Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20:37:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors 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: ./Sb2Au.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 74 29 8 4077 1005 152 Max 75 30 9 4081 1023 159 Sum 5369 2101 593 293627 72935 11067 bravais-lattice index = 14 lattice parameter (alat) = 12.5824 a.u. unit-cell volume = 1991.9874 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 84.00 number of Kohn-Sham states= 100 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.582363 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Sb 5.00 121.76000 Sb( 1.00) Au 11.00 196.96660 Au( 1.00) 24 Sym. Ops., with inversion, found (18 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 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 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 = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 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 = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(16) = ( -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 = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(18) = ( 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 = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(19) = ( 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 = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) cart. s(20) = ( -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 = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(22) = ( 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 = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(23) = ( 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 = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(24) = ( -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_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -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 i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 187 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048780 0.3048780), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441176), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441177), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 Dense grid: 293627 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 72935 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 264, 100) NL pseudopotentials 0.82 Mb ( 132, 408) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 4078) G-vector shells 0.01 Mb ( 1006) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.61 Mb ( 264, 400) Each subspace H/S matrix 0.07 Mb ( 66, 66) Each matrix 1.25 Mb ( 408, 2, 100) The potential is recalculated from file : ./Sb2Au.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 total cpu time spent up to now is 11.0 secs Computing kpt #: 4 total cpu time spent up to now is 13.7 secs Computing kpt #: 5 total cpu time spent up to now is 16.4 secs Computing kpt #: 6 total cpu time spent up to now is 19.1 secs Computing kpt #: 7 total cpu time spent up to now is 21.8 secs Computing kpt #: 8 total cpu time spent up to now is 24.5 secs Computing kpt #: 9 total cpu time spent up to now is 27.3 secs Computing kpt #: 10 total cpu time spent up to now is 30.0 secs Computing kpt #: 11 total cpu time spent up to now is 32.7 secs Computing kpt #: 12 total cpu time spent up to now is 35.3 secs Computing kpt #: 13 total cpu time spent up to now is 38.0 secs Computing kpt #: 14 total cpu time spent up to now is 40.6 secs Computing kpt #: 15 total cpu time spent up to now is 43.2 secs Computing kpt #: 16 total cpu time spent up to now is 45.7 secs Computing kpt #: 17 total cpu time spent up to now is 48.2 secs Computing kpt #: 18 total cpu time spent up to now is 50.8 secs Computing kpt #: 19 total cpu time spent up to now is 53.3 secs Computing kpt #: 20 total cpu time spent up to now is 55.8 secs Computing kpt #: 21 total cpu time spent up to now is 58.4 secs Computing kpt #: 22 total cpu time spent up to now is 61.0 secs Computing kpt #: 23 total cpu time spent up to now is 63.5 secs Computing kpt #: 24 total cpu time spent up to now is 66.1 secs Computing kpt #: 25 total cpu time spent up to now is 68.6 secs Computing kpt #: 26 total cpu time spent up to now is 71.2 secs Computing kpt #: 27 total cpu time spent up to now is 73.8 secs Computing kpt #: 28 total cpu time spent up to now is 76.3 secs Computing kpt #: 29 total cpu time spent up to now is 78.9 secs Computing kpt #: 30 total cpu time spent up to now is 81.2 secs Computing kpt #: 31 total cpu time spent up to now is 83.5 secs Computing kpt #: 32 total cpu time spent up to now is 85.7 secs Computing kpt #: 33 total cpu time spent up to now is 88.0 secs Computing kpt #: 34 total cpu time spent up to now is 90.2 secs Computing kpt #: 35 total cpu time spent up to now is 92.5 secs Computing kpt #: 36 total cpu time spent up to now is 94.8 secs Computing kpt #: 37 total cpu time spent up to now is 97.1 secs Computing kpt #: 38 total cpu time spent up to now is 99.4 secs Computing kpt #: 39 total cpu time spent up to now is 101.7 secs Computing kpt #: 40 total cpu time spent up to now is 104.0 secs Computing kpt #: 41 total cpu time spent up to now is 106.3 secs Computing kpt #: 42 total cpu time spent up to now is 108.9 secs Computing kpt #: 43 total cpu time spent up to now is 111.2 secs Computing kpt #: 44 total cpu time spent up to now is 113.8 secs Computing kpt #: 45 total cpu time spent up to now is 116.3 secs Computing kpt #: 46 total cpu time spent up to now is 118.8 secs Computing kpt #: 47 total cpu time spent up to now is 121.4 secs Computing kpt #: 48 total cpu time spent up to now is 124.5 secs Computing kpt #: 49 total cpu time spent up to now is 127.1 secs Computing kpt #: 50 total cpu time spent up to now is 129.7 secs Computing kpt #: 51 total cpu time spent up to now is 132.4 secs Computing kpt #: 52 total cpu time spent up to now is 135.1 secs Computing kpt #: 53 total cpu time spent up to now is 137.7 secs Computing kpt #: 54 total cpu time spent up to now is 140.4 secs Computing kpt #: 55 total cpu time spent up to now is 143.1 secs Computing kpt #: 56 total cpu time spent up to now is 145.7 secs Computing kpt #: 57 total cpu time spent up to now is 148.4 secs Computing kpt #: 58 total cpu time spent up to now is 151.0 secs Computing kpt #: 59 total cpu time spent up to now is 153.6 secs Computing kpt #: 60 total cpu time spent up to now is 156.2 secs Computing kpt #: 61 total cpu time spent up to now is 159.1 secs Computing kpt #: 62 total cpu time spent up to now is 161.7 secs Computing kpt #: 63 total cpu time spent up to now is 164.0 secs Computing kpt #: 64 total cpu time spent up to now is 166.7 secs Computing kpt #: 65 total cpu time spent up to now is 169.0 secs Computing kpt #: 66 total cpu time spent up to now is 171.5 secs Computing kpt #: 67 total cpu time spent up to now is 174.1 secs Computing kpt #: 68 total cpu time spent up to now is 176.7 secs Computing kpt #: 69 total cpu time spent up to now is 179.2 secs Computing kpt #: 70 total cpu time spent up to now is 181.8 secs Computing kpt #: 71 total cpu time spent up to now is 184.5 secs Computing kpt #: 72 total cpu time spent up to now is 187.1 secs Computing kpt #: 73 total cpu time spent up to now is 189.7 secs Computing kpt #: 74 total cpu time spent up to now is 192.3 secs Computing kpt #: 75 total cpu time spent up to now is 194.8 secs Computing kpt #: 76 total cpu time spent up to now is 197.4 secs Computing kpt #: 77 total cpu time spent up to now is 199.9 secs Computing kpt #: 78 total cpu time spent up to now is 202.5 secs Computing kpt #: 79 total cpu time spent up to now is 205.1 secs Computing kpt #: 80 total cpu time spent up to now is 207.8 secs Computing kpt #: 81 total cpu time spent up to now is 210.4 secs Computing kpt #: 82 total cpu time spent up to now is 213.1 secs Computing kpt #: 83 total cpu time spent up to now is 215.7 secs Computing kpt #: 84 total cpu time spent up to now is 220.0 secs Computing kpt #: 85 total cpu time spent up to now is 222.6 secs Computing kpt #: 86 total cpu time spent up to now is 225.4 secs Computing kpt #: 87 total cpu time spent up to now is 228.1 secs Computing kpt #: 88 total cpu time spent up to now is 230.7 secs Computing kpt #: 89 total cpu time spent up to now is 233.3 secs Computing kpt #: 90 total cpu time spent up to now is 235.8 secs Computing kpt #: 91 total cpu time spent up to now is 238.3 secs Computing kpt #: 92 total cpu time spent up to now is 240.8 secs Computing kpt #: 93 total cpu time spent up to now is 243.3 secs Computing kpt #: 94 total cpu time spent up to now is 245.7 secs Computing kpt #: 95 total cpu time spent up to now is 248.2 secs Computing kpt #: 96 total cpu time spent up to now is 250.7 secs Computing kpt #: 97 total cpu time spent up to now is 253.2 secs Computing kpt #: 98 total cpu time spent up to now is 255.7 secs Computing kpt #: 99 total cpu time spent up to now is 258.3 secs Computing kpt #: 100 total cpu time spent up to now is 260.8 secs Computing kpt #: 101 total cpu time spent up to now is 263.3 secs Computing kpt #: 102 total cpu time spent up to now is 266.2 secs Computing kpt #: 103 total cpu time spent up to now is 268.7 secs Computing kpt #: 104 total cpu time spent up to now is 271.0 secs Computing kpt #: 105 total cpu time spent up to now is 273.3 secs Computing kpt #: 106 total cpu time spent up to now is 275.6 secs Computing kpt #: 107 total cpu time spent up to now is 277.9 secs Computing kpt #: 108 total cpu time spent up to now is 280.2 secs Computing kpt #: 109 total cpu time spent up to now is 282.6 secs Computing kpt #: 110 total cpu time spent up to now is 285.1 secs Computing kpt #: 111 total cpu time spent up to now is 287.7 secs Computing kpt #: 112 total cpu time spent up to now is 290.2 secs Computing kpt #: 113 total cpu time spent up to now is 292.7 secs Computing kpt #: 114 total cpu time spent up to now is 295.3 secs Computing kpt #: 115 total cpu time spent up to now is 298.0 secs Computing kpt #: 116 total cpu time spent up to now is 300.6 secs Computing kpt #: 117 total cpu time spent up to now is 303.1 secs Computing kpt #: 118 total cpu time spent up to now is 305.6 secs Computing kpt #: 119 total cpu time spent up to now is 308.2 secs Computing kpt #: 120 total cpu time spent up to now is 310.8 secs Computing kpt #: 121 total cpu time spent up to now is 313.4 secs Computing kpt #: 122 total cpu time spent up to now is 316.1 secs Computing kpt #: 123 total cpu time spent up to now is 318.7 secs Computing kpt #: 124 total cpu time spent up to now is 321.4 secs Computing kpt #: 125 total cpu time spent up to now is 324.0 secs Computing kpt #: 126 total cpu time spent up to now is 326.7 secs Computing kpt #: 127 total cpu time spent up to now is 329.1 secs Computing kpt #: 128 total cpu time spent up to now is 331.5 secs Computing kpt #: 129 total cpu time spent up to now is 334.1 secs Computing kpt #: 130 total cpu time spent up to now is 336.8 secs Computing kpt #: 131 total cpu time spent up to now is 339.4 secs Computing kpt #: 132 total cpu time spent up to now is 341.9 secs Computing kpt #: 133 total cpu time spent up to now is 344.4 secs Computing kpt #: 134 total cpu time spent up to now is 346.9 secs Computing kpt #: 135 total cpu time spent up to now is 349.4 secs Computing kpt #: 136 total cpu time spent up to now is 352.0 secs Computing kpt #: 137 total cpu time spent up to now is 354.5 secs Computing kpt #: 138 total cpu time spent up to now is 357.0 secs Computing kpt #: 139 total cpu time spent up to now is 359.6 secs Computing kpt #: 140 total cpu time spent up to now is 362.1 secs Computing kpt #: 141 total cpu time spent up to now is 364.7 secs Computing kpt #: 142 total cpu time spent up to now is 367.2 secs Computing kpt #: 143 total cpu time spent up to now is 369.8 secs Computing kpt #: 144 total cpu time spent up to now is 372.4 secs Computing kpt #: 145 total cpu time spent up to now is 375.0 secs Computing kpt #: 146 total cpu time spent up to now is 377.5 secs Computing kpt #: 147 total cpu time spent up to now is 380.1 secs Computing kpt #: 148 total cpu time spent up to now is 382.7 secs Computing kpt #: 149 total cpu time spent up to now is 385.2 secs Computing kpt #: 150 total cpu time spent up to now is 387.8 secs Computing kpt #: 151 total cpu time spent up to now is 390.3 secs Computing kpt #: 152 total cpu time spent up to now is 392.9 secs Computing kpt #: 153 total cpu time spent up to now is 395.4 secs Computing kpt #: 154 total cpu time spent up to now is 397.8 secs Computing kpt #: 155 total cpu time spent up to now is 400.1 secs Computing kpt #: 156 total cpu time spent up to now is 402.4 secs Computing kpt #: 157 total cpu time spent up to now is 405.0 secs Computing kpt #: 158 total cpu time spent up to now is 407.6 secs Computing kpt #: 159 total cpu time spent up to now is 410.1 secs Computing kpt #: 160 total cpu time spent up to now is 412.7 secs Computing kpt #: 161 total cpu time spent up to now is 415.3 secs Computing kpt #: 162 total cpu time spent up to now is 417.9 secs Computing kpt #: 163 total cpu time spent up to now is 420.5 secs Computing kpt #: 164 total cpu time spent up to now is 423.5 secs Computing kpt #: 165 total cpu time spent up to now is 426.3 secs Computing kpt #: 166 total cpu time spent up to now is 429.1 secs Computing kpt #: 167 total cpu time spent up to now is 432.0 secs Computing kpt #: 168 total cpu time spent up to now is 434.8 secs Computing kpt #: 169 total cpu time spent up to now is 437.7 secs Computing kpt #: 170 total cpu time spent up to now is 440.6 secs Computing kpt #: 171 total cpu time spent up to now is 443.4 secs Computing kpt #: 172 total cpu time spent up to now is 446.1 secs Computing kpt #: 173 total cpu time spent up to now is 448.9 secs Computing kpt #: 174 total cpu time spent up to now is 451.6 secs Computing kpt #: 175 total cpu time spent up to now is 454.3 secs Computing kpt #: 176 total cpu time spent up to now is 457.1 secs Computing kpt #: 177 total cpu time spent up to now is 460.0 secs Computing kpt #: 178 total cpu time spent up to now is 462.7 secs Computing kpt #: 179 total cpu time spent up to now is 465.5 secs Computing kpt #: 180 total cpu time spent up to now is 468.3 secs Computing kpt #: 181 total cpu time spent up to now is 471.0 secs Computing kpt #: 182 total cpu time spent up to now is 473.6 secs Computing kpt #: 183 total cpu time spent up to now is 476.2 secs Computing kpt #: 184 total cpu time spent up to now is 478.8 secs Computing kpt #: 185 total cpu time spent up to now is 481.4 secs Computing kpt #: 186 total cpu time spent up to now is 484.0 secs Computing kpt #: 187 total cpu time spent up to now is 486.8 secs ethr = 1.19E-08, avg # of iterations = 24.5 total cpu time spent up to now is 486.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -3.0178 -3.0178 -1.0827 -1.0827 -1.0827 -1.0827 -1.0724 -1.0724 0.3505 0.3505 0.4114 0.4114 0.4114 0.4114 1.7310 1.7310 2.6457 2.6457 2.6457 2.6457 2.8215 2.8215 2.8215 2.8215 2.9413 2.9413 3.2877 3.2877 3.2920 3.2920 3.2920 3.2920 3.5632 3.5632 3.9264 3.9264 3.9682 3.9682 3.9682 3.9682 4.2727 4.2727 4.2727 4.2727 4.5538 4.5538 4.5538 4.5538 4.6993 4.6993 4.7782 4.7782 4.7782 4.7782 5.0295 5.0295 5.3491 5.3491 5.3742 5.3742 5.3742 5.3742 5.7358 5.7358 5.7927 5.7927 5.7927 5.7927 5.9880 5.9880 5.9880 5.9880 7.0935 7.0935 8.0356 8.0356 8.0356 8.0356 8.0359 8.0359 8.1344 8.1344 8.6093 8.6093 8.6093 8.6093 10.2301 10.2301 11.3187 11.3187 11.3187 11.3187 11.5247 11.5247 12.4398 12.4399 12.7075 12.7075 12.7653 12.7653 k = 0.0000 0.0208-0.0000 ( 9093 PWs) bands (ev): -3.0164 -3.0164 -1.0848 -1.0848 -1.0818 -1.0818 -1.0726 -1.0726 0.3502 0.3502 0.4106 0.4106 0.4113 0.4113 1.7250 1.7250 2.6465 2.6465 2.6486 2.6486 2.8219 2.8219 2.8236 2.8236 2.9426 2.9426 3.2883 3.2883 3.2922 3.2922 3.2938 3.2938 3.5647 3.5647 3.9255 3.9255 3.9674 3.9674 3.9677 3.9677 4.2692 4.2692 4.2716 4.2716 4.5525 4.5525 4.5536 4.5536 4.6964 4.6964 4.7773 4.7773 4.7780 4.7780 5.0271 5.0271 5.3460 5.3460 5.3714 5.3714 5.3764 5.3764 5.7285 5.7285 5.7803 5.7803 5.8026 5.8026 5.9889 5.9889 6.0214 6.0214 7.0838 7.0838 8.0151 8.0151 8.0391 8.0391 8.0581 8.0581 8.1377 8.1377 8.6070 8.6070 8.6165 8.6165 10.2273 10.2273 11.3215 11.3215 11.3242 11.3242 11.5282 11.5282 12.4166 12.4166 12.6895 12.6895 12.7553 12.7553 k = 0.0000 0.0417-0.0000 ( 9090 PWs) bands (ev): -3.0121 -3.0121 -1.0929 -1.0929 -1.0793 -1.0793 -1.0713 -1.0713 0.3492 0.3492 0.4084 0.4084 0.4109 0.4109 1.7073 1.7073 2.6487 2.6487 2.6567 2.6567 2.8230 2.8230 2.8295 2.8295 2.9466 2.9466 3.2894 3.2894 3.2929 3.2929 3.3000 3.3000 3.5691 3.5691 3.9225 3.9225 3.9651 3.9651 3.9660 3.9660 4.2588 4.2588 4.2683 4.2683 4.5488 4.5488 4.5528 4.5528 4.6882 4.6882 4.7747 4.7747 4.7775 4.7775 5.0205 5.0205 5.3357 5.3357 5.3649 5.3649 5.3843 5.3843 5.6848 5.6848 5.7830 5.7830 5.8372 5.8372 5.9922 5.9922 6.0950 6.0950 7.0559 7.0559 7.9935 7.9935 8.0495 8.0495 8.0829 8.0829 8.1481 8.1481 8.6007 8.6007 8.6380 8.6380 10.2192 10.2192 11.3299 11.3299 11.3405 11.3405 11.5387 11.5387 12.3416 12.3416 12.6510 12.6510 12.7365 12.7365 k = 0.0000 0.0625-0.0000 ( 9098 PWs) bands (ev): -3.0050 -3.0050 -1.1080 -1.1080 -1.0751 -1.0751 -1.0677 -1.0677 0.3475 0.3475 0.4051 0.4051 0.4103 0.4103 1.6789 1.6789 2.6522 2.6522 2.6692 2.6692 2.8248 2.8248 2.8388 2.8388 2.9531 2.9531 3.2904 3.2904 3.2943 3.2943 3.3111 3.3111 3.5764 3.5764 3.9169 3.9169 3.9617 3.9617 3.9634 3.9634 4.2419 4.2419 4.2629 4.2629 4.5427 4.5427 4.5515 4.5515 4.6765 4.6765 4.7704 4.7704 4.7767 4.7767 5.0104 5.0104 5.3203 5.3203 5.3568 5.3568 5.3977 5.3977 5.6263 5.6263 5.7969 5.7969 5.8944 5.8944 5.9992 5.9992 6.1847 6.1847 7.0132 7.0132 7.9690 7.9690 8.0665 8.0665 8.1090 8.1090 8.1655 8.1655 8.5913 8.5913 8.6727 8.6727 10.2067 10.2067 11.3434 11.3434 11.3665 11.3665 11.5560 11.5560 12.2162 12.2162 12.6124 12.6124 12.7190 12.7190 k = 0.0000 0.0833-0.0000 ( 9118 PWs) bands (ev): -2.9950 -2.9950 -1.1295 -1.1295 -1.0693 -1.0693 -1.0621 -1.0621 0.3451 0.3451 0.4009 0.4009 0.4095 0.4095 1.6413 1.6413 2.6568 2.6568 2.6845 2.6845 2.8273 2.8273 2.8510 2.8510 2.9619 2.9619 3.2912 3.2912 3.2964 3.2964 3.3268 3.3268 3.5863 3.5863 3.9077 3.9077 3.9579 3.9579 3.9599 3.9599 4.2199 4.2199 4.2555 4.2555 4.5342 4.5342 4.5497 4.5497 4.6633 4.6633 4.7645 4.7645 4.7758 4.7758 4.9981 4.9981 5.3036 5.3036 5.3476 5.3476 5.4138 5.4138 5.5704 5.5704 5.8147 5.8147 5.9564 5.9564 6.0195 6.0195 6.2828 6.2828 6.9601 6.9601 7.9406 7.9406 8.0890 8.0890 8.1344 8.1344 8.1896 8.1896 8.5806 8.5806 8.7190 8.7190 10.1908 10.1908 11.3612 11.3612 11.4007 11.4007 11.5796 11.5796 12.0575 12.0575 12.5747 12.5747 12.7055 12.7055 k = 0.0000 0.1042-0.0000 ( 9146 PWs) bands (ev): -2.9822 -2.9822 -1.1569 -1.1569 -1.0621 -1.0621 -1.0547 -1.0547 0.3419 0.3419 0.3965 0.3965 0.4086 0.4086 1.5959 1.5959 2.6623 2.6623 2.7012 2.7012 2.8306 2.8306 2.8653 2.8653 2.9727 2.9727 3.2920 3.2920 3.2992 3.2992 3.3471 3.3471 3.5987 3.5987 3.8936 3.8936 3.9534 3.9534 3.9566 3.9566 4.1944 4.1944 4.2461 4.2461 4.5231 4.5231 4.5473 4.5473 4.6510 4.6510 4.7572 4.7572 4.7750 4.7750 4.9847 4.9847 5.2875 5.2875 5.3381 5.3381 5.4245 5.4245 5.5276 5.5276 5.8354 5.8354 5.9882 5.9882 6.0818 6.0818 6.3868 6.3868 6.9007 6.9007 7.9090 7.9090 8.1137 8.1137 8.1575 8.1575 8.2204 8.2204 8.5710 8.5710 8.7744 8.7744 10.1731 10.1731 11.3825 11.3825 11.4412 11.4412 11.6092 11.6092 11.8832 11.8832 12.5320 12.5320 12.6965 12.6965 k = 0.0000 0.1250-0.0000 ( 9146 PWs) bands (ev): -2.9665 -2.9665 -1.1899 -1.1899 -1.0535 -1.0535 -1.0457 -1.0457 0.3382 0.3382 0.3920 0.3920 0.4074 0.4074 1.5443 1.5443 2.6684 2.6684 2.7177 2.7177 2.8346 2.8346 2.8812 2.8812 2.9847 2.9847 3.2929 3.2929 3.3025 3.3025 3.3712 3.3712 3.6129 3.6129 3.8740 3.8740 3.9479 3.9479 3.9549 3.9549 4.1678 4.1678 4.2352 4.2352 4.5095 4.5095 4.5444 4.5444 4.6411 4.6411 4.7485 4.7485 4.7743 4.7743 4.9713 4.9713 5.2726 5.2726 5.3288 5.3288 5.4117 5.4117 5.5159 5.5159 5.8583 5.8583 6.0020 6.0020 6.1697 6.1697 6.4948 6.4948 6.8391 6.8391 7.8754 7.8754 8.1308 8.1308 8.1834 8.1834 8.2587 8.2587 8.5652 8.5652 8.8352 8.8352 10.1550 10.1550 11.4059 11.4059 11.4845 11.4845 11.6430 11.6430 11.7072 11.7072 12.4816 12.4816 12.6910 12.6910 k = 0.0000 0.1458-0.0000 ( 9138 PWs) bands (ev): -2.9481 -2.9481 -1.2282 -1.2282 -1.0436 -1.0436 -1.0351 -1.0351 0.3341 0.3341 0.3879 0.3879 0.4062 0.4062 1.4879 1.4879 2.6751 2.6751 2.7331 2.7331 2.8394 2.8394 2.8981 2.8981 2.9974 2.9974 3.2940 3.2940 3.3061 3.3061 3.3982 3.3982 3.6284 3.6284 3.8489 3.8489 3.9412 3.9412 3.9549 3.9549 4.1426 4.1426 4.2231 4.2231 4.4934 4.4934 4.5412 4.5412 4.6344 4.6344 4.7388 4.7388 4.7742 4.7742 4.9583 4.9583 5.2591 5.2591 5.3203 5.3203 5.3774 5.3774 5.5327 5.5327 5.8830 5.8830 6.0140 6.0140 6.2632 6.2632 6.6040 6.6040 6.7804 6.7804 7.8413 7.8413 8.1292 8.1292 8.2194 8.2194 8.3046 8.3046 8.5656 8.5656 8.8968 8.8968 10.1378 10.1378 11.4296 11.4296 11.4921 11.4921 11.5696 11.5696 11.6848 11.6848 12.4231 12.4231 12.6859 12.6859 k = 0.0000 0.1667-0.0000 ( 9154 PWs) bands (ev): -2.9268 -2.9268 -1.2713 -1.2713 -1.0326 -1.0326 -1.0231 -1.0231 0.3298 0.3298 0.3843 0.3843 0.4049 0.4049 1.4278 1.4278 2.6823 2.6823 2.7467 2.7467 2.8448 2.8448 2.9157 2.9157 3.0100 3.0100 3.2952 3.2952 3.3099 3.3099 3.4263 3.4263 3.6437 3.6437 3.8197 3.8197 3.9337 3.9337 3.9563 3.9563 4.1210 4.1210 4.2108 4.2108 4.4753 4.4753 4.5378 4.5378 4.6305 4.6305 4.7284 4.7284 4.7747 4.7747 4.9463 4.9463 5.2468 5.2468 5.3131 5.3131 5.3393 5.3393 5.5595 5.5595 5.9087 5.9087 6.0276 6.0276 6.3558 6.3558 6.6828 6.6828 6.7584 6.7584 7.8086 7.8086 8.1104 8.1104 8.2633 8.2633 8.3577 8.3577 8.5735 8.5735 8.9537 8.9537 10.1229 10.1229 11.3461 11.3461 11.4520 11.4520 11.5986 11.5986 11.7274 11.7274 12.3572 12.3572 12.6746 12.6746 k = 0.0000 0.1875-0.0000 ( 9138 PWs) bands (ev): -2.9029 -2.9029 -1.3188 -1.3188 -1.0206 -1.0206 -1.0099 -1.0099 0.3257 0.3257 0.3811 0.3811 0.4035 0.4035 1.3651 1.3651 2.6899 2.6899 2.7585 2.7585 2.8508 2.8508 2.9333 2.9333 3.0218 3.0218 3.2967 3.2967 3.3137 3.3137 3.4529 3.4529 3.6560 3.6560 3.7906 3.7906 3.9255 3.9255 3.9582 3.9582 4.1042 4.1042 4.1996 4.1996 4.4559 4.4559 4.5347 4.5347 4.6286 4.6286 4.7178 4.7178 4.7763 4.7763 4.9354 4.9354 5.2357 5.2357 5.3032 5.3032 5.3075 5.3075 5.5891 5.5891 5.9346 5.9346 6.0441 6.0441 6.4414 6.4414 6.6533 6.6533 6.8544 6.8544 7.7795 7.7795 8.0787 8.0787 8.3112 8.3112 8.4177 8.4177 8.5892 8.5892 8.9996 8.9996 10.1115 10.1115 11.1946 11.1946 11.4700 11.4700 11.6486 11.6486 11.7721 11.7721 12.2853 12.2853 12.6486 12.6486 k = 0.0000 0.2083-0.0000 ( 9130 PWs) bands (ev): -2.8761 -2.8761 -1.3702 -1.3702 -1.0076 -1.0076 -0.9955 -0.9955 0.3222 0.3222 0.3786 0.3786 0.4020 0.4020 1.3007 1.3007 2.6978 2.6978 2.7687 2.7687 2.8575 2.8575 2.9505 2.9505 3.0327 3.0327 3.2984 3.2984 3.3173 3.3173 3.4754 3.4754 3.6582 3.6582 3.7697 3.7697 3.9168 3.9168 3.9591 3.9591 4.0927 4.0927 4.1917 4.1917 4.4360 4.4360 4.5321 4.5321 4.6272 4.6272 4.7079 4.7079 4.7791 4.7791 4.9259 4.9259 5.2257 5.2257 5.2714 5.2714 5.3036 5.3036 5.6187 5.6187 5.9594 5.9594 6.0650 6.0650 6.5068 6.5068 6.6228 6.6228 6.9718 6.9718 7.7560 7.7560 8.0380 8.0380 8.3606 8.3606 8.4839 8.4839 8.6124 8.6124 9.0279 9.0279 10.1047 10.1047 11.0617 11.0617 11.4810 11.4810 11.7000 11.7000 11.8165 11.8165 12.2094 12.2094 12.6079 12.6079 k = 0.0000 0.2292-0.0000 ( 9134 PWs) bands (ev): -2.8467 -2.8467 -1.4250 -1.4250 -0.9938 -0.9938 -0.9803 -0.9803 0.3193 0.3193 0.3767 0.3767 0.4005 0.4005 1.2353 1.2353 2.7059 2.7059 2.7774 2.7774 2.8648 2.8648 2.9670 2.9670 3.0422 3.0422 3.3005 3.3005 3.3202 3.3202 3.4917 3.4917 3.6432 3.6432 3.7658 3.7658 3.9077 3.9077 3.9576 3.9576 4.0857 4.0857 4.1900 4.1900 4.4162 4.4162 4.5303 4.5303 4.6247 4.6247 4.6995 4.6995 4.7833 4.7833 4.9177 4.9177 5.2161 5.2161 5.2442 5.2442 5.3023 5.3023 5.6467 5.6467 5.9820 5.9820 6.0918 6.0918 6.5201 6.5201 6.6387 6.6387 7.0918 7.0918 7.7397 7.7397 7.9922 7.9922 8.4096 8.4096 8.5554 8.5554 8.6433 8.6433 9.0325 9.0325 10.1034 10.1034 10.9531 10.9531 11.4818 11.4818 11.7506 11.7506 11.8578 11.8578 12.1327 12.1327 12.5571 12.5571 k = 0.0000 0.2500-0.0000 ( 9134 PWs) bands (ev): -2.8146 -2.8146 -1.4827 -1.4827 -0.9795 -0.9795 -0.9646 -0.9646 0.3174 0.3174 0.3755 0.3755 0.3990 0.3990 1.1696 1.1696 2.7141 2.7141 2.7851 2.7851 2.8726 2.8726 2.9825 2.9825 3.0502 3.0502 3.3028 3.3028 3.3221 3.3221 3.5005 3.5005 3.6162 3.6162 3.7740 3.7740 3.8980 3.8980 3.9531 3.9531 4.0814 4.0814 4.1974 4.1974 4.3970 4.3970 4.5299 4.5299 4.6196 4.6196 4.6936 4.6936 4.7892 4.7892 4.9108 4.9108 5.2045 5.2045 5.2237 5.2237 5.3043 5.3043 5.6717 5.6717 6.0014 6.0014 6.1255 6.1255 6.5014 6.5014 6.6809 6.6809 7.2118 7.2118 7.7298 7.7298 7.9468 7.9468 8.4569 8.4569 8.6278 8.6278 8.6844 8.6844 9.0102 9.0102 10.1086 10.1086 10.8713 10.8713 11.4692 11.4692 11.7980 11.7980 11.8924 11.8924 12.0604 12.0604 12.5002 12.5002 k = 0.0000 0.2708-0.0000 ( 9146 PWs) bands (ev): -2.7799 -2.7799 -1.5428 -1.5428 -0.9646 -0.9646 -0.9485 -0.9485 0.3164 0.3164 0.3751 0.3751 0.3975 0.3975 1.1041 1.1041 2.7224 2.7224 2.7919 2.7919 2.8810 2.8810 2.9969 2.9969 3.0568 3.0568 3.3050 3.3050 3.3225 3.3225 3.5013 3.5013 3.5877 3.5877 3.7839 3.7839 3.8878 3.8878 3.9463 3.9463 4.0792 4.0792 4.2138 4.2138 4.3787 4.3787 4.5311 4.5311 4.6112 4.6112 4.6904 4.6904 4.7965 4.7965 4.9054 4.9054 5.1889 5.1889 5.2114 5.2114 5.3103 5.3103 5.6926 5.6926 6.0179 6.0179 6.1663 6.1663 6.4850 6.4850 6.7144 6.7144 7.3294 7.3294 7.7203 7.7203 7.9113 7.9113 8.5010 8.5010 8.6855 8.6855 8.7468 8.7468 8.9640 8.9640 10.1207 10.1207 10.8143 10.8143 11.4407 11.4407 11.8356 11.8356 11.9164 11.9164 12.0031 12.0031 12.4401 12.4401 k = 0.0000 0.2917-0.0000 ( 9142 PWs) bands (ev): -2.7425 -2.7425 -1.6048 -1.6048 -0.9496 -0.9496 -0.9324 -0.9324 0.3165 0.3165 0.3757 0.3757 0.3960 0.3960 1.0395 1.0395 2.7307 2.7307 2.7980 2.7980 2.8901 2.8901 3.0102 3.0102 3.0617 3.0617 3.3055 3.3055 3.3220 3.3220 3.4950 3.4950 3.5640 3.5640 3.7892 3.7892 3.8770 3.8770 3.9385 3.9385 4.0802 4.0802 4.2366 4.2366 4.3618 4.3618 4.5345 4.5345 4.5998 4.5998 4.6891 4.6891 4.8049 4.8049 4.9013 4.9013 5.1725 5.1725 5.2031 5.2031 5.3211 5.3211 5.7081 5.7081 6.0330 6.0330 6.2140 6.2140 6.4791 6.4791 6.7319 6.7319 7.4410 7.4410 7.7004 7.7004 7.8991 7.8991 8.5381 8.5381 8.7165 8.7165 8.8303 8.8303 8.9122 8.9122 10.1402 10.1402 10.7750 10.7750 11.3948 11.3948 11.8417 11.8417 11.9368 11.9368 11.9768 11.9768 12.3790 12.3790 k = 0.0000 0.3125-0.0000 ( 9134 PWs) bands (ev): -2.7027 -2.7027 -1.6682 -1.6682 -0.9345 -0.9345 -0.9166 -0.9166 0.3176 0.3176 0.3771 0.3771 0.3949 0.3949 0.9762 0.9762 2.7389 2.7389 2.8034 2.8034 2.8997 2.8997 3.0222 3.0222 3.0651 3.0651 3.2999 3.2999 3.3235 3.3235 3.4852 3.4852 3.5464 3.5464 3.7869 3.7869 3.8661 3.8661 3.9300 3.9300 4.0858 4.0858 4.2618 4.2618 4.3466 4.3466 4.5402 4.5402 4.5866 4.5866 4.6888 4.6888 4.8138 4.8138 4.8984 4.8984 5.1580 5.1580 5.1957 5.1957 5.3369 5.3369 5.7171 5.7171 6.0487 6.0487 6.2686 6.2686 6.4853 6.4853 6.7338 6.7338 7.5326 7.5326 7.6757 7.6757 7.9144 7.9144 8.5493 8.5493 8.7151 8.7151 8.8859 8.8859 8.9332 8.9332 10.1670 10.1670 10.7431 10.7431 11.3318 11.3318 11.8153 11.8153 11.9608 11.9608 11.9770 11.9770 12.3178 12.3178 k = 0.0000 0.3333-0.0000 ( 9130 PWs) bands (ev): -2.6604 -2.6604 -1.7326 -1.7326 -0.9196 -0.9196 -0.9015 -0.9015 0.3197 0.3197 0.3789 0.3789 0.3949 0.3949 0.9145 0.9145 2.7470 2.7470 2.8080 2.8080 2.9100 2.9100 3.0330 3.0330 3.0670 3.0670 3.2866 3.2866 3.3282 3.3282 3.4767 3.4767 3.5329 3.5329 3.7765 3.7765 3.8564 3.8564 3.9207 3.9207 4.0961 4.0961 4.2846 4.2846 4.3350 4.3350 4.5481 4.5481 4.5725 4.5725 4.6885 4.6885 4.8227 4.8227 4.8967 4.8967 5.1458 5.1458 5.1882 5.1882 5.3576 5.3576 5.7190 5.7190 6.0668 6.0668 6.3301 6.3301 6.5026 6.5026 6.7236 6.7236 7.5468 7.5468 7.7081 7.7081 7.9467 7.9467 8.4903 8.4903 8.7244 8.7244 8.9165 8.9165 9.0321 9.0321 10.2006 10.2006 10.7075 10.7075 11.2536 11.2536 11.7879 11.7879 11.9536 11.9536 12.0081 12.0081 12.2576 12.2576 k = 0.0000 0.3542-0.0000 ( 9126 PWs) bands (ev): -2.6156 -2.6156 -1.7976 -1.7976 -0.9052 -0.9052 -0.8874 -0.8874 0.3226 0.3226 0.3797 0.3797 0.3976 0.3976 0.8550 0.8550 2.7549 2.7549 2.8116 2.8116 2.9210 2.9210 3.0420 3.0420 3.0680 3.0680 3.2677 3.2677 3.3351 3.3351 3.4718 3.4718 3.5219 3.5219 3.7591 3.7591 3.8487 3.8487 3.9107 3.9107 4.1099 4.1099 4.2959 4.2959 4.3342 4.3342 4.5515 4.5515 4.5648 4.5648 4.6878 4.6878 4.8312 4.8312 4.8958 4.8958 5.1359 5.1359 5.1804 5.1804 5.3822 5.3822 5.7142 5.7142 6.0891 6.0891 6.3989 6.3989 6.5271 6.5271 6.7074 6.7074 7.4955 7.4955 7.7904 7.7904 7.9837 7.9837 8.3736 8.3736 8.7677 8.7677 8.9636 8.9636 9.1383 9.1383 10.2398 10.2398 10.6596 10.6596 11.1640 11.1640 11.7683 11.7683 11.9407 11.9407 12.0332 12.0332 12.2032 12.2032 k = 0.0000 0.3750-0.0000 ( 9118 PWs) bands (ev): -2.5686 -2.5686 -1.8629 -1.8629 -0.8916 -0.8916 -0.8746 -0.8746 0.3264 0.3264 0.3787 0.3787 0.4042 0.4042 0.7981 0.7981 2.7628 2.7628 2.8143 2.8143 2.9325 2.9325 3.0478 3.0478 3.0698 3.0698 3.2457 3.2457 3.3435 3.3435 3.4696 3.4696 3.5139 3.5139 3.7370 3.7370 3.8431 3.8431 3.9002 3.9002 4.1258 4.1258 4.2906 4.2906 4.3479 4.3479 4.5381 4.5381 4.5754 4.5754 4.6864 4.6864 4.8391 4.8391 4.8953 4.8953 5.1283 5.1283 5.1722 5.1722 5.4097 5.4097 5.7034 5.7034 6.1159 6.1159 6.4739 6.4739 6.5503 6.5503 6.6970 6.6970 7.4294 7.4294 7.8735 7.8735 8.0124 8.0124 8.2405 8.2405 8.8267 8.8267 9.0162 9.0162 9.2488 9.2488 10.2829 10.2829 10.5961 10.5961 11.0671 11.0671 11.7490 11.7490 11.9374 11.9374 12.0288 12.0288 12.1713 12.1713 k = 0.0000 0.3958-0.0000 ( 9114 PWs) bands (ev): -2.5192 -2.5192 -1.9280 -1.9280 -0.8791 -0.8791 -0.8635 -0.8635 0.3307 0.3307 0.3764 0.3764 0.4149 0.4149 0.7440 0.7440 2.7704 2.7704 2.8157 2.8157 2.9445 2.9445 3.0483 3.0483 3.0747 3.0747 3.2227 3.2227 3.3530 3.3530 3.4662 3.4662 3.5116 3.5116 3.7119 3.7119 3.8394 3.8394 3.8895 3.8895 4.1425 4.1425 4.2799 4.2799 4.3652 4.3652 4.5223 4.5223 4.5897 4.5897 4.6841 4.6841 4.8466 4.8466 4.8947 4.8947 5.1229 5.1229 5.1638 5.1638 5.4387 5.4387 5.6881 5.6881 6.1472 6.1472 6.5341 6.5341 6.5743 6.5743 6.7126 6.7126 7.3592 7.3592 7.9434 7.9434 7.9956 7.9956 8.1424 8.1424 8.8936 8.8936 9.0690 9.0690 9.3628 9.3628 10.3264 10.3264 10.5184 10.5184 10.9676 10.9676 11.7210 11.7210 11.9547 11.9547 11.9828 11.9828 12.1727 12.1727 k = 0.0000 0.4167-0.0000 ( 9130 PWs) bands (ev): -2.4677 -2.4677 -1.9927 -1.9927 -0.8679 -0.8679 -0.8545 -0.8545 0.3355 0.3355 0.3732 0.3732 0.4293 0.4293 0.6932 0.6932 2.7779 2.7779 2.8159 2.8159 2.9568 2.9568 3.0440 3.0440 3.0826 3.0826 3.2004 3.2004 3.3635 3.3635 3.4589 3.4589 3.5168 3.5168 3.6856 3.6856 3.8374 3.8374 3.8791 3.8791 4.1590 4.1590 4.2681 4.2681 4.3818 4.3818 4.5061 4.5061 4.6045 4.6045 4.6808 4.6808 4.8538 4.8538 4.8936 4.8936 5.1197 5.1197 5.1554 5.1554 5.4681 5.4681 5.6695 5.6695 6.1825 6.1825 6.5193 6.5193 6.6508 6.6508 6.7625 6.7625 7.2887 7.2887 7.8666 7.8666 8.0161 8.0161 8.1313 8.1313 8.9637 8.9637 9.1177 9.1177 9.4797 9.4797 10.3564 10.3564 10.4410 10.4410 10.8701 10.8701 11.6877 11.6877 11.9161 11.9161 11.9912 11.9912 12.1864 12.1864 k = 0.0000 0.4375-0.0000 ( 9130 PWs) bands (ev): -2.4142 -2.4142 -2.0567 -2.0567 -0.8583 -0.8583 -0.8476 -0.8476 0.3406 0.3406 0.3695 0.3695 0.4476 0.4476 0.6459 0.6459 2.7852 2.7852 2.8148 2.8148 2.9694 2.9694 3.0369 3.0369 3.0921 3.0921 3.1794 3.1794 3.3748 3.3748 3.4485 3.4485 3.5282 3.5282 3.6590 3.6590 3.8371 3.8371 3.8693 3.8693 4.1750 4.1750 4.2560 4.2560 4.3976 4.3976 4.4900 4.4900 4.6190 4.6190 4.6764 4.6764 4.8609 4.8609 4.8917 4.8917 5.1186 5.1186 5.1472 5.1472 5.4970 5.4970 5.6486 5.6486 6.2209 6.2209 6.4829 6.4829 6.7311 6.7311 6.8391 6.8391 7.2218 7.2218 7.7169 7.7169 8.0659 8.0659 8.1434 8.1434 9.0327 9.0327 9.1578 9.1578 9.5986 9.5986 10.2991 10.2991 10.4397 10.4397 10.7788 10.7788 11.6594 11.6594 11.8451 11.8451 12.0376 12.0376 12.1970 12.1970 k = 0.0000 0.4583-0.0000 ( 9114 PWs) bands (ev): -2.3587 -2.3587 -2.1198 -2.1198 -0.8507 -0.8507 -0.8432 -0.8432 0.3458 0.3458 0.3653 0.3653 0.4700 0.4700 0.6024 0.6024 2.7920 2.7920 2.8124 2.8124 2.9820 2.9820 3.0280 3.0280 3.1028 3.1028 3.1604 3.1604 3.3867 3.3867 3.4367 3.4367 3.5440 3.5440 3.6329 3.6329 3.8386 3.8386 3.8605 3.8605 4.1903 4.1903 4.2438 4.2438 4.4128 4.4128 4.4741 4.4741 4.6324 4.6324 4.6706 4.6706 4.8676 4.8676 4.8887 4.8887 5.1195 5.1195 5.1395 5.1395 5.5250 5.5250 5.6262 5.6262 6.2621 6.2621 6.4402 6.4402 6.8050 6.8050 6.9256 6.9256 7.1701 7.1701 7.5633 7.5633 8.1045 8.1045 8.1527 8.1527 9.0953 9.0953 9.1840 9.1840 9.7189 9.7189 10.1935 10.1935 10.4782 10.4782 10.6974 10.6974 11.6450 11.6450 11.7775 11.7775 12.0858 12.0858 12.1986 12.1986 k = 0.0000 0.4792-0.0000 ( 9102 PWs) bands (ev): -2.3013 -2.3013 -2.1817 -2.1817 -0.8452 -0.8452 -0.8414 -0.8414 0.3510 0.3510 0.3608 0.3608 0.4967 0.4967 0.5629 0.5629 2.7984 2.7984 2.8087 2.8087 2.9943 2.9943 3.0176 3.0176 3.1148 3.1148 3.1434 3.1434 3.3990 3.3990 3.4242 3.4242 3.5629 3.5629 3.6078 3.6078 3.8418 3.8418 3.8528 3.8528 4.2046 4.2046 4.2312 4.2312 4.4279 4.4279 4.4584 4.4584 4.6443 4.6443 4.6634 4.6634 4.8740 4.8740 4.8848 4.8848 5.1223 5.1223 5.1326 5.1326 5.5519 5.5519 5.6025 5.6025 6.3053 6.3053 6.3953 6.3953 6.8738 6.8738 6.9690 6.9690 7.1794 7.1794 7.4146 7.4146 8.1317 8.1317 8.1549 8.1549 9.1458 9.1458 9.1920 9.1920 9.8397 9.8397 10.0787 10.0787 10.5215 10.5215 10.6279 10.6279 11.6498 11.6498 11.7191 11.7191 12.1297 12.1297 12.1881 12.1881 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -2.2423 -2.2423 -2.2423 -2.2423 -0.8420 -0.8420 -0.8420 -0.8420 0.3560 0.3560 0.3560 0.3560 0.5276 0.5276 0.5276 0.5276 2.8040 2.8040 2.8040 2.8040 3.0063 3.0063 3.0063 3.0063 3.1282 3.1282 3.1282 3.1282 3.4116 3.4116 3.4116 3.4116 3.5844 3.5844 3.5844 3.5844 3.8465 3.8465 3.8465 3.8465 4.2182 4.2182 4.2182 4.2182 4.4430 4.4430 4.4430 4.4430 4.6547 4.6547 4.6547 4.6547 4.8798 4.8798 4.8798 4.8798 5.1267 5.1267 5.1267 5.1267 5.5777 5.5777 5.5777 5.5777 6.3499 6.3499 6.3499 6.3499 6.9351 6.9351 6.9351 6.9351 7.2787 7.2787 7.2787 7.2787 8.1482 8.1482 8.1482 8.1482 9.1791 9.1791 9.1791 9.1791 9.9601 9.9601 9.9601 9.9601 10.5702 10.5702 10.5702 10.5702 11.6752 11.6752 11.6752 11.6752 12.1648 12.1648 12.1648 12.1648 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -2.2423 -2.2423 -2.2423 -2.2423 -0.8420 -0.8420 -0.8420 -0.8420 0.3560 0.3560 0.3560 0.3560 0.5276 0.5276 0.5276 0.5276 2.8040 2.8040 2.8040 2.8040 3.0063 3.0063 3.0063 3.0063 3.1282 3.1282 3.1282 3.1282 3.4116 3.4116 3.4116 3.4116 3.5844 3.5844 3.5844 3.5844 3.8465 3.8465 3.8465 3.8465 4.2182 4.2182 4.2182 4.2182 4.4430 4.4430 4.4430 4.4430 4.6547 4.6547 4.6547 4.6547 4.8798 4.8798 4.8798 4.8798 5.1267 5.1267 5.1267 5.1267 5.5777 5.5777 5.5777 5.5777 6.3499 6.3499 6.3499 6.3499 6.9351 6.9351 6.9351 6.9351 7.2787 7.2787 7.2787 7.2787 8.1482 8.1482 8.1482 8.1482 9.1791 9.1791 9.1791 9.1791 9.9601 9.9601 9.9601 9.9601 10.5702 10.5702 10.5702 10.5702 11.6752 11.6752 11.6752 11.6752 12.1648 12.1648 12.1648 12.1648 k = 0.0208 0.5000-0.0000 ( 9108 PWs) bands (ev): -2.2409 -2.2409 -2.2409 -2.2409 -0.8428 -0.8428 -0.8428 -0.8428 0.3557 0.3557 0.3557 0.3557 0.5247 0.5247 0.5247 0.5247 2.8045 2.8045 2.8045 2.8045 3.0047 3.0047 3.0047 3.0047 3.1286 3.1286 3.1286 3.1286 3.4150 3.4150 3.4150 3.4150 3.5848 3.5848 3.5848 3.5848 3.8463 3.8463 3.8463 3.8463 4.2189 4.2189 4.2189 4.2189 4.4433 4.4433 4.4433 4.4433 4.6543 4.6543 4.6543 4.6543 4.8799 4.8799 4.8799 4.8799 5.1276 5.1276 5.1276 5.1276 5.5709 5.5709 5.5709 5.5709 6.3496 6.3496 6.3496 6.3496 6.9439 6.9439 6.9439 6.9439 7.2809 7.2809 7.2809 7.2809 8.1500 8.1500 8.1500 8.1500 9.1798 9.1798 9.1798 9.1798 9.9590 9.9590 9.9590 9.9590 10.5680 10.5680 10.5680 10.5680 11.6790 11.6790 11.6790 11.6790 12.1409 12.1409 12.1409 12.1409 k = 0.0417 0.5000-0.0000 ( 9118 PWs) bands (ev): -2.2368 -2.2368 -2.2368 -2.2368 -0.8451 -0.8451 -0.8451 -0.8451 0.3549 0.3549 0.3549 0.3549 0.5160 0.5160 0.5160 0.5160 2.8058 2.8058 2.8058 2.8058 3.0002 3.0002 3.0002 3.0002 3.1297 3.1297 3.1297 3.1297 3.4248 3.4248 3.4248 3.4248 3.5863 3.5863 3.5863 3.5863 3.8459 3.8459 3.8459 3.8459 4.2208 4.2208 4.2208 4.2208 4.4440 4.4440 4.4440 4.4440 4.6531 4.6531 4.6531 4.6531 4.8803 4.8803 4.8803 4.8803 5.1303 5.1303 5.1303 5.1303 5.5514 5.5514 5.5514 5.5514 6.3480 6.3480 6.3480 6.3480 6.9695 6.9695 6.9695 6.9695 7.2878 7.2878 7.2878 7.2878 8.1552 8.1552 8.1552 8.1552 9.1821 9.1821 9.1821 9.1821 9.9556 9.9556 9.9556 9.9556 10.5615 10.5615 10.5615 10.5615 11.6893 11.6893 11.6893 11.6893 12.0787 12.0787 12.0787 12.0787 k = 0.0625 0.5000-0.0000 ( 9118 PWs) bands (ev): -2.2301 -2.2301 -2.2301 -2.2301 -0.8490 -0.8490 -0.8490 -0.8490 0.3535 0.3535 0.3535 0.3535 0.5020 0.5020 0.5020 0.5020 2.8078 2.8078 2.8078 2.8078 2.9933 2.9933 2.9933 2.9933 3.1313 3.1313 3.1313 3.1313 3.4394 3.4394 3.4394 3.4394 3.5894 3.5894 3.5894 3.5894 3.8452 3.8452 3.8452 3.8452 4.2237 4.2237 4.2237 4.2237 4.4453 4.4453 4.4453 4.4453 4.6514 4.6514 4.6514 4.6514 4.8806 4.8806 4.8806 4.8806 5.1349 5.1349 5.1349 5.1349 5.5220 5.5220 5.5220 5.5220 6.3442 6.3442 6.3442 6.3442 7.0086 7.0086 7.0086 7.0086 7.3013 7.3013 7.3013 7.3013 8.1631 8.1631 8.1631 8.1631 9.1865 9.1865 9.1865 9.1865 9.9497 9.9497 9.9497 9.9497 10.5514 10.5514 10.5514 10.5514 11.7023 11.7023 11.7023 11.7023 11.9958 11.9958 11.9958 11.9958 k = 0.0833 0.5000-0.0000 ( 9138 PWs) bands (ev): -2.2206 -2.2206 -2.2206 -2.2206 -0.8548 -0.8548 -0.8548 -0.8548 0.3515 0.3515 0.3515 0.3515 0.4834 0.4834 0.4834 0.4834 2.8104 2.8104 2.8104 2.8104 2.9847 2.9847 2.9847 2.9847 3.1333 3.1333 3.1333 3.1333 3.4566 3.4566 3.4566 3.4566 3.5951 3.5951 3.5951 3.5951 3.8445 3.8445 3.8445 3.8445 4.2274 4.2274 4.2274 4.2274 4.4468 4.4468 4.4468 4.4468 4.6493 4.6493 4.6493 4.6493 4.8806 4.8806 4.8806 4.8806 5.1417 5.1417 5.1417 5.1417 5.4866 5.4866 5.4866 5.4866 6.3375 6.3375 6.3375 6.3375 7.0552 7.0552 7.0552 7.0552 7.3251 7.3251 7.3251 7.3251 8.1727 8.1727 8.1727 8.1727 9.1937 9.1937 9.1937 9.1937 9.9410 9.9410 9.9410 9.9410 10.5385 10.5385 10.5385 10.5385 11.7059 11.7059 11.7059 11.7059 11.9137 11.9137 11.9137 11.9137 k = 0.1042 0.5000-0.0000 ( 9138 PWs) bands (ev): -2.2085 -2.2085 -2.2085 -2.2085 -0.8625 -0.8625 -0.8625 -0.8625 0.3488 0.3488 0.3488 0.3488 0.4609 0.4609 0.4609 0.4609 2.8133 2.8133 2.8133 2.8133 2.9753 2.9753 2.9753 2.9753 3.1354 3.1354 3.1354 3.1354 3.4732 3.4732 3.4732 3.4732 3.6048 3.6048 3.6048 3.6048 3.8443 3.8443 3.8443 3.8443 4.2317 4.2317 4.2317 4.2317 4.4485 4.4485 4.4485 4.4485 4.6473 4.6473 4.6473 4.6473 4.8799 4.8799 4.8799 4.8799 5.1508 5.1508 5.1508 5.1508 5.4488 5.4488 5.4488 5.4488 6.3277 6.3277 6.3277 6.3277 7.1009 7.1009 7.1009 7.1009 7.3649 7.3649 7.3649 7.3649 8.1828 8.1828 8.1828 8.1828 9.2049 9.2049 9.2049 9.2049 9.9290 9.9290 9.9290 9.9290 10.5236 10.5236 10.5236 10.5236 11.6690 11.6690 11.6690 11.6690 11.8682 11.8682 11.8682 11.8682 k = 0.1250 0.5000-0.0000 ( 9144 PWs) bands (ev): -2.1937 -2.1937 -2.1937 -2.1937 -0.8724 -0.8724 -0.8724 -0.8724 0.3454 0.3454 0.3454 0.3454 0.4357 0.4357 0.4357 0.4357 2.8163 2.8163 2.8163 2.8163 2.9655 2.9655 2.9655 2.9655 3.1378 3.1378 3.1378 3.1378 3.4860 3.4860 3.4860 3.4860 3.6197 3.6197 3.6197 3.6197 3.8448 3.8448 3.8448 3.8448 4.2359 4.2359 4.2359 4.2359 4.4500 4.4500 4.4500 4.4500 4.6456 4.6456 4.6456 4.6456 4.8781 4.8781 4.8781 4.8781 5.1626 5.1626 5.1626 5.1626 5.4120 5.4120 5.4120 5.4120 6.3156 6.3156 6.3156 6.3156 7.1378 7.1378 7.1378 7.1378 7.4257 7.4257 7.4257 7.4257 8.1918 8.1918 8.1918 8.1918 9.2211 9.2211 9.2211 9.2211 9.9131 9.9131 9.9131 9.9131 10.5075 10.5075 10.5075 10.5075 11.5807 11.5807 11.5807 11.5807 11.8723 11.8723 11.8723 11.8723 k = 0.1458 0.5000-0.0000 ( 9140 PWs) bands (ev): -2.1763 -2.1763 -2.1763 -2.1763 -0.8847 -0.8847 -0.8847 -0.8847 0.3408 0.3408 0.3408 0.3408 0.4091 0.4091 0.4091 0.4091 2.8193 2.8193 2.8193 2.8193 2.9557 2.9557 2.9557 2.9557 3.1403 3.1403 3.1403 3.1403 3.4935 3.4935 3.4935 3.4935 3.6391 3.6391 3.6391 3.6391 3.8468 3.8468 3.8468 3.8468 4.2398 4.2398 4.2398 4.2398 4.4512 4.4512 4.4512 4.4512 4.6449 4.6449 4.6449 4.6449 4.8748 4.8748 4.8748 4.8748 5.1772 5.1772 5.1772 5.1772 5.3791 5.3791 5.3791 5.3791 6.3020 6.3020 6.3020 6.3020 7.1638 7.1638 7.1638 7.1638 7.5069 7.5069 7.5069 7.5069 8.1985 8.1985 8.1985 8.1985 9.2435 9.2435 9.2435 9.2435 9.8926 9.8926 9.8926 9.8926 10.4909 10.4909 10.4909 10.4909 11.4708 11.4708 11.4708 11.4708 11.8973 11.8973 11.8973 11.8973 k = 0.1667 0.5000-0.0000 ( 9146 PWs) bands (ev): -2.1562 -2.1562 -2.1562 -2.1562 -0.8999 -0.8999 -0.8999 -0.8999 0.3345 0.3345 0.3345 0.3345 0.3828 0.3828 0.3828 0.3828 2.8219 2.8219 2.8219 2.8219 2.9463 2.9463 2.9463 2.9463 3.1432 3.1432 3.1432 3.1432 3.4959 3.4959 3.4959 3.4959 3.6605 3.6605 3.6605 3.6605 3.8510 3.8510 3.8510 3.8510 4.2431 4.2431 4.2431 4.2431 4.4517 4.4517 4.4517 4.4517 4.6455 4.6455 4.6455 4.6455 4.8699 4.8699 4.8699 4.8699 5.1940 5.1940 5.1940 5.1940 5.3524 5.3524 5.3524 5.3524 6.2882 6.2882 6.2882 6.2882 7.1813 7.1813 7.1813 7.1813 7.6034 7.6034 7.6034 7.6034 8.2019 8.2019 8.2019 8.2019 9.2729 9.2729 9.2729 9.2729 9.8665 9.8665 9.8665 9.8665 10.4743 10.4743 10.4743 10.4743 11.3560 11.3560 11.3560 11.3560 11.9275 11.9275 11.9275 11.9275 k = 0.1875 0.5000-0.0000 ( 9148 PWs) bands (ev): -2.1336 -2.1336 -2.1336 -2.1336 -0.9180 -0.9180 -0.9180 -0.9180 0.3243 0.3243 0.3243 0.3243 0.3597 0.3597 0.3597 0.3597 2.8241 2.8241 2.8241 2.8241 2.9372 2.9372 2.9372 2.9372 3.1463 3.1463 3.1463 3.1463 3.4942 3.4942 3.4942 3.4942 3.6806 3.6806 3.6806 3.6806 3.8582 3.8582 3.8582 3.8582 4.2454 4.2454 4.2454 4.2454 4.4514 4.4514 4.4514 4.4514 4.6477 4.6477 4.6477 4.6477 4.8633 4.8633 4.8633 4.8633 5.2120 5.2120 5.2120 5.2120 5.3344 5.3344 5.3344 5.3344 6.2759 6.2759 6.2759 6.2759 7.1935 7.1935 7.1935 7.1935 7.7092 7.7092 7.7092 7.7092 8.2013 8.2013 8.2013 8.2013 9.3098 9.3098 9.3098 9.3098 9.8342 9.8342 9.8342 9.8342 10.4579 10.4579 10.4579 10.4579 11.2429 11.2429 11.2429 11.2429 11.9570 11.9570 11.9570 11.9570 k = 0.2083 0.5000-0.0000 ( 9146 PWs) bands (ev): -2.1085 -2.1085 -2.1085 -2.1085 -0.9394 -0.9394 -0.9394 -0.9394 0.3075 0.3075 0.3075 0.3075 0.3437 0.3437 0.3437 0.3437 2.8258 2.8258 2.8258 2.8258 2.9288 2.9288 2.9288 2.9288 3.1499 3.1499 3.1499 3.1499 3.4894 3.4894 3.4894 3.4894 3.6970 3.6970 3.6970 3.6970 3.8685 3.8685 3.8685 3.8685 4.2470 4.2470 4.2470 4.2470 4.4502 4.4502 4.4502 4.4502 4.6516 4.6516 4.6516 4.6516 4.8553 4.8553 4.8553 4.8553 5.2284 5.2284 5.2284 5.2284 5.3280 5.3280 5.3280 5.3280 6.2665 6.2665 6.2665 6.2665 7.2026 7.2026 7.2026 7.2026 7.8195 7.8195 7.8195 7.8195 8.1969 8.1969 8.1969 8.1969 9.3542 9.3542 9.3542 9.3542 9.7952 9.7952 9.7952 9.7952 10.4418 10.4418 10.4418 10.4418 11.1355 11.1355 11.1355 11.1355 11.9830 11.9830 11.9830 11.9830 k = 0.2292 0.5000-0.0000 ( 9150 PWs) bands (ev): -2.0809 -2.0809 -2.0809 -2.0809 -0.9643 -0.9643 -0.9643 -0.9643 0.2861 0.2861 0.2861 0.2861 0.3334 0.3334 0.3334 0.3334 2.8270 2.8270 2.8270 2.8270 2.9210 2.9210 2.9210 2.9210 3.1539 3.1539 3.1539 3.1539 3.4821 3.4821 3.4821 3.4821 3.7087 3.7087 3.7087 3.7087 3.8811 3.8811 3.8811 3.8811 4.2481 4.2481 4.2481 4.2481 4.4483 4.4483 4.4483 4.4483 4.6569 4.6569 4.6569 4.6569 4.8463 4.8463 4.8463 4.8463 5.2399 5.2399 5.2399 5.2399 5.3353 5.3353 5.3353 5.3353 6.2620 6.2620 6.2620 6.2620 7.2097 7.2097 7.2097 7.2097 7.9288 7.9288 7.9288 7.9288 8.1906 8.1906 8.1906 8.1906 9.4054 9.4054 9.4054 9.4054 9.7499 9.7499 9.7499 9.7499 10.4259 10.4259 10.4259 10.4259 11.0364 11.0364 11.0364 11.0364 12.0039 12.0039 12.0039 12.0039 k = 0.2500 0.5000-0.0000 ( 9158 PWs) bands (ev): -2.0508 -2.0508 -2.0508 -2.0508 -0.9928 -0.9928 -0.9928 -0.9928 0.2646 0.2646 0.2646 0.2646 0.3252 0.3252 0.3252 0.3252 2.8277 2.8277 2.8277 2.8277 2.9138 2.9138 2.9138 2.9138 3.1585 3.1585 3.1585 3.1585 3.4726 3.4726 3.4726 3.4726 3.7160 3.7160 3.7160 3.7160 3.8943 3.8943 3.8943 3.8943 4.2494 4.2494 4.2494 4.2494 4.4457 4.4457 4.4457 4.4457 4.6634 4.6634 4.6634 4.6634 4.8367 4.8367 4.8367 4.8367 5.2468 5.2468 5.2468 5.2468 5.3544 5.3544 5.3544 5.3544 6.2644 6.2644 6.2644 6.2644 7.2154 7.2154 7.2154 7.2154 8.0274 8.0274 8.0274 8.0274 8.1889 8.1889 8.1889 8.1889 9.4611 9.4611 9.4611 9.4611 9.7008 9.7008 9.7008 9.7008 10.4099 10.4099 10.4099 10.4099 10.9475 10.9475 10.9475 10.9475 12.0189 12.0189 12.0189 12.0189 k = 0.2708 0.5000-0.0000 ( 9152 PWs) bands (ev): -2.0184 -2.0184 -2.0184 -2.0184 -1.0248 -1.0248 -1.0248 -1.0248 0.2451 0.2451 0.2451 0.2451 0.3173 0.3173 0.3173 0.3173 2.8281 2.8281 2.8281 2.8281 2.9071 2.9071 2.9071 2.9071 3.1636 3.1636 3.1636 3.1636 3.4613 3.4613 3.4613 3.4613 3.7201 3.7201 3.7201 3.7201 3.9061 3.9061 3.9061 3.9061 4.2515 4.2515 4.2515 4.2515 4.4428 4.4428 4.4428 4.4428 4.6705 4.6705 4.6705 4.6705 4.8271 4.8271 4.8271 4.8271 5.2523 5.2523 5.2523 5.2523 5.3795 5.3795 5.3795 5.3795 6.2758 6.2758 6.2758 6.2758 7.2201 7.2201 7.2201 7.2201 8.0877 8.0877 8.0877 8.0877 8.2160 8.2160 8.2160 8.2160 9.5143 9.5143 9.5143 9.5143 9.6571 9.6571 9.6571 9.6571 10.3935 10.3935 10.3935 10.3935 10.8696 10.8696 10.8696 10.8696 12.0278 12.0278 12.0278 12.0278 k = 0.2917 0.5000-0.0000 ( 9176 PWs) bands (ev): -1.9837 -1.9837 -1.9837 -1.9837 -1.0603 -1.0603 -1.0603 -1.0603 0.2283 0.2283 0.2283 0.2283 0.3093 0.3093 0.3093 0.3093 2.8282 2.8282 2.8282 2.8282 2.9008 2.9008 2.9008 2.9008 3.1693 3.1693 3.1693 3.1693 3.4484 3.4484 3.4484 3.4484 3.7219 3.7219 3.7219 3.7219 3.9152 3.9152 3.9152 3.9152 4.2552 4.2552 4.2552 4.2552 4.4397 4.4397 4.4397 4.4397 4.6779 4.6779 4.6779 4.6779 4.8178 4.8178 4.8178 4.8178 5.2588 5.2588 5.2588 5.2588 5.4053 5.4053 5.4053 5.4053 6.2982 6.2982 6.2982 6.2982 7.2236 7.2236 7.2236 7.2236 8.0941 8.0941 8.0941 8.0941 8.2831 8.2831 8.2831 8.2831 9.5345 9.5345 9.5345 9.5345 9.6528 9.6528 9.6528 9.6528 10.3763 10.3763 10.3763 10.3763 10.8027 10.8027 10.8027 10.8027 12.0311 12.0311 12.0311 12.0311 k = 0.3125 0.5000-0.0000 ( 9176 PWs) bands (ev): -1.9468 -1.9468 -1.9468 -1.9468 -1.0991 -1.0991 -1.0991 -1.0991 0.2147 0.2147 0.2147 0.2147 0.3011 0.3011 0.3011 0.3011 2.8282 2.8282 2.8282 2.8282 2.8949 2.8949 2.8949 2.8949 3.1757 3.1757 3.1757 3.1757 3.4340 3.4340 3.4340 3.4340 3.7225 3.7225 3.7225 3.7225 3.9209 3.9209 3.9209 3.9209 4.2607 4.2607 4.2607 4.2607 4.4364 4.4364 4.4364 4.4364 4.6852 4.6852 4.6852 4.6852 4.8088 4.8088 4.8088 4.8088 5.2670 5.2670 5.2670 5.2670 5.4281 5.4281 5.4281 5.4281 6.3333 6.3333 6.3333 6.3333 7.2257 7.2257 7.2257 7.2257 8.0801 8.0801 8.0801 8.0801 8.3513 8.3513 8.3513 8.3513 9.5105 9.5105 9.5105 9.5105 9.7055 9.7055 9.7055 9.7055 10.3576 10.3576 10.3576 10.3576 10.7456 10.7456 10.7456 10.7456 12.0294 12.0294 12.0294 12.0294 k = 0.3333 0.5000-0.0000 ( 9184 PWs) bands (ev): -1.9078 -1.9078 -1.9078 -1.9078 -1.1409 -1.1409 -1.1409 -1.1409 0.2044 0.2044 0.2044 0.2044 0.2924 0.2924 0.2924 0.2924 2.8283 2.8283 2.8283 2.8283 2.8891 2.8891 2.8891 2.8891 3.1829 3.1829 3.1829 3.1829 3.4186 3.4186 3.4186 3.4186 3.7225 3.7225 3.7225 3.7225 3.9232 3.9232 3.9232 3.9232 4.2681 4.2681 4.2681 4.2681 4.4330 4.4330 4.4330 4.4330 4.6922 4.6922 4.6922 4.6922 4.8003 4.8003 4.8003 4.8003 5.2772 5.2772 5.2772 5.2772 5.4458 5.4458 5.4458 5.4458 6.3817 6.3817 6.3817 6.3817 7.2261 7.2261 7.2261 7.2261 8.0610 8.0610 8.0610 8.0610 8.3985 8.3985 8.3985 8.3985 9.4884 9.4884 9.4884 9.4884 9.7765 9.7765 9.7765 9.7765 10.3369 10.3369 10.3369 10.3369 10.6967 10.6967 10.6967 10.6967 12.0239 12.0239 12.0239 12.0239 k = 0.3542 0.5000-0.0000 ( 9152 PWs) bands (ev): -1.8667 -1.8667 -1.8667 -1.8667 -1.1854 -1.1854 -1.1854 -1.1854 0.1972 0.1972 0.1972 0.1972 0.2834 0.2834 0.2834 0.2834 2.8286 2.8286 2.8286 2.8286 2.8836 2.8836 2.8836 2.8836 3.1907 3.1907 3.1907 3.1907 3.4023 3.4023 3.4023 3.4023 3.7221 3.7221 3.7221 3.7221 3.9228 3.9228 3.9228 3.9228 4.2771 4.2771 4.2771 4.2771 4.4293 4.4293 4.4293 4.4293 4.6990 4.6990 4.6990 4.6990 4.7922 4.7922 4.7922 4.7922 5.2891 5.2891 5.2891 5.2891 5.4573 5.4573 5.4573 5.4573 6.4429 6.4429 6.4429 6.4429 7.2239 7.2239 7.2239 7.2239 8.0411 8.0411 8.0411 8.0411 8.4155 8.4155 8.4155 8.4155 9.4883 9.4883 9.4883 9.4883 9.8522 9.8522 9.8522 9.8522 10.3135 10.3135 10.3135 10.3135 10.6540 10.6540 10.6540 10.6540 12.0159 12.0159 12.0159 12.0159 k = 0.3750 0.5000-0.0000 ( 9154 PWs) bands (ev): -1.8238 -1.8238 -1.8238 -1.8238 -1.2321 -1.2321 -1.2321 -1.2321 0.1931 0.1931 0.1931 0.1931 0.2742 0.2742 0.2742 0.2742 2.8294 2.8294 2.8294 2.8294 2.8781 2.8781 2.8781 2.8781 3.1993 3.1993 3.1993 3.1993 3.3855 3.3855 3.3855 3.3855 3.7218 3.7218 3.7218 3.7218 3.9205 3.9205 3.9205 3.9205 4.2870 4.2870 4.2870 4.2870 4.4254 4.4254 4.4254 4.4254 4.7055 4.7055 4.7055 4.7055 4.7846 4.7846 4.7846 4.7846 5.3024 5.3024 5.3024 5.3024 5.4624 5.4624 5.4624 5.4624 6.5154 6.5154 6.5154 6.5154 7.2182 7.2182 7.2182 7.2182 8.0229 8.0229 8.0229 8.0229 8.4005 8.4005 8.4005 8.4005 9.5154 9.5154 9.5154 9.5154 9.9284 9.9284 9.9284 9.9284 10.2871 10.2871 10.2871 10.2871 10.6153 10.6153 10.6153 10.6153 12.0069 12.0069 12.0069 12.0069 k = 0.3958 0.5000-0.0000 ( 9162 PWs) bands (ev): -1.7791 -1.7791 -1.7791 -1.7791 -1.2806 -1.2806 -1.2806 -1.2806 0.1916 0.1916 0.1916 0.1916 0.2647 0.2647 0.2647 0.2647 2.8305 2.8305 2.8305 2.8305 2.8726 2.8726 2.8726 2.8726 3.2085 3.2085 3.2085 3.2085 3.3686 3.3686 3.3686 3.3686 3.7215 3.7215 3.7215 3.7215 3.9170 3.9170 3.9170 3.9170 4.2972 4.2972 4.2972 4.2972 4.4214 4.4214 4.4214 4.4214 4.7118 4.7118 4.7118 4.7118 4.7772 4.7772 4.7772 4.7772 5.3169 5.3169 5.3169 5.3169 5.4618 5.4618 5.4618 5.4618 6.5966 6.5966 6.5966 6.5966 7.2076 7.2076 7.2076 7.2076 8.0080 8.0080 8.0080 8.0080 8.3592 8.3592 8.3592 8.3592 9.5665 9.5665 9.5665 9.5665 10.0019 10.0019 10.0019 10.0019 10.2581 10.2581 10.2581 10.2581 10.5788 10.5788 10.5788 10.5788 11.9985 11.9985 11.9985 11.9985 k = 0.4167 0.5000-0.0000 ( 9172 PWs) bands (ev): -1.7328 -1.7328 -1.7328 -1.7328 -1.3304 -1.3304 -1.3304 -1.3304 0.1924 0.1924 0.1924 0.1924 0.2553 0.2553 0.2553 0.2553 2.8323 2.8323 2.8323 2.8323 2.8673 2.8673 2.8673 2.8673 3.2183 3.2183 3.2183 3.2183 3.3520 3.3520 3.3520 3.3520 3.7213 3.7213 3.7213 3.7213 3.9131 3.9131 3.9131 3.9131 4.3071 4.3071 4.3071 4.3071 4.4172 4.4172 4.4172 4.4172 4.7179 4.7179 4.7179 4.7179 4.7702 4.7702 4.7702 4.7702 5.3321 5.3321 5.3321 5.3321 5.4567 5.4567 5.4567 5.4567 6.6835 6.6835 6.6835 6.6835 7.1902 7.1902 7.1902 7.1902 7.9982 7.9982 7.9982 7.9982 8.3012 8.3012 8.3012 8.3012 9.6341 9.6341 9.6341 9.6341 10.0665 10.0665 10.0665 10.0665 10.2300 10.2300 10.2300 10.2300 10.5425 10.5425 10.5425 10.5425 11.9924 11.9924 11.9924 11.9924 k = 0.4375 0.5000-0.0000 ( 9164 PWs) bands (ev): -1.6851 -1.6851 -1.6851 -1.6851 -1.3812 -1.3812 -1.3812 -1.3812 0.1952 0.1952 0.1952 0.1952 0.2461 0.2461 0.2461 0.2461 2.8345 2.8345 2.8345 2.8345 2.8622 2.8622 2.8622 2.8622 3.2284 3.2284 3.2284 3.2284 3.3364 3.3364 3.3364 3.3364 3.7212 3.7212 3.7212 3.7212 3.9095 3.9095 3.9095 3.9095 4.3160 4.3160 4.3160 4.3160 4.4132 4.4132 4.4132 4.4132 4.7240 4.7240 4.7240 4.7240 4.7634 4.7634 4.7634 4.7634 5.3476 5.3476 5.3476 5.3476 5.4482 5.4482 5.4482 5.4482 6.7725 6.7725 6.7725 6.7725 7.1641 7.1641 7.1641 7.1641 7.9950 7.9950 7.9950 7.9950 8.2369 8.2369 8.2369 8.2369 9.7100 9.7100 9.7100 9.7100 10.1016 10.1016 10.1016 10.1016 10.2218 10.2218 10.2218 10.2218 10.5048 10.5048 10.5048 10.5048 11.9906 11.9906 11.9906 11.9906 k = 0.4583 0.5000-0.0000 ( 9164 PWs) bands (ev): -1.6361 -1.6361 -1.6361 -1.6361 -1.4325 -1.4325 -1.4325 -1.4325 0.1993 0.1993 0.1993 0.1993 0.2375 0.2375 0.2375 0.2375 2.8371 2.8371 2.8371 2.8371 2.8575 2.8575 2.8575 2.8575 3.2381 3.2381 3.2381 3.2381 3.3225 3.3225 3.3225 3.3225 3.7212 3.7212 3.7212 3.7212 3.9066 3.9066 3.9066 3.9066 4.3233 4.3233 4.3233 4.3233 4.4097 4.4097 4.4097 4.4097 4.7300 4.7300 4.7300 4.7300 4.7568 4.7568 4.7568 4.7568 5.3627 5.3627 5.3627 5.3627 5.4377 5.4377 5.4377 5.4377 6.8599 6.8599 6.8599 6.8599 7.1273 7.1273 7.1273 7.1273 7.9997 7.9997 7.9997 7.9997 8.1755 8.1755 8.1755 8.1755 9.7872 9.7872 9.7872 9.7872 10.0831 10.0831 10.0831 10.0831 10.2564 10.2564 10.2564 10.2564 10.4647 10.4647 10.4647 10.4647 11.9947 11.9947 11.9947 11.9947 k = 0.4792 0.5000-0.0000 ( 9168 PWs) bands (ev): -1.5861 -1.5861 -1.5861 -1.5861 -1.4840 -1.4840 -1.4840 -1.4840 0.2037 0.2037 0.2037 0.2037 0.2304 0.2304 0.2304 0.2304 2.8396 2.8396 2.8396 2.8396 2.8536 2.8536 2.8536 2.8536 3.2461 3.2461 3.2461 3.2461 3.3120 3.3120 3.3120 3.3120 3.7212 3.7212 3.7212 3.7212 3.9048 3.9048 3.9048 3.9048 4.3281 4.3281 4.3281 4.3281 4.4072 4.4072 4.4072 4.4072 4.7358 4.7358 4.7358 4.7358 4.7507 4.7507 4.7507 4.7507 5.3756 5.3756 5.3756 5.3756 5.4273 5.4273 5.4273 5.4273 6.9415 6.9415 6.9415 6.9415 7.0785 7.0785 7.0785 7.0785 8.0112 8.0112 8.0112 8.0112 8.1264 8.1264 8.1264 8.1264 9.8567 9.8567 9.8567 9.8567 10.0403 10.0403 10.0403 10.0403 10.3065 10.3065 10.3065 10.3065 10.4227 10.4227 10.4227 10.4227 12.0061 12.0061 12.0061 12.0061 k = 0.5000 0.5000-0.0000 ( 9124 PWs) bands (ev): -1.5367 -1.5367 -1.5367 -1.5367 -1.5338 -1.5338 -1.5338 -1.5338 0.2060 0.2060 0.2060 0.2060 0.2273 0.2273 0.2273 0.2273 2.8410 2.8410 2.8410 2.8410 2.8518 2.8518 2.8518 2.8518 3.2493 3.2493 3.2493 3.2493 3.3078 3.3078 3.3078 3.3078 3.7212 3.7212 3.7212 3.7212 3.9042 3.9042 3.9042 3.9042 4.3298 4.3298 4.3298 4.3298 4.4063 4.4063 4.4063 4.4063 4.7393 4.7393 4.7393 4.7393 4.7470 4.7470 4.7470 4.7470 5.3815 5.3815 5.3815 5.3815 5.4222 5.4222 5.4222 5.4222 7.0046 7.0046 7.0046 7.0046 7.0268 7.0268 7.0268 7.0268 8.0197 8.0197 8.0197 8.0197 8.1048 8.1048 8.1048 8.1048 9.8929 9.8929 9.8929 9.8929 10.0123 10.0123 10.0123 10.0123 10.3394 10.3394 10.3394 10.3394 10.3934 10.3934 10.3934 10.3934 12.0233 12.0233 12.0233 12.0233 k = 0.5000 0.5000-0.0000 ( 9124 PWs) bands (ev): -1.5367 -1.5367 -1.5367 -1.5367 -1.5338 -1.5338 -1.5338 -1.5338 0.2060 0.2060 0.2060 0.2060 0.2273 0.2273 0.2273 0.2273 2.8410 2.8410 2.8410 2.8410 2.8518 2.8518 2.8518 2.8518 3.2493 3.2493 3.2493 3.2493 3.3078 3.3078 3.3078 3.3078 3.7212 3.7212 3.7212 3.7212 3.9042 3.9042 3.9042 3.9042 4.3298 4.3298 4.3298 4.3298 4.4063 4.4063 4.4063 4.4063 4.7393 4.7393 4.7393 4.7393 4.7470 4.7470 4.7470 4.7470 5.3815 5.3815 5.3815 5.3815 5.4222 5.4222 5.4222 5.4222 7.0046 7.0046 7.0046 7.0046 7.0268 7.0268 7.0268 7.0268 8.0197 8.0197 8.0197 8.0197 8.1048 8.1048 8.1048 8.1048 9.8929 9.8929 9.8929 9.8929 10.0123 10.0123 10.0123 10.0123 10.3394 10.3394 10.3394 10.3394 10.3934 10.3934 10.3934 10.3934 12.0233 12.0233 12.0233 12.0233 k = 0.4853 0.4853-0.0000 ( 9170 PWs) bands (ev): -1.6080 -1.6080 -1.5348 -1.5348 -1.5340 -1.5340 -1.4630 -1.4630 0.1871 0.1871 0.2100 0.2100 0.2230 0.2230 0.2483 0.2483 2.8392 2.8392 2.8410 2.8410 2.8503 2.8503 2.8555 2.8555 3.2368 3.2368 3.2586 3.2586 3.2970 3.2970 3.3236 3.3236 3.7132 3.7132 3.7296 3.7296 3.8867 3.8867 3.9222 3.9222 4.3185 4.3185 4.3388 4.3388 4.4023 4.4023 4.4115 4.4115 4.7324 4.7324 4.7383 4.7383 4.7441 4.7441 4.7577 4.7577 5.3667 5.3667 5.3893 5.3893 5.4138 5.4138 5.4354 5.4354 6.9274 6.9274 6.9998 6.9998 7.0216 7.0216 7.1028 7.1028 7.9557 7.9557 8.0529 8.0529 8.0728 8.0728 8.1780 8.1780 9.8037 9.8037 9.9397 9.9397 9.9579 9.9579 10.1020 10.1020 10.2807 10.2807 10.3590 10.3590 10.3697 10.3697 10.4553 10.4553 11.9763 11.9763 12.0110 12.0110 k = 0.4706 0.4706-0.0000 ( 9166 PWs) bands (ev): -1.6808 -1.6808 -1.5328 -1.5328 -1.5311 -1.5311 -1.3919 -1.3919 0.1663 0.1663 0.1971 0.1971 0.2399 0.2399 0.2710 0.2710 2.8366 2.8366 2.8393 2.8393 2.8514 2.8514 2.8599 2.8599 3.2222 3.2222 3.2618 3.2618 3.2953 3.2953 3.3417 3.3417 3.7056 3.7056 3.7383 3.7383 3.8702 3.8702 3.9407 3.9407 4.3060 4.3060 4.3445 4.3445 4.4003 4.4003 4.4170 4.4170 4.7210 4.7210 4.7346 4.7346 4.7476 4.7476 4.7688 4.7688 5.3473 5.3473 5.3891 5.3891 5.4115 5.4115 5.4506 5.4506 6.8419 6.8419 6.9783 6.9783 7.0139 7.0139 7.1840 7.1840 7.8826 7.8826 8.0287 8.0287 8.1173 8.1173 8.2611 8.2611 9.6905 9.6905 9.9197 9.9197 9.9700 9.9700 10.1740 10.1740 10.2392 10.2392 10.3484 10.3484 10.3701 10.3701 10.5327 10.5327 11.9317 11.9317 12.0026 12.0026 k = 0.4559 0.4559-0.0000 ( 9168 PWs) bands (ev): -1.7533 -1.7533 -1.5291 -1.5291 -1.5265 -1.5265 -1.3224 -1.3224 0.1453 0.1453 0.1871 0.1871 0.2578 0.2578 0.2940 0.2940 2.8333 2.8333 2.8375 2.8375 2.8538 2.8538 2.8647 2.8647 3.2064 3.2064 3.2592 3.2592 3.3025 3.3025 3.3606 3.3606 3.6986 3.6986 3.7472 3.7472 3.8549 3.8549 3.9594 3.9594 4.2927 4.2927 4.3455 4.3455 4.4014 4.4014 4.4230 4.4230 4.7087 4.7087 4.7310 4.7310 4.7517 4.7517 4.7795 4.7795 5.3253 5.3253 5.3838 5.3838 5.4123 5.4123 5.4651 5.4651 6.7594 6.7594 6.9504 6.9504 6.9932 6.9932 7.2602 7.2602 7.8081 7.8081 8.0280 8.0280 8.1535 8.1535 8.3475 8.3475 9.5705 9.5705 9.8978 9.8978 9.9819 9.9819 10.1253 10.1253 10.2930 10.2930 10.3347 10.3347 10.3931 10.3931 10.6127 10.6127 11.8935 11.8935 12.0021 12.0021 k = 0.4412 0.4412-0.0000 ( 9162 PWs) bands (ev): -1.8252 -1.8252 -1.5237 -1.5237 -1.5203 -1.5203 -1.2553 -1.2553 0.1255 0.1255 0.1793 0.1793 0.2772 0.2772 0.3165 0.3165 2.8297 2.8297 2.8362 2.8362 2.8567 2.8567 2.8696 2.8696 3.1902 3.1902 3.2556 3.2556 3.3141 3.3141 3.3794 3.3794 3.6922 3.6922 3.7561 3.7561 3.8410 3.8410 3.9779 3.9779 4.2789 4.2789 4.3421 4.3421 4.4045 4.4045 4.4296 4.4296 4.6961 4.6961 4.7271 4.7271 4.7566 4.7566 4.7900 4.7900 5.3018 5.3018 5.3765 5.3765 5.4132 5.4132 5.4772 5.4772 6.6828 6.6828 6.9164 6.9164 6.9606 6.9606 7.3306 7.3306 7.7367 7.7367 8.0472 8.0472 8.1775 8.1775 8.4342 8.4342 9.4500 9.4500 9.8803 9.8803 9.9829 9.9829 10.0696 10.0696 10.2930 10.2930 10.3222 10.3222 10.4753 10.4753 10.6924 10.6924 11.8616 11.8616 12.0104 12.0104 k = 0.4265 0.4265-0.0000 ( 9162 PWs) bands (ev): -1.8962 -1.8962 -1.5168 -1.5168 -1.5125 -1.5125 -1.1914 -1.1914 0.1079 0.1079 0.1734 0.1734 0.2982 0.2982 0.3384 0.3384 2.8258 2.8258 2.8357 2.8357 2.8599 2.8599 2.8746 2.8746 3.1741 3.1741 3.2530 3.2530 3.3275 3.3275 3.3972 3.3972 3.6867 3.6867 3.7649 3.7649 3.8291 3.8291 3.9958 3.9958 4.2647 4.2647 4.3360 4.3360 4.4080 4.4080 4.4373 4.4373 4.6830 4.6830 4.7229 4.7229 4.7624 4.7624 4.8001 4.8001 5.2774 5.2774 5.3682 5.3682 5.4131 5.4131 5.4857 5.4857 6.6143 6.6143 6.8743 6.8743 6.9206 6.9206 7.3952 7.3952 7.6707 7.6707 8.0794 8.0794 8.1873 8.1873 8.5194 8.5194 9.3326 9.3326 9.8517 9.8517 9.9794 9.9794 10.0377 10.0377 10.2701 10.2701 10.3028 10.3028 10.5759 10.5759 10.7705 10.7705 11.8358 11.8358 12.0270 12.0270 k = 0.4118 0.4118-0.0000 ( 9166 PWs) bands (ev): -1.9660 -1.9660 -1.5082 -1.5082 -1.5032 -1.5032 -1.1317 -1.1317 0.0934 0.0934 0.1691 0.1691 0.3209 0.3209 0.3595 0.3595 2.8218 2.8218 2.8361 2.8361 2.8630 2.8630 2.8797 2.8797 3.1585 3.1585 3.2518 3.2518 3.3422 3.3422 3.4132 3.4132 3.6822 3.6822 3.7727 3.7727 3.8199 3.8199 4.0126 4.0126 4.2501 4.2501 4.3286 4.3286 4.4102 4.4102 4.4462 4.4462 4.6693 4.6693 4.7183 4.7183 4.7692 4.7692 4.8098 4.8098 5.2525 5.2525 5.3582 5.3582 5.4122 5.4122 5.4900 5.4900 6.5557 6.5557 6.8217 6.8217 6.8796 6.8796 7.4544 7.4544 7.6115 7.6115 8.1096 8.1096 8.1887 8.1887 8.6015 8.6015 9.2220 9.2220 9.7975 9.7975 9.9864 9.9864 10.0318 10.0318 10.2404 10.2404 10.2810 10.2810 10.6753 10.6753 10.8454 10.8454 11.8157 11.8157 12.0489 12.0489 k = 0.3971 0.3971-0.0000 ( 9166 PWs) bands (ev): -2.0345 -2.0345 -1.4982 -1.4982 -1.4924 -1.4924 -1.0770 -1.0770 0.0826 0.0826 0.1665 0.1665 0.3449 0.3449 0.3802 0.3802 2.8175 2.8175 2.8375 2.8375 2.8660 2.8660 2.8850 2.8850 3.1438 3.1438 3.2521 3.2521 3.3576 3.3576 3.4269 3.4269 3.6787 3.6787 3.7782 3.7782 3.8147 3.8147 4.0278 4.0278 4.2351 4.2351 4.3211 4.3211 4.4109 4.4109 4.4560 4.4560 4.6550 4.6550 4.7134 4.7134 4.7771 4.7771 4.8194 4.8194 5.2272 5.2272 5.3455 5.3455 5.4112 5.4112 5.4903 5.4903 6.5080 6.5080 6.7603 6.7603 6.8400 6.8400 7.5069 7.5069 7.5619 7.5619 8.1068 8.1068 8.2039 8.2039 8.6783 8.6783 9.1233 9.1233 9.7266 9.7266 9.9896 9.9896 10.0540 10.0540 10.2053 10.2053 10.2657 10.2657 10.7693 10.7693 10.9163 10.9163 11.8007 11.8007 12.0664 12.0664 k = 0.3824 0.3824-0.0000 ( 9168 PWs) bands (ev): -2.1014 -2.1014 -1.4866 -1.4866 -1.4801 -1.4801 -1.0283 -1.0283 0.0763 0.0763 0.1653 0.1653 0.3691 0.3691 0.4018 0.4018 2.8129 2.8129 2.8399 2.8399 2.8687 2.8687 2.8908 2.8908 3.1300 3.1300 3.2537 3.2537 3.3737 3.3737 3.4380 3.4380 3.6764 3.6764 3.7798 3.7798 3.8151 3.8151 4.0405 4.0405 4.2197 4.2197 4.3143 4.3143 4.4101 4.4101 4.4661 4.4661 4.6399 4.6399 4.7083 4.7083 4.7857 4.7857 4.8291 4.8291 5.2021 5.2021 5.3282 5.3282 5.4113 5.4113 5.4875 5.4875 6.4710 6.4710 6.6940 6.6940 6.8017 6.8017 7.5096 7.5096 7.5648 7.5648 8.0672 8.0672 8.2294 8.2294 8.7440 8.7440 9.0462 9.0462 9.6489 9.6489 9.9803 9.9803 10.0895 10.0895 10.1686 10.1686 10.2699 10.2699 10.8561 10.8561 10.9822 10.9822 11.7899 11.7899 12.0686 12.0686 k = 0.3676 0.3676-0.0000 ( 9160 PWs) bands (ev): -2.1666 -2.1666 -1.4737 -1.4737 -1.4665 -1.4665 -0.9865 -0.9865 0.0749 0.0749 0.1656 0.1656 0.3908 0.3908 0.4270 0.4270 2.8079 2.8079 2.8433 2.8433 2.8709 2.8709 2.8973 2.8973 3.1172 3.1172 3.2565 3.2565 3.3902 3.3902 3.4466 3.4466 3.6752 3.6752 3.7781 3.7781 3.8200 3.8200 4.0500 4.0500 4.2036 4.2036 4.3092 4.3092 4.4078 4.4078 4.4760 4.4760 4.6241 4.6241 4.7031 4.7031 4.7946 4.7946 4.8393 4.8393 5.1777 5.1777 5.3049 5.3049 5.4140 5.4140 5.4830 5.4830 6.4429 6.4429 6.6264 6.6264 6.7652 6.7652 7.4756 7.4756 7.6059 7.6059 8.0079 8.0079 8.2432 8.2432 8.7835 8.7835 9.0094 9.0094 9.5689 9.5689 9.9586 9.9586 10.1043 10.1043 10.1481 10.1481 10.3067 10.3067 10.9345 10.9345 11.0433 11.0433 11.7820 11.7820 12.0613 12.0613 k = 0.3529 0.3529-0.0000 ( 9160 PWs) bands (ev): -2.2300 -2.2300 -1.4594 -1.4594 -1.4517 -1.4517 -0.9522 -0.9522 0.0786 0.0786 0.1674 0.1674 0.4082 0.4082 0.4581 0.4581 2.8025 2.8025 2.8474 2.8474 2.8727 2.8727 2.9047 2.9047 3.1053 3.1053 3.2602 3.2602 3.4069 3.4069 3.4528 3.4528 3.6750 3.6750 3.7756 3.7756 3.8266 3.8266 4.0555 4.0555 4.1870 4.1870 4.3062 4.3062 4.4041 4.4041 4.4855 4.4855 4.6079 4.6079 4.6981 4.6981 4.8027 4.8027 4.8505 4.8505 5.1544 5.1544 5.2753 5.2753 5.4203 5.4203 5.4783 5.4783 6.4203 6.4203 6.5602 6.5602 6.7319 6.7319 7.4476 7.4476 7.6391 7.6391 7.9362 7.9362 8.2380 8.2380 8.7836 8.7836 9.0266 9.0266 9.4893 9.4893 9.9198 9.9198 10.0837 10.0837 10.1666 10.1666 10.3705 10.3705 11.0029 11.0029 11.1013 11.1013 11.7760 11.7760 12.0547 12.0547 k = 0.3382 0.3382-0.0000 ( 9160 PWs) bands (ev): -2.2914 -2.2914 -1.4438 -1.4438 -1.4357 -1.4357 -0.9256 -0.9256 0.0873 0.0873 0.1706 0.1706 0.4216 0.4216 0.4949 0.4949 2.7968 2.7968 2.8518 2.8518 2.8738 2.8738 2.9132 2.9132 3.0944 3.0944 3.2645 3.2645 3.4231 3.4231 3.4576 3.4576 3.6753 3.6753 3.7735 3.7735 3.8330 3.8330 4.0568 4.0568 4.1699 4.1699 4.3053 4.3053 4.3991 4.3991 4.4939 4.4939 4.5921 4.5921 4.6935 4.6935 4.8091 4.8091 4.8633 4.8633 5.1331 5.1331 5.2409 5.2409 5.4311 5.4311 5.4742 5.4742 6.3978 6.3978 6.4981 6.4981 6.7038 6.7038 7.4269 7.4269 7.6577 7.6577 7.8565 7.8565 8.2171 8.2171 8.7631 8.7631 9.0726 9.0726 9.4129 9.4129 9.8636 9.8636 10.0653 10.0653 10.2030 10.2030 10.4425 10.4425 11.0599 11.0599 11.1597 11.1597 11.7717 11.7717 12.0552 12.0552 k = 0.3235 0.3235-0.0000 ( 9154 PWs) bands (ev): -2.3508 -2.3508 -1.4271 -1.4271 -1.4185 -1.4185 -0.9068 -0.9068 0.1005 0.1005 0.1751 0.1751 0.4320 0.4320 0.5367 0.5367 2.7906 2.7906 2.8562 2.8562 2.8745 2.8745 2.9229 2.9229 3.0844 3.0844 3.2692 3.2692 3.4374 3.4374 3.4630 3.4630 3.6759 3.6759 3.7721 3.7721 3.8379 3.8379 4.0542 4.0542 4.1525 4.1525 4.3053 4.3053 4.3931 4.3931 4.5009 4.5009 4.5778 4.5778 4.6895 4.6895 4.8128 4.8128 4.8777 4.8777 5.1141 5.1141 5.2040 5.2040 5.4463 5.4463 5.4719 5.4719 6.3688 6.3688 6.4433 6.4433 6.6831 6.6831 7.4131 7.4131 7.6546 7.6546 7.7728 7.7728 8.1912 8.1912 8.7399 8.7399 9.1147 9.1147 9.3454 9.3454 9.7935 9.7935 10.0614 10.0614 10.2530 10.2530 10.5068 10.5068 11.1077 11.1077 11.2214 11.2214 11.7710 11.7710 12.0658 12.0658 k = 0.3088 0.3088-0.0000 ( 9146 PWs) bands (ev): -2.4080 -2.4080 -1.4093 -1.4093 -1.4005 -1.4005 -0.8952 -0.8952 0.1172 0.1172 0.1810 0.1810 0.4401 0.4401 0.5831 0.5831 2.7842 2.7842 2.8600 2.8600 2.8747 2.8747 2.9339 2.9339 3.0753 3.0753 3.2738 3.2738 3.4466 3.4466 3.4724 3.4724 3.6762 3.6762 3.7715 3.7715 3.8404 3.8404 4.0486 4.0486 4.1351 4.1351 4.3041 4.3041 4.3872 4.3872 4.5061 4.5061 4.5664 4.5664 4.6863 4.6863 4.8135 4.8135 4.8931 4.8931 5.0978 5.0978 5.1676 5.1676 5.4606 5.4606 5.4770 5.4770 6.3290 6.3290 6.3977 6.3977 6.6706 6.6706 7.4046 7.4046 7.6236 7.6236 7.6894 7.6894 8.1720 8.1720 8.7173 8.7173 9.1260 9.1260 9.2998 9.2998 9.7132 9.7132 10.0780 10.0780 10.3154 10.3154 10.5514 10.5514 11.1526 11.1526 11.2868 11.2868 11.7778 11.7778 12.0861 12.0861 k = 0.2941 0.2941-0.0000 ( 9152 PWs) bands (ev): -2.4630 -2.4630 -1.3907 -1.3907 -1.3815 -1.3815 -0.8900 -0.8900 0.1365 0.1365 0.1882 0.1882 0.4461 0.4461 0.6340 0.6340 2.7775 2.7775 2.8627 2.8627 2.8745 2.8745 2.9458 2.9458 3.0672 3.0672 3.2780 3.2780 3.4504 3.4504 3.4865 3.4865 3.6758 3.6758 3.7714 3.7714 3.8401 3.8401 4.0416 4.0416 4.1179 4.1179 4.2988 4.2988 4.3835 4.3835 4.5092 4.5092 4.5588 4.5588 4.6840 4.6840 4.8113 4.8113 4.9086 4.9086 5.0840 5.0840 5.1350 5.1350 5.4633 5.4633 5.5006 5.5006 6.2819 6.2819 6.3569 6.3569 6.6650 6.6650 7.3975 7.3975 7.5664 7.5664 7.6101 7.6101 8.1645 8.1645 8.6950 8.6950 9.0924 9.0924 9.2828 9.2828 9.6249 9.6249 10.1192 10.1192 10.3882 10.3882 10.5693 10.5693 11.1995 11.1995 11.3553 11.3553 11.7964 11.7964 12.1137 12.1137 k = 0.2794 0.2794-0.0000 ( 9148 PWs) bands (ev): -2.5156 -2.5156 -1.3712 -1.3712 -1.3619 -1.3619 -0.8904 -0.8904 0.1572 0.1572 0.1969 0.1969 0.4502 0.4502 0.6891 0.6891 2.7707 2.7707 2.8640 2.8640 2.8739 2.8739 2.9580 2.9580 3.0603 3.0603 3.2817 3.2817 3.4519 3.4519 3.5021 3.5021 3.6741 3.6741 3.7714 3.7714 3.8369 3.8369 4.0345 4.0345 4.1013 4.1013 4.2871 4.2871 4.3838 4.3838 4.5108 4.5108 4.5547 4.5547 4.6828 4.6828 4.8063 4.8063 4.9230 4.9230 5.0712 5.0712 5.1103 5.1103 5.4637 5.4637 5.5333 5.5333 6.2339 6.2339 6.3160 6.3160 6.6634 6.6634 7.3786 7.3786 7.4974 7.4974 7.5405 7.5405 8.1665 8.1665 8.6728 8.6728 9.0336 9.0336 9.2730 9.2730 9.5301 9.5301 10.1855 10.1855 10.4694 10.4694 10.5613 10.5613 11.2471 11.2471 11.4264 11.4264 11.8295 11.8295 12.1459 12.1459 k = 0.2647 0.2647-0.0000 ( 9156 PWs) bands (ev): -2.5659 -2.5659 -1.3510 -1.3510 -1.3417 -1.3417 -0.8953 -0.8953 0.1780 0.1780 0.2071 0.2071 0.4527 0.4527 0.7481 0.7481 2.7637 2.7637 2.8639 2.8639 2.8729 2.8729 2.9692 2.9692 3.0550 3.0550 3.2845 3.2845 3.4524 3.4524 3.5172 3.5172 3.6709 3.6709 3.7712 3.7712 3.8318 3.8318 4.0279 4.0279 4.0861 4.0861 4.2698 4.2698 4.3879 4.3879 4.5119 4.5119 4.5529 4.5529 4.6828 4.6828 4.7992 4.7992 4.9349 4.9349 5.0581 5.0581 5.0968 5.0968 5.4647 5.4647 5.5715 5.5715 6.1885 6.1885 6.2732 6.2732 6.6621 6.6621 7.3272 7.3272 7.4153 7.4153 7.5108 7.5108 8.1726 8.1726 8.6508 8.6508 8.9681 8.9681 9.2548 9.2548 9.4304 9.4304 10.2735 10.2735 10.5267 10.5267 10.5651 10.5651 11.2900 11.2900 11.4993 11.4993 11.8769 11.8769 12.1813 12.1813 k = 0.2500 0.2500-0.0000 ( 9158 PWs) bands (ev): -2.6137 -2.6137 -1.3303 -1.3303 -1.3210 -1.3210 -0.9037 -0.9037 0.1976 0.1976 0.2195 0.2195 0.4536 0.4536 0.8105 0.8105 2.7565 2.7565 2.8624 2.8624 2.8711 2.8711 2.9778 2.9778 3.0520 3.0520 3.2865 3.2865 3.4522 3.4522 3.5300 3.5300 3.6664 3.6664 3.7702 3.7702 3.8267 3.8267 4.0214 4.0214 4.0739 4.0739 4.2490 4.2490 4.3945 4.3945 4.5129 4.5129 4.5523 4.5523 4.6842 4.6842 4.7908 4.7908 4.9432 4.9432 5.0478 5.0478 5.0930 5.0930 5.4668 5.4668 5.6132 5.6132 6.1478 6.1478 6.2288 6.2288 6.6580 6.6580 7.2504 7.2504 7.3212 7.3212 7.5195 7.5195 8.1782 8.1782 8.6289 8.6289 8.9030 8.9030 9.2256 9.2256 9.3278 9.3278 10.3777 10.3777 10.4886 10.4886 10.6592 10.6592 11.3243 11.3243 11.5720 11.5720 11.9331 11.9331 12.2210 12.2210 k = 0.2353 0.2353-0.0000 ( 9154 PWs) bands (ev): -2.6591 -2.6591 -1.3093 -1.3093 -1.3001 -1.3001 -0.9148 -0.9148 0.2147 0.2147 0.2348 0.2348 0.4531 0.4531 0.8757 0.8757 2.7493 2.7493 2.8597 2.8597 2.8684 2.8684 2.9822 2.9822 3.0518 3.0518 3.2879 3.2879 3.4506 3.4506 3.5387 3.5387 3.6617 3.6617 3.7681 3.7681 3.8239 3.8239 4.0138 4.0138 4.0666 4.0666 4.2269 4.2269 4.4026 4.4026 4.5141 4.5141 4.5526 4.5526 4.6870 4.6870 4.7824 4.7824 4.9472 4.9472 5.0438 5.0438 5.0953 5.0953 5.4700 5.4700 5.6556 5.6556 6.1141 6.1141 6.1833 6.1833 6.6486 6.6486 7.1645 7.1645 7.2243 7.2243 7.5455 7.5455 8.1804 8.1804 8.6062 8.6062 8.8413 8.8413 9.1818 9.1818 9.2297 9.2297 10.4402 10.4402 10.4940 10.4940 10.7636 10.7636 11.3494 11.3494 11.6418 11.6418 11.9868 11.9868 12.2691 12.2691 k = 0.2206 0.2206-0.0000 ( 9148 PWs) bands (ev): -2.7018 -2.7018 -1.2881 -1.2881 -1.2791 -1.2791 -0.9277 -0.9277 0.2294 0.2294 0.2522 0.2522 0.4515 0.4515 0.9433 0.9433 2.7421 2.7421 2.8555 2.8555 2.8647 2.8647 2.9819 2.9819 3.0537 3.0537 3.2888 3.2888 3.4464 3.4464 3.5412 3.5412 3.6584 3.6584 3.7664 3.7664 3.8246 3.8246 4.0051 4.0051 4.0646 4.0646 4.2057 4.2057 4.4117 4.4117 4.5150 4.5150 4.5540 4.5540 4.6912 4.6912 4.7749 4.7749 4.9477 4.9477 5.0467 5.0467 5.1018 5.1018 5.4746 5.4746 5.6941 5.6941 6.0908 6.0908 6.1373 6.1373 6.6320 6.6320 7.0753 7.0753 7.1303 7.1303 7.5808 7.5808 8.1780 8.1780 8.5810 8.5810 8.7853 8.7853 9.0994 9.0994 9.1647 9.1647 10.3917 10.3917 10.6152 10.6152 10.8757 10.8757 11.3667 11.3667 11.7050 11.7050 12.0250 12.0250 12.3302 12.3302 k = 0.2059 0.2059-0.0000 ( 9156 PWs) bands (ev): -2.7420 -2.7420 -1.2669 -1.2669 -1.2582 -1.2582 -0.9419 -0.9419 0.2430 0.2430 0.2701 0.2701 0.4489 0.4489 1.0124 1.0124 2.7348 2.7348 2.8491 2.8491 2.8608 2.8608 2.9775 2.9775 3.0559 3.0559 3.2893 3.2893 3.4385 3.4385 3.5362 3.5362 3.6574 3.6574 3.7678 3.7678 3.8285 3.8285 3.9960 3.9960 4.0667 4.0667 4.1871 4.1871 4.4215 4.4215 4.5155 4.5155 4.5567 4.5567 4.6965 4.6965 4.7689 4.7689 4.9466 4.9466 5.0549 5.0549 5.1115 5.1115 5.4804 5.4804 5.7226 5.7226 6.0819 6.0819 6.0912 6.0912 6.6069 6.6069 6.9846 6.9846 7.0428 7.0428 7.6219 7.6219 8.1713 8.1713 8.5511 8.5511 8.7358 8.7358 8.9976 8.9976 9.1182 9.1182 10.3445 10.3445 10.7396 10.7396 10.9957 10.9957 11.3782 11.3782 11.7574 11.7574 12.0411 12.0411 12.4009 12.4009 k = 0.1912 0.1912-0.0000 ( 9156 PWs) bands (ev): -2.7796 -2.7796 -1.2459 -1.2459 -1.2376 -1.2376 -0.9567 -0.9567 0.2562 0.2562 0.2876 0.2876 0.4455 0.4455 1.0824 1.0824 2.7275 2.7275 2.8399 2.8399 2.8570 2.8570 2.9704 2.9704 3.0564 3.0564 3.2898 3.2898 3.4266 3.4266 3.5236 3.5236 3.6583 3.6583 3.7742 3.7742 3.8351 3.8351 3.9872 3.9872 4.0717 4.0717 4.1730 4.1730 4.4320 4.4320 4.5160 4.5160 4.5610 4.5610 4.7029 4.7029 4.7646 4.7646 4.9457 4.9457 5.0669 5.0669 5.1238 5.1238 5.4875 5.4875 5.7352 5.7352 6.0446 6.0446 6.0911 6.0911 6.5730 6.5730 6.8957 6.8957 6.9624 6.9624 7.6664 7.6664 8.1610 8.1610 8.5153 8.5153 8.6913 8.6913 8.8987 8.8987 9.0733 9.0733 10.3013 10.3013 10.8643 10.8643 11.1234 11.1234 11.3857 11.3857 11.7943 11.7943 12.0365 12.0365 12.4519 12.4519 k = 0.1765 0.1765-0.0000 ( 9149 PWs) bands (ev): -2.8145 -2.8145 -1.2253 -1.2253 -1.2174 -1.2174 -0.9718 -0.9718 0.2692 0.2692 0.3041 0.3041 0.4416 0.4416 1.1528 1.1528 2.7202 2.7202 2.8281 2.8281 2.8533 2.8533 2.9613 2.9613 3.0539 3.0539 3.2902 3.2902 3.4112 3.4112 3.5047 3.5047 3.6602 3.6602 3.7854 3.7854 3.8446 3.8446 3.9791 3.9791 4.0789 4.0789 4.1650 4.1650 4.4432 4.4432 4.5169 4.5169 4.5665 4.5665 4.7100 4.7100 4.7620 4.7620 4.9458 4.9458 5.0818 5.0818 5.1382 5.1382 5.4958 5.4958 5.7312 5.7312 5.9990 5.9990 6.1145 6.1145 6.5307 6.5307 6.8135 6.8135 6.8879 6.8879 7.7123 7.7123 8.1485 8.1485 8.4743 8.4743 8.6460 8.6460 8.8111 8.8111 9.0285 9.0285 10.2635 10.2635 10.9871 10.9871 11.2579 11.2579 11.3908 11.3908 11.8127 11.8127 12.0149 12.0149 12.4577 12.4577 k = 0.1618 0.1618-0.0000 ( 9141 PWs) bands (ev): -2.8467 -2.8467 -1.2054 -1.2054 -1.1978 -1.1978 -0.9867 -0.9867 0.2819 0.2819 0.3196 0.3196 0.4372 0.4372 1.2228 1.2228 2.7129 2.7129 2.8137 2.8137 2.8497 2.8497 2.9507 2.9507 3.0480 3.0480 3.2907 3.2907 3.3938 3.3938 3.4812 3.4812 3.6611 3.6611 3.8001 3.8001 3.8572 3.8572 3.9718 3.9718 4.0883 4.0883 4.1639 4.1639 4.4551 4.4551 4.5185 4.5185 4.5732 4.5732 4.7176 4.7176 4.7609 4.7609 4.9473 4.9473 5.0996 5.0996 5.1544 5.1544 5.5049 5.5049 5.7148 5.7148 5.9543 5.9543 6.1420 6.1420 6.4814 6.4814 6.7439 6.7439 6.8182 6.8182 7.7580 7.7580 8.1350 8.1350 8.4300 8.4300 8.5912 8.5912 8.7437 8.7437 8.9837 8.9837 10.2321 10.2321 11.1057 11.1057 11.3860 11.3860 11.4067 11.4067 11.8136 11.8136 11.9797 11.9797 12.4687 12.4687 k = 0.1471 0.1471-0.0000 ( 9151 PWs) bands (ev): -2.8763 -2.8763 -1.1863 -1.1863 -1.1790 -1.1790 -1.0011 -1.0011 0.2941 0.2941 0.3340 0.3340 0.4327 0.4327 1.2918 1.2918 2.7054 2.7054 2.7971 2.7971 2.8461 2.8461 2.9388 2.9388 3.0388 3.0388 3.2910 3.2910 3.3761 3.3761 3.4552 3.4552 3.6586 3.6586 3.8170 3.8170 3.8725 3.8725 3.9657 3.9657 4.1005 4.1005 4.1688 4.1688 4.4678 4.4678 4.5210 4.5210 4.5811 4.5811 4.7254 4.7254 4.7610 4.7610 4.9505 4.9505 5.1201 5.1201 5.1723 5.1723 5.5141 5.5141 5.6916 5.6916 5.9111 5.9111 6.1597 6.1597 6.4275 6.4275 6.6903 6.6903 6.7564 6.7564 7.8016 7.8016 8.1215 8.1215 8.3843 8.3843 8.5245 8.5245 8.6990 8.6990 8.9389 8.9389 10.2075 10.2075 11.2154 11.2154 11.3969 11.3969 11.5441 11.5441 11.8042 11.8042 11.9342 11.9342 12.4916 12.4916 k = 0.1324 0.1324-0.0000 ( 9149 PWs) bands (ev): -2.9030 -2.9030 -1.1682 -1.1682 -1.1613 -1.1613 -1.0148 -1.0148 0.3057 0.3057 0.3472 0.3472 0.4282 0.4282 1.3591 1.3591 2.6979 2.6979 2.7788 2.7788 2.8426 2.8426 2.9257 2.9257 3.0270 3.0270 3.2912 3.2912 3.3592 3.3592 3.4284 3.4284 3.6515 3.6515 3.8351 3.8351 3.8896 3.8896 3.9612 3.9612 4.1161 4.1161 4.1786 4.1786 4.4809 4.4809 4.5244 4.5244 4.5902 4.5902 4.7334 4.7334 4.7620 4.7620 4.9553 4.9553 5.1436 5.1436 5.1918 5.1918 5.5215 5.5215 5.6671 5.6671 5.8701 5.8701 6.1550 6.1550 6.3716 6.3716 6.6386 6.6386 6.7225 6.7225 7.8418 7.8418 8.1088 8.1088 8.3381 8.3381 8.4544 8.4544 8.6695 8.6695 8.8940 8.8940 10.1901 10.1901 11.3034 11.3034 11.4081 11.4081 11.6864 11.6864 11.7976 11.7976 11.8848 11.8848 12.5226 12.5226 k = 0.1176 0.1176-0.0000 ( 9145 PWs) bands (ev): -2.9270 -2.9270 -1.1514 -1.1514 -1.1448 -1.1448 -1.0275 -1.0275 0.3162 0.3162 0.3594 0.3594 0.4240 0.4240 1.4241 1.4241 2.6904 2.6904 2.7591 2.7591 2.8392 2.8392 2.9114 2.9114 3.0136 3.0136 3.2913 3.2913 3.3440 3.3440 3.4024 3.4024 3.6404 3.6404 3.8534 3.8534 3.9066 3.9066 3.9585 3.9585 4.1353 4.1353 4.1915 4.1915 4.4941 4.4941 4.5285 4.5285 4.6008 4.6008 4.7412 4.7412 4.7637 4.7637 4.9618 4.9618 5.1701 5.1701 5.2128 5.2128 5.5232 5.5232 5.6474 5.6474 5.8322 5.8322 6.1244 6.1244 6.3157 6.3157 6.5709 6.5709 6.7340 6.7340 7.8774 7.8774 8.0972 8.0972 8.2921 8.2921 8.3884 8.3884 8.6487 8.6487 8.8491 8.8491 10.1798 10.1798 11.3469 11.3469 11.4359 11.4359 11.7757 11.7757 11.8163 11.8163 11.8806 11.8806 12.5570 12.5570 k = 0.1029 0.1029-0.0000 ( 9125 PWs) bands (ev): -2.9482 -2.9482 -1.1361 -1.1361 -1.1297 -1.1297 -1.0390 -1.0390 0.3254 0.3254 0.3705 0.3705 0.4203 0.4203 1.4858 1.4858 2.6827 2.6827 2.7389 2.7389 2.8358 2.8358 2.8963 2.8963 2.9994 2.9994 3.2912 3.2912 3.3308 3.3308 3.3779 3.3779 3.6268 3.6268 3.8708 3.8708 3.9222 3.9222 3.9575 3.9575 4.1575 4.1575 4.2062 4.2062 4.5069 4.5069 4.5331 4.5331 4.6133 4.6133 4.7487 4.7487 4.7659 4.7659 4.9698 4.9698 5.1994 5.1994 5.2351 5.2351 5.5140 5.5140 5.6392 5.6392 5.7987 5.7987 6.0751 6.0751 6.2605 6.2605 6.4935 6.4935 6.7758 6.7758 7.9077 7.9077 8.0869 8.0869 8.2473 8.2473 8.3301 8.3301 8.6335 8.6335 8.8047 8.8047 10.1763 10.1763 11.3559 11.3559 11.4575 11.4575 11.7386 11.7386 11.8666 11.8666 12.0067 12.0067 12.5913 12.5913 k = 0.0882 0.0882-0.0000 ( 9137 PWs) bands (ev): -2.9667 -2.9667 -1.1224 -1.1224 -1.1162 -1.1162 -1.0492 -1.0492 0.3332 0.3332 0.3806 0.3806 0.4171 0.4171 1.5433 1.5433 2.6751 2.6751 2.7189 2.7189 2.8326 2.8326 2.8807 2.8807 2.9856 2.9856 3.2910 3.2910 3.3196 3.3196 3.3558 3.3558 3.6123 3.6123 3.8864 3.8864 3.9356 3.9356 3.9578 3.9578 4.1814 4.1814 4.2213 4.2213 4.5188 4.5188 4.5377 4.5377 4.6276 4.6276 4.7557 4.7557 4.7683 4.7683 4.9792 4.9792 5.2310 5.2310 5.2587 5.2587 5.4933 5.4933 5.6442 5.6442 5.7713 5.7713 6.0168 6.0168 6.2063 6.2063 6.4109 6.4109 6.8329 6.8329 7.9326 7.9326 8.0777 8.0777 8.2052 8.2052 8.2796 8.2796 8.6228 8.6228 8.7614 8.7614 10.1788 10.1788 11.3540 11.3540 11.4534 11.4534 11.6834 11.6834 11.9522 11.9522 12.1498 12.1498 12.6234 12.6234 k = 0.0735 0.0735-0.0000 ( 9145 PWs) bands (ev): -2.9823 -2.9823 -1.1106 -1.1106 -1.1045 -1.1045 -1.0580 -1.0580 0.3394 0.3394 0.3894 0.3894 0.4148 0.4148 1.5956 1.5956 2.6677 2.6677 2.6997 2.6997 2.8297 2.8297 2.8653 2.8653 2.9729 2.9729 3.2907 3.2907 3.3106 3.3106 3.3364 3.3364 3.5985 3.5985 3.8996 3.8996 3.9464 3.9464 3.9593 3.9593 4.2053 4.2053 4.2356 4.2356 4.5293 4.5293 4.5422 4.5422 4.6435 4.6435 4.7620 4.7620 4.7708 4.7708 4.9897 4.9897 5.2630 5.2630 5.2834 5.2834 5.4662 5.4662 5.6579 5.6579 5.7522 5.7522 5.9568 5.9568 6.1542 6.1542 6.3252 6.3252 6.8957 6.8957 7.9529 7.9529 8.0690 8.0690 8.1678 8.1678 8.2361 8.2361 8.6158 8.6158 8.7206 8.7206 10.1862 10.1862 11.3481 11.3481 11.4318 11.4318 11.6322 11.6322 12.0566 12.0566 12.2897 12.2897 12.6524 12.6524 k = 0.0588 0.0588-0.0000 ( 9123 PWs) bands (ev): -2.9950 -2.9950 -1.1007 -1.1007 -1.0948 -1.0948 -1.0651 -1.0651 0.3439 0.3439 0.3970 0.3970 0.4131 0.4131 1.6412 1.6412 2.6607 2.6607 2.6822 2.6822 2.8270 2.8270 2.8511 2.8511 2.9619 2.9619 3.2903 3.2903 3.3035 3.3035 3.3202 3.3202 3.5863 3.5863 3.9100 3.9100 3.9547 3.9547 3.9614 3.9614 4.2276 4.2276 4.2483 4.2483 4.5380 4.5380 4.5462 4.5462 4.6599 4.6599 4.7675 4.7675 4.7731 4.7731 5.0007 5.0007 5.2925 5.2925 5.3093 5.3093 5.4378 5.4378 5.6760 5.6760 5.7441 5.7441 5.9002 5.9002 6.1052 6.1052 6.2386 6.2386 6.9572 6.9572 7.9696 7.9696 8.0603 8.0603 8.1359 8.1359 8.1989 8.1989 8.6118 8.6118 8.6838 8.6838 10.1968 10.1968 11.3404 11.3404 11.4022 11.4022 11.5903 11.5903 12.1656 12.1656 12.4212 12.4212 12.6782 12.6782 k = 0.0441 0.0441-0.0000 ( 9105 PWs) bands (ev): -3.0050 -3.0050 -1.0929 -1.0929 -1.0876 -1.0876 -1.0702 -1.0702 0.3471 0.3471 0.4032 0.4032 0.4122 0.4122 1.6790 1.6790 2.6547 2.6547 2.6672 2.6672 2.8247 2.8247 2.8388 2.8388 2.9530 2.9530 3.2899 3.2899 3.2982 3.2982 3.3074 3.3074 3.5763 3.5763 3.9176 3.9176 3.9608 3.9608 3.9639 3.9639 4.2464 4.2464 4.2588 4.2588 4.5448 4.5448 4.5494 4.5494 4.6753 4.6753 4.7720 4.7720 4.7752 4.7752 5.0114 5.0114 5.3169 5.3169 5.3348 5.3348 5.4118 5.4118 5.6965 5.6965 5.7481 5.7481 5.8512 5.8512 6.0609 6.0609 6.1541 6.1541 7.0121 7.0121 7.9846 7.9846 8.0514 8.0514 8.1085 8.1085 8.1693 8.1693 8.6099 8.6099 8.6527 8.6527 10.2088 10.2088 11.3323 11.3323 11.3710 11.3710 11.5596 11.5596 12.2692 12.2692 12.5382 12.5382 12.7019 12.7019 k = 0.0294 0.0294-0.0000 ( 9093 PWs) bands (ev): -3.0121 -3.0121 -1.0872 -1.0872 -1.0835 -1.0835 -1.0728 -1.0728 0.3491 0.3491 0.4077 0.4077 0.4117 0.4117 1.7073 1.7073 2.6499 2.6499 2.6557 2.6557 2.8230 2.8230 2.8294 2.8294 2.9466 2.9466 3.2893 3.2893 3.2946 3.2946 3.2984 3.2984 3.5691 3.5691 3.9226 3.9226 3.9650 3.9650 3.9661 3.9661 4.2608 4.2608 4.2665 4.2665 4.5498 4.5498 4.5518 4.5518 4.6880 4.6880 4.7754 4.7754 4.7768 4.7768 5.0207 5.0207 5.3351 5.3351 5.3558 5.3558 5.3910 5.3910 5.7179 5.7179 5.7618 5.7618 5.8147 5.8147 6.0238 6.0238 6.0763 6.0763 7.0557 7.0557 7.9996 7.9996 8.0433 8.0433 8.0830 8.0830 8.1488 8.1488 8.6093 8.6093 8.6291 8.6291 10.2197 10.2197 11.3252 11.3252 11.3438 11.3438 11.5394 11.5394 12.3572 12.3572 12.6312 12.6312 12.7258 12.7258 k = 0.0147 0.0147-0.0000 ( 9089 PWs) bands (ev): -3.0164 -3.0164 -1.0838 -1.0838 -1.0826 -1.0826 -1.0728 -1.0728 0.3502 0.3502 0.4105 0.4105 0.4115 0.4115 1.7250 1.7250 2.6468 2.6468 2.6483 2.6483 2.8219 2.8219 2.8236 2.8236 2.9426 2.9426 3.2883 3.2883 3.2926 3.2926 3.2934 3.2934 3.5646 3.5646 3.9255 3.9255 3.9674 3.9674 3.9677 3.9677 4.2697 4.2697 4.2711 4.2711 4.5528 4.5528 4.5533 4.5533 4.6964 4.6964 4.7775 4.7775 4.7779 4.7779 5.0272 5.0272 5.3459 5.3459 5.3695 5.3695 5.3781 5.3781 5.7327 5.7327 5.7810 5.7810 5.7961 5.7961 5.9977 5.9977 6.0143 6.0143 7.0838 7.0838 8.0162 8.0162 8.0376 8.0376 8.0583 8.0583 8.1378 8.1378 8.6092 8.6092 8.6143 8.6143 10.2274 10.2274 11.3204 11.3204 11.3252 11.3252 11.5282 11.5282 12.4179 12.4179 12.6884 12.6884 12.7517 12.7517 k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -3.0178 -3.0178 -1.0827 -1.0827 -1.0827 -1.0827 -1.0724 -1.0724 0.3505 0.3505 0.4114 0.4114 0.4114 0.4114 1.7310 1.7310 2.6457 2.6457 2.6457 2.6457 2.8215 2.8215 2.8215 2.8215 2.9413 2.9413 3.2877 3.2877 3.2920 3.2920 3.2920 3.2920 3.5632 3.5632 3.9264 3.9264 3.9682 3.9682 3.9682 3.9682 4.2727 4.2727 4.2727 4.2727 4.5538 4.5538 4.5538 4.5538 4.6993 4.6993 4.7782 4.7782 4.7782 4.7782 5.0295 5.0295 5.3491 5.3491 5.3742 5.3742 5.3742 5.3742 5.7358 5.7358 5.7927 5.7927 5.7927 5.7927 5.9880 5.9880 5.9880 5.9880 7.0935 7.0935 8.0356 8.0356 8.0356 8.0356 8.0359 8.0359 8.1344 8.1344 8.6093 8.6093 8.6093 8.6093 10.2301 10.2301 11.3187 11.3187 11.3187 11.3187 11.5247 11.5247 12.4398 12.4399 12.7075 12.7075 12.7653 12.7653 k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -3.0178 -3.0178 -1.0827 -1.0827 -1.0827 -1.0827 -1.0724 -1.0724 0.3505 0.3505 0.4114 0.4114 0.4114 0.4114 1.7310 1.7310 2.6457 2.6457 2.6457 2.6457 2.8215 2.8215 2.8215 2.8215 2.9413 2.9413 3.2877 3.2877 3.2920 3.2920 3.2920 3.2920 3.5632 3.5632 3.9264 3.9264 3.9682 3.9682 3.9682 3.9682 4.2727 4.2727 4.2727 4.2727 4.5538 4.5538 4.5538 4.5538 4.6993 4.6993 4.7782 4.7782 4.7782 4.7782 5.0295 5.0295 5.3491 5.3491 5.3742 5.3742 5.3742 5.3742 5.7358 5.7358 5.7927 5.7927 5.7927 5.7927 5.9880 5.9880 5.9880 5.9880 7.0935 7.0935 8.0356 8.0356 8.0356 8.0356 8.0359 8.0359 8.1344 8.1344 8.6093 8.6093 8.6093 8.6093 10.2301 10.2301 11.3187 11.3187 11.3187 11.3187 11.5247 11.5247 12.4398 12.4398 12.7075 12.7075 12.7653 12.7653 k = 0.0122 0.0122 0.0122 ( 9087 PWs) bands (ev): -3.0163 -3.0163 -1.0832 -1.0832 -1.0831 -1.0831 -1.0729 -1.0729 0.3501 0.3501 0.4104 0.4104 0.4115 0.4115 1.7248 1.7248 2.6470 2.6470 2.6482 2.6482 2.8219 2.8219 2.8236 2.8236 2.9427 2.9427 3.2884 3.2884 3.2929 3.2929 3.2932 3.2932 3.5647 3.5647 3.9255 3.9255 3.9674 3.9674 3.9676 3.9676 4.2699 4.2699 4.2708 4.2708 4.5530 4.5530 4.5531 4.5531 4.6963 4.6963 4.7776 4.7776 4.7777 4.7777 5.0271 5.0271 5.3458 5.3458 5.3688 5.3688 5.3787 5.3787 5.7339 5.7339 5.7841 5.7841 5.7910 5.7910 6.0050 6.0050 6.0087 6.0087 7.0835 7.0835 8.0164 8.0164 8.0372 8.0372 8.0588 8.0588 8.1379 8.1379 8.6107 8.6107 8.6129 8.6129 10.2273 10.2273 11.3202 11.3202 11.3257 11.3257 11.5284 11.5284 12.4176 12.4176 12.6880 12.6880 12.7487 12.7487 k = 0.0244 0.0244 0.0244 ( 9102 PWs) bands (ev): -3.0119 -3.0119 -1.0850 -1.0850 -1.0842 -1.0842 -1.0744 -1.0744 0.3490 0.3490 0.4074 0.4074 0.4119 0.4119 1.7066 1.7066 2.6506 2.6506 2.6554 2.6554 2.8231 2.8231 2.8296 2.8296 2.9467 2.9467 3.2893 3.2893 3.2955 3.2955 3.2978 3.2978 3.5693 3.5693 3.9225 3.9225 3.9651 3.9651 3.9658 3.9658 4.2615 4.2615 4.2652 4.2652 4.5506 4.5506 4.5509 4.5509 4.6876 4.6876 4.7760 4.7760 4.7761 4.7761 5.0206 5.0206 5.3344 5.3344 5.3531 5.3531 5.3929 5.3929 5.7297 5.7297 5.7689 5.7689 5.7914 5.7914 6.0486 6.0486 6.0599 6.0599 7.0544 7.0544 8.0012 8.0012 8.0421 8.0421 8.0828 8.0828 8.1498 8.1498 8.6152 8.6152 8.6237 8.6237 10.2196 10.2196 11.3246 11.3246 11.3448 11.3448 11.5402 11.5402 12.3593 12.3593 12.6356 12.6356 12.7018 12.7018 k = 0.0366 0.0366 0.0366 ( 9114 PWs) bands (ev): -3.0046 -3.0046 -1.0879 -1.0879 -1.0862 -1.0862 -1.0769 -1.0769 0.3469 0.3469 0.4023 0.4023 0.4127 0.4127 1.6774 1.6774 2.6564 2.6564 2.6666 2.6666 2.8251 2.8251 2.8391 2.8391 2.9534 2.9534 3.2901 3.2901 3.2999 3.2999 3.3062 3.3062 3.5767 3.5767 3.9174 3.9174 3.9616 3.9616 3.9625 3.9625 4.2482 4.2482 4.2559 4.2559 4.5467 4.5467 4.5471 4.5471 4.6741 4.6741 4.7734 4.7734 4.7736 4.7736 5.0112 5.0112 5.3149 5.3149 5.3285 5.3285 5.4151 5.4151 5.7283 5.7283 5.7600 5.7600 5.7988 5.7988 6.1073 6.1073 6.1266 6.1266 7.0092 7.0092 7.9900 7.9900 8.0502 8.0502 8.1041 8.1041 8.1728 8.1728 8.6230 8.6230 8.6406 8.6406 10.2089 10.2089 11.3319 11.3319 11.3710 11.3710 11.5620 11.5620 12.2797 12.2797 12.5581 12.5581 12.6305 12.6305 k = 0.0488 0.0488 0.0488 ( 9132 PWs) bands (ev): -2.9943 -2.9943 -1.0920 -1.0920 -1.0889 -1.0889 -1.0803 -1.0803 0.3434 0.3434 0.3953 0.3953 0.4143 0.4143 1.6385 1.6385 2.6640 2.6640 2.6808 2.6808 2.8280 2.8280 2.8512 2.8512 2.9625 2.9625 3.2908 3.2908 3.3063 3.3063 3.3181 3.3181 3.5870 3.5870 3.9100 3.9100 3.9573 3.9573 3.9577 3.9577 4.2308 4.2308 4.2432 4.2432 4.5416 4.5416 4.5417 4.5417 4.6573 4.6573 4.7700 4.7700 4.7704 4.7704 5.0006 5.0006 5.2892 5.2892 5.2977 5.2977 5.4421 5.4421 5.7345 5.7345 5.7623 5.7623 5.8123 5.8123 6.1734 6.1734 6.2006 6.2006 6.9520 6.9520 7.9818 7.9818 8.0614 8.0614 8.1213 8.1213 8.2076 8.2076 8.6345 8.6345 8.6624 8.6624 10.1981 10.1981 11.3418 11.3418 11.3976 11.3976 11.5954 11.5954 12.1906 12.1906 12.4627 12.4627 12.5414 12.5414 k = 0.0610 0.0610 0.0610 ( 9129 PWs) bands (ev): -2.9811 -2.9811 -1.0971 -1.0971 -1.0923 -1.0923 -1.0844 -1.0844 0.3382 0.3382 0.3864 0.3864 0.4168 0.4168 1.5915 1.5915 2.6729 2.6729 2.6973 2.6973 2.8318 2.8318 2.8650 2.8650 2.9739 2.9739 3.2918 3.2918 3.3147 3.3147 3.3330 3.3330 3.5995 3.5995 3.9003 3.9003 3.9508 3.9508 3.9526 3.9526 4.2107 4.2107 4.2277 4.2277 4.5346 4.5346 4.5353 4.5353 4.6387 4.6387 4.7661 4.7661 4.7665 4.7665 4.9899 4.9899 5.2603 5.2603 5.2645 5.2645 5.4712 5.4712 5.7496 5.7496 5.7758 5.7758 5.8297 5.8297 6.2425 6.2425 6.2777 6.2777 6.8875 6.8875 7.9755 7.9755 8.0754 8.0754 8.1364 8.1364 8.2516 8.2516 8.6505 8.6505 8.6875 8.6875 10.1897 10.1897 11.3542 11.3542 11.4196 11.4196 11.6372 11.6372 12.1021 12.1021 12.3555 12.3555 12.4396 12.4396 k = 0.0732 0.0732 0.0732 ( 9153 PWs) bands (ev): -2.9650 -2.9650 -1.1033 -1.1033 -1.0963 -1.0963 -1.0892 -1.0892 0.3311 0.3311 0.3756 0.3756 0.4202 0.4202 1.5377 1.5377 2.6826 2.6826 2.7151 2.7151 2.8364 2.8364 2.8794 2.8794 2.9872 2.9872 3.2932 3.2932 3.3253 3.3253 3.3506 3.3506 3.6135 3.6135 3.8889 3.8889 3.9413 3.9413 3.9475 3.9475 4.1892 4.1892 4.2101 4.2101 4.5255 4.5255 4.5284 4.5284 4.6197 4.6197 4.7620 4.7620 4.7624 4.7624 4.9797 4.9797 5.2309 5.2309 5.2317 5.2317 5.5005 5.5005 5.7724 5.7724 5.7989 5.7989 5.8485 5.8485 6.3114 6.3114 6.3548 6.3548 6.8207 6.8207 7.9703 7.9703 8.0917 8.0917 8.1510 8.1510 8.3030 8.3030 8.6719 8.6719 8.7148 8.7148 10.1857 10.1857 11.3685 11.3685 11.4357 11.4357 11.6747 11.6747 12.0276 12.0276 12.2412 12.2412 12.3291 12.3291 k = 0.0854 0.0854 0.0854 ( 9153 PWs) bands (ev): -2.9460 -2.9460 -1.1104 -1.1104 -1.1008 -1.1008 -1.0945 -1.0945 0.3222 0.3222 0.3630 0.3630 0.4245 0.4245 1.4785 1.4785 2.6925 2.6925 2.7337 2.7337 2.8420 2.8420 2.8938 2.8938 3.0016 3.0016 3.2950 3.2950 3.3382 3.3382 3.3705 3.3705 3.6278 3.6278 3.8767 3.8767 3.9285 3.9285 3.9420 3.9420 4.1680 4.1680 4.1918 4.1918 4.5146 4.5146 4.5210 4.5210 4.6016 4.6016 4.7578 4.7578 4.7583 4.7583 4.9706 4.9706 5.2019 5.2019 5.2030 5.2030 5.5289 5.5289 5.8006 5.8006 5.8302 5.8302 5.8663 5.8663 6.3781 6.3781 6.4301 6.4301 6.7573 6.7573 7.9653 7.9653 8.1098 8.1098 8.1654 8.1654 8.3615 8.3615 8.6999 8.6999 8.7435 8.7435 10.1875 10.1875 11.3842 11.3842 11.4456 11.4456 11.6836 11.6836 11.9875 11.9875 12.1258 12.1258 12.2127 12.2127 k = 0.0976 0.0976 0.0976 ( 9147 PWs) bands (ev): -2.9241 -2.9241 -1.1183 -1.1183 -1.1059 -1.1059 -1.1003 -1.1003 0.3113 0.3113 0.3486 0.3486 0.4295 0.4295 1.4149 1.4149 2.7021 2.7021 2.7523 2.7523 2.8482 2.8482 2.9074 2.9074 3.0163 3.0163 3.2976 3.2976 3.3534 3.3534 3.3921 3.3921 3.6404 3.6404 3.8655 3.8655 3.9116 3.9116 3.9361 3.9361 4.1492 4.1492 4.1742 4.1742 4.5021 4.5021 4.5135 4.5135 4.5852 4.5852 4.7539 4.7539 4.7544 4.7544 4.9626 4.9626 5.1765 5.1765 5.1781 5.1781 5.5561 5.5561 5.8281 5.8281 5.8681 5.8681 5.8832 5.8832 6.4404 6.4404 6.5018 6.5018 6.7032 6.7032 7.9599 7.9599 8.1290 8.1290 8.1793 8.1793 8.4271 8.4271 8.7356 8.7356 8.7733 8.7733 10.1953 10.1953 11.4007 11.4007 11.4473 11.4473 11.6500 11.6500 11.9612 11.9612 12.0458 12.0458 12.0929 12.0929 k = 0.1098 0.1098 0.1098 ( 9162 PWs) bands (ev): -2.8993 -2.8993 -1.1267 -1.1267 -1.1113 -1.1113 -1.1065 -1.1065 0.2985 0.2985 0.3325 0.3325 0.4350 0.4350 1.3480 1.3480 2.7109 2.7109 2.7705 2.7705 2.8549 2.8549 2.9201 2.9201 3.0301 3.0301 3.3012 3.3012 3.3708 3.3708 3.4150 3.4150 3.6491 3.6491 3.8566 3.8566 3.8901 3.8901 3.9300 3.9300 4.1346 4.1346 4.1591 4.1591 4.4889 4.4889 4.5063 4.5063 4.5707 4.5707 4.7504 4.7504 4.7511 4.7511 4.9561 4.9561 5.1561 5.1561 5.1567 5.1567 5.5821 5.5821 5.8396 5.8396 5.9094 5.9094 5.9117 5.9117 6.4962 6.4962 6.5687 6.5687 6.6646 6.6646 7.9536 7.9536 8.1482 8.1482 8.1920 8.1920 8.4998 8.4998 8.7803 8.7803 8.8052 8.8052 10.2084 10.2084 11.4165 11.4165 11.4346 11.4346 11.5983 11.5983 11.8592 11.8592 11.9718 11.9718 12.0721 12.0721 k = 0.1220 0.1220 0.1220 ( 9159 PWs) bands (ev): -2.8717 -2.8717 -1.1355 -1.1355 -1.1169 -1.1169 -1.1129 -1.1129 0.2840 0.2840 0.3148 0.3148 0.4405 0.4405 1.2784 1.2784 2.7188 2.7188 2.7877 2.7877 2.8618 2.8618 2.9316 2.9316 3.0418 3.0418 3.3060 3.3060 3.3900 3.3900 3.4384 3.4384 3.6521 3.6521 3.8505 3.8505 3.8641 3.8641 3.9246 3.9246 4.1261 4.1261 4.1477 4.1477 4.4759 4.4759 4.4995 4.4995 4.5580 4.5580 4.7475 4.7475 4.7486 4.7486 4.9510 4.9510 5.1390 5.1390 5.1412 5.1412 5.6071 5.6071 5.8259 5.8259 5.9501 5.9501 5.9601 5.9601 6.5420 6.5420 6.6300 6.6300 6.6476 6.6476 7.9458 7.9458 8.1667 8.1667 8.2028 8.2028 8.5790 8.5790 8.8351 8.8351 8.8405 8.8405 10.2249 10.2249 11.3982 11.3982 11.4293 11.4293 11.5555 11.5555 11.7443 11.7443 11.8524 11.8524 12.1231 12.1231 k = 0.1341 0.1341 0.1341 ( 9159 PWs) bands (ev): -2.8412 -2.8412 -1.1446 -1.1446 -1.1228 -1.1228 -1.1195 -1.1195 0.2677 0.2677 0.2955 0.2955 0.4458 0.4458 1.2068 1.2068 2.7255 2.7255 2.8034 2.8034 2.8683 2.8683 2.9418 2.9418 3.0505 3.0505 3.3121 3.3121 3.4102 3.4102 3.4612 3.4612 3.6491 3.6491 3.8347 3.8347 3.8458 3.8458 3.9225 3.9225 4.1247 4.1247 4.1409 4.1409 4.4640 4.4640 4.4934 4.4934 4.5470 4.5470 4.7454 4.7454 4.7472 4.7472 4.9473 4.9473 5.1250 5.1250 5.1317 5.1317 5.6315 5.6315 5.7934 5.7934 5.9989 5.9989 6.0127 6.0127 6.5739 6.5739 6.6561 6.6561 6.6850 6.6850 7.9362 7.9362 8.1836 8.1836 8.2110 8.2110 8.6634 8.6634 8.8817 8.8817 8.9007 8.9007 10.2419 10.2419 11.3429 11.3429 11.4337 11.4337 11.5139 11.5139 11.6465 11.6465 11.7404 11.7404 12.1712 12.1712 k = 0.1463 0.1463 0.1463 ( 9171 PWs) bands (ev): -2.8079 -2.8079 -1.1538 -1.1538 -1.1287 -1.1287 -1.1261 -1.1261 0.2497 0.2497 0.2746 0.2746 0.4506 0.4506 1.1337 1.1337 2.7311 2.7311 2.8172 2.8172 2.8741 2.8741 2.9503 2.9503 3.0558 3.0558 3.3193 3.3193 3.4300 3.4300 3.4822 3.4822 3.6417 3.6417 3.8038 3.8038 3.8394 3.8394 3.9269 3.9269 4.1301 4.1301 4.1387 4.1387 4.4534 4.4534 4.4882 4.4882 4.5379 4.5379 4.7442 4.7442 4.7472 4.7472 4.9451 4.9451 5.1144 5.1144 5.1276 5.1276 5.6545 5.6545 5.7497 5.7497 6.0523 6.0523 6.0689 6.0689 6.5969 6.5969 6.6825 6.6825 6.7335 6.7335 7.9246 7.9246 8.1985 8.1985 8.2162 8.2162 8.7498 8.7498 8.9322 8.9322 8.9773 8.9773 10.2560 10.2560 11.2844 11.2844 11.4155 11.4155 11.4342 11.4342 11.5978 11.5978 11.6497 11.6497 12.2081 12.2081 k = 0.1585 0.1585 0.1585 ( 9168 PWs) bands (ev): -2.7718 -2.7718 -1.1629 -1.1629 -1.1347 -1.1347 -1.1328 -1.1328 0.2301 0.2301 0.2523 0.2523 0.4545 0.4545 1.0597 1.0597 2.7356 2.7356 2.8289 2.8289 2.8789 2.8789 2.9565 2.9565 3.0579 3.0579 3.3268 3.3268 3.4472 3.4472 3.4993 3.4993 3.6330 3.6330 3.7744 3.7744 3.8305 3.8305 3.9387 3.9387 4.1409 4.1409 4.1412 4.1412 4.4440 4.4440 4.4839 4.4839 4.5315 4.5315 4.7438 4.7438 4.7486 4.7486 4.9443 4.9443 5.1071 5.1071 5.1288 5.1288 5.6651 5.6651 5.7123 5.7123 6.1091 6.1091 6.1283 6.1283 6.6201 6.6201 6.7134 6.7134 6.7756 6.7756 7.9109 7.9109 8.2111 8.2111 8.2183 8.2183 8.8325 8.8325 8.9974 8.9974 9.0644 9.0644 10.2632 10.2632 11.2314 11.2314 11.3276 11.3276 11.3539 11.3539 11.5836 11.5836 11.6011 11.6011 12.2301 12.2301 k = 0.1707 0.1707 0.1707 ( 9162 PWs) bands (ev): -2.7330 -2.7330 -1.1717 -1.1717 -1.1404 -1.1404 -1.1392 -1.1392 0.2089 0.2089 0.2285 0.2285 0.4573 0.4573 0.9850 0.9850 2.7392 2.7392 2.8382 2.8382 2.8823 2.8823 2.9594 2.9594 3.0580 3.0580 3.3330 3.3330 3.4587 3.4587 3.5107 3.5107 3.6268 3.6268 3.7503 3.7503 3.8201 3.8201 3.9568 3.9568 4.1480 4.1480 4.1551 4.1551 4.4352 4.4352 4.4806 4.4806 4.5287 4.5287 4.7445 4.7445 4.7516 4.7516 4.9446 4.9446 5.1027 5.1027 5.1354 5.1354 5.6293 5.6293 5.7217 5.7217 6.1682 6.1682 6.1904 6.1904 6.6461 6.6461 6.7428 6.7428 6.8115 6.8115 7.8951 7.8951 8.2176 8.2176 8.2214 8.2214 8.9053 8.9053 9.0817 9.0817 9.1613 9.1613 10.2603 10.2603 11.1687 11.1687 11.2382 11.2382 11.2549 11.2549 11.5781 11.5781 11.5881 11.5881 12.2353 12.2353 k = 0.1829 0.1829 0.1829 ( 9162 PWs) bands (ev): -2.6914 -2.6914 -1.1802 -1.1802 -1.1460 -1.1460 -1.1454 -1.1454 0.1863 0.1863 0.2034 0.2034 0.4584 0.4584 0.9102 0.9102 2.7420 2.7420 2.8451 2.8451 2.8843 2.8843 2.9582 2.9582 3.0573 3.0573 3.3362 3.3362 3.4610 3.4610 3.5152 3.5152 3.6264 3.6264 3.7352 3.7352 3.8095 3.8095 3.9795 3.9795 4.1589 4.1589 4.1704 4.1704 4.4266 4.4266 4.4783 4.4783 4.5305 4.5305 4.7461 4.7461 4.7560 4.7560 4.9457 4.9457 5.1016 5.1016 5.1475 5.1475 5.5827 5.5827 5.7483 5.7483 6.2290 6.2290 6.2547 6.2547 6.6734 6.6734 6.7690 6.7690 6.8417 6.8417 7.8777 7.8777 8.2144 8.2144 8.2296 8.2296 8.9669 8.9669 9.1840 9.1840 9.2668 9.2668 10.2462 10.2462 11.0633 11.0633 11.1401 11.1401 11.2078 11.2078 11.5737 11.5737 11.5888 11.5888 12.2213 12.2213 k = 0.1951 0.1951 0.1951 ( 9168 PWs) bands (ev): -2.6471 -2.6471 -1.1881 -1.1881 -1.1513 -1.1513 -1.1512 -1.1512 0.1621 0.1621 0.1771 0.1771 0.4576 0.4576 0.8354 0.8354 2.7439 2.7439 2.8495 2.8495 2.8848 2.8848 2.9523 2.9523 3.0573 3.0573 3.3342 3.3342 3.4519 3.4519 3.5144 3.5144 3.6326 3.6326 3.7316 3.7316 3.7992 3.7992 4.0047 4.0047 4.1734 4.1734 4.1850 4.1850 4.4186 4.4186 4.4770 4.4770 4.5373 4.5373 4.7487 4.7487 4.7617 4.7617 4.9466 4.9466 5.1044 5.1044 5.1653 5.1653 5.5430 5.5430 5.7788 5.7788 6.2908 6.2908 6.3209 6.3209 6.7005 6.7005 6.7917 6.7917 6.8670 6.8670 7.8592 7.8592 8.2095 8.2095 8.2360 8.2360 9.0186 9.0186 9.2985 9.2985 9.3794 9.3794 10.2225 10.2225 10.9454 10.9454 11.0198 11.0198 11.2071 11.2071 11.5675 11.5675 11.5921 11.5921 12.1816 12.1816 k = 0.2073 0.2073 0.2073 ( 9174 PWs) bands (ev): -2.6001 -2.6001 -1.1953 -1.1953 -1.1567 -1.1567 -1.1560 -1.1560 0.1367 0.1367 0.1495 0.1495 0.4543 0.4543 0.7612 0.7612 2.7451 2.7451 2.8514 2.8514 2.8839 2.8839 2.9421 2.9421 3.0583 3.0583 3.3258 3.3258 3.4326 3.4326 3.5113 3.5113 3.6439 3.6439 3.7382 3.7382 3.7892 3.7892 4.0296 4.0296 4.1912 4.1912 4.1980 4.1980 4.4125 4.4125 4.4767 4.4767 4.5487 4.5487 4.7523 4.7523 4.7683 4.7683 4.9462 4.9462 5.1125 5.1125 5.1891 5.1891 5.5153 5.5153 5.8122 5.8122 6.3529 6.3529 6.3883 6.3883 6.7260 6.7260 6.8114 6.8114 6.8881 6.8881 7.8402 7.8402 8.2031 8.2031 8.2408 8.2408 9.0602 9.0602 9.4204 9.4204 9.4972 9.4972 10.1935 10.1935 10.8263 10.8263 10.8981 10.8981 11.2215 11.2215 11.5582 11.5582 11.5938 11.5938 12.1143 12.1143 k = 0.2195 0.2195 0.2195 ( 9177 PWs) bands (ev): -2.5506 -2.5506 -1.2017 -1.2017 -1.1615 -1.1615 -1.1602 -1.1602 0.1099 0.1099 0.1207 0.1207 0.4480 0.4480 0.6880 0.6880 2.7456 2.7456 2.8505 2.8505 2.8816 2.8816 2.9289 2.9289 3.0601 3.0601 3.3110 3.3110 3.4063 3.4063 3.5073 3.5073 3.6589 3.6589 3.7520 3.7520 3.7795 3.7795 4.0510 4.0510 4.2096 4.2096 4.2117 4.2117 4.4096 4.4096 4.4773 4.4773 4.5643 4.5643 4.7568 4.7568 4.7753 4.7753 4.9434 4.9434 5.1280 5.1280 5.2193 5.2193 5.5019 5.5019 5.8484 5.8484 6.4143 6.4143 6.4563 6.4563 6.7490 6.7490 6.8288 6.8288 6.9060 6.9060 7.8219 7.8219 8.1958 8.1958 8.2443 8.2443 9.0890 9.0890 9.5461 9.5461 9.6183 9.6183 10.1645 10.1645 10.7086 10.7086 10.7771 10.7771 11.2436 11.2436 11.5452 11.5452 11.5916 11.5916 12.0347 12.0347 k = 0.2317 0.2317 0.2317 ( 9180 PWs) bands (ev): -2.4985 -2.4985 -1.2072 -1.2072 -1.1657 -1.1657 -1.1639 -1.1639 0.0819 0.0819 0.0909 0.0909 0.4379 0.4379 0.6165 0.6165 2.7453 2.7453 2.8464 2.8464 2.8781 2.8781 2.9143 2.9143 3.0624 3.0624 3.2915 3.2915 3.3764 3.3764 3.5015 3.5015 3.6760 3.6760 3.7696 3.7696 3.7706 3.7706 4.0655 4.0655 4.2214 4.2214 4.2341 4.2341 4.4108 4.4108 4.4789 4.4789 4.5833 4.5833 4.7623 4.7623 4.7823 4.7823 4.9379 4.9379 5.1523 5.1523 5.2563 5.2563 5.5034 5.5034 5.8876 5.8876 6.4733 6.4733 6.5237 6.5237 6.7689 6.7689 6.8451 6.8451 6.9222 6.9222 7.8051 7.8051 8.1879 8.1879 8.2468 8.2468 9.1013 9.1013 9.6722 9.6722 9.7398 9.7398 10.1403 10.1403 10.5937 10.5937 10.6584 10.6584 11.2667 11.2667 11.5281 11.5281 11.5844 11.5844 11.9567 11.9567 k = 0.2439 0.2439 0.2439 ( 9183 PWs) bands (ev): -2.4438 -2.4438 -1.2118 -1.2118 -1.1692 -1.1692 -1.1669 -1.1669 0.0528 0.0528 0.0602 0.0602 0.4223 0.4223 0.5481 0.5481 2.7444 2.7444 2.8388 2.8388 2.8735 2.8735 2.8999 2.8999 3.0645 3.0645 3.2691 3.2691 3.3453 3.3453 3.4918 3.4918 3.6941 3.6941 3.7638 3.7638 3.7888 3.7888 4.0714 4.0714 4.2352 4.2352 4.2577 4.2577 4.4157 4.4157 4.4813 4.4813 4.6051 4.6051 4.7686 4.7686 4.7890 4.7890 4.9306 4.9306 5.1862 5.1862 5.3004 5.3004 5.5191 5.5191 5.9299 5.9299 6.5281 6.5281 6.5891 6.5891 6.7852 6.7852 6.8624 6.8624 6.9385 6.9385 7.7911 7.7911 8.1797 8.1797 8.2486 8.2486 9.0944 9.0944 9.7946 9.7946 9.8579 9.8579 10.1228 10.1228 10.4841 10.4841 10.5448 10.5448 11.2850 11.2850 11.5068 11.5068 11.5713 11.5713 11.8882 11.8882 k = 0.2561 0.2561 0.2561 ( 9177 PWs) bands (ev): -2.3867 -2.3867 -1.2152 -1.2152 -1.1720 -1.1720 -1.1691 -1.1691 0.0228 0.0228 0.0287 0.0287 0.3974 0.3974 0.4867 0.4867 2.7427 2.7427 2.8274 2.8274 2.8680 2.8680 2.8868 2.8868 3.0663 3.0663 3.2455 3.2455 3.3145 3.3145 3.4762 3.4762 3.7108 3.7108 3.7617 3.7617 3.8084 3.8084 4.0699 4.0699 4.2513 4.2513 4.2816 4.2816 4.4230 4.4230 4.4845 4.4845 4.6291 4.6291 4.7758 4.7758 4.7954 4.7954 4.9229 4.9229 5.2300 5.2300 5.3520 5.3520 5.5474 5.5474 5.9755 5.9755 6.5759 6.5759 6.6501 6.6501 6.7972 6.7972 6.8838 6.8838 6.9575 6.9575 7.7808 7.7808 8.1713 8.1713 8.2499 8.2499 9.0674 9.0674 9.9052 9.9052 9.9639 9.9639 10.1103 10.1103 10.3862 10.3862 10.4430 10.4430 11.2947 11.2947 11.4814 11.4814 11.5521 11.5521 11.8344 11.8344 k = 0.2683 0.2683 0.2683 ( 9186 PWs) bands (ev): -2.3273 -2.3273 -1.2175 -1.2175 -1.1739 -1.1739 -1.1706 -1.1706 -0.0081 -0.0081 -0.0035 -0.0035 0.3566 0.3566 0.4387 0.4387 2.7401 2.7401 2.8130 2.8130 2.8619 2.8619 2.8750 2.8750 3.0676 3.0676 3.2220 3.2220 3.2850 3.2850 3.4534 3.4534 3.7227 3.7227 3.7682 3.7682 3.8275 3.8275 4.0638 4.0638 4.2689 4.2689 4.3050 4.3050 4.4311 4.4311 4.4883 4.4883 4.6544 4.6544 4.7836 4.7836 4.8015 4.8015 4.9160 4.9160 5.2833 5.2833 5.4110 5.4110 5.5863 5.5863 6.0245 6.0245 6.6140 6.6140 6.7030 6.7030 6.8038 6.8038 6.9131 6.9131 6.9831 6.9831 7.7751 7.7751 8.1630 8.1630 8.2508 8.2508 9.0220 9.0220 9.9810 9.9810 10.0349 10.0349 10.0990 10.0990 10.3197 10.3197 10.3741 10.3741 11.2955 11.2955 11.4523 11.4523 11.5266 11.5266 11.7982 11.7982 k = 0.2805 0.2805 0.2805 ( 9180 PWs) bands (ev): -2.2655 -2.2655 -1.2186 -1.2186 -1.1750 -1.1750 -1.1712 -1.1712 -0.0397 -0.0397 -0.0362 -0.0362 0.3008 0.3008 0.4030 0.4030 2.7367 2.7367 2.7967 2.7967 2.8554 2.8554 2.8637 2.8637 3.0684 3.0684 3.1994 3.1994 3.2574 3.2574 3.4233 3.4233 3.7294 3.7294 3.7833 3.7833 3.8460 3.8460 4.0559 4.0559 4.2871 4.2871 4.3274 4.3274 4.4390 4.4390 4.4928 4.4928 4.6800 4.6800 4.7921 4.7921 4.8077 4.8077 4.9105 4.9105 5.3457 5.3457 5.4774 5.4774 5.6340 5.6340 6.0770 6.0770 6.6406 6.6406 6.7444 6.7444 6.8049 6.8049 6.9525 6.9525 7.0190 7.0190 7.7746 7.7746 8.1550 8.1550 8.2515 8.2515 8.9617 8.9617 9.9758 9.9758 10.0285 10.0285 10.0868 10.0868 10.3233 10.3233 10.3784 10.3784 11.2905 11.2905 11.4199 11.4199 11.4953 11.4953 11.7801 11.7801 k = 0.2927 0.2927 0.2927 ( 9186 PWs) bands (ev): -2.2016 -2.2016 -1.2184 -1.2184 -1.1751 -1.1751 -1.1710 -1.1710 -0.0717 -0.0717 -0.0694 -0.0694 0.2386 0.2386 0.3711 0.3711 2.7324 2.7324 2.7797 2.7797 2.8487 2.8487 2.8523 2.8523 3.0685 3.0685 3.1783 3.1783 3.2319 3.2319 3.3871 3.3871 3.7348 3.7348 3.8028 3.8028 3.8636 3.8636 4.0480 4.0480 4.3054 4.3054 4.3483 4.3483 4.4460 4.4460 4.4978 4.4978 4.7049 4.7049 4.8011 4.8011 4.8142 4.8142 4.9066 4.9066 5.4165 5.4165 5.5506 5.5506 5.6887 5.6887 6.1329 6.1329 6.6566 6.6566 6.7725 6.7725 6.8014 6.8014 7.0012 7.0012 7.0672 7.0672 7.7795 7.7795 8.1474 8.1474 8.2522 8.2522 8.8902 8.8902 9.9016 9.9016 9.9534 9.9534 10.0594 10.0594 10.3903 10.3903 10.4451 10.4451 11.2833 11.2833 11.3855 11.3855 11.4586 11.4586 11.7791 11.7791 k = 0.3049 0.3049 0.3049 ( 9186 PWs) bands (ev): -2.1355 -2.1355 -1.2170 -1.2170 -1.1744 -1.1744 -1.1699 -1.1699 -0.1041 -0.1041 -0.1027 -0.1027 0.1752 0.1752 0.3377 0.3377 2.7272 2.7272 2.7628 2.7628 2.8402 2.8402 2.8421 2.8421 3.0679 3.0679 3.1589 3.1589 3.2088 3.2088 3.3466 3.3466 3.7409 3.7409 3.8237 3.8237 3.8804 3.8804 4.0410 4.0410 4.3234 4.3234 4.3674 4.3674 4.4519 4.4519 4.5032 4.5032 4.7286 4.7286 4.8105 4.8105 4.8212 4.8212 4.9043 4.9043 5.4945 5.4945 5.6301 5.6301 5.7487 5.7487 6.1919 6.1919 6.6637 6.6637 6.7894 6.7894 6.7950 6.7950 7.0564 7.0564 7.1259 7.1259 7.7899 7.7899 8.1406 8.1406 8.2532 8.2532 8.8111 8.8111 9.8016 9.8016 9.8517 9.8517 10.0117 10.0117 10.4762 10.4762 10.5294 10.5294 11.2743 11.2743 11.3516 11.3516 11.4171 11.4171 11.7936 11.7936 k = 0.3171 0.3171 0.3171 ( 9180 PWs) bands (ev): -2.0674 -2.0674 -1.2142 -1.2142 -1.1728 -1.1728 -1.1680 -1.1680 -0.1367 -0.1367 -0.1360 -0.1360 0.1124 0.1124 0.3011 0.3011 2.7210 2.7210 2.7465 2.7465 2.8272 2.8272 2.8357 2.8357 3.0665 3.0665 3.1414 3.1414 3.1880 3.1880 3.3041 3.3041 3.7483 3.7483 3.8446 3.8446 3.8964 3.8964 4.0353 4.0353 4.3411 4.3411 4.3847 4.3847 4.4569 4.4569 4.5090 4.5090 4.7507 4.7507 4.8203 4.8203 4.8287 4.8287 4.9033 4.9033 5.5783 5.5783 5.7150 5.7150 5.8130 5.8130 6.2534 6.2534 6.6642 6.6642 6.7882 6.7882 6.7987 6.7987 7.1154 7.1154 7.1917 7.1917 7.8054 7.8054 8.1350 8.1350 8.2545 8.2545 8.7275 8.7275 9.6918 9.6918 9.7411 9.7411 9.9453 9.9453 10.5603 10.5603 10.6117 10.6117 11.2583 11.2583 11.3234 11.3234 11.3717 11.3717 11.8190 11.8190 k = 0.3293 0.3293 0.3293 ( 9174 PWs) bands (ev): -1.9975 -1.9975 -1.2102 -1.2102 -1.1702 -1.1702 -1.1651 -1.1651 -0.1692 -0.1692 -0.1691 -0.1691 0.0509 0.0509 0.2607 0.2607 2.7141 2.7141 2.7311 2.7311 2.8132 2.8132 2.8297 2.8297 3.0639 3.0639 3.1260 3.1260 3.1695 3.1695 3.2618 3.2618 3.7567 3.7567 3.8650 3.8650 3.9116 3.9116 4.0308 4.0308 4.3581 4.3581 4.4003 4.4003 4.4611 4.4611 4.5151 4.5151 4.7712 4.7712 4.8302 4.8302 4.8369 4.8369 4.9034 4.9034 5.6659 5.6659 5.8040 5.8040 5.8807 5.8807 6.3161 6.3161 6.6595 6.6595 6.7840 6.7840 6.8040 6.8040 7.1760 7.1760 7.2616 7.2616 7.8252 7.8252 8.1310 8.1310 8.2562 8.2562 8.6418 8.6418 9.5773 9.5773 9.6270 9.6270 9.8623 9.8623 10.6349 10.6349 10.6848 10.6848 11.2296 11.2296 11.3054 11.3054 11.3233 11.3233 11.8427 11.8427 k = 0.3415 0.3415 0.3415 ( 9180 PWs) bands (ev): -1.9258 -1.9258 -1.2049 -1.2049 -1.1669 -1.1669 -1.1615 -1.1615 -0.2020 -0.2020 -0.2012 -0.2012 -0.0087 -0.0087 0.2161 0.2161 2.7065 2.7065 2.7168 2.7168 2.7981 2.7981 2.8243 2.8243 3.0596 3.0596 3.1126 3.1126 3.1531 3.1531 3.2217 3.2217 3.7658 3.7658 3.8847 3.8847 3.9259 3.9259 4.0275 4.0275 4.3745 4.3745 4.4141 4.4141 4.4646 4.4646 4.5213 4.5213 4.7901 4.7901 4.8403 4.8403 4.8454 4.8454 4.9043 4.9043 5.7546 5.7546 5.8958 5.8958 5.9515 5.9515 6.3779 6.3779 6.6509 6.6509 6.7866 6.7866 6.8081 6.8081 7.2363 7.2363 7.3332 7.3332 7.8481 7.8481 8.1291 8.1291 8.2587 8.2587 8.5565 8.5565 9.4600 9.4600 9.5113 9.5113 9.7657 9.7657 10.6970 10.6970 10.7455 10.7455 11.1919 11.1919 11.2729 11.2729 11.2936 11.2936 11.8390 11.8390 k = 0.3537 0.3537 0.3537 ( 9180 PWs) bands (ev): -1.8527 -1.8527 -1.1985 -1.1985 -1.1627 -1.1627 -1.1571 -1.1571 -0.2341 -0.2341 -0.2328 -0.2328 -0.0662 -0.0662 0.1675 0.1675 2.6984 2.6984 2.7036 2.7036 2.7820 2.7820 2.8194 2.8194 3.0525 3.0525 3.1015 3.1015 3.1388 3.1388 3.1858 3.1858 3.7752 3.7752 3.9034 3.9034 3.9395 3.9395 4.0251 4.0251 4.3900 4.3900 4.4264 4.4264 4.4677 4.4677 4.5276 4.5276 4.8078 4.8078 4.8504 4.8504 4.8543 4.8543 4.9059 4.9059 5.8413 5.8413 5.9885 5.9885 6.0249 6.0249 6.4352 6.4352 6.6407 6.6407 6.8008 6.8008 6.8136 6.8136 7.2948 7.2948 7.4047 7.4047 7.8726 7.8726 8.1297 8.1297 8.2620 8.2620 8.4738 8.4738 9.3407 9.3407 9.3948 9.3948 9.6588 9.6588 10.7454 10.7454 10.7926 10.7926 11.1505 11.1505 11.2212 11.2212 11.2828 11.2828 11.7953 11.7953 k = 0.3659 0.3659 0.3659 ( 9189 PWs) bands (ev): -1.7783 -1.7783 -1.1909 -1.1909 -1.1578 -1.1578 -1.1520 -1.1520 -0.2654 -0.2654 -0.2636 -0.2636 -0.1212 -0.1212 0.1148 0.1148 2.6901 2.6901 2.6917 2.6917 2.7652 2.7652 2.8150 2.8150 3.0417 3.0417 3.0931 3.0931 3.1264 3.1264 3.1557 3.1557 3.7847 3.7847 3.9211 3.9211 3.9521 3.9521 4.0234 4.0234 4.4046 4.4046 4.4372 4.4372 4.4704 4.4704 4.5340 4.5340 4.8244 4.8244 4.8604 4.8604 4.8632 4.8632 4.9078 4.9078 5.9229 5.9229 6.0794 6.0794 6.1002 6.1002 6.4827 6.4827 6.6333 6.6333 6.8234 6.8234 6.8311 6.8311 7.3504 7.3504 7.4747 7.4747 7.8963 7.8963 8.1331 8.1331 8.2664 8.2664 8.3969 8.3969 9.2198 9.2198 9.2782 9.2782 9.5444 9.5444 10.7804 10.7804 10.8262 10.8262 11.1079 11.1079 11.1694 11.1694 11.2714 11.2714 11.7303 11.7303 k = 0.3780 0.3780 0.3780 ( 9183 PWs) bands (ev): -1.7028 -1.7028 -1.1824 -1.1824 -1.1523 -1.1523 -1.1463 -1.1463 -0.2956 -0.2956 -0.2933 -0.2933 -0.1735 -0.1735 0.0585 0.0585 2.6810 2.6810 2.6817 2.6817 2.7479 2.7479 2.8112 2.8112 3.0269 3.0269 3.0871 3.0871 3.1156 3.1156 3.1323 3.1323 3.7941 3.7941 3.9376 3.9376 3.9639 3.9639 4.0224 4.0224 4.4183 4.4183 4.4466 4.4466 4.4729 4.4729 4.5404 4.5404 4.8400 4.8400 4.8703 4.8703 4.8720 4.8720 4.9102 4.9102 5.9970 5.9970 6.1654 6.1654 6.1740 6.1740 6.5131 6.5131 6.6388 6.6388 6.8406 6.8406 6.8801 6.8801 7.4019 7.4019 7.5417 7.5417 7.9157 7.9157 8.1385 8.1385 8.2718 8.2718 8.3302 8.3302 9.0978 9.0978 9.1617 9.1617 9.4249 9.4249 10.8034 10.8034 10.8476 10.8476 11.0655 11.0655 11.1183 11.1183 11.2591 11.2591 11.6574 11.6574 k = 0.3902 0.3902 0.3902 ( 9189 PWs) bands (ev): -1.6267 -1.6267 -1.1731 -1.1731 -1.1462 -1.1462 -1.1402 -1.1402 -0.3243 -0.3243 -0.3217 -0.3217 -0.2228 -0.2228 -0.0010 -0.0010 2.6715 2.6715 2.6736 2.6736 2.7304 2.7304 2.8079 2.8079 3.0094 3.0094 3.0831 3.0831 3.1064 3.1064 3.1152 3.1152 3.8031 3.8031 3.9530 3.9530 3.9747 3.9747 4.0218 4.0218 4.4308 4.4308 4.4549 4.4549 4.4752 4.4752 4.5466 4.5466 4.8546 4.8546 4.8797 4.8797 4.8805 4.8805 4.9126 4.9126 6.0627 6.0627 6.2407 6.2407 6.2426 6.2426 6.5211 6.5211 6.6700 6.6700 6.8693 6.8693 6.9465 6.9465 7.4483 7.4483 7.6044 7.6044 7.9258 7.9258 8.1428 8.1428 8.2785 8.2785 8.2814 8.2814 8.9753 8.9753 9.0460 9.0460 9.3022 9.3022 10.8162 10.8162 10.8585 10.8585 11.0238 11.0238 11.0688 11.0688 11.2462 11.2462 11.5824 11.5824 k = 0.4024 0.4024 0.4024 ( 9180 PWs) bands (ev): -1.5504 -1.5504 -1.1632 -1.1632 -1.1399 -1.1399 -1.1337 -1.1337 -0.3513 -0.3513 -0.3483 -0.3483 -0.2687 -0.2687 -0.0632 -0.0632 2.6631 2.6631 2.6658 2.6658 2.7131 2.7131 2.8049 2.8049 2.9913 2.9913 3.0801 3.0801 3.0985 3.0985 3.1028 3.1028 3.8115 3.8115 3.9670 3.9670 3.9845 3.9845 4.0215 4.0215 4.4421 4.4421 4.4620 4.4620 4.4773 4.4773 4.5526 4.5526 4.8682 4.8682 4.8886 4.8886 4.8887 4.8887 4.9152 4.9152 6.1197 6.1197 6.2939 6.2939 6.3071 6.3071 6.5139 6.5139 6.7290 6.7290 6.9129 6.9129 7.0264 7.0264 7.4891 7.4891 7.6613 7.6613 7.9208 7.9208 8.1416 8.1416 8.2597 8.2597 8.2861 8.2861 8.8533 8.8533 8.9317 8.9317 9.1780 9.1780 10.8211 10.8211 10.8609 10.8609 10.9834 10.9834 11.0219 11.0219 11.2328 11.2328 11.5083 11.5083 k = 0.4146 0.4146 0.4146 ( 9198 PWs) bands (ev): -1.4746 -1.4746 -1.1530 -1.1530 -1.1333 -1.1333 -1.1272 -1.1272 -0.3763 -0.3763 -0.3730 -0.3730 -0.3110 -0.3110 -0.1272 -0.1272 2.6559 2.6559 2.6586 2.6586 2.6965 2.6965 2.8024 2.8024 2.9743 2.9743 3.0780 3.0780 3.0919 3.0919 3.0937 3.0937 3.8193 3.8193 3.9796 3.9796 3.9933 3.9933 4.0215 4.0215 4.4523 4.4523 4.4680 4.4680 4.4793 4.4793 4.5583 4.5583 4.8807 4.8807 4.8962 4.8962 4.8971 4.8971 4.9177 4.9177 6.1680 6.1680 6.3321 6.3321 6.3564 6.3564 6.5012 6.5012 6.8115 6.8115 6.9737 6.9737 7.1156 7.1156 7.5239 7.5239 7.7107 7.7107 7.8980 7.8980 8.1368 8.1368 8.2630 8.2630 8.2942 8.2942 8.7341 8.7341 8.8204 8.8204 9.0539 9.0539 10.8202 10.8202 10.8567 10.8567 10.9447 10.9447 10.9782 10.9782 11.2193 11.2193 11.4372 11.4372 k = 0.4268 0.4268 0.4268 ( 9195 PWs) bands (ev): -1.3999 -1.3999 -1.1430 -1.1430 -1.1266 -1.1266 -1.1208 -1.1208 -0.3989 -0.3989 -0.3954 -0.3954 -0.3491 -0.3491 -0.1921 -0.1921 2.6497 2.6497 2.6521 2.6521 2.6810 2.6810 2.8003 2.8003 2.9592 2.9592 3.0763 3.0763 3.0864 3.0864 3.0870 3.0870 3.8263 3.8263 3.9908 3.9908 4.0010 4.0010 4.0216 4.0216 4.4612 4.4612 4.4731 4.4731 4.4810 4.4810 4.5636 4.5636 4.8919 4.8919 4.9031 4.9031 4.9048 4.9048 4.9201 4.9201 6.2069 6.2069 6.3590 6.3590 6.3910 6.3910 6.4874 6.4874 6.9120 6.9120 7.0507 7.0507 7.2105 7.2105 7.5528 7.5528 7.7508 7.7508 7.8618 7.8618 8.1323 8.1323 8.2769 8.2769 8.3010 8.3010 8.6222 8.6222 8.7144 8.7144 8.9317 8.9317 10.8156 10.8156 10.8478 10.8478 10.9081 10.9081 10.9387 10.9387 11.2058 11.2058 11.3708 11.3708 k = 0.4390 0.4390 0.4390 ( 9195 PWs) bands (ev): -1.3278 -1.3278 -1.1336 -1.1336 -1.1200 -1.1200 -1.1148 -1.1148 -0.4189 -0.4189 -0.4152 -0.4152 -0.3827 -0.3827 -0.2564 -0.2564 2.6445 2.6445 2.6464 2.6464 2.6672 2.6672 2.7986 2.7986 2.9465 2.9465 3.0750 3.0750 3.0819 3.0819 3.0820 3.0820 3.8323 3.8323 4.0004 4.0004 4.0076 4.0076 4.0219 4.0219 4.4688 4.4688 4.4773 4.4773 4.4826 4.4826 4.5683 4.5683 4.9015 4.9015 4.9094 4.9094 4.9116 4.9116 4.9223 4.9223 6.2356 6.2356 6.3800 6.3800 6.4136 6.4136 6.4745 6.4745 7.0251 7.0251 7.1409 7.1409 7.3080 7.3080 7.5764 7.5764 7.7796 7.7796 7.8201 7.8201 8.1217 8.1217 8.2877 8.2877 8.3034 8.3034 8.5283 8.5283 8.6185 8.6185 8.8136 8.8136 10.8088 10.8088 10.8356 10.8356 10.8744 10.8744 10.9043 10.9043 11.1927 11.1927 11.3069 11.3069 k = 0.4512 0.4512 0.4512 ( 9186 PWs) bands (ev): -1.2599 -1.2599 -1.1254 -1.1254 -1.1137 -1.1137 -1.1094 -1.1094 -0.4358 -0.4358 -0.4321 -0.4321 -0.4112 -0.4112 -0.3182 -0.3182 2.6403 2.6403 2.6417 2.6417 2.6553 2.6553 2.7971 2.7971 2.9364 2.9364 3.0740 3.0740 3.0783 3.0783 3.0783 3.0783 3.8374 3.8374 4.0084 4.0084 4.0130 4.0130 4.0221 4.0221 4.4750 4.4750 4.4806 4.4806 4.4839 4.4839 4.5723 4.5723 4.9093 4.9093 4.9152 4.9152 4.9173 4.9173 4.9243 4.9243 6.2544 6.2544 6.3988 6.3988 6.4274 6.4274 6.4633 6.4633 7.1461 7.1461 7.2399 7.2399 7.4045 7.4045 7.5956 7.5956 7.7790 7.7790 7.7941 7.7941 8.0891 8.0891 8.2846 8.2846 8.2950 8.2950 8.4702 8.4702 8.5412 8.5412 8.7028 8.7028 10.8014 10.8014 10.8217 10.8217 10.8444 10.8444 10.8756 10.8756 11.1800 11.1800 11.2509 11.2509 k = 0.4634 0.4634 0.4634 ( 9192 PWs) bands (ev): -1.1991 -1.1991 -1.1187 -1.1187 -1.1078 -1.1078 -1.1049 -1.1049 -0.4493 -0.4493 -0.4458 -0.4458 -0.4339 -0.4339 -0.3745 -0.3745 2.6371 2.6371 2.6379 2.6379 2.6457 2.6457 2.7960 2.7960 2.9286 2.9286 3.0732 3.0732 3.0755 3.0755 3.0756 3.0756 3.8414 3.8414 4.0146 4.0146 4.0173 4.0173 4.0224 4.0224 4.4800 4.4800 4.4831 4.4831 4.4850 4.4850 4.5756 4.5756 4.9149 4.9149 4.9203 4.9203 4.9220 4.9220 4.9259 4.9259 6.2652 6.2652 6.4160 6.4160 6.4354 6.4354 6.4544 6.4544 7.2719 7.2719 7.3436 7.3436 7.4952 7.4952 7.6118 7.6118 7.7424 7.7424 7.7907 7.7907 8.0207 8.0207 8.2702 8.2702 8.2705 8.2705 8.4521 8.4521 8.4920 8.4920 8.6044 8.6044 10.7944 10.7944 10.8075 10.8075 10.8191 10.8191 10.8533 10.8533 11.1685 11.1685 11.2069 11.2069 k = 0.4756 0.4756 0.4756 ( 9186 PWs) bands (ev): -1.1498 -1.1498 -1.1133 -1.1133 -1.1029 -1.1029 -1.1014 -1.1014 -0.4592 -0.4592 -0.4566 -0.4566 -0.4502 -0.4502 -0.4212 -0.4212 2.6348 2.6348 2.6352 2.6352 2.6387 2.6387 2.7952 2.7952 2.9231 2.9231 3.0727 3.0727 3.0737 3.0737 3.0737 3.0737 3.8443 3.8443 4.0191 4.0191 4.0203 4.0203 4.0226 4.0226 4.4835 4.4835 4.4849 4.4849 4.4857 4.4857 4.5780 4.5780 4.9185 4.9185 4.9245 4.9245 4.9254 4.9254 4.9271 4.9271 6.2705 6.2705 6.4301 6.4301 6.4398 6.4398 6.4478 6.4478 7.3996 7.3996 7.4477 7.4477 7.5712 7.5712 7.6269 7.6269 7.7129 7.7129 7.7647 7.7647 7.9229 7.9229 8.2353 8.2353 8.2556 8.2556 8.4536 8.4536 8.4697 8.4697 8.5262 8.5262 10.7887 10.7887 10.7952 10.7952 10.7999 10.7999 10.8376 10.8376 11.1589 11.1589 11.1754 11.1754 k = 0.4878 0.4878 0.4878 ( 9156 PWs) bands (ev): -1.1206 -1.1206 -1.1061 -1.1061 -1.0997 -1.0997 -1.0993 -1.0993 -0.4653 -0.4653 -0.4644 -0.4644 -0.4604 -0.4604 -0.4514 -0.4514 2.6335 2.6335 2.6336 2.6336 2.6344 2.6344 2.7948 2.7948 2.9199 2.9199 3.0723 3.0723 3.0726 3.0726 3.0726 3.0726 3.8461 3.8461 4.0219 4.0219 4.0222 4.0222 4.0227 4.0227 4.4856 4.4856 4.4860 4.4860 4.4862 4.4862 4.5794 4.5794 4.9206 4.9206 4.9272 4.9272 4.9274 4.9274 4.9279 4.9279 6.2728 6.2728 6.4393 6.4393 6.4419 6.4419 6.4438 6.4438 7.5256 7.5256 7.5477 7.5477 7.6166 7.6166 7.6429 7.6429 7.6911 7.6911 7.7137 7.7137 7.8166 7.8166 8.2074 8.2074 8.2412 8.2412 8.4586 8.4586 8.4624 8.4624 8.4771 8.4771 10.7850 10.7850 10.7867 10.7867 10.7878 10.7878 10.8283 10.8283 11.1526 11.1526 11.1566 11.1566 k = 0.5000 0.5000 0.5000 ( 9104 PWs) bands (ev): -1.1152 -1.1152 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4584 -0.4584 2.6330 2.6330 2.6330 2.6330 2.6330 2.6330 2.7946 2.7946 2.9189 2.9189 3.0722 3.0722 3.0722 3.0722 3.0722 3.0722 3.8467 3.8467 4.0228 4.0228 4.0228 4.0228 4.0228 4.0228 4.4864 4.4864 4.4864 4.4864 4.4864 4.4864 4.5799 4.5799 4.9212 4.9212 4.9281 4.9281 4.9281 4.9281 4.9281 4.9281 6.2735 6.2735 6.4425 6.4425 6.4425 6.4425 6.4425 6.4425 7.6293 7.6293 7.6293 7.6293 7.6293 7.6293 7.6486 7.6486 7.6486 7.6486 7.6486 7.6486 7.7586 7.7586 8.1971 8.1971 8.2343 8.2343 8.4608 8.4608 8.4608 8.4608 8.4608 8.4608 10.7837 10.7837 10.7837 10.7837 10.7837 10.7837 10.8252 10.8252 11.1503 11.1503 11.1503 11.1503 k = 0.5000 0.5000 0.5000 ( 9104 PWs) bands (ev): -1.1152 -1.1152 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4584 -0.4584 2.6330 2.6330 2.6330 2.6330 2.6330 2.6330 2.7946 2.7946 2.9189 2.9189 3.0722 3.0722 3.0722 3.0722 3.0722 3.0722 3.8467 3.8467 4.0228 4.0228 4.0228 4.0228 4.0228 4.0228 4.4864 4.4864 4.4864 4.4864 4.4864 4.4864 4.5799 4.5799 4.9212 4.9212 4.9281 4.9281 4.9281 4.9281 4.9281 4.9281 6.2735 6.2735 6.4425 6.4425 6.4425 6.4425 6.4425 6.4425 7.6293 7.6293 7.6293 7.6293 7.6293 7.6293 7.6486 7.6486 7.6486 7.6486 7.6486 7.6486 7.7586 7.7586 8.1971 8.1971 8.2343 8.2343 8.4608 8.4608 8.4608 8.4608 8.4608 8.4608 10.7837 10.7837 10.7837 10.7837 10.7837 10.7837 10.8252 10.8252 11.1503 11.1503 11.1503 11.1503 k = 0.4853 0.5000 0.4853 ( 9150 PWs) bands (ev): -1.1196 -1.1196 -1.1063 -1.1063 -1.1012 -1.1012 -1.0980 -1.0980 -0.4660 -0.4660 -0.4638 -0.4638 -0.4595 -0.4595 -0.4527 -0.4527 2.6333 2.6333 2.6338 2.6338 2.6343 2.6343 2.7948 2.7948 2.9199 2.9199 3.0724 3.0724 3.0724 3.0724 3.0727 3.0727 3.8461 3.8461 4.0218 4.0218 4.0224 4.0224 4.0226 4.0226 4.4856 4.4856 4.4861 4.4861 4.4862 4.4862 4.5795 4.5795 4.9206 4.9206 4.9273 4.9273 4.9274 4.9274 4.9279 4.9279 6.2729 6.2729 6.4400 6.4400 6.4412 6.4412 6.4439 6.4439 7.5315 7.5315 7.5479 7.5479 7.6139 7.6139 7.6355 7.6355 7.6952 7.6952 7.7188 7.7188 7.8126 7.8126 8.2064 8.2064 8.2417 8.2417 8.4577 8.4577 8.4659 8.4659 8.4740 8.4740 10.7855 10.7855 10.7857 10.7857 10.7881 10.7881 10.8282 10.8282 11.1529 11.1529 11.1561 11.1561 k = 0.4706 0.5000 0.4706 ( 9190 PWs) bands (ev): -1.1381 -1.1381 -1.1284 -1.1284 -1.1030 -1.1030 -1.0966 -1.0966 -0.4621 -0.4621 -0.4585 -0.4585 -0.4372 -0.4372 -0.4312 -0.4312 2.6344 2.6344 2.6361 2.6361 2.6380 2.6380 2.7952 2.7952 2.9230 2.9230 3.0729 3.0729 3.0730 3.0730 3.0740 3.0740 3.8444 3.8444 4.0189 4.0189 4.0214 4.0214 4.0219 4.0219 4.4834 4.4834 4.4854 4.4854 4.4856 4.4856 4.5780 4.5780 4.9186 4.9186 4.9249 4.9249 4.9252 4.9252 4.9271 4.9271 6.2707 6.2707 6.4323 6.4323 6.4375 6.4375 6.4478 6.4478 7.4100 7.4100 7.4491 7.4491 7.5795 7.5795 7.6015 7.6015 7.7137 7.7137 7.7836 7.7836 7.9139 7.9139 8.2273 8.2273 8.2619 8.2619 8.4489 8.4489 8.4859 8.4859 8.5120 8.5120 10.7907 10.7907 10.7914 10.7914 10.8006 10.8006 10.8370 10.8370 11.1605 11.1605 11.1728 11.1728 k = 0.4559 0.5000 0.4559 ( 9196 PWs) bands (ev): -1.1702 -1.1702 -1.1621 -1.1621 -1.1017 -1.1017 -1.0942 -1.0942 -0.4556 -0.4556 -0.4518 -0.4518 -0.4031 -0.4031 -0.3966 -0.3966 2.6361 2.6361 2.6399 2.6399 2.6442 2.6442 2.7960 2.7960 2.9283 2.9283 3.0737 3.0737 3.0740 3.0740 3.0763 3.0763 3.8416 3.8416 4.0141 4.0141 4.0198 4.0198 4.0208 4.0208 4.4796 4.4796 4.4842 4.4842 4.4846 4.4846 4.5757 4.5757 4.9152 4.9152 4.9209 4.9209 4.9217 4.9217 4.9259 4.9259 6.2660 6.2660 6.4192 6.4192 6.4317 6.4317 6.4541 6.4541 7.2837 7.2837 7.3440 7.3440 7.5378 7.5378 7.5567 7.5567 7.7216 7.7216 7.8317 7.8317 8.0168 8.0168 8.2429 8.2429 8.2936 8.2936 8.4368 8.4368 8.5305 8.5305 8.5711 8.5711 10.7985 10.7985 10.8003 10.8003 10.8199 10.8199 10.8513 10.8513 11.1735 11.1735 11.1991 11.1991 k = 0.4412 0.5000 0.4412 ( 9200 PWs) bands (ev): -1.2112 -1.2112 -1.2042 -1.2042 -1.0987 -1.0987 -1.0908 -1.0908 -0.4465 -0.4465 -0.4429 -0.4429 -0.3604 -0.3604 -0.3530 -0.3530 2.6385 2.6385 2.6451 2.6451 2.6527 2.6527 2.7970 2.7970 2.9357 2.9357 3.0750 3.0750 3.0754 3.0754 3.0797 3.0797 3.8377 3.8377 4.0074 4.0074 4.0175 4.0175 4.0193 4.0193 4.4744 4.4744 4.4824 4.4824 4.4834 4.4834 4.5725 4.5725 4.9103 4.9103 4.9154 4.9154 4.9172 4.9172 4.9242 4.9242 6.2569 6.2569 6.4001 6.4001 6.4245 6.4245 6.4622 6.4622 7.1558 7.1558 7.2355 7.2355 7.4944 7.4944 7.5094 7.5094 7.7226 7.7226 7.8618 7.8618 8.1096 8.1096 8.2378 8.2378 8.3433 8.3433 8.4273 8.4273 8.6010 8.6010 8.6467 8.6467 10.8078 10.8078 10.8117 10.8117 10.8440 10.8440 10.8703 10.8703 11.1922 11.1922 11.2325 11.2325 k = 0.4265 0.5000 0.4265 ( 9204 PWs) bands (ev): -1.2582 -1.2582 -1.2520 -1.2520 -1.0946 -1.0946 -1.0865 -1.0865 -0.4348 -0.4348 -0.4315 -0.4315 -0.3119 -0.3119 -0.3033 -0.3033 2.6416 2.6416 2.6515 2.6515 2.6636 2.6636 2.7984 2.7984 2.9455 2.9455 3.0767 3.0767 3.0772 3.0772 3.0841 3.0841 3.8327 3.8327 3.9989 3.9989 4.0146 4.0146 4.0176 4.0176 4.4678 4.4678 4.4802 4.4802 4.4819 4.4819 4.5686 4.5686 4.9036 4.9036 4.9086 4.9086 4.9120 4.9120 4.9221 4.9221 6.2413 6.2413 6.3746 6.3746 6.4162 6.4162 6.4712 6.4712 7.0283 7.0283 7.1265 7.1265 7.4525 7.4525 7.4649 7.4649 7.7184 7.7184 7.8756 7.8756 8.1795 8.1795 8.2158 8.2158 8.4088 8.4088 8.4332 8.4332 8.6893 8.6893 8.7345 8.7345 10.8180 10.8180 10.8245 10.8245 10.8707 10.8707 10.8928 10.8928 11.2168 11.2168 11.2711 11.2711 k = 0.4118 0.5000 0.4118 ( 9208 PWs) bands (ev): -1.3088 -1.3088 -1.3033 -1.3033 -1.0896 -1.0896 -1.0813 -1.0813 -0.4206 -0.4206 -0.4177 -0.4177 -0.2596 -0.2596 -0.2499 -0.2499 2.6454 2.6454 2.6590 2.6590 2.6767 2.6767 2.8000 2.8000 2.9575 2.9575 3.0791 3.0791 3.0793 3.0793 3.0898 3.0898 3.8267 3.8267 3.9886 3.9886 4.0111 4.0111 4.0156 4.0156 4.4596 4.4596 4.4775 4.4775 4.4801 4.4801 4.5640 4.5640 4.8954 4.8954 4.9005 4.9005 4.9062 4.9062 4.9196 4.9196 6.2171 6.2171 6.3420 6.3420 6.4066 6.4066 6.4792 6.4792 6.9042 6.9042 7.0202 7.0202 7.4140 7.4140 7.4257 7.4257 7.7102 7.7102 7.8764 7.8764 8.1841 8.1841 8.2098 8.2098 8.4721 8.4721 8.4852 8.4852 8.7877 8.7877 8.8311 8.8311 10.8278 10.8278 10.8377 10.8377 10.8982 10.8982 10.9173 10.9173 11.2479 11.2479 11.3138 11.3138 k = 0.3971 0.5000 0.3971 ( 9204 PWs) bands (ev): -1.3616 -1.3616 -1.3566 -1.3566 -1.0836 -1.0836 -1.0752 -1.0752 -0.4040 -0.4040 -0.4015 -0.4015 -0.2054 -0.2054 -0.1943 -0.1943 2.6499 2.6499 2.6674 2.6674 2.6917 2.6917 2.8019 2.8019 2.9719 2.9719 3.0818 3.0818 3.0824 3.0824 3.0970 3.0970 3.8198 3.8198 3.9765 3.9765 4.0070 4.0070 4.0134 4.0134 4.4500 4.4500 4.4742 4.4742 4.4782 4.4782 4.5588 4.5588 4.8859 4.8859 4.8914 4.8914 4.8997 4.8997 4.9168 4.9168 6.1834 6.1834 6.3019 6.3019 6.3936 6.3936 6.4817 6.4817 6.7887 6.7887 6.9210 6.9210 7.3799 7.3799 7.3930 7.3930 7.6994 7.6994 7.8673 7.8673 8.1478 8.1478 8.2040 8.2040 8.5422 8.5422 8.5684 8.5684 8.8915 8.8915 8.9339 8.9339 10.8360 10.8360 10.8496 10.8496 10.9248 10.9248 10.9425 10.9425 11.2857 11.2857 11.3608 11.3608 k = 0.3824 0.5000 0.3824 ( 9192 PWs) bands (ev): -1.4155 -1.4155 -1.4110 -1.4110 -1.0767 -1.0767 -1.0683 -1.0683 -0.3850 -0.3850 -0.3831 -0.3831 -0.1503 -0.1503 -0.1379 -0.1379 2.6552 2.6552 2.6765 2.6765 2.7084 2.7084 2.8041 2.8041 2.9883 2.9883 3.0847 3.0847 3.0870 3.0870 3.1058 3.1058 3.8119 3.8119 3.9627 3.9627 4.0023 4.0023 4.0113 4.0113 4.4390 4.4390 4.4704 4.4704 4.4762 4.4762 4.5533 4.5533 4.8751 4.8751 4.8814 4.8814 4.8928 4.8928 4.9136 4.9136 6.1398 6.1398 6.2537 6.2537 6.3730 6.3730 6.4671 6.4671 6.6944 6.6944 6.8343 6.8343 7.3503 7.3503 7.3669 7.3669 7.6871 7.6871 7.8506 7.8506 8.1100 8.1100 8.1800 8.1800 8.6268 8.6268 8.6554 8.6554 8.9981 8.9981 9.0409 9.0409 10.8408 10.8408 10.8581 10.8581 10.9500 10.9500 10.9675 10.9675 11.3302 11.3302 11.4123 11.4123 k = 0.3676 0.5000 0.3676 ( 9184 PWs) bands (ev): -1.4697 -1.4697 -1.4656 -1.4656 -1.0690 -1.0690 -1.0606 -1.0606 -0.3636 -0.3636 -0.3624 -0.3624 -0.0954 -0.0954 -0.0814 -0.0814 2.6612 2.6612 2.6861 2.6861 2.7265 2.7265 2.8066 2.8066 3.0060 3.0060 3.0879 3.0879 3.0939 3.0939 3.1165 3.1165 3.8033 3.8033 3.9474 3.9474 3.9972 3.9972 4.0092 4.0092 4.4266 4.4266 4.4659 4.4659 4.4742 4.4742 4.5475 4.5475 4.8632 4.8632 4.8705 4.8705 4.8854 4.8854 4.9102 4.9102 6.0869 6.0869 6.1965 6.1965 6.3393 6.3393 6.4165 6.4165 6.6422 6.6422 6.7661 6.7661 7.3244 7.3244 7.3467 7.3467 7.6746 7.6746 7.8283 7.8283 8.0734 8.0734 8.1489 8.1489 8.7158 8.7158 8.7441 8.7441 9.1063 9.1063 9.1511 9.1511 10.8398 10.8398 10.8603 10.8603 10.9738 10.9738 10.9918 10.9918 11.3809 11.3809 11.4685 11.4685 k = 0.3529 0.5000 0.3529 ( 9184 PWs) bands (ev): -1.5235 -1.5235 -1.5199 -1.5199 -1.0606 -1.0606 -1.0521 -1.0521 -0.3400 -0.3400 -0.3395 -0.3395 -0.0413 -0.0413 -0.0258 -0.0258 2.6679 2.6679 2.6961 2.6961 2.7456 2.7456 2.8093 2.8093 3.0235 3.0235 3.0915 3.0915 3.1045 3.1045 3.1296 3.1296 3.7939 3.7939 3.9306 3.9306 3.9917 3.9917 4.0074 4.0074 4.4127 4.4127 4.4607 4.4607 4.4722 4.4722 4.5415 4.5415 4.8502 4.8502 4.8589 4.8589 4.8778 4.8778 4.9065 4.9065 6.0255 6.0255 6.1289 6.1289 6.2893 6.2893 6.3347 6.3347 6.6295 6.6295 6.7202 6.7202 7.3013 7.3013 7.3310 7.3310 7.6628 7.6628 7.8019 7.8019 8.0397 8.0397 8.1160 8.1160 8.8051 8.8051 8.8329 8.8329 9.2151 9.2151 9.2633 9.2633 10.8298 10.8298 10.8526 10.8526 10.9969 10.9969 11.0153 11.0153 11.4370 11.4370 11.5288 11.5288 k = 0.3382 0.5000 0.3382 ( 9180 PWs) bands (ev): -1.5767 -1.5767 -1.5734 -1.5734 -1.0515 -1.0515 -1.0430 -1.0430 -0.3145 -0.3145 -0.3142 -0.3142 0.0114 0.0114 0.0286 0.0286 2.6754 2.6754 2.7062 2.7062 2.7651 2.7651 2.8122 2.8122 3.0390 3.0390 3.0953 3.0953 3.1210 3.1210 3.1452 3.1452 3.7838 3.7838 3.9125 3.9125 3.9858 3.9858 4.0060 4.0060 4.3974 4.3974 4.4547 4.4547 4.4702 4.4702 4.5356 4.5356 4.8361 4.8361 4.8467 4.8467 4.8702 4.8702 4.9026 4.9026 5.9566 5.9566 6.0494 6.0494 6.2253 6.2253 6.2459 6.2459 6.6345 6.6345 6.6948 6.6948 7.2794 7.2794 7.3183 7.3183 7.6527 7.6527 7.7730 7.7730 8.0102 8.0102 8.0841 8.0841 8.8929 8.8929 8.9206 8.9206 9.3241 9.3241 9.3771 9.3771 10.8078 10.8078 10.8317 10.8317 11.0203 11.0203 11.0384 11.0384 11.4974 11.4974 11.5924 11.5924 k = 0.3235 0.5000 0.3235 ( 9164 PWs) bands (ev): -1.6288 -1.6288 -1.6258 -1.6258 -1.0417 -1.0417 -1.0332 -1.0332 -0.2876 -0.2876 -0.2863 -0.2863 0.0622 0.0622 0.0810 0.0810 2.6836 2.6836 2.7164 2.7164 2.7846 2.7846 2.8154 2.8154 3.0509 3.0509 3.0994 3.0994 3.1446 3.1446 3.1637 3.1637 3.7732 3.7732 3.8932 3.8932 3.9796 3.9796 4.0052 4.0052 4.3807 4.3807 4.4479 4.4479 4.4683 4.4683 4.5298 4.5298 4.8209 4.8209 4.8339 4.8339 4.8629 4.8629 4.8986 4.8986 5.8815 5.8815 5.9585 5.9585 6.1530 6.1530 6.1625 6.1625 6.6456 6.6456 6.6839 6.6839 7.2577 7.2577 7.3067 7.3067 7.6447 7.6447 7.7434 7.7434 7.9859 7.9859 8.0551 8.0551 8.9781 8.9781 9.0063 9.0063 9.4329 9.4329 9.4919 9.4919 10.7709 10.7709 10.7948 10.7948 11.0446 11.0446 11.0612 11.0612 11.5609 11.5609 11.6583 11.6583 k = 0.3088 0.5000 0.3088 ( 9154 PWs) bands (ev): -1.6796 -1.6796 -1.6769 -1.6769 -1.0313 -1.0313 -1.0229 -1.0229 -0.2588 -0.2588 -0.2565 -0.2565 0.1106 0.1106 0.1313 0.1313 2.6925 2.6925 2.7265 2.7265 2.8034 2.8034 2.8189 2.8189 3.0597 3.0597 3.1038 3.1038 3.1747 3.1747 3.1854 3.1854 3.7622 3.7622 3.8728 3.8728 3.9731 3.9731 4.0051 4.0051 4.3627 4.3627 4.4402 4.4402 4.4665 4.4665 4.5243 4.5243 4.8045 4.8045 4.8206 4.8206 4.8562 4.8562 4.8944 4.8944 5.8018 5.8018 5.8598 5.8598 6.0780 6.0780 6.0864 6.0864 6.6582 6.6582 6.6819 6.6819 7.2353 7.2353 7.2945 7.2945 7.6387 7.6387 7.7141 7.7141 7.9676 7.9676 8.0306 8.0306 9.0601 9.0601 9.0893 9.0893 9.5410 9.5410 9.6072 9.6072 10.7175 10.7175 10.7410 10.7410 11.0698 11.0698 11.0838 11.0838 11.6264 11.6264 11.7251 11.7251 k = 0.2941 0.5000 0.2941 ( 9170 PWs) bands (ev): -1.7289 -1.7289 -1.7265 -1.7265 -1.0204 -1.0204 -1.0120 -1.0120 -0.2283 -0.2283 -0.2250 -0.2250 0.1565 0.1565 0.1790 0.1790 2.7021 2.7021 2.7365 2.7365 2.8210 2.8210 2.8226 2.8226 3.0664 3.0664 3.1083 3.1083 3.2099 3.2099 3.2103 3.2103 3.7509 3.7509 3.8516 3.8516 3.9667 3.9667 4.0059 4.0059 4.3433 4.3433 4.4315 4.4315 4.4648 4.4648 4.5191 4.5191 4.7869 4.7869 4.8068 4.8068 4.8504 4.8504 4.8901 4.8901 5.7196 5.7196 5.7581 5.7581 6.0037 6.0037 6.0161 6.0161 6.6701 6.6701 6.6843 6.6843 7.2121 7.2121 7.2806 7.2806 7.6336 7.6336 7.6860 7.6860 7.9560 7.9560 8.0121 8.0121 9.1383 9.1383 9.1689 9.1689 9.6478 9.6478 9.7224 9.7224 10.6474 10.6474 10.6706 10.6706 11.0958 11.0958 11.1059 11.1059 11.6923 11.6923 11.7914 11.7914 k = 0.2794 0.5000 0.2794 ( 9174 PWs) bands (ev): -1.7765 -1.7765 -1.7743 -1.7743 -1.0091 -1.0091 -1.0008 -1.0008 -0.1962 -0.1962 -0.1917 -0.1917 0.1995 0.1995 0.2239 0.2239 2.7124 2.7124 2.7462 2.7462 2.8266 2.8266 2.8372 2.8372 3.0719 3.0719 3.1130 3.1130 3.2382 3.2382 3.2485 3.2485 3.7395 3.7395 3.8297 3.8297 3.9602 3.9602 4.0076 4.0076 4.3227 4.3227 4.4215 4.4215 4.4631 4.4631 4.5142 4.5142 4.7679 4.7679 4.7924 4.7924 4.8459 4.8459 4.8857 4.8857 5.6373 5.6373 5.6572 5.6572 5.9318 5.9318 5.9500 5.9500 6.6799 6.6799 6.6883 6.6883 7.1886 7.1886 7.2643 7.2643 7.6281 7.6281 7.6589 7.6589 7.9520 7.9520 8.0010 8.0010 9.2123 9.2123 9.2444 9.2444 9.7520 9.7520 9.8370 9.8370 10.5622 10.5622 10.5862 10.5862 11.1224 11.1224 11.1272 11.1272 11.7572 11.7572 11.8554 11.8554 k = 0.2647 0.5000 0.2647 ( 9162 PWs) bands (ev): -1.8222 -1.8222 -1.8202 -1.8202 -0.9974 -0.9974 -0.9892 -0.9892 -0.1628 -0.1628 -0.1570 -0.1570 0.2395 0.2395 0.2658 0.2658 2.7232 2.7232 2.7555 2.7555 2.8309 2.8309 2.8516 2.8516 3.0769 3.0769 3.1178 3.1178 3.2686 3.2686 3.2892 3.2892 3.7283 3.7283 3.8073 3.8073 3.9539 3.9539 4.0103 4.0103 4.3012 4.3012 4.4101 4.4101 4.4613 4.4613 4.5099 4.5099 4.7476 4.7476 4.7776 4.7776 4.8429 4.8429 4.8813 4.8813 5.5571 5.5571 5.5601 5.5601 5.8630 5.8630 5.8872 5.8872 6.6865 6.6865 6.6920 6.6920 7.1656 7.1656 7.2460 7.2460 7.6203 7.6203 7.6321 7.6321 7.9557 7.9557 7.9983 7.9983 9.2815 9.2815 9.3154 9.3154 9.8518 9.8518 9.9496 9.9496 10.4654 10.4654 10.4919 10.4919 11.1473 11.1473 11.1496 11.1496 11.8190 11.8190 11.9143 11.9143 k = 0.2500 0.5000 0.2500 ( 9182 PWs) bands (ev): -1.8659 -1.8659 -1.8641 -1.8641 -0.9854 -0.9854 -0.9775 -0.9775 -0.1281 -0.1281 -0.1210 -0.1210 0.2764 0.2764 0.3046 0.3046 2.7345 2.7345 2.7643 2.7643 2.8357 2.8357 2.8642 2.8642 3.0818 3.0818 3.1226 3.1226 3.3009 3.3009 3.3305 3.3305 3.7176 3.7176 3.7848 3.7848 3.9478 3.9478 4.0134 4.0134 4.2792 4.2792 4.3969 4.3969 4.4593 4.4593 4.5063 4.5063 4.7262 4.7262 4.7626 4.7626 4.8418 4.8418 4.8768 4.8768 5.4687 5.4687 5.4814 5.4814 5.7977 5.7977 5.8274 5.8274 6.6888 6.6888 6.6940 6.6940 7.1442 7.1442 7.2266 7.2266 7.6049 7.6049 7.6091 7.6091 7.9669 7.9669 8.0042 8.0042 9.3452 9.3452 9.3811 9.3811 9.9426 9.9426 10.0573 10.0573 10.3627 10.3627 10.3949 10.3949 11.1661 11.1661 11.1775 11.1775 11.8744 11.8744 11.9634 11.9634 k = 0.2353 0.5000 0.2353 ( 9150 PWs) bands (ev): -1.9076 -1.9076 -1.9059 -1.9059 -0.9733 -0.9733 -0.9655 -0.9655 -0.0925 -0.0925 -0.0838 -0.0838 0.3101 0.3101 0.3403 0.3403 2.7462 2.7462 2.7723 2.7723 2.8412 2.8412 2.8751 2.8751 3.0866 3.0866 3.1273 3.1273 3.3340 3.3340 3.3707 3.3707 3.7078 3.7078 3.7623 3.7623 3.9422 3.9422 4.0165 4.0165 4.2576 4.2576 4.3817 4.3817 4.4570 4.4570 4.5036 4.5036 4.7039 4.7039 4.7475 4.7475 4.8430 4.8430 4.8724 4.8724 5.3845 5.3845 5.4119 5.4119 5.7360 5.7360 5.7706 5.7706 6.6862 6.6862 6.6933 6.6933 7.1255 7.1255 7.2072 7.2072 7.5766 7.5766 7.5939 7.5939 7.9847 7.9847 8.0180 8.0180 9.4022 9.4022 9.4404 9.4404 10.0123 10.0123 10.1437 10.1437 10.2740 10.2740 10.3107 10.3107 11.1840 11.1840 11.2068 11.2068 11.9190 11.9190 11.9971 11.9971 k = 0.2206 0.5000 0.2206 ( 9146 PWs) bands (ev): -1.9471 -1.9471 -1.9455 -1.9455 -0.9611 -0.9611 -0.9536 -0.9536 -0.0561 -0.0561 -0.0459 -0.0459 0.3407 0.3407 0.3727 0.3727 2.7582 2.7582 2.7795 2.7795 2.8474 2.8474 2.8844 2.8844 3.0917 3.0917 3.1318 3.1318 3.3667 3.3667 3.4078 3.4078 3.6996 3.6996 3.7402 3.7402 3.9371 3.9371 4.0179 4.0179 4.2380 4.2380 4.3641 4.3641 4.4541 4.4541 4.5021 4.5021 4.6811 4.6811 4.7328 4.7328 4.8467 4.8467 4.8679 4.8679 5.3087 5.3087 5.3502 5.3502 5.6782 5.6782 5.7170 5.7170 6.6783 6.6783 6.6891 6.6891 7.1102 7.1102 7.1890 7.1890 7.5469 7.5469 7.5748 7.5748 8.0079 8.0079 8.0382 8.0382 9.4504 9.4504 9.4911 9.4911 10.0276 10.0276 10.1108 10.1108 10.2760 10.2760 10.3009 10.3009 11.2019 11.2019 11.2385 11.2385 11.9485 11.9485 12.0137 12.0137 k = 0.2059 0.5000 0.2059 ( 9146 PWs) bands (ev): -1.9843 -1.9843 -1.9829 -1.9829 -0.9490 -0.9490 -0.9417 -0.9417 -0.0193 -0.0193 -0.0073 -0.0073 0.3681 0.3681 0.4019 0.4019 2.7701 2.7701 2.7855 2.7855 2.8544 2.8544 2.8925 2.8925 3.0970 3.0970 3.1360 3.1360 3.3976 3.3976 3.4395 3.4395 3.6937 3.6937 3.7187 3.7187 3.9325 3.9325 4.0154 4.0154 4.2227 4.2227 4.3439 4.3439 4.4503 4.4503 4.5021 4.5021 4.6587 4.6587 4.7191 4.7191 4.8534 4.8534 4.8637 4.8637 5.2419 5.2419 5.2974 5.2974 5.6245 5.6245 5.6668 5.6668 6.6650 6.6650 6.6811 6.6811 7.0984 7.0984 7.1725 7.1725 7.5157 7.5157 7.5526 7.5526 8.0347 8.0347 8.0629 8.0629 9.4860 9.4860 9.5293 9.5293 9.9773 9.9773 10.0189 10.0189 10.3073 10.3073 10.3874 10.3874 11.2216 11.2216 11.2741 11.2741 11.9622 11.9622 12.0169 12.0169 k = 0.1912 0.5000 0.1912 ( 9134 PWs) bands (ev): -2.0192 -2.0192 -2.0179 -2.0179 -0.9370 -0.9370 -0.9300 -0.9300 0.0178 0.0178 0.0315 0.0315 0.3924 0.3924 0.4280 0.4280 2.7818 2.7818 2.7903 2.7903 2.8625 2.8625 2.8997 2.8997 3.1025 3.1025 3.1398 3.1398 3.4256 3.4256 3.4636 3.4636 3.6906 3.6906 3.6983 3.6983 3.9284 3.9284 4.0066 4.0066 4.2144 4.2144 4.3216 4.3216 4.4453 4.4453 4.5036 4.5036 4.6374 4.6374 4.7072 4.7072 4.8598 4.8598 4.8632 4.8632 5.1847 5.1847 5.2539 5.2539 5.5753 5.5753 5.6205 5.6205 6.6469 6.6469 6.6694 6.6694 7.0899 7.0899 7.1581 7.1581 7.4833 7.4833 7.5277 7.5277 8.0634 8.0634 8.0901 8.0901 9.5020 9.5020 9.5468 9.5468 9.9132 9.9132 9.9381 9.9381 10.3615 10.3615 10.4704 10.4704 11.2459 11.2459 11.3156 11.3156 11.9628 11.9628 12.0110 12.0110 k = 0.1765 0.5000 0.1765 ( 9138 PWs) bands (ev): -2.0517 -2.0517 -2.0506 -2.0506 -0.9252 -0.9252 -0.9186 -0.9186 0.0548 0.0548 0.0703 0.0703 0.4139 0.4139 0.4510 0.4510 2.7929 2.7929 2.7939 2.7939 2.8716 2.8716 2.9064 2.9064 3.1084 3.1084 3.1429 3.1429 3.4494 3.4494 3.4786 3.4786 3.6793 3.6793 3.6902 3.6902 3.9246 3.9246 3.9901 3.9901 4.2141 4.2141 4.2980 4.2980 4.4391 4.4391 4.5068 4.5068 4.6180 4.6180 4.6979 4.6979 4.8565 4.8565 4.8760 4.8760 5.1370 5.1370 5.2200 5.2200 5.5311 5.5311 5.5784 5.5784 6.6246 6.6246 6.6541 6.6541 7.0838 7.0838 7.1453 7.1453 7.4501 7.4501 7.5008 7.5008 8.0922 8.0922 8.1177 8.1177 9.4900 9.4900 9.5328 9.5328 9.8717 9.8717 9.8852 9.8852 10.4141 10.4141 10.5409 10.5409 11.2782 11.2782 11.3647 11.3647 11.9534 11.9534 11.9988 11.9988 k = 0.1618 0.5000 0.1618 ( 9146 PWs) bands (ev): -2.0818 -2.0818 -2.0808 -2.0808 -0.9138 -0.9138 -0.9075 -0.9075 0.0913 0.0913 0.1086 0.1086 0.4326 0.4326 0.4711 0.4711 2.7964 2.7964 2.8029 2.8029 2.8816 2.8816 2.9131 2.9131 3.1145 3.1145 3.1452 3.1452 3.4681 3.4681 3.4846 3.4846 3.6620 3.6620 3.6914 3.6914 3.9204 3.9204 3.9675 3.9675 4.2206 4.2206 4.2747 4.2747 4.4317 4.4317 4.5110 4.5110 4.6014 4.6014 4.6916 4.6916 4.8540 4.8540 4.8913 4.8913 5.0992 5.0992 5.1951 5.1951 5.4926 5.4926 5.5411 5.5411 6.5992 6.5992 6.6357 6.6357 7.0790 7.0790 7.1333 7.1333 7.4167 7.4167 7.4725 7.4725 8.1192 8.1192 8.1437 8.1437 9.4491 9.4491 9.4870 9.4870 9.8618 9.8618 9.8646 9.8646 10.4575 10.4575 10.5948 10.5948 11.3213 11.3213 11.4226 11.4226 11.9366 11.9366 11.9825 11.9825 k = 0.1471 0.5000 0.1471 ( 9142 PWs) bands (ev): -2.1094 -2.1094 -2.1085 -2.1085 -0.9029 -0.9029 -0.8971 -0.8971 0.1270 0.1270 0.1462 0.1462 0.4487 0.4487 0.4883 0.4883 2.7978 2.7978 2.8113 2.8113 2.8924 2.8924 2.9205 2.9205 3.1208 3.1208 3.1466 3.1466 3.4811 3.4811 3.4830 3.4830 3.6463 3.6463 3.6921 3.6921 3.9154 3.9154 3.9413 3.9413 4.2308 4.2308 4.2532 4.2532 4.4238 4.4238 4.5150 4.5150 4.5889 4.5889 4.6881 4.6881 4.8527 4.8527 4.9071 4.9071 5.0722 5.0722 5.1782 5.1782 5.4609 5.4609 5.5093 5.5093 6.5715 6.5715 6.6148 6.6148 7.0745 7.0745 7.1207 7.1207 7.3843 7.3843 7.4436 7.4436 8.1429 8.1429 8.1660 8.1660 9.3913 9.3913 9.4247 9.4247 9.8671 9.8671 9.8726 9.8726 10.4900 10.4900 10.6308 10.6308 11.3760 11.3760 11.4892 11.4892 11.9146 11.9146 11.9643 11.9643 k = 0.1324 0.5000 0.1324 ( 9134 PWs) bands (ev): -2.1344 -2.1344 -2.1337 -2.1337 -0.8926 -0.8926 -0.8872 -0.8872 0.1616 0.1616 0.1825 0.1825 0.4624 0.4624 0.5028 0.5028 2.7984 2.7984 2.8177 2.8177 2.9039 2.9039 2.9291 2.9291 3.1271 3.1271 3.1467 3.1467 3.4757 3.4757 3.4884 3.4884 3.6321 3.6321 3.6904 3.6904 3.9091 3.9091 3.9149 3.9149 4.2351 4.2351 4.2416 4.2416 4.4162 4.4162 4.5166 4.5166 4.5821 4.5821 4.6868 4.6868 4.8528 4.8528 4.9198 4.9198 5.0580 5.0580 5.1678 5.1678 5.4374 5.4374 5.4841 5.4841 6.5421 6.5421 6.5916 6.5916 7.0689 7.0689 7.1060 7.1060 7.3543 7.3543 7.4148 7.4148 8.1616 8.1616 8.1831 8.1831 9.3308 9.3308 9.3612 9.3612 9.8809 9.8809 9.8916 9.8916 10.5120 10.5120 10.6500 10.6500 11.4402 11.4402 11.5634 11.5634 11.8895 11.8895 11.9469 11.9469 k = 0.1176 0.5000 0.1176 ( 9130 PWs) bands (ev): -2.1569 -2.1569 -2.1563 -2.1563 -0.8830 -0.8830 -0.8781 -0.8781 0.1947 0.1947 0.2170 0.2170 0.4740 0.4740 0.5146 0.5146 2.7985 2.7985 2.8219 2.8219 2.9159 2.9159 2.9390 2.9390 3.1331 3.1331 3.1456 3.1456 3.4647 3.4647 3.4903 3.4903 3.6189 3.6189 3.6851 3.6851 3.8909 3.8909 3.9016 3.9016 4.2212 4.2212 4.2505 4.2505 4.4102 4.4102 4.5139 4.5139 4.5822 4.5822 4.6867 4.6867 4.8542 4.8542 4.9249 4.9249 5.0586 5.0586 5.1619 5.1619 5.4241 5.4241 5.4668 5.4668 6.5119 6.5119 6.5665 6.5665 7.0611 7.0611 7.0876 7.0876 7.3284 7.3284 7.3870 7.3870 8.1743 8.1743 8.1937 8.1937 9.2768 9.2768 9.3049 9.3049 9.8981 9.8981 9.9117 9.9117 10.5257 10.5257 10.6558 10.6558 11.5085 11.5085 11.6420 11.6420 11.8638 11.8638 11.9338 11.9338 k = 0.1029 0.5000 0.1029 ( 9136 PWs) bands (ev): -2.1769 -2.1769 -2.1763 -2.1763 -0.8741 -0.8741 -0.8698 -0.8698 0.2258 0.2258 0.2491 0.2491 0.4837 0.4837 0.5238 0.5238 2.7982 2.7982 2.8237 2.8237 2.9283 2.9283 2.9504 2.9504 3.1385 3.1385 3.1431 3.1431 3.4515 3.4515 3.4878 3.4878 3.6061 3.6061 3.6761 3.6761 3.8711 3.8711 3.8932 3.8932 4.2115 4.2115 4.2558 4.2558 4.4068 4.4068 4.5074 4.5074 4.5878 4.5878 4.6865 4.6865 4.8569 4.8569 4.9222 4.9222 5.0711 5.0711 5.1579 5.1579 5.4227 5.4227 5.4591 5.4591 6.4812 6.4812 6.5397 6.5397 7.0500 7.0500 7.0647 7.0647 7.3079 7.3079 7.3615 7.3615 8.1806 8.1806 8.1973 8.1973 9.2339 9.2339 9.2597 9.2597 9.9150 9.9150 9.9297 9.9297 10.5334 10.5334 10.6522 10.6522 11.5728 11.5728 11.7179 11.7179 11.8435 11.8435 11.9305 11.9305 k = 0.0882 0.5000 0.0882 ( 9140 PWs) bands (ev): -2.1942 -2.1942 -2.1937 -2.1937 -0.8662 -0.8662 -0.8624 -0.8624 0.2546 0.2546 0.2784 0.2784 0.4918 0.4918 0.5307 0.5307 2.7978 2.7978 2.8234 2.8234 2.9410 2.9410 2.9628 2.9628 3.1393 3.1393 3.1429 3.1429 3.4377 3.4377 3.4816 3.4816 3.5941 3.5941 3.6641 3.6641 3.8565 3.8565 3.8848 3.8848 4.2056 4.2056 4.2567 4.2567 4.4064 4.4064 4.4987 4.4987 4.5965 4.5965 4.6855 4.6855 4.8602 4.8602 4.9153 4.9153 5.0881 5.0881 5.1537 5.1537 5.4337 5.4337 5.4625 5.4625 6.4508 6.4508 6.5111 6.5111 7.0351 7.0351 7.0380 7.0380 7.2932 7.2932 7.3392 7.3392 8.1808 8.1808 8.1946 8.1946 9.2035 9.2035 9.2267 9.2267 9.9294 9.9294 9.9440 9.9440 10.5378 10.5378 10.6428 10.6428 11.6236 11.6236 11.7614 11.7614 11.8566 11.8566 11.9440 11.9440 k = 0.0735 0.5000 0.0735 ( 9116 PWs) bands (ev): -2.2089 -2.2089 -2.2085 -2.2085 -0.8593 -0.8593 -0.8561 -0.8561 0.2806 0.2806 0.3039 0.3039 0.4988 0.4988 0.5351 0.5351 2.7975 2.7975 2.8216 2.8216 2.9538 2.9538 2.9757 2.9757 3.1346 3.1346 3.1457 3.1457 3.4247 3.4247 3.4723 3.4723 3.5838 3.5838 3.6500 3.6500 3.8469 3.8469 3.8767 3.8767 4.2027 4.2027 4.2538 4.2538 4.4089 4.4089 4.4892 4.4892 4.6066 4.6066 4.6833 4.6833 4.8638 4.8638 4.9073 4.9073 5.1034 5.1034 5.1486 5.1486 5.4558 5.4558 5.4771 5.4771 6.4214 6.4214 6.4808 6.4808 7.0096 7.0096 7.0168 7.0168 7.2837 7.2837 7.3208 7.3208 8.1763 8.1763 8.1871 8.1871 9.1848 9.1848 9.2048 9.2048 9.9406 9.9406 9.9539 9.9539 10.5408 10.5408 10.6303 10.6303 11.6542 11.6542 11.7531 11.7531 11.9209 11.9209 11.9779 11.9779 k = 0.0588 0.5000 0.0588 ( 9122 PWs) bands (ev): -2.2209 -2.2209 -2.2206 -2.2206 -0.8534 -0.8534 -0.8508 -0.8508 0.3036 0.3036 0.3252 0.3252 0.5051 0.5051 0.5374 0.5374 2.7975 2.7975 2.8186 2.8186 2.9666 2.9666 2.9880 2.9880 3.1296 3.1296 3.1463 3.1463 3.4139 3.4139 3.4605 3.4605 3.5764 3.5764 3.6350 3.6350 3.8417 3.8417 3.8692 3.8692 4.2024 4.2024 4.2481 4.2481 4.4136 4.4136 4.4796 4.4796 4.6170 4.6170 4.6798 4.6798 4.8673 4.8673 4.8998 4.8998 5.1142 5.1142 5.1428 5.1428 5.4855 5.4855 5.5008 5.5008 6.3941 6.3941 6.4492 6.4492 6.9826 6.9826 6.9962 6.9962 7.2782 7.2782 7.3065 7.3065 8.1690 8.1690 8.1769 8.1769 9.1755 9.1755 9.1920 9.1920 9.9485 9.9485 9.9598 9.9598 10.5441 10.5441 10.6169 10.6169 11.6670 11.6670 11.7328 11.7328 11.9940 11.9940 12.0270 12.0270 k = 0.0441 0.5000 0.0441 ( 9116 PWs) bands (ev): -2.2303 -2.2303 -2.2300 -2.2300 -0.8487 -0.8487 -0.8468 -0.8468 0.3231 0.3231 0.3414 0.3414 0.5109 0.5109 0.5375 0.5375 2.7981 2.7981 2.8150 2.8150 2.9788 2.9788 2.9987 2.9987 3.1253 3.1253 3.1444 3.1444 3.4066 3.4066 3.4472 3.4472 3.5728 3.5728 3.6202 3.6202 3.8398 3.8398 3.8625 3.8625 4.2040 4.2040 4.2409 4.2409 4.4198 4.4198 4.4700 4.4700 4.6273 4.6273 4.6750 4.6750 4.8706 4.8706 4.8933 4.8933 5.1204 5.1204 5.1372 5.1372 5.5178 5.5178 5.5289 5.5289 6.3708 6.3708 6.4177 6.4177 6.9598 6.9598 6.9754 6.9754 7.2757 7.2757 7.2958 7.2958 8.1609 8.1609 8.1663 8.1663 9.1729 9.1729 9.1855 9.1855 9.9536 9.9536 9.9623 9.9623 10.5485 10.5485 10.6036 10.6036 11.6701 11.6701 11.7128 11.7128 12.0606 12.0606 12.0798 12.0798 k = 0.0294 0.5000 0.0294 ( 9116 PWs) bands (ev): -2.2370 -2.2370 -2.2368 -2.2368 -0.8453 -0.8453 -0.8439 -0.8439 0.3386 0.3386 0.3520 0.3520 0.5166 0.5166 0.5357 0.5357 2.7993 2.7993 2.8111 2.8111 2.9902 2.9902 3.0060 3.0060 3.1231 3.1231 3.1401 3.1401 3.4036 3.4036 3.4337 3.4337 3.5732 3.5732 3.6064 3.6064 3.8405 3.8405 3.8565 3.8565 4.2073 4.2073 4.2330 4.2330 4.4270 4.4270 4.4607 4.4607 4.6370 4.6370 4.6692 4.6692 4.8736 4.8736 4.8879 4.8879 5.1235 5.1235 5.1325 5.1325 5.5473 5.5473 5.5549 5.5549 6.3540 6.3540 6.3884 6.3884 6.9435 6.9435 6.9568 6.9568 7.2752 7.2752 7.2881 7.2881 8.1539 8.1539 8.1572 8.1572 9.1740 9.1740 9.1826 9.1826 9.9567 9.9567 9.9625 9.9625 10.5543 10.5543 10.5913 10.5913 11.6701 11.6701 11.6961 11.6961 12.1144 12.1144 12.1255 12.1255 k = 0.0147 0.5000 0.0147 ( 9108 PWs) bands (ev): -2.2410 -2.2410 -2.2409 -2.2409 -0.8430 -0.8430 -0.8423 -0.8423 0.3497 0.3497 0.3569 0.3569 0.5223 0.5223 0.5323 0.5323 2.8013 2.8013 2.8073 2.8073 2.9997 2.9997 3.0087 3.0087 3.1241 3.1241 3.1342 3.1342 3.4054 3.4054 3.4213 3.4213 3.5772 3.5772 3.5943 3.5943 3.8429 3.8429 3.8511 3.8511 4.2122 4.2122 4.2253 4.2253 4.4347 4.4347 4.4517 4.4517 4.6462 4.6462 4.6623 4.6623 4.8766 4.8766 4.8835 4.8835 5.1252 5.1252 5.1290 5.1290 5.5687 5.5687 5.5727 5.5727 6.3464 6.3464 6.3647 6.3647 6.9352 6.9352 6.9427 6.9427 7.2763 7.2763 7.2826 7.2826 8.1493 8.1493 8.1509 8.1509 9.1766 9.1766 9.1809 9.1809 9.9586 9.9586 9.9615 9.9615 10.5616 10.5616 10.5801 10.5801 11.6711 11.6711 11.6834 11.6834 12.1505 12.1505 12.1557 12.1557 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -2.2423 -2.2423 -2.2423 -2.2423 -0.8420 -0.8420 -0.8420 -0.8420 0.3560 0.3560 0.3560 0.3560 0.5276 0.5276 0.5276 0.5276 2.8040 2.8040 2.8040 2.8040 3.0063 3.0063 3.0063 3.0063 3.1282 3.1282 3.1282 3.1282 3.4116 3.4116 3.4116 3.4116 3.5844 3.5844 3.5844 3.5844 3.8465 3.8465 3.8465 3.8465 4.2182 4.2182 4.2182 4.2182 4.4430 4.4430 4.4430 4.4430 4.6547 4.6547 4.6547 4.6547 4.8798 4.8798 4.8798 4.8798 5.1267 5.1267 5.1267 5.1267 5.5777 5.5777 5.5777 5.5777 6.3499 6.3499 6.3499 6.3499 6.9351 6.9351 6.9351 6.9351 7.2787 7.2787 7.2787 7.2787 8.1482 8.1482 8.1482 8.1482 9.1791 9.1791 9.1791 9.1791 9.9601 9.9601 9.9601 9.9601 10.5702 10.5702 10.5702 10.5702 11.6752 11.6752 11.6752 11.6752 12.1648 12.1648 12.1648 12.1648 k = 0.5000 0.5000-0.0000 ( 9124 PWs) bands (ev): -1.5367 -1.5367 -1.5367 -1.5367 -1.5338 -1.5338 -1.5338 -1.5338 0.2060 0.2060 0.2060 0.2060 0.2273 0.2273 0.2273 0.2273 2.8410 2.8410 2.8410 2.8410 2.8518 2.8518 2.8518 2.8518 3.2493 3.2493 3.2493 3.2493 3.3078 3.3078 3.3078 3.3078 3.7212 3.7212 3.7212 3.7212 3.9042 3.9042 3.9042 3.9042 4.3298 4.3298 4.3298 4.3298 4.4063 4.4063 4.4063 4.4063 4.7393 4.7393 4.7393 4.7393 4.7470 4.7470 4.7470 4.7470 5.3815 5.3815 5.3815 5.3815 5.4222 5.4222 5.4222 5.4222 7.0046 7.0046 7.0046 7.0046 7.0268 7.0268 7.0268 7.0268 8.0197 8.0197 8.0197 8.0197 8.1048 8.1048 8.1048 8.1048 9.8929 9.8929 9.8929 9.8929 10.0123 10.0123 10.0123 10.0123 10.3394 10.3394 10.3394 10.3394 10.3934 10.3934 10.3934 10.3934 12.0233 12.0233 12.0233 12.0233 k = 0.5000 0.5000 0.0208 ( 9168 PWs) bands (ev): -1.5358 -1.5358 -1.5352 -1.5352 -1.5327 -1.5327 -1.5326 -1.5326 0.2032 0.2032 0.2042 0.2042 0.2245 0.2245 0.2253 0.2253 2.8402 2.8402 2.8407 2.8407 2.8499 2.8499 2.8518 2.8518 3.2366 3.2366 3.2589 3.2589 3.2935 3.2935 3.3163 3.3163 3.7002 3.7002 3.7463 3.7463 3.8887 3.8887 3.9193 3.9193 4.3181 4.3181 4.3474 4.3474 4.3986 4.3986 4.4155 4.4155 4.7277 4.7277 4.7404 4.7404 4.7408 4.7408 4.7668 4.7668 5.3834 5.3834 5.3885 5.3885 5.4237 5.4237 5.4303 5.4303 7.0035 7.0035 7.0041 7.0041 7.0209 7.0209 7.0307 7.0307 8.0164 8.0164 8.0232 8.0232 8.1033 8.1033 8.1068 8.1068 9.8626 9.8626 9.8929 9.8929 9.9837 9.9837 9.9952 9.9952 10.3563 10.3563 10.3648 10.3648 10.3942 10.3942 10.4189 10.4189 12.0147 12.0147 12.0283 12.0283 k = 0.5000 0.5000 0.0417 ( 9172 PWs) bands (ev): -1.5326 -1.5326 -1.5314 -1.5314 -1.5292 -1.5292 -1.5290 -1.5290 0.1960 0.1960 0.1979 0.1979 0.2171 0.2171 0.2187 0.2187 2.8384 2.8384 2.8397 2.8397 2.8462 2.8462 2.8498 2.8498 3.2217 3.2217 3.2644 3.2644 3.2751 3.2751 3.3171 3.3171 3.6850 3.6850 3.7734 3.7734 3.8746 3.8746 3.9330 3.9330 4.3121 4.3121 4.3706 4.3706 4.3925 4.3925 4.4256 4.4256 4.7098 4.7098 4.7439 4.7439 4.7447 4.7447 4.7863 4.7863 5.3940 5.3940 5.4046 5.4046 5.4346 5.4346 5.4479 5.4479 7.0008 7.0008 7.0020 7.0020 7.0127 7.0127 7.0323 7.0323 8.0132 8.0132 8.0270 8.0270 8.1024 8.1024 8.1092 8.1092 9.8097 9.8097 9.8623 9.8623 9.9227 9.9227 9.9436 9.9436 10.4020 10.4020 10.4209 10.4209 10.4213 10.4213 10.4623 10.4623 12.0083 12.0083 12.0290 12.0290 k = 0.5000 0.5000 0.0625 ( 9172 PWs) bands (ev): -1.5270 -1.5270 -1.5252 -1.5252 -1.5233 -1.5233 -1.5231 -1.5231 0.1843 0.1843 0.1871 0.1871 0.2052 0.2052 0.2076 0.2076 2.8351 2.8351 2.8380 2.8380 2.8407 2.8407 2.8456 2.8456 3.2056 3.2056 3.2543 3.2543 3.2654 3.2654 3.3096 3.3096 3.6769 3.6769 3.8009 3.8009 3.8633 3.8633 3.9446 3.9446 4.3110 4.3110 4.3885 4.3885 4.3980 4.3980 4.4362 4.4362 4.6945 4.6945 4.7496 4.7496 4.7507 4.7507 4.8046 4.8046 5.4131 5.4131 5.4300 5.4300 5.4551 5.4551 5.4751 5.4751 6.9964 6.9964 6.9985 6.9985 7.0026 7.0026 7.0318 7.0318 8.0103 8.0103 8.0311 8.0311 8.1022 8.1022 8.1120 8.1120 9.7430 9.7430 9.8092 9.8092 9.8465 9.8465 9.8749 9.8749 10.4592 10.4592 10.4666 10.4666 10.4899 10.4899 10.5145 10.5145 12.0044 12.0044 12.0317 12.0317 k = 0.5000 0.5000 0.0833 ( 9172 PWs) bands (ev): -1.5191 -1.5191 -1.5167 -1.5167 -1.5151 -1.5151 -1.5148 -1.5148 0.1684 0.1684 0.1720 0.1720 0.1888 0.1888 0.1919 0.1919 2.8304 2.8304 2.8336 2.8336 2.8358 2.8358 2.8393 2.8393 3.1893 3.1893 3.2326 3.2326 3.2617 3.2617 3.2941 3.2941 3.6758 3.6758 3.8274 3.8274 3.8559 3.8559 3.9539 3.9539 4.3139 4.3139 4.3866 4.3866 4.4274 4.4274 4.4470 4.4470 4.6831 4.6831 4.7573 4.7573 4.7586 4.7586 4.8212 4.8212 5.4406 5.4406 5.4646 5.4646 5.4849 5.4849 5.5119 5.5119 6.9906 6.9906 6.9906 6.9906 6.9939 6.9939 7.0294 7.0294 8.0075 8.0075 8.0353 8.0353 8.1026 8.1026 8.1152 8.1152 9.6685 9.6685 9.7423 9.7423 9.7639 9.7639 9.7982 9.7982 10.5186 10.5186 10.5211 10.5211 10.5619 10.5619 10.5690 10.5690 12.0030 12.0030 12.0359 12.0360 k = 0.5000 0.5000 0.1042 ( 9180 PWs) bands (ev): -1.5090 -1.5090 -1.5060 -1.5060 -1.5046 -1.5046 -1.5042 -1.5042 0.1484 0.1484 0.1527 0.1527 0.1682 0.1682 0.1720 0.1720 2.8239 2.8239 2.8249 2.8249 2.8309 2.8309 2.8333 2.8333 3.1734 3.1734 3.2110 3.2110 3.2537 3.2537 3.2722 3.2722 3.6805 3.6805 3.8522 3.8522 3.8528 3.8528 3.9614 3.9614 4.3199 4.3199 4.3868 4.3868 4.4557 4.4557 4.4576 4.4576 4.6772 4.6772 4.7666 4.7666 4.7680 4.7680 4.8358 4.8358 5.4767 5.4767 5.5082 5.5082 5.5240 5.5240 5.5579 5.5579 6.9770 6.9770 6.9836 6.9836 6.9885 6.9885 7.0252 7.0252 8.0049 8.0049 8.0399 8.0399 8.1038 8.1038 8.1186 8.1186 9.5895 9.5895 9.6674 9.6674 9.6787 9.6787 9.7176 9.7176 10.5760 10.5760 10.5786 10.5786 10.6217 10.6217 10.6321 10.6321 12.0042 12.0042 12.0407 12.0407 k = 0.5000 0.5000 0.1250 ( 9184 PWs) bands (ev): -1.4966 -1.4966 -1.4930 -1.4930 -1.4918 -1.4918 -1.4914 -1.4914 0.1245 0.1245 0.1295 0.1295 0.1437 0.1437 0.1481 0.1481 2.8149 2.8149 2.8158 2.8158 2.8205 2.8205 2.8306 2.8306 3.1585 3.1585 3.1905 3.1905 3.2422 3.2422 3.2458 3.2458 3.6894 3.6894 3.8541 3.8541 3.8748 3.8748 3.9673 3.9673 4.3284 4.3284 4.3889 4.3889 4.4680 4.4680 4.4794 4.4794 4.6787 4.6787 4.7770 4.7770 4.7785 4.7785 4.8484 4.8484 5.5214 5.5214 5.5600 5.5600 5.5719 5.5719 5.6128 5.6128 6.9622 6.9622 6.9754 6.9754 6.9827 6.9827 7.0195 7.0195 8.0023 8.0023 8.0446 8.0446 8.1059 8.1059 8.1221 8.1221 9.5082 9.5082 9.5879 9.5879 9.5930 9.5930 9.6351 9.6351 10.6290 10.6290 10.6351 10.6351 10.6702 10.6702 10.6973 10.6973 12.0073 12.0073 12.0441 12.0441 k = 0.5000 0.5000 0.1458 ( 9184 PWs) bands (ev): -1.4820 -1.4820 -1.4778 -1.4778 -1.4768 -1.4768 -1.4763 -1.4763 0.0970 0.0970 0.1025 0.1025 0.1153 0.1153 0.1203 0.1203 2.8036 2.8036 2.8058 2.8058 2.8084 2.8084 2.8277 2.8277 3.1450 3.1450 3.1715 3.1715 3.2168 3.2168 3.2280 3.2280 3.7009 3.7009 3.8592 3.8592 3.8951 3.8951 3.9722 3.9722 4.3385 4.3385 4.3926 4.3926 4.4780 4.4780 4.4957 4.4957 4.6887 4.6887 4.7880 4.7880 4.7898 4.7898 4.8591 4.8591 5.5746 5.5746 5.6190 5.6190 5.6283 5.6283 5.6760 5.6760 6.9465 6.9465 6.9666 6.9666 6.9772 6.9772 7.0127 7.0127 7.9998 7.9998 8.0496 8.0496 8.1088 8.1088 8.1258 8.1258 9.4257 9.4257 9.5059 9.5059 9.5077 9.5077 9.5516 9.5516 10.6763 10.6763 10.6882 10.6882 10.7129 10.7129 10.7558 10.7558 12.0108 12.0108 12.0433 12.0433 k = 0.5000 0.5000 0.1667 ( 9148 PWs) bands (ev): -1.4653 -1.4653 -1.4604 -1.4604 -1.4597 -1.4597 -1.4591 -1.4591 0.0662 0.0662 0.0721 0.0721 0.0836 0.0836 0.0891 0.0891 2.7912 2.7912 2.7943 2.7943 2.7948 2.7948 2.8247 2.8247 3.1330 3.1330 3.1546 3.1546 3.1867 3.1867 3.2124 3.2124 3.7139 3.7139 3.8674 3.8674 3.9130 3.9130 3.9765 3.9765 4.3498 4.3498 4.3977 4.3977 4.4876 4.4876 4.5045 4.5045 4.7063 4.7063 4.7995 4.7995 4.8015 4.8015 4.8682 4.8682 5.6358 5.6358 5.6839 5.6839 5.6922 5.6922 5.7468 5.7468 6.9305 6.9305 6.9576 6.9576 6.9727 6.9727 7.0053 7.0053 7.9974 7.9974 8.0547 8.0547 8.1126 8.1126 8.1295 8.1295 9.3428 9.3428 9.4226 9.4226 9.4232 9.4232 9.4678 9.4678 10.7172 10.7172 10.7362 10.7362 10.7490 10.7490 10.8061 10.8061 12.0118 12.0118 12.0344 12.0349 k = 0.5000 0.5000 0.1875 ( 9164 PWs) bands (ev): -1.4466 -1.4466 -1.4411 -1.4411 -1.4405 -1.4405 -1.4399 -1.4399 0.0324 0.0324 0.0386 0.0386 0.0489 0.0489 0.0548 0.0548 2.7780 2.7780 2.7802 2.7802 2.7815 2.7815 2.8217 2.8217 3.1227 3.1227 3.1398 3.1398 3.1566 3.1566 3.1961 3.1961 3.7276 3.7276 3.8781 3.8781 3.9288 3.9288 3.9805 3.9805 4.3619 4.3619 4.4039 4.4039 4.4968 4.4968 4.5074 4.5074 4.7288 4.7288 4.8111 4.8111 4.8133 4.8133 4.8759 4.8759 5.7046 5.7046 5.7530 5.7530 5.7627 5.7627 5.8238 5.8238 6.9149 6.9149 6.9488 6.9488 6.9702 6.9702 6.9980 6.9980 7.9948 7.9948 8.0597 8.0597 8.1173 8.1173 8.1329 8.1329 9.2599 9.2599 9.3387 9.3387 9.3401 9.3401 9.3840 9.3840 10.7513 10.7513 10.7783 10.7783 10.7783 10.7783 10.8476 10.8476 12.0063 12.0063 12.0078 12.0078 k = 0.5000 0.5000 0.2083 ( 9176 PWs) bands (ev): -1.4260 -1.4260 -1.4198 -1.4198 -1.4194 -1.4194 -1.4187 -1.4187 -0.0039 -0.0039 0.0024 0.0024 0.0115 0.0115 0.0178 0.0178 2.7641 2.7641 2.7650 2.7650 2.7676 2.7676 2.8187 2.8187 3.1138 3.1138 3.1271 3.1271 3.1272 3.1272 3.1800 3.1800 3.7413 3.7413 3.8904 3.8904 3.9427 3.9427 3.9843 3.9843 4.3743 4.3743 4.4108 4.4108 4.5057 4.5057 4.5069 4.5069 4.7532 4.7532 4.8226 4.8226 4.8251 4.8251 4.8825 4.8825 5.7797 5.7797 5.8245 5.8245 5.8384 5.8384 5.9059 5.9059 6.9008 6.9008 6.9411 6.9411 6.9708 6.9708 6.9915 6.9915 7.9920 7.9920 8.0647 8.0647 8.1229 8.1229 8.1360 8.1360 9.1776 9.1776 9.2546 9.2546 9.2583 9.2583 9.3005 9.3005 10.7789 10.7789 10.8010 10.8010 10.8139 10.8139 10.8801 10.8801 11.9647 11.9647 11.9774 11.9774 k = 0.5000 0.5000 0.2292 ( 9168 PWs) bands (ev): -1.4035 -1.4035 -1.3966 -1.3966 -1.3964 -1.3964 -1.3957 -1.3957 -0.0425 -0.0425 -0.0361 -0.0361 -0.0282 -0.0282 -0.0216 -0.0216 2.7495 2.7495 2.7498 2.7498 2.7530 2.7530 2.8158 2.8158 3.0990 3.0990 3.1062 3.1062 3.1164 3.1164 3.1645 3.1645 3.7547 3.7547 3.9038 3.9038 3.9549 3.9549 3.9881 3.9881 4.3869 4.3869 4.4182 4.4182 4.5046 4.5046 4.5142 4.5142 4.7775 4.7775 4.8339 4.8339 4.8367 4.8367 4.8884 4.8884 5.8598 5.8598 5.8964 5.8964 5.9177 5.9177 5.9912 5.9912 6.8893 6.8893 6.9355 6.9355 6.9762 6.9762 6.9870 6.9870 7.9889 7.9889 8.0693 8.0693 8.1293 8.1293 8.1384 8.1384 9.0959 9.0959 9.1705 9.1705 9.1781 9.1781 9.2174 9.2174 10.8004 10.8004 10.8177 10.8177 10.8429 10.8429 10.9041 10.9041 11.9052 11.9052 11.9252 11.9252 k = 0.5000 0.5000 0.2500 ( 9160 PWs) bands (ev): -1.3795 -1.3795 -1.3719 -1.3719 -1.3718 -1.3718 -1.3710 -1.3710 -0.0828 -0.0828 -0.0765 -0.0765 -0.0697 -0.0697 -0.0628 -0.0628 2.7342 2.7342 2.7355 2.7355 2.7382 2.7382 2.8130 2.8130 3.0725 3.0725 3.0998 3.0998 3.1075 3.1075 3.1501 3.1501 3.7676 3.7676 3.9177 3.9177 3.9657 3.9657 3.9918 3.9918 4.3994 4.3994 4.4259 4.4259 4.5017 4.5017 4.5225 4.5225 4.8006 4.8006 4.8449 4.8449 4.8480 4.8480 4.8936 4.8936 5.9431 5.9431 5.9663 5.9663 5.9986 5.9986 6.0773 6.0773 6.8824 6.8824 6.9330 6.9330 6.9859 6.9859 6.9880 6.9880 7.9852 7.9852 8.0733 8.0733 8.1365 8.1365 8.1396 8.1396 9.0154 9.0154 9.0865 9.0865 9.0995 9.0995 9.1348 9.1348 10.8161 10.8161 10.8289 10.8289 10.8656 10.8656 10.9202 10.9202 11.8314 11.8314 11.8586 11.8586 k = 0.5000 0.5000 0.2708 ( 9168 PWs) bands (ev): -1.3540 -1.3540 -1.3457 -1.3457 -1.3456 -1.3456 -1.3449 -1.3449 -0.1245 -0.1245 -0.1184 -0.1184 -0.1125 -0.1125 -0.1054 -0.1054 2.7194 2.7194 2.7213 2.7213 2.7235 2.7235 2.8104 2.8104 3.0479 3.0479 3.0944 3.0944 3.1001 3.1001 3.1368 3.1368 3.7797 3.7797 3.9318 3.9318 3.9753 3.9753 3.9957 3.9957 4.4115 4.4115 4.4336 4.4336 4.4986 4.4986 4.5304 4.5304 4.8218 4.8218 4.8554 4.8554 4.8589 4.8589 4.8985 4.8985 6.0272 6.0272 6.0318 6.0318 6.0788 6.0788 6.1613 6.1613 6.8825 6.8825 6.9355 6.9355 6.9898 6.9898 7.0082 7.0082 7.9807 7.9807 8.0762 8.0762 8.1391 8.1391 8.1444 8.1444 8.9362 8.9362 9.0028 9.0028 9.0224 9.0224 9.0529 9.0529 10.8268 10.8268 10.8356 10.8356 10.8821 10.8821 10.9293 10.9293 11.7471 11.7471 11.7808 11.7808 k = 0.5000 0.5000 0.2917 ( 9184 PWs) bands (ev): -1.3273 -1.3273 -1.3183 -1.3183 -1.3181 -1.3181 -1.3175 -1.3175 -0.1669 -0.1669 -0.1611 -0.1611 -0.1562 -0.1562 -0.1488 -0.1488 2.7053 2.7053 2.7076 2.7076 2.7092 2.7092 2.8079 2.8079 3.0253 3.0253 3.0899 3.0899 3.0940 3.0940 3.1249 3.1249 3.7909 3.7909 3.9456 3.9456 3.9839 3.9839 3.9994 3.9994 4.4231 4.4231 4.4413 4.4413 4.4958 4.4958 4.5380 4.5380 4.8410 4.8410 4.8655 4.8655 4.8694 4.8694 4.9029 4.9029 6.0905 6.0905 6.1093 6.1093 6.1554 6.1554 6.2392 6.2392 6.8932 6.8932 6.9449 6.9449 7.0011 7.0011 7.0384 7.0384 7.9749 7.9749 8.0776 8.0776 8.1359 8.1359 8.1528 8.1528 8.8590 8.8590 8.9191 8.9191 8.9471 8.9471 8.9718 8.9718 10.8332 10.8332 10.8383 10.8383 10.8928 10.8928 10.9322 10.9322 11.6568 11.6568 11.6963 11.6963 k = 0.5000 0.5000 0.3125 ( 9172 PWs) bands (ev): -1.2996 -1.2996 -1.2899 -1.2899 -1.2897 -1.2897 -1.2892 -1.2892 -0.2095 -0.2095 -0.2042 -0.2042 -0.2001 -0.2001 -0.1926 -0.1926 2.6921 2.6921 2.6945 2.6945 2.6957 2.6957 2.8056 2.8056 3.0048 3.0048 3.0861 3.0861 3.0890 3.0890 3.1143 3.1143 3.8013 3.8013 3.9588 3.9588 3.9914 3.9914 4.0032 4.0032 4.4341 4.4341 4.4488 4.4488 4.4934 4.4934 4.5451 4.5451 4.8581 4.8581 4.8750 4.8750 4.8793 4.8793 4.9071 4.9071 6.1406 6.1406 6.1863 6.1863 6.2256 6.2256 6.3067 6.3067 6.9182 6.9182 6.9638 6.9638 7.0221 7.0221 7.0801 7.0801 7.9672 7.9672 8.0766 8.0766 8.1290 8.1290 8.1616 8.1616 8.7847 8.7847 8.8355 8.8355 8.8736 8.8736 8.8921 8.8921 10.8357 10.8357 10.8379 10.8379 10.8978 10.8978 10.9298 10.9298 11.5650 11.5650 11.6091 11.6091 k = 0.5000 0.5000 0.3333 ( 9180 PWs) bands (ev): -1.2715 -1.2715 -1.2610 -1.2610 -1.2608 -1.2608 -1.2603 -1.2603 -0.2518 -0.2518 -0.2469 -0.2469 -0.2437 -0.2437 -0.2359 -0.2359 2.6801 2.6801 2.6824 2.6824 2.6832 2.6832 2.8034 2.8034 2.9866 2.9866 3.0829 3.0829 3.0849 3.0849 3.1051 3.1051 3.8107 3.8107 3.9712 3.9712 3.9981 3.9981 4.0068 4.0068 4.4444 4.4444 4.4559 4.4559 4.4914 4.4914 4.5518 4.5518 4.8732 4.8732 4.8839 4.8839 4.8886 4.8886 4.9110 4.9110 6.1812 6.1812 6.2548 6.2548 6.2865 6.2865 6.3598 6.3598 6.9611 6.9611 6.9948 6.9948 7.0550 7.0550 7.1334 7.1334 7.9570 7.9570 8.0721 8.0721 8.1165 8.1165 8.1706 8.1706 8.7146 8.7146 8.7518 8.7518 8.8025 8.8025 8.8143 8.8143 10.8348 10.8348 10.8349 10.8349 10.8972 10.8972 10.9228 10.9228 11.4762 11.4762 11.5230 11.5230 k = 0.5000 0.5000 0.3542 ( 9196 PWs) bands (ev): -1.2433 -1.2433 -1.2320 -1.2320 -1.2317 -1.2317 -1.2313 -1.2313 -0.2930 -0.2930 -0.2887 -0.2887 -0.2862 -0.2862 -0.2783 -0.2783 2.6693 2.6693 2.6713 2.6713 2.6718 2.6718 2.8015 2.8015 2.9705 2.9705 3.0802 3.0802 3.0816 3.0816 3.0971 3.0971 3.8190 3.8190 3.9826 3.9826 4.0039 4.0039 4.0102 4.0102 4.4537 4.4537 4.4624 4.4624 4.4898 4.4898 4.5580 4.5580 4.8863 4.8863 4.8920 4.8920 4.8972 4.8972 4.9146 4.9146 6.2123 6.2123 6.3121 6.3121 6.3361 6.3361 6.3972 6.3972 7.0226 7.0226 7.0399 7.0399 7.1012 7.1012 7.1975 7.1975 7.9433 7.9433 8.0628 8.0628 8.0962 8.0962 8.1795 8.1795 8.6505 8.6505 8.6683 8.6683 8.7343 8.7343 8.7396 8.7396 10.8296 10.8296 10.8313 10.8313 10.8910 10.8910 10.9120 10.9120 11.3942 11.3942 11.4396 11.4396 k = 0.5000 0.5000 0.3750 ( 9188 PWs) bands (ev): -1.2157 -1.2157 -1.2034 -1.2034 -1.2032 -1.2032 -1.2028 -1.2028 -0.3323 -0.3323 -0.3288 -0.3288 -0.3268 -0.3268 -0.3187 -0.3187 2.6598 2.6598 2.6614 2.6614 2.6618 2.6618 2.7998 2.7998 2.9567 2.9567 3.0780 3.0780 3.0789 3.0789 3.0903 3.0903 3.8263 3.8263 3.9929 3.9929 4.0089 4.0089 4.0133 4.0133 4.4620 4.4620 4.4684 4.4684 4.4886 4.4886 4.5635 4.5635 4.8975 4.8975 4.8994 4.8994 4.9049 4.9049 4.9179 4.9179 6.2349 6.2349 6.3569 6.3569 6.3739 6.3739 6.4205 6.4205 7.0998 7.0998 7.1004 7.1004 7.1603 7.1603 7.2705 7.2705 7.9249 7.9249 8.0466 8.0466 8.0658 8.0658 8.1880 8.1880 8.5850 8.5850 8.5945 8.5945 8.6698 8.6698 8.6701 8.6701 10.8227 10.8227 10.8253 10.8253 10.8790 10.8790 10.8981 10.8981 11.3226 11.3226 11.3638 11.3638 k = 0.5000 0.5000 0.3958 ( 9192 PWs) bands (ev): -1.1895 -1.1895 -1.1762 -1.1762 -1.1760 -1.1760 -1.1757 -1.1757 -0.3688 -0.3688 -0.3660 -0.3660 -0.3646 -0.3646 -0.3564 -0.3564 2.6517 2.6517 2.6529 2.6529 2.6531 2.6531 2.7982 2.7982 2.9450 2.9450 3.0761 3.0761 3.0767 3.0767 3.0847 3.0847 3.8325 3.8325 4.0018 4.0018 4.0132 4.0132 4.0160 4.0160 4.4693 4.4693 4.4737 4.4737 4.4878 4.4878 4.5683 4.5683 4.9058 4.9058 4.9070 4.9070 4.9117 4.9117 4.9208 4.9208 6.2506 6.2506 6.3897 6.3897 6.4010 6.4010 6.4335 6.4335 7.1731 7.1731 7.1901 7.1901 7.2306 7.2306 7.3495 7.3495 7.9001 7.9001 8.0212 8.0212 8.0231 8.0231 8.1958 8.1958 8.5026 8.5026 8.5485 8.5485 8.6070 8.6070 8.6114 8.6114 10.8146 10.8146 10.8174 10.8174 10.8618 10.8618 10.8820 10.8820 11.2637 11.2637 11.2983 11.2983 k = 0.5000 0.5000 0.4167 ( 9192 PWs) bands (ev): -1.1655 -1.1655 -1.1512 -1.1512 -1.1511 -1.1511 -1.1509 -1.1509 -0.4014 -0.4014 -0.3993 -0.3993 -0.3984 -0.3984 -0.3900 -0.3900 2.6450 2.6450 2.6458 2.6458 2.6459 2.6459 2.7970 2.7970 2.9355 2.9355 3.0747 3.0747 3.0751 3.0751 3.0801 3.0801 3.8375 3.8375 4.0092 4.0092 4.0166 4.0166 4.0184 4.0184 4.4753 4.4753 4.4781 4.4781 4.4872 4.4872 4.5724 4.5724 4.9112 4.9112 4.9146 4.9146 4.9175 4.9175 4.9234 4.9234 6.2608 6.2608 6.4123 6.4123 6.4192 6.4192 6.4398 6.4398 7.2572 7.2572 7.2872 7.2872 7.3091 7.3091 7.4308 7.4308 7.8675 7.8675 7.9671 7.9671 7.9842 7.9842 8.2025 8.2025 8.4225 8.4225 8.5134 8.5134 8.5538 8.5538 8.5600 8.5600 10.8059 10.8059 10.8084 10.8084 10.8410 10.8410 10.8653 10.8653 11.2187 11.2187 11.2443 11.2443 k = 0.5000 0.5000 0.4375 ( 9176 PWs) bands (ev): -1.1449 -1.1449 -1.1297 -1.1297 -1.1296 -1.1296 -1.1295 -1.1295 -0.4288 -0.4288 -0.4275 -0.4275 -0.4270 -0.4270 -0.4184 -0.4184 2.6397 2.6397 2.6403 2.6403 2.6403 2.6403 2.7960 2.7960 2.9282 2.9282 3.0736 3.0736 3.0738 3.0738 3.0766 3.0766 3.8415 3.8415 4.0151 4.0151 4.0193 4.0193 4.0203 4.0203 4.4801 4.4801 4.4817 4.4817 4.4868 4.4868 4.5757 4.5757 4.9155 4.9155 4.9205 4.9205 4.9221 4.9221 4.9254 4.9254 6.2672 6.2672 6.4271 6.4271 6.4308 6.4308 6.4422 6.4422 7.3488 7.3488 7.3873 7.3873 7.3924 7.3924 7.5096 7.5096 7.8254 7.8254 7.8986 7.8986 7.9341 7.9341 8.2075 8.2075 8.3476 8.3476 8.4886 8.4886 8.5123 8.5123 8.5178 8.5178 10.7975 10.7975 10.7992 10.7992 10.8195 10.8195 10.8496 10.8496 11.1866 11.1866 11.2026 11.2026 k = 0.5000 0.5000 0.4583 ( 9168 PWs) bands (ev): -1.1289 -1.1289 -1.1129 -1.1129 -1.1129 -1.1129 -1.1128 -1.1128 -0.4497 -0.4497 -0.4490 -0.4490 -0.4488 -0.4488 -0.4401 -0.4401 2.6360 2.6360 2.6362 2.6362 2.6363 2.6363 2.7952 2.7952 2.9230 2.9230 3.0728 3.0728 3.0729 3.0729 3.0742 3.0742 3.8444 3.8444 4.0193 4.0193 4.0212 4.0212 4.0217 4.0217 4.4836 4.4836 4.4843 4.4843 4.4865 4.4865 4.5780 4.5780 4.9187 4.9187 4.9248 4.9248 4.9254 4.9254 4.9269 4.9269 6.2710 6.2710 6.4362 6.4362 6.4378 6.4378 6.4428 6.4428 7.4447 7.4447 7.4770 7.4770 7.4865 7.4865 7.5792 7.5792 7.7732 7.7732 7.8196 7.8196 7.8718 7.8718 8.2096 8.2096 8.2839 8.2839 8.4725 8.4725 8.4833 8.4833 8.4865 8.4865 10.7903 10.7903 10.7912 10.7912 10.8008 10.8008 10.8367 10.8367 11.1657 11.1657 11.1733 11.1733 k = 0.5000 0.5000 0.4792 ( 9148 PWs) bands (ev): -1.1187 -1.1187 -1.1022 -1.1022 -1.1022 -1.1022 -1.1022 -1.1022 -0.4628 -0.4628 -0.4627 -0.4627 -0.4626 -0.4626 -0.4538 -0.4538 2.6338 2.6338 2.6338 2.6338 2.6338 2.6338 2.7948 2.7948 2.9199 2.9199 3.0724 3.0724 3.0724 3.0724 3.0727 3.0727 3.8461 3.8461 4.0219 4.0219 4.0224 4.0224 4.0225 4.0225 4.4857 4.4857 4.4858 4.4858 4.4864 4.4864 4.5795 4.5795 4.9206 4.9206 4.9273 4.9273 4.9274 4.9274 4.9278 4.9278 6.2729 6.2729 6.4410 6.4410 6.4414 6.4414 6.4426 6.4426 7.5420 7.5420 7.5598 7.5598 7.5777 7.5777 7.6296 7.6296 7.7110 7.7110 7.7325 7.7325 7.8027 7.8027 8.2045 8.2045 8.2439 8.2439 8.4637 8.4637 8.4664 8.4664 8.4673 8.4673 10.7854 10.7854 10.7857 10.7857 10.7882 10.7882 10.8282 10.8282 11.1541 11.1541 11.1560 11.1560 k = 0.5000 0.5000 0.5000 ( 9104 PWs) bands (ev): -1.1152 -1.1152 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -1.0985 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4673 -0.4584 -0.4584 2.6330 2.6330 2.6330 2.6330 2.6330 2.6330 2.7946 2.7946 2.9189 2.9189 3.0722 3.0722 3.0722 3.0722 3.0722 3.0722 3.8467 3.8467 4.0228 4.0228 4.0228 4.0228 4.0228 4.0228 4.4864 4.4864 4.4864 4.4864 4.4864 4.4864 4.5799 4.5799 4.9212 4.9212 4.9281 4.9281 4.9281 4.9281 4.9281 4.9281 6.2735 6.2735 6.4425 6.4425 6.4425 6.4425 6.4425 6.4425 7.6293 7.6293 7.6293 7.6293 7.6293 7.6293 7.6486 7.6486 7.6486 7.6486 7.6486 7.6486 7.7586 7.7586 8.1971 8.1971 8.2343 8.2343 8.4608 8.4608 8.4608 8.4608 8.4608 8.4608 10.7837 10.7837 10.7837 10.7837 10.7837 10.7837 10.8252 10.8252 11.1503 11.1503 11.1503 11.1503 Writing output data file Sb2Au.save init_run : 1.03s CPU 1.25s WALL ( 1 calls) electrons : 479.60s CPU 483.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 479.59s CPU 483.86s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.18s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 187 calls) cegterg : 444.60s CPU 448.21s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 254.16s CPU 257.56s WALL ( 5113 calls) s_psi : 32.83s CPU 32.84s WALL ( 5113 calls) g_psi : 0.34s CPU 0.40s WALL ( 4577 calls) cdiaghg : 136.68s CPU 136.70s WALL ( 4764 calls) cegterg:over : 21.42s CPU 21.62s WALL ( 4577 calls) cegterg:upda : 13.26s CPU 13.33s WALL ( 4577 calls) cegterg:last : 8.16s CPU 8.17s WALL ( 910 calls) cdiaghg:chol : 6.42s CPU 6.29s WALL ( 4764 calls) cdiaghg:inve : 4.95s CPU 4.95s WALL ( 4764 calls) cdiaghg:para : 9.72s CPU 9.60s WALL ( 9528 calls) Called by h_psi: h_psi:vloc : 198.30s CPU 201.72s WALL ( 5113 calls) h_psi:vnl : 55.36s CPU 55.39s WALL ( 5113 calls) add_vuspsi : 29.99s CPU 29.79s WALL ( 5113 calls) General routines calbec : 25.34s CPU 25.58s WALL ( 5113 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 182.30s CPU 186.19s WALL ( 1183100 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 374 calls) Parallel routines fft_scatter : 120.21s CPU 123.95s WALL ( 1183123 calls) PWSCF : 8m39.29s CPU 8m57.74s WALL This run was terminated on: 20:46:50 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=