Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 5:28 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VGe3.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 116 34 10 5634 902 144 Max 117 35 12 5635 925 148 Sum 4189 1237 365 202837 32795 5257 bravais-lattice index = 14 lattice parameter (alat) = 9.0102 a.u. unit-cell volume = 731.4847 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.010214 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Ge 4.00 72.64000 Ge( 1.00) V 13.00 50.94150 V( 1.00) 24 Sym. Ops., with inversion, found (note: 24 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) 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 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) 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 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) 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= 257 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0038911 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0038911 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0038911 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0038911 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0038911 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0038911 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0038911 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0038911 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0038911 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0038911 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0038911 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0038911 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0038911 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0038911 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0038911 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0038911 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0038911 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0038911 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0038911 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0038911 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0038911 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0038911 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0038911 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0038911 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0038911 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0038911 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0038911 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0038911 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0038911 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0038911 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0038911 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0038911 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0038911 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0038911 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0038911 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0038911 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0038911 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0038911 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0038911 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0038911 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0038911 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0038911 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0038911 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0038911 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0038911 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0038911 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0038911 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0038911 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0038911 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0038911 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0038911 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0038911 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0038911 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038911 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0038911 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0038911 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0038911 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0038911 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0038911 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0038911 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0038911 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0038911 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0038911 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0038911 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0038911 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0038911 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0038911 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0038911 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0038911 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0038911 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0038911 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0038911 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0038911 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0038911 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0038911 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0038911 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0038911 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0038911 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0038911 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0038911 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0038911 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0038911 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0038911 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0038911 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0038911 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0038911 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0038911 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0038911 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0038911 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0038911 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0038911 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0038911 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0038911 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0038911 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0038911 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0038911 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0038911 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0038911 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0038911 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0038911 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0038911 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0038911 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0038911 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0038911 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0038911 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0038911 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0038911 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0038911 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0038911 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0038911 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 118) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038911 k( 119) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038911 k( 120) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038911 k( 121) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038911 k( 122) = ( 0.0431035 0.0431034 0.0431034), wk = 0.0038911 k( 123) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038911 k( 124) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038911 k( 125) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038911 k( 126) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038911 k( 127) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038911 k( 128) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038911 k( 129) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038911 k( 130) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038911 k( 131) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038911 k( 132) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038911 k( 133) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038911 k( 134) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038911 k( 135) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038911 k( 136) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038911 k( 137) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038911 k( 138) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038911 k( 139) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038911 k( 140) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038911 k( 141) = ( 0.2068966 0.2068965 0.2068965), wk = 0.0038911 k( 142) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038911 k( 143) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038911 k( 144) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038911 k( 145) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038911 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 147) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038911 k( 148) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038911 k( 149) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038911 k( 150) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038911 k( 151) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038911 k( 152) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038911 k( 153) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038911 k( 154) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038911 k( 155) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038911 k( 156) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038911 k( 157) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038911 k( 158) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038911 k( 159) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038911 k( 160) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038911 k( 161) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038911 k( 162) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038911 k( 163) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038911 k( 164) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038911 k( 165) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038911 k( 166) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038911 k( 167) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038911 k( 168) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038911 k( 169) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038911 k( 170) = ( 0.4568966 0.4568965 0.4568965), wk = 0.0038911 k( 171) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038911 k( 172) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038911 k( 173) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038911 k( 174) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038911 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 177) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038911 k( 178) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038911 k( 179) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038911 k( 180) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038911 k( 181) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038911 k( 182) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038911 k( 183) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038911 k( 184) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038911 k( 185) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038911 k( 186) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038911 k( 187) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038911 k( 188) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038911 k( 189) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038911 k( 190) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038911 k( 191) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038911 k( 192) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038911 k( 193) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038911 k( 194) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038911 k( 195) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038911 k( 196) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038911 k( 197) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038911 k( 198) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038911 k( 199) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038911 k( 200) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0038911 k( 201) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038911 k( 202) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038911 k( 203) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038911 k( 204) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038911 k( 205) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038911 k( 206) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038911 k( 207) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038911 k( 208) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038911 k( 209) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038911 k( 210) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038911 k( 211) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038911 k( 212) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038911 k( 213) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038911 k( 214) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038911 k( 215) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038911 k( 216) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038911 k( 217) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038911 k( 218) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038911 k( 219) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038911 k( 220) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038911 k( 221) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038911 k( 222) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038911 k( 223) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038911 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038911 k( 225) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0038911 k( 226) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0038911 k( 227) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0038911 k( 228) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0038911 k( 229) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0038911 k( 230) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0038911 k( 231) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0038911 k( 232) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0038911 k( 233) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0038911 k( 234) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0038911 k( 235) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0038911 k( 236) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0038911 k( 237) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0038911 k( 238) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0038911 k( 239) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0038911 k( 240) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0038911 k( 241) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0038911 k( 242) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0038911 k( 243) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0038911 k( 244) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0038911 k( 245) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0038911 k( 246) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0038911 k( 247) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0038911 k( 248) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0038911 k( 249) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0038911 k( 250) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0038911 k( 251) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0038911 k( 252) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0038911 k( 253) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0038911 k( 254) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0038911 k( 255) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0038911 k( 256) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0038911 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0038911 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0038911 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0038911 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0038911 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0038911 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0038911 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0038911 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0038911 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0038911 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0038911 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0038911 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0038911 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0038911 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0038911 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0038911 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0038911 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0038911 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0038911 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0038911 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0038911 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0038911 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0038911 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0038911 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0038911 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0038911 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0038911 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0038911 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0038911 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0038911 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0038911 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0038911 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0038911 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0038911 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0038911 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0038911 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0038911 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0038911 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0038911 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0038911 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0038911 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0038911 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0038911 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0038911 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0038911 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0038911 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0038911 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0038911 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0038911 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0038911 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0038911 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0038911 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0038911 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0038911 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038911 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0038911 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0038911 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0038911 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0038911 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0038911 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0038911 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0038911 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0038911 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0038911 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0038911 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0038911 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0038911 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0038911 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0038911 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0038911 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0038911 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0038911 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0038911 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0038911 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0038911 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0038911 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0038911 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0038911 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0038911 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0038911 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0038911 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0038911 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0038911 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0038911 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0038911 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0038911 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0038911 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0038911 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0038911 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0038911 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0038911 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0038911 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0038911 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0038911 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0038911 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0038911 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0038911 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0038911 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0038911 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0038911 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0038911 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0038911 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0038911 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0038911 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0038911 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0038911 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0038911 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0038911 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0038911 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0038911 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0038911 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 118) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038911 k( 119) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038911 k( 120) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038911 k( 121) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038911 k( 122) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0038911 k( 123) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038911 k( 124) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038911 k( 125) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038911 k( 126) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038911 k( 127) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038911 k( 128) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038911 k( 129) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038911 k( 130) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038911 k( 131) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038911 k( 132) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038911 k( 133) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038911 k( 134) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038911 k( 135) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038911 k( 136) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038911 k( 137) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038911 k( 138) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038911 k( 139) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038911 k( 140) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038911 k( 141) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0038911 k( 142) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038911 k( 143) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038911 k( 144) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038911 k( 145) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038911 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 147) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038911 k( 148) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038911 k( 149) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038911 k( 150) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038911 k( 151) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038911 k( 152) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038911 k( 153) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038911 k( 154) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038911 k( 155) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038911 k( 156) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038911 k( 157) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038911 k( 158) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038911 k( 159) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038911 k( 160) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038911 k( 161) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038911 k( 162) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038911 k( 163) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038911 k( 164) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038911 k( 165) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038911 k( 166) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038911 k( 167) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038911 k( 168) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038911 k( 169) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038911 k( 170) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0038911 k( 171) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038911 k( 172) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038911 k( 173) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038911 k( 174) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038911 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 k( 177) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038911 k( 178) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038911 k( 179) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038911 k( 180) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038911 k( 181) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038911 k( 182) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038911 k( 183) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038911 k( 184) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038911 k( 185) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038911 k( 186) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038911 k( 187) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038911 k( 188) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038911 k( 189) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038911 k( 190) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038911 k( 191) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038911 k( 192) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038911 k( 193) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038911 k( 194) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038911 k( 195) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038911 k( 196) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038911 k( 197) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038911 k( 198) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038911 k( 199) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038911 k( 200) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0038911 k( 201) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038911 k( 202) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038911 k( 203) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038911 k( 204) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038911 k( 205) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038911 k( 206) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038911 k( 207) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038911 k( 208) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038911 k( 209) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038911 k( 210) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038911 k( 211) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038911 k( 212) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038911 k( 213) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038911 k( 214) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038911 k( 215) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038911 k( 216) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038911 k( 217) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038911 k( 218) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038911 k( 219) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038911 k( 220) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038911 k( 221) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038911 k( 222) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038911 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038911 k( 225) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0038911 k( 226) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0038911 k( 227) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0038911 k( 228) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0038911 k( 229) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0038911 k( 230) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0038911 k( 231) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0038911 k( 232) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0038911 k( 233) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0038911 k( 234) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0038911 k( 235) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0038911 k( 236) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0038911 k( 237) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0038911 k( 238) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0038911 k( 239) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0038911 k( 240) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0038911 k( 241) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0038911 k( 242) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0038911 k( 243) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0038911 k( 244) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0038911 k( 245) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0038911 k( 246) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0038911 k( 247) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0038911 k( 248) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0038911 k( 249) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0038911 k( 250) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0038911 k( 251) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0038911 k( 252) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0038911 k( 253) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0038911 k( 254) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0038911 k( 255) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0038911 k( 256) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0038911 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038911 Dense grid: 202837 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 32795 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 242, 60) NL pseudopotentials 0.28 Mb ( 121, 152) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.04 Mb ( 5634) G-vector shells 0.01 Mb ( 911) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.89 Mb ( 242, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.28 Mb ( 152, 2, 60) The potential is recalculated from file : ./VGe3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.7 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 15.4 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.7 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 20.2 secs Computing kpt #: 20 total cpu time spent up to now is 20.7 secs Computing kpt #: 21 total cpu time spent up to now is 21.2 secs Computing kpt #: 22 total cpu time spent up to now is 21.8 secs Computing kpt #: 23 total cpu time spent up to now is 22.3 secs Computing kpt #: 24 total cpu time spent up to now is 22.9 secs Computing kpt #: 25 total cpu time spent up to now is 23.4 secs Computing kpt #: 26 total cpu time spent up to now is 23.9 secs Computing kpt #: 27 total cpu time spent up to now is 24.5 secs Computing kpt #: 28 total cpu time spent up to now is 25.0 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.0 secs Computing kpt #: 31 total cpu time spent up to now is 26.6 secs Computing kpt #: 32 total cpu time spent up to now is 27.1 secs Computing kpt #: 33 total cpu time spent up to now is 27.6 secs Computing kpt #: 34 total cpu time spent up to now is 28.2 secs Computing kpt #: 35 total cpu time spent up to now is 28.7 secs Computing kpt #: 36 total cpu time spent up to now is 29.2 secs Computing kpt #: 37 total cpu time spent up to now is 29.8 secs Computing kpt #: 38 total cpu time spent up to now is 30.3 secs Computing kpt #: 39 total cpu time spent up to now is 30.9 secs Computing kpt #: 40 total cpu time spent up to now is 31.5 secs Computing kpt #: 41 total cpu time spent up to now is 32.1 secs Computing kpt #: 42 total cpu time spent up to now is 32.7 secs Computing kpt #: 43 total cpu time spent up to now is 33.4 secs Computing kpt #: 44 total cpu time spent up to now is 34.1 secs Computing kpt #: 45 total cpu time spent up to now is 34.7 secs Computing kpt #: 46 total cpu time spent up to now is 35.4 secs Computing kpt #: 47 total cpu time spent up to now is 36.1 secs Computing kpt #: 48 total cpu time spent up to now is 36.8 secs Computing kpt #: 49 total cpu time spent up to now is 37.4 secs Computing kpt #: 50 total cpu time spent up to now is 38.0 secs Computing kpt #: 51 total cpu time spent up to now is 38.7 secs Computing kpt #: 52 total cpu time spent up to now is 39.4 secs Computing kpt #: 53 total cpu time spent up to now is 40.1 secs Computing kpt #: 54 total cpu time spent up to now is 40.8 secs Computing kpt #: 55 total cpu time spent up to now is 41.5 secs Computing kpt #: 56 total cpu time spent up to now is 42.2 secs Computing kpt #: 57 total cpu time spent up to now is 43.1 secs Computing kpt #: 58 total cpu time spent up to now is 44.1 secs Computing kpt #: 59 total cpu time spent up to now is 45.2 secs Computing kpt #: 60 total cpu time spent up to now is 46.2 secs Computing kpt #: 61 total cpu time spent up to now is 47.3 secs Computing kpt #: 62 total cpu time spent up to now is 48.3 secs Computing kpt #: 63 total cpu time spent up to now is 49.3 secs Computing kpt #: 64 total cpu time spent up to now is 50.5 secs Computing kpt #: 65 total cpu time spent up to now is 51.4 secs Computing kpt #: 66 total cpu time spent up to now is 52.2 secs Computing kpt #: 67 total cpu time spent up to now is 53.0 secs Computing kpt #: 68 total cpu time spent up to now is 53.7 secs Computing kpt #: 69 total cpu time spent up to now is 54.5 secs Computing kpt #: 70 total cpu time spent up to now is 55.2 secs Computing kpt #: 71 total cpu time spent up to now is 55.9 secs Computing kpt #: 72 total cpu time spent up to now is 56.7 secs Computing kpt #: 73 total cpu time spent up to now is 57.6 secs Computing kpt #: 74 total cpu time spent up to now is 58.4 secs Computing kpt #: 75 total cpu time spent up to now is 59.4 secs Computing kpt #: 76 total cpu time spent up to now is 60.3 secs Computing kpt #: 77 total cpu time spent up to now is 61.2 secs Computing kpt #: 78 total cpu time spent up to now is 62.2 secs Computing kpt #: 79 total cpu time spent up to now is 63.0 secs Computing kpt #: 80 total cpu time spent up to now is 63.9 secs Computing kpt #: 81 total cpu time spent up to now is 64.8 secs Computing kpt #: 82 total cpu time spent up to now is 65.7 secs Computing kpt #: 83 total cpu time spent up to now is 66.6 secs Computing kpt #: 84 total cpu time spent up to now is 67.5 secs Computing kpt #: 85 total cpu time spent up to now is 68.6 secs Computing kpt #: 86 total cpu time spent up to now is 69.9 secs Computing kpt #: 87 total cpu time spent up to now is 70.9 secs Computing kpt #: 88 total cpu time spent up to now is 71.6 secs Computing kpt #: 89 total cpu time spent up to now is 72.3 secs Computing kpt #: 90 total cpu time spent up to now is 73.7 secs Computing kpt #: 91 total cpu time spent up to now is 74.5 secs Computing kpt #: 92 total cpu time spent up to now is 75.3 secs Computing kpt #: 93 total cpu time spent up to now is 76.1 secs Computing kpt #: 94 total cpu time spent up to now is 76.9 secs Computing kpt #: 95 total cpu time spent up to now is 77.8 secs Computing kpt #: 96 total cpu time spent up to now is 79.2 secs Computing kpt #: 97 total cpu time spent up to now is 80.6 secs Computing kpt #: 98 total cpu time spent up to now is 82.3 secs Computing kpt #: 99 total cpu time spent up to now is 83.7 secs Computing kpt #: 100 total cpu time spent up to now is 85.1 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.9 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.4 secs Computing kpt #: 104 total cpu time spent up to now is 91.9 secs Computing kpt #: 105 total cpu time spent up to now is 92.9 secs Computing kpt #: 106 total cpu time spent up to now is 93.9 secs Computing kpt #: 107 total cpu time spent up to now is 94.6 secs Computing kpt #: 108 total cpu time spent up to now is 95.5 secs Computing kpt #: 109 total cpu time spent up to now is 96.2 secs Computing kpt #: 110 total cpu time spent up to now is 96.9 secs Computing kpt #: 111 total cpu time spent up to now is 97.5 secs Computing kpt #: 112 total cpu time spent up to now is 98.2 secs Computing kpt #: 113 total cpu time spent up to now is 98.8 secs Computing kpt #: 114 total cpu time spent up to now is 99.5 secs Computing kpt #: 115 total cpu time spent up to now is 100.4 secs Computing kpt #: 116 total cpu time spent up to now is 101.1 secs Computing kpt #: 117 total cpu time spent up to now is 101.7 secs Computing kpt #: 118 total cpu time spent up to now is 102.4 secs Computing kpt #: 119 total cpu time spent up to now is 103.0 secs Computing kpt #: 120 total cpu time spent up to now is 103.7 secs Computing kpt #: 121 total cpu time spent up to now is 104.4 secs Computing kpt #: 122 total cpu time spent up to now is 105.1 secs Computing kpt #: 123 total cpu time spent up to now is 105.8 secs Computing kpt #: 124 total cpu time spent up to now is 106.4 secs Computing kpt #: 125 total cpu time spent up to now is 107.0 secs Computing kpt #: 126 total cpu time spent up to now is 107.6 secs Computing kpt #: 127 total cpu time spent up to now is 108.3 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.0 secs Computing kpt #: 129 total cpu time spent up to now is 111.4 secs Computing kpt #: 130 total cpu time spent up to now is 112.8 secs Computing kpt #: 131 total cpu time spent up to now is 114.2 secs Computing kpt #: 132 total cpu time spent up to now is 115.4 secs Computing kpt #: 133 total cpu time spent up to now is 116.8 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.6 secs Computing kpt #: 135 total cpu time spent up to now is 120.0 secs Computing kpt #: 136 total cpu time spent up to now is 121.4 secs Computing kpt #: 137 total cpu time spent up to now is 122.8 secs Computing kpt #: 138 total cpu time spent up to now is 124.2 secs Computing kpt #: 139 total cpu time spent up to now is 125.2 secs Computing kpt #: 140 total cpu time spent up to now is 125.9 secs Computing kpt #: 141 total cpu time spent up to now is 126.9 secs Computing kpt #: 142 total cpu time spent up to now is 128.3 secs Computing kpt #: 143 total cpu time spent up to now is 129.7 secs Computing kpt #: 144 total cpu time spent up to now is 130.6 secs Computing kpt #: 145 total cpu time spent up to now is 131.6 secs Computing kpt #: 146 total cpu time spent up to now is 132.5 secs Computing kpt #: 147 total cpu time spent up to now is 133.9 secs Computing kpt #: 148 total cpu time spent up to now is 135.2 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.6 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.2 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 154 total cpu time spent up to now is 144.8 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.4 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.2 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.7 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.4 secs Computing kpt #: 161 total cpu time spent up to now is 156.5 secs Computing kpt #: 162 total cpu time spent up to now is 157.8 secs Computing kpt #: 163 total cpu time spent up to now is 159.5 secs Computing kpt #: 164 total cpu time spent up to now is 161.2 secs Computing kpt #: 165 total cpu time spent up to now is 162.4 secs Computing kpt #: 166 total cpu time spent up to now is 163.8 secs Computing kpt #: 167 total cpu time spent up to now is 165.1 secs Computing kpt #: 168 total cpu time spent up to now is 166.4 secs Computing kpt #: 169 total cpu time spent up to now is 168.1 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 171 total cpu time spent up to now is 171.5 secs Computing kpt #: 172 total cpu time spent up to now is 172.5 secs Computing kpt #: 173 total cpu time spent up to now is 173.2 secs Computing kpt #: 174 total cpu time spent up to now is 174.1 secs Computing kpt #: 175 total cpu time spent up to now is 174.7 secs Computing kpt #: 176 total cpu time spent up to now is 175.3 secs Computing kpt #: 177 total cpu time spent up to now is 175.9 secs Computing kpt #: 178 total cpu time spent up to now is 176.5 secs Computing kpt #: 179 total cpu time spent up to now is 177.0 secs Computing kpt #: 180 total cpu time spent up to now is 177.7 secs Computing kpt #: 181 total cpu time spent up to now is 178.3 secs Computing kpt #: 182 total cpu time spent up to now is 178.9 secs Computing kpt #: 183 total cpu time spent up to now is 179.4 secs Computing kpt #: 184 total cpu time spent up to now is 180.0 secs Computing kpt #: 185 total cpu time spent up to now is 180.6 secs Computing kpt #: 186 total cpu time spent up to now is 181.1 secs Computing kpt #: 187 total cpu time spent up to now is 181.7 secs Computing kpt #: 188 total cpu time spent up to now is 182.3 secs Computing kpt #: 189 total cpu time spent up to now is 182.8 secs Computing kpt #: 190 total cpu time spent up to now is 183.4 secs Computing kpt #: 191 total cpu time spent up to now is 184.0 secs Computing kpt #: 192 total cpu time spent up to now is 184.5 secs Computing kpt #: 193 total cpu time spent up to now is 185.1 secs Computing kpt #: 194 total cpu time spent up to now is 185.7 secs Computing kpt #: 195 total cpu time spent up to now is 186.3 secs Computing kpt #: 196 total cpu time spent up to now is 186.8 secs Computing kpt #: 197 total cpu time spent up to now is 187.4 secs Computing kpt #: 198 total cpu time spent up to now is 188.0 secs Computing kpt #: 199 total cpu time spent up to now is 188.6 secs Computing kpt #: 200 total cpu time spent up to now is 189.3 secs Computing kpt #: 201 total cpu time spent up to now is 189.9 secs Computing kpt #: 202 total cpu time spent up to now is 190.5 secs Computing kpt #: 203 total cpu time spent up to now is 191.2 secs Computing kpt #: 204 total cpu time spent up to now is 191.8 secs Computing kpt #: 205 total cpu time spent up to now is 192.5 secs Computing kpt #: 206 total cpu time spent up to now is 193.2 secs Computing kpt #: 207 total cpu time spent up to now is 193.8 secs Computing kpt #: 208 total cpu time spent up to now is 194.5 secs Computing kpt #: 209 total cpu time spent up to now is 195.2 secs Computing kpt #: 210 total cpu time spent up to now is 195.9 secs Computing kpt #: 211 total cpu time spent up to now is 196.5 secs Computing kpt #: 212 total cpu time spent up to now is 197.2 secs Computing kpt #: 213 total cpu time spent up to now is 197.9 secs Computing kpt #: 214 total cpu time spent up to now is 198.6 secs Computing kpt #: 215 total cpu time spent up to now is 199.3 secs Computing kpt #: 216 total cpu time spent up to now is 200.0 secs Computing kpt #: 217 total cpu time spent up to now is 200.6 secs Computing kpt #: 218 total cpu time spent up to now is 201.2 secs Computing kpt #: 219 total cpu time spent up to now is 201.8 secs Computing kpt #: 220 total cpu time spent up to now is 202.4 secs Computing kpt #: 221 total cpu time spent up to now is 202.9 secs Computing kpt #: 222 total cpu time spent up to now is 203.5 secs Computing kpt #: 223 total cpu time spent up to now is 204.0 secs Computing kpt #: 224 total cpu time spent up to now is 204.7 secs Computing kpt #: 225 total cpu time spent up to now is 205.5 secs Computing kpt #: 226 total cpu time spent up to now is 206.1 secs Computing kpt #: 227 total cpu time spent up to now is 206.9 secs Computing kpt #: 228 total cpu time spent up to now is 207.6 secs Computing kpt #: 229 total cpu time spent up to now is 208.4 secs Computing kpt #: 230 total cpu time spent up to now is 209.4 secs Computing kpt #: 231 total cpu time spent up to now is 210.3 secs Computing kpt #: 232 total cpu time spent up to now is 211.2 secs Computing kpt #: 233 total cpu time spent up to now is 212.1 secs Computing kpt #: 234 total cpu time spent up to now is 212.9 secs Computing kpt #: 235 total cpu time spent up to now is 214.0 secs Computing kpt #: 236 total cpu time spent up to now is 214.9 secs Computing kpt #: 237 total cpu time spent up to now is 215.8 secs Computing kpt #: 238 total cpu time spent up to now is 216.8 secs Computing kpt #: 239 total cpu time spent up to now is 217.9 secs Computing kpt #: 240 total cpu time spent up to now is 219.0 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.7 secs Computing kpt #: 242 total cpu time spent up to now is 221.7 secs Computing kpt #: 243 total cpu time spent up to now is 223.1 secs Computing kpt #: 244 total cpu time spent up to now is 224.0 secs Computing kpt #: 245 total cpu time spent up to now is 225.0 secs Computing kpt #: 246 total cpu time spent up to now is 225.8 secs Computing kpt #: 247 total cpu time spent up to now is 226.8 secs Computing kpt #: 248 total cpu time spent up to now is 227.7 secs Computing kpt #: 249 total cpu time spent up to now is 228.6 secs Computing kpt #: 250 total cpu time spent up to now is 229.4 secs Computing kpt #: 251 total cpu time spent up to now is 230.3 secs Computing kpt #: 252 total cpu time spent up to now is 231.2 secs Computing kpt #: 253 total cpu time spent up to now is 232.2 secs Computing kpt #: 254 total cpu time spent up to now is 232.9 secs Computing kpt #: 255 total cpu time spent up to now is 233.7 secs Computing kpt #: 256 total cpu time spent up to now is 234.5 secs Computing kpt #: 257 total cpu time spent up to now is 235.1 secs ethr = 2.00E-08, avg # of iterations = 44.9 total cpu time spent up to now is 235.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5393 -1.5393 3.0537 3.0537 3.0537 3.0537 5.9365 5.9365 5.9365 5.9365 5.9561 5.9561 8.5817 8.5817 8.5817 8.5817 8.6574 8.6574 10.3564 10.3564 10.3982 10.3982 10.3982 10.3982 10.9558 10.9558 10.9558 10.9558 11.0088 11.0088 12.9776 12.9776 12.9776 12.9776 13.0329 13.0329 14.2329 14.2329 14.3669 14.3669 14.3669 14.3669 15.2427 15.2427 k = 0.0000 0.0152-0.0000 ( 4067 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5378 -1.5378 3.0473 3.0473 3.0552 3.0552 5.9376 5.9376 5.9388 5.9388 5.9579 5.9579 8.5677 8.5677 8.5823 8.5823 8.6637 8.6637 10.3373 10.3373 10.3708 10.3708 10.3932 10.3932 10.9756 10.9756 10.9839 10.9839 11.0317 11.0317 12.9765 12.9765 12.9782 12.9782 13.0327 13.0327 14.2237 14.2237 14.3504 14.3504 14.3660 14.3660 15.2417 15.2417 k = 0.0000 0.0303-0.0000 ( 4091 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1388 -24.1388 -24.1296 -24.1296 -24.1295 -24.1295 -1.5332 -1.5332 3.0282 3.0282 3.0596 3.0596 5.9409 5.9409 5.9453 5.9453 5.9638 5.9638 8.5267 8.5267 8.5841 8.5841 8.6828 8.6828 10.2759 10.2759 10.3005 10.3005 10.3918 10.3918 11.0288 11.0288 11.0561 11.0561 11.0955 11.0955 12.9730 12.9730 12.9797 12.9797 13.0322 13.0322 14.1867 14.1867 14.3163 14.3163 14.3632 14.3632 15.2387 15.2387 k = 0.0000 0.0455-0.0000 ( 4075 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1296 -24.1296 -24.1296 -24.1296 -1.5256 -1.5256 2.9969 2.9969 3.0671 3.0671 5.9463 5.9463 5.9541 5.9541 5.9751 5.9751 8.4617 8.4617 8.5870 8.5870 8.7146 8.7146 10.1872 10.1872 10.2069 10.2069 10.3961 10.3961 11.1088 11.1088 11.1530 11.1530 11.1869 11.1869 12.9664 12.9664 12.9824 12.9824 13.0323 13.0323 14.1080 14.1080 14.2913 14.2913 14.3586 14.3586 15.2336 15.2336 k = 0.0000 0.0606-0.0000 ( 4079 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1297 -24.1297 -24.1296 -24.1296 -1.5148 -1.5148 2.9540 2.9540 3.0774 3.0774 5.9540 5.9540 5.9639 5.9639 5.9929 5.9929 8.3770 8.3770 8.5910 8.5910 8.7585 8.7585 10.0852 10.0852 10.1018 10.1018 10.4036 10.4036 11.2118 11.2118 11.2626 11.2626 11.2939 11.2939 12.9561 12.9561 12.9863 12.9863 13.0335 13.0335 13.9978 13.9978 14.2764 14.2764 14.3523 14.3523 15.2267 15.2267 k = 0.0000 0.0758-0.0000 ( 4072 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9595 -24.9595 -24.9516 -24.9516 -24.1387 -24.1387 -24.1387 -24.1387 -24.1297 -24.1297 -24.1296 -24.1296 -1.5011 -1.5011 2.9004 2.9004 3.0908 3.0908 5.9638 5.9638 5.9749 5.9749 6.0165 6.0165 8.2768 8.2768 8.5960 8.5960 8.8140 8.8140 9.9765 9.9765 9.9911 9.9911 10.4137 10.4137 11.3340 11.3340 11.3790 11.3790 11.4097 11.4097 12.9417 12.9417 12.9912 12.9912 13.0362 13.0362 13.8702 13.8702 14.2651 14.2651 14.3442 14.3442 15.2181 15.2181 k = 0.0000 0.0909-0.0000 ( 4068 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9516 -24.9516 -24.1387 -24.1387 -24.1386 -24.1386 -24.1298 -24.1298 -24.1297 -24.1297 -1.4843 -1.4843 2.8370 2.8370 3.1071 3.1071 5.9758 5.9758 5.9876 5.9876 6.0447 6.0447 8.1652 8.1652 8.6019 8.6019 8.8804 8.8804 9.8645 9.8645 9.8777 9.8777 10.4263 10.4263 11.4709 11.4709 11.4992 11.4992 11.5315 11.5315 12.9233 12.9233 12.9973 12.9973 13.0407 13.0407 13.7330 13.7330 14.2543 14.2543 14.3346 14.3346 15.2080 15.2080 k = 0.0000 0.1061-0.0000 ( 4064 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9517 -24.9517 -24.1387 -24.1387 -24.1385 -24.1385 -24.1299 -24.1299 -24.1298 -24.1298 -1.4644 -1.4644 2.7649 2.7649 3.1263 3.1263 5.9900 5.9900 6.0022 6.0022 6.0766 6.0766 8.0456 8.0456 8.6085 8.6085 8.9568 8.9568 9.7512 9.7512 9.7631 9.7631 10.4413 10.4413 11.6169 11.6169 11.6216 11.6216 11.6598 11.6598 12.9009 12.9009 13.0046 13.0046 13.0467 13.0467 13.5903 13.5903 14.2432 14.2432 14.3235 14.3235 15.1966 15.1966 k = 0.0000 0.1212-0.0000 ( 4064 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9593 -24.9593 -24.9518 -24.9518 -24.1386 -24.1386 -24.1385 -24.1385 -24.1300 -24.1300 -24.1298 -24.1298 -1.4415 -1.4415 2.6850 2.6850 3.1486 3.1486 6.0063 6.0063 6.0188 6.0188 6.1114 6.1114 7.9208 7.9208 8.6157 8.6157 9.0420 9.0420 9.6378 9.6378 9.6482 9.6482 10.4586 10.4586 11.7451 11.7451 11.7594 11.7594 11.8030 11.8030 12.8748 12.8748 13.0132 13.0132 13.0543 13.0543 13.4446 13.4446 14.2315 14.2315 14.3110 14.3110 15.1842 15.1842 k = 0.0000 0.1364-0.0000 ( 4072 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9593 -24.9593 -24.9519 -24.9519 -24.1386 -24.1386 -24.1384 -24.1384 -24.1302 -24.1302 -24.1299 -24.1299 -1.4156 -1.4156 2.5985 2.5985 3.1738 3.1738 6.0248 6.0248 6.0375 6.0375 6.1482 6.1482 7.7931 7.7931 8.6233 8.6233 9.1343 9.1343 9.5259 9.5259 9.5337 9.5337 10.4781 10.4781 11.8691 11.8691 11.8911 11.8911 11.9654 11.9654 12.8451 12.8451 13.0230 13.0230 13.0634 13.0634 13.2976 13.2976 14.2191 14.2191 14.2974 14.2974 15.1713 15.1713 k = 0.0000 0.1515-0.0000 ( 4072 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9592 -24.9592 -24.9520 -24.9520 -24.1386 -24.1386 -24.1383 -24.1383 -24.1303 -24.1303 -24.1300 -24.1300 -1.3867 -1.3867 2.5063 2.5063 3.2019 3.2019 6.0455 6.0455 6.0584 6.0584 6.1862 6.1862 7.6647 7.6647 8.6310 8.6310 9.2281 9.2281 9.4199 9.4199 9.4204 9.4204 10.5000 10.5000 11.9929 11.9929 12.0187 12.0187 12.1378 12.1378 12.8122 12.8122 13.0343 13.0343 13.0740 13.0740 13.1506 13.1506 14.2061 14.2061 14.2828 14.2828 15.1584 15.1584 k = 0.0000 0.1667-0.0000 ( 4088 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9591 -24.9591 -24.9521 -24.9521 -24.1385 -24.1385 -24.1382 -24.1382 -24.1305 -24.1305 -24.1301 -24.1301 -1.3548 -1.3548 2.4092 2.4092 3.2330 3.2330 6.0683 6.0683 6.0813 6.0813 6.2240 6.2240 7.5377 7.5377 8.6385 8.6385 9.2618 9.2618 9.3070 9.3070 9.3821 9.3821 10.5241 10.5241 12.1159 12.1159 12.1444 12.1444 12.3153 12.3153 12.7759 12.7759 13.0047 13.0047 13.0473 13.0473 13.0861 13.0861 14.1927 14.1927 14.2674 14.2674 15.1459 15.1459 k = 0.0000 0.1818-0.0000 ( 4080 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9591 -24.9591 -24.9522 -24.9522 -24.1384 -24.1384 -24.1380 -24.1380 -24.1307 -24.1307 -24.1302 -24.1302 -1.3198 -1.3198 2.3082 2.3082 3.2670 3.2670 6.0932 6.0932 6.1064 6.1064 6.2601 6.2601 7.4144 7.4144 8.6455 8.6455 9.1709 9.1709 9.1953 9.1953 9.4747 9.4747 10.5503 10.5503 12.2376 12.2376 12.2684 12.2684 12.4958 12.4958 12.7368 12.7368 12.8608 12.8608 13.0622 13.0622 13.0999 13.0999 14.1792 14.1792 14.2516 14.2516 15.1345 15.1345 k = 0.0000 0.1970-0.0000 ( 4096 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9590 -24.9590 -24.9524 -24.9524 -24.1384 -24.1384 -24.1379 -24.1379 -24.1308 -24.1308 -24.1304 -24.1304 -1.2819 -1.2819 2.2038 2.2038 3.3040 3.3040 6.1203 6.1203 6.1336 6.1336 6.2921 6.2921 7.2978 7.2978 8.6517 8.6517 9.0644 9.0644 9.0849 9.0849 9.5881 9.5881 10.5788 10.5788 12.3571 12.3571 12.3902 12.3902 12.6771 12.6771 12.6947 12.6947 12.7199 12.7199 13.0795 13.0795 13.1155 13.1155 14.1659 14.1659 14.2357 14.2357 15.1249 15.1249 k = 0.0000 0.2121-0.0000 ( 4092 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9589 -24.9589 -24.9525 -24.9525 -24.1383 -24.1383 -24.1378 -24.1378 -24.1310 -24.1310 -24.1305 -24.1305 -1.2411 -1.2411 2.0968 2.0968 3.3440 3.3440 6.1495 6.1495 6.1629 6.1629 6.3161 6.3161 7.1921 7.1921 8.6566 8.6566 8.9569 8.9569 8.9761 8.9761 9.7067 9.7067 10.6095 10.6095 12.4717 12.4717 12.5087 12.5087 12.5842 12.5842 12.6504 12.6504 12.8573 12.8573 13.1005 13.1005 13.1332 13.1332 14.1532 14.1532 14.2200 14.2200 15.1177 15.1177 k = 0.0000 0.2273-0.0000 ( 4092 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9588 -24.9588 -24.9527 -24.9527 -24.1382 -24.1382 -24.1376 -24.1376 -24.1312 -24.1312 -24.1306 -24.1306 -1.1973 -1.1973 1.9877 1.9877 3.3869 3.3869 6.1808 6.1808 6.1943 6.1943 6.3266 6.3266 7.1032 7.1032 8.6597 8.6597 8.8503 8.8503 8.8691 8.8691 9.8275 9.8275 10.6423 10.6423 12.4445 12.4445 12.5856 12.5856 12.6087 12.6087 12.6226 12.6226 13.0308 13.0308 13.1300 13.1300 13.1535 13.1535 14.1418 14.1418 14.2052 14.2052 15.1138 15.1138 k = 0.0000 0.2424-0.0000 ( 4100 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9587 -24.9587 -24.9528 -24.9528 -24.1382 -24.1382 -24.1375 -24.1375 -24.1315 -24.1315 -24.1308 -24.1308 -1.1505 -1.1505 1.8772 1.8772 3.4327 3.4327 6.2141 6.2141 6.2277 6.2277 6.3167 6.3167 7.0383 7.0383 8.6601 8.6601 8.7450 8.7450 8.7643 8.7643 9.9488 9.9488 10.6771 10.6771 12.3171 12.3171 12.5521 12.5521 12.6992 12.6992 12.7295 12.7295 13.1367 13.1367 13.1770 13.1770 13.2290 13.2290 14.1323 14.1323 14.1920 14.1920 15.1140 15.1140 k = 0.0000 0.2576-0.0000 ( 4100 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9586 -24.9586 -24.9530 -24.9530 -24.1381 -24.1381 -24.1373 -24.1373 -24.1317 -24.1317 -24.1309 -24.1309 -1.1009 -1.1009 1.7655 1.7655 3.4815 3.4815 6.2495 6.2495 6.2629 6.2629 6.2810 6.2810 7.0031 7.0031 8.6413 8.6413 8.6454 8.6454 8.6738 8.6738 10.0692 10.0692 10.7141 10.7141 12.1939 12.1939 12.5007 12.5007 12.7994 12.7994 12.8265 12.8265 13.1793 13.1793 13.2047 13.2047 13.3937 13.3937 14.1257 14.1257 14.1812 14.1812 15.1189 15.1189 k = 0.0000 0.2727-0.0000 ( 4096 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9585 -24.9585 -24.9532 -24.9532 -24.1380 -24.1380 -24.1371 -24.1371 -24.1319 -24.1319 -24.1311 -24.1311 -1.0483 -1.0483 1.6532 1.6532 3.5332 3.5332 6.2187 6.2187 6.2869 6.2869 6.3008 6.3008 6.9978 6.9978 8.5395 8.5395 8.5545 8.5545 8.6583 8.6583 10.1873 10.1873 10.7531 10.7531 12.0767 12.0767 12.4472 12.4472 12.8904 12.8904 12.9098 12.9098 13.2261 13.2261 13.2378 13.2378 13.5574 13.5574 14.1235 14.1235 14.1741 14.1741 15.1293 15.1602 k = 0.0000 0.2879-0.0000 ( 4096 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9583 -24.9583 -24.9533 -24.9533 -24.1379 -24.1379 -24.1370 -24.1370 -24.1321 -24.1321 -24.1312 -24.1312 -0.9929 -0.9929 1.5407 1.5407 3.5878 3.5878 6.1361 6.1361 6.3262 6.3262 6.3401 6.3401 7.0173 7.0173 8.4396 8.4396 8.4554 8.4554 8.6492 8.6492 10.3017 10.3017 10.7940 10.7940 11.9659 11.9659 12.3918 12.3918 12.9692 12.9692 12.9771 12.9771 13.2770 13.2770 13.2824 13.2824 13.7142 13.7142 14.1271 14.1271 14.1725 14.1725 15.1504 15.1504 k = 0.0000 0.3030-0.0000 ( 4112 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9582 -24.9582 -24.9535 -24.9535 -24.1377 -24.1377 -24.1368 -24.1368 -24.1324 -24.1324 -24.1314 -24.1314 -0.9346 -0.9346 1.4282 1.4282 3.6453 3.6453 6.0395 6.0395 6.3674 6.3674 6.3814 6.3814 7.0548 7.0548 8.3418 8.3418 8.3577 8.3577 8.6366 8.6366 10.4112 10.4112 10.8369 10.8369 11.8624 11.8624 12.3347 12.3347 13.0293 13.0293 13.0344 13.0344 13.3217 13.3217 13.3454 13.3454 13.8624 13.8624 14.1387 14.1387 14.1785 14.1785 15.1399 15.1399 k = 0.0000 0.3182-0.0000 ( 4104 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9581 -24.9581 -24.9537 -24.9537 -24.1376 -24.1376 -24.1366 -24.1366 -24.1326 -24.1326 -24.1316 -24.1316 -0.8735 -0.8735 1.3160 1.3160 3.7058 3.7058 5.9346 5.9346 6.4105 6.4105 6.4245 6.4245 7.1047 7.1047 8.2462 8.2462 8.2622 8.2622 8.6194 8.6194 10.5147 10.5147 10.8818 10.8818 11.7664 11.7664 12.2763 12.2763 13.0703 13.0703 13.0868 13.0868 13.3686 13.3686 13.4088 13.4088 14.0011 14.0011 14.1607 14.1607 14.1949 14.1949 15.1287 15.1287 k = 0.0000 0.3333-0.0000 ( 4096 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9579 -24.9579 -24.9539 -24.9539 -24.1375 -24.1375 -24.1364 -24.1364 -24.1329 -24.1329 -24.1318 -24.1318 -0.8097 -0.8097 1.2044 1.2044 3.7691 3.7691 5.8251 5.8251 6.4553 6.4553 6.4693 6.4693 7.1632 7.1632 8.1530 8.1530 8.1689 8.1689 8.5971 8.5971 10.6111 10.6111 10.9284 10.9284 11.6784 11.6784 12.2167 12.2167 13.1040 13.1040 13.1291 13.1291 13.4128 13.4128 13.4659 13.4659 14.1298 14.1298 14.1953 14.1953 14.2245 14.2245 15.1169 15.1169 k = 0.0000 0.3485-0.0000 ( 4104 PWs) bands (ev): -50.4988 -50.4988 -50.4984 -50.4984 -24.9578 -24.9578 -24.9541 -24.9541 -24.1373 -24.1373 -24.1362 -24.1362 -24.1331 -24.1331 -24.1320 -24.1320 -0.7430 -0.7430 1.0936 1.0936 3.8353 3.8353 5.7134 5.7134 6.5016 6.5016 6.5156 6.5156 7.2280 7.2280 8.0624 8.0624 8.0781 8.0781 8.5693 8.5693 10.6996 10.6996 10.9768 10.9768 11.5986 11.5986 12.1561 12.1561 13.1331 13.1331 13.1643 13.1643 13.4497 13.4497 13.5116 13.5116 14.2435 14.2435 14.2477 14.2477 14.2697 14.2697 15.1043 15.1043 k = 0.0000 0.3636-0.0000 ( 4096 PWs) bands (ev): -50.4988 -50.4988 -50.4984 -50.4984 -24.9576 -24.9576 -24.9543 -24.9543 -24.1372 -24.1372 -24.1360 -24.1360 -24.1334 -24.1334 -24.1322 -24.1322 -0.6737 -0.6737 0.9838 0.9838 3.9044 3.9044 5.6010 5.6010 6.5494 6.5494 6.5633 6.5633 7.2975 7.2975 7.9746 7.9746 7.9901 7.9901 8.5358 8.5358 10.7797 10.7797 11.0268 11.0268 11.5271 11.5271 12.0946 12.0946 13.1596 13.1596 13.1950 13.1950 13.4770 13.4770 13.5439 13.5439 14.3053 14.3053 14.3277 14.3277 14.3580 14.3580 15.0909 15.0909 k = 0.0000 0.3788-0.0000 ( 4096 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9575 -24.9575 -24.9545 -24.9545 -24.1370 -24.1370 -24.1358 -24.1358 -24.1336 -24.1336 -24.1324 -24.1324 -0.6016 -0.6016 0.8752 0.8752 3.9764 3.9764 5.4888 5.4888 6.5983 6.5983 6.6121 6.6121 7.3704 7.3704 7.8898 7.8898 7.9050 7.9050 8.4964 8.4964 10.8513 10.8513 11.0782 11.0782 11.4637 11.4637 12.0325 12.0325 13.1842 13.1842 13.2225 13.2225 13.4944 13.4944 13.5632 13.5632 14.3789 14.3789 14.4012 14.4012 14.4559 14.4559 15.0765 15.0765 k = 0.0000 0.3939-0.0000 ( 4088 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9573 -24.9573 -24.9547 -24.9547 -24.1369 -24.1369 -24.1356 -24.1356 -24.1339 -24.1339 -24.1326 -24.1326 -0.5269 -0.5269 0.7680 0.7680 4.0512 4.0512 5.3777 5.3777 6.6480 6.6480 6.6615 6.6615 7.4459 7.4459 7.8086 7.8086 7.8234 7.8234 8.4511 8.4511 10.9143 10.9143 11.1310 11.1310 11.4081 11.4081 11.9700 11.9700 13.2077 13.2077 13.2476 13.2476 13.5035 13.5035 13.5715 13.5715 14.4618 14.4618 14.4847 14.4847 14.5438 14.5438 15.0612 15.0612 k = 0.0000 0.4091-0.0000 ( 4096 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9571 -24.9571 -24.9549 -24.9549 -24.1367 -24.1367 -24.1354 -24.1354 -24.1341 -24.1341 -24.1328 -24.1328 -0.4496 -0.4496 0.6623 0.6623 4.1289 4.1289 5.2679 5.2679 6.6979 6.6979 6.7110 6.7110 7.5234 7.5234 7.7316 7.7316 7.7458 7.7458 8.4002 8.4002 10.9692 10.9692 11.1850 11.1850 11.3599 11.3599 11.9071 11.9071 13.2301 13.2301 13.2707 13.2707 13.5060 13.5060 13.5714 13.5714 14.5509 14.5509 14.5744 14.5744 14.6216 14.6216 15.0448 15.0448 k = 0.0000 0.4242-0.0000 ( 4100 PWs) bands (ev): -50.4987 -50.4987 -50.4985 -50.4985 -24.9570 -24.9570 -24.9551 -24.9551 -24.1365 -24.1365 -24.1352 -24.1352 -24.1343 -24.1343 -24.1330 -24.1330 -0.3697 -0.3697 0.5583 0.5583 4.2093 4.2093 5.1599 5.1599 6.7472 6.7472 6.7597 6.7597 7.6021 7.6021 7.6598 7.6598 7.6729 7.6729 8.3438 8.3438 11.0166 11.0166 11.2402 11.2402 11.3183 11.3183 11.8441 11.8441 13.2516 13.2516 13.2916 13.2916 13.5043 13.5043 13.5652 13.5652 14.6428 14.6428 14.6658 14.6658 14.6904 14.6904 15.0270 15.0270 k = 0.0000 0.4394-0.0000 ( 4100 PWs) bands (ev): -50.4987 -50.4987 -50.4985 -50.4985 -24.9568 -24.9568 -24.9553 -24.9553 -24.1363 -24.1363 -24.1350 -24.1350 -24.1346 -24.1346 -24.1332 -24.1332 -0.2873 -0.2873 0.4560 0.4560 4.2926 4.2926 5.0539 5.0539 6.7946 6.7946 6.8061 6.8061 7.5937 7.5937 7.6062 7.6062 7.6825 7.6825 8.2825 8.2825 11.0571 11.0571 11.2825 11.2825 11.2966 11.2966 11.7811 11.7811 13.2720 13.2720 13.3098 13.3098 13.5003 13.5003 13.5550 13.5550 14.7340 14.7340 14.7424 14.7424 14.7630 14.7630 15.0078 15.0078 k = 0.0000 0.4545-0.0000 ( 4100 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9555 -24.9555 -24.1361 -24.1361 -24.1348 -24.1348 -24.1347 -24.1347 -24.1334 -24.1334 -0.2024 -0.2024 0.3556 0.3556 4.3786 4.3786 4.9500 4.9500 6.8382 6.8382 6.8482 6.8482 7.5369 7.5369 7.5475 7.5475 7.7624 7.7624 8.2168 8.2168 11.0919 11.0919 11.2514 11.2514 11.3541 11.3541 11.7184 11.7184 13.2910 13.2910 13.3241 13.3241 13.4965 13.4965 13.5423 13.5423 14.7946 14.7946 14.8198 14.8198 14.8450 14.8450 14.9869 14.9869 k = 0.0000 0.4697-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9564 -24.9564 -24.9556 -24.9556 -24.1359 -24.1359 -24.1351 -24.1351 -24.1345 -24.1345 -24.1336 -24.1336 -0.1150 -0.1150 0.2572 0.2572 4.4673 4.4673 4.8485 4.8485 6.8750 6.8750 6.8825 6.8825 7.4920 7.4920 7.5000 7.5000 7.8421 7.8421 8.1471 8.1471 11.1221 11.1221 11.2238 11.2238 11.4127 11.4127 11.6560 11.6560 13.3080 13.3080 13.3332 13.3332 13.4950 13.4950 13.5287 13.5287 14.8380 14.8380 14.8937 14.8937 14.9145 14.9145 14.9642 14.9642 k = 0.0000 0.4848-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9558 -24.9558 -24.1357 -24.1357 -24.1353 -24.1353 -24.1343 -24.1343 -24.1339 -24.1339 -0.0254 -0.0254 0.1608 0.1608 4.5587 4.5587 4.7494 4.7494 6.9009 6.9009 6.9050 6.9050 7.4632 7.4632 7.4676 7.4676 7.9211 7.9211 8.0742 8.0742 11.1489 11.1489 11.1984 11.1984 11.4723 11.4723 11.5941 11.5941 13.3220 13.3220 13.3359 13.3359 13.4975 13.4975 13.5156 13.5156 14.8754 14.8754 14.9334 14.9334 14.9529 14.9529 14.9605 14.9605 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1355 -24.1355 -24.1355 -24.1355 -24.1341 -24.1341 -24.1341 -24.1341 0.0666 0.0666 0.0666 0.0666 4.6527 4.6527 4.6528 4.6528 6.9117 6.9117 6.9117 6.9117 7.4546 7.4546 7.4546 7.4546 7.9987 7.9987 7.9987 7.9987 11.1739 11.1739 11.1739 11.1739 11.5328 11.5328 11.5328 11.5328 13.3318 13.3318 13.3318 13.3318 13.5047 13.5047 13.5047 13.5047 14.9078 14.9078 14.9078 14.9078 14.9734 14.9734 14.9734 14.9734 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1355 -24.1355 -24.1355 -24.1355 -24.1341 -24.1341 -24.1341 -24.1341 0.0666 0.0666 0.0666 0.0666 4.6527 4.6527 4.6528 4.6528 6.9117 6.9117 6.9117 6.9117 7.4546 7.4546 7.4546 7.4546 7.9987 7.9987 7.9987 7.9987 11.1739 11.1739 11.1739 11.1739 11.5328 11.5328 11.5328 11.5328 13.3318 13.3318 13.3318 13.3318 13.5047 13.5047 13.5047 13.5047 14.9078 14.9078 14.9078 14.9078 14.9734 14.9734 14.9734 14.9734 k = 0.0152 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1356 -24.1356 -24.1355 -24.1355 -24.1341 -24.1341 -24.1340 -24.1340 0.0680 0.0680 0.0681 0.0681 4.6472 4.6472 4.6483 4.6483 6.8984 6.8984 6.9123 6.9123 7.4395 7.4395 7.4555 7.4555 8.0194 8.0194 8.0220 8.0220 11.1706 11.1706 11.1739 11.1739 11.5272 11.5272 11.5307 11.5307 13.3255 13.3255 13.3340 13.3340 13.5001 13.5001 13.5047 13.5047 14.8848 14.8848 14.9075 14.9075 14.9736 14.9736 15.0005 15.0005 k = 0.0303 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1356 -24.1356 -24.1356 -24.1356 -24.1340 -24.1340 -24.1340 -24.1340 0.0723 0.0723 0.0724 0.0724 4.6307 4.6307 4.6349 4.6349 6.8620 6.8620 6.9140 6.9140 7.4010 7.4010 7.4580 7.4580 8.0783 8.0783 8.0850 8.0850 11.1636 11.1636 11.1709 11.1709 11.5137 11.5137 11.5214 11.5214 13.3071 13.3071 13.3400 13.3400 13.4872 13.4872 13.5045 13.5045 14.8501 14.8501 14.9028 14.9028 14.9783 14.9783 15.0472 15.0472 k = 0.0455 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9560 -24.9560 -24.1357 -24.1357 -24.1357 -24.1357 -24.1339 -24.1339 -24.1339 -24.1339 0.0794 0.0794 0.0796 0.0796 4.6034 4.6034 4.6126 4.6126 6.8098 6.8098 6.9168 6.9168 7.3515 7.3515 7.4622 7.4622 8.1681 8.1681 8.1754 8.1754 11.1528 11.1528 11.1649 11.1649 11.4922 11.4922 11.5055 11.5055 13.2775 13.2775 13.3490 13.3490 13.4668 13.4668 13.5045 13.5045 14.8177 14.8177 14.8954 14.8954 14.9861 14.9861 15.0985 15.0985 k = 0.0606 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1359 -24.1359 -24.1358 -24.1358 -24.1339 -24.1339 -24.1338 -24.1338 0.0894 0.0894 0.0897 0.0897 4.5656 4.5656 4.5811 4.5811 6.7497 6.7497 6.9207 6.9207 7.3000 7.3000 7.4680 7.4680 8.2807 8.2807 8.2835 8.2835 11.1376 11.1376 11.1560 11.1560 11.4632 11.4632 11.4834 11.4834 13.2384 13.2384 13.3577 13.3577 13.4426 13.4426 13.5048 13.5048 14.7900 14.7900 14.8857 14.8857 14.9970 14.9970 15.1507 15.1507 k = 0.0758 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1360 -24.1360 -24.1359 -24.1359 -24.1337 -24.1337 -24.1337 -24.1337 0.1022 0.1022 0.1026 0.1026 4.5179 4.5179 4.5405 4.5405 6.6877 6.6877 6.9257 6.9257 7.2515 7.2515 7.4754 7.4754 8.4032 8.4032 8.4106 8.4106 11.1180 11.1180 11.1442 11.1442 11.4274 11.4274 11.4554 11.4554 13.1918 13.1918 13.3560 13.3560 13.4250 13.4250 13.5055 13.5055 14.7672 14.7672 14.8743 14.8743 15.0107 15.0107 15.2018 15.2018 k = 0.0909 0.5000-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1362 -24.1362 -24.1361 -24.1361 -24.1336 -24.1336 -24.1335 -24.1335 0.1178 0.1178 0.1185 0.1185 4.4609 4.4609 4.4907 4.4907 6.6283 6.6283 6.9317 6.9317 7.2087 7.2087 7.4844 7.4844 8.5317 8.5317 8.5523 8.5523 11.0936 11.0936 11.1294 11.1294 11.3856 11.3856 11.4219 11.4219 13.1401 13.1401 13.3303 13.3303 13.4280 13.4280 13.5065 13.5065 14.7491 14.7491 14.8617 14.8617 15.0274 15.0274 15.2505 15.2505 k = 0.1061 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1363 -24.1363 -24.1362 -24.1362 -24.1335 -24.1335 -24.1334 -24.1334 0.1363 0.1363 0.1371 0.1371 4.3952 4.3952 4.4320 4.4320 6.5741 6.5741 6.9388 6.9388 7.1729 7.1729 7.4950 7.4950 8.6663 8.6663 8.7030 8.7030 11.0641 11.0641 11.1115 11.1115 11.3387 11.3387 11.3834 11.3834 13.0858 13.0858 13.2892 13.2892 13.4438 13.4438 13.5076 13.5076 14.7355 14.7355 14.8484 14.8484 15.0469 15.0469 15.2960 15.2960 k = 0.1212 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1365 -24.1365 -24.1364 -24.1364 -24.1334 -24.1334 -24.1333 -24.1333 0.1575 0.1575 0.1586 0.1586 4.3216 4.3216 4.3648 4.3648 6.5269 6.5269 6.9468 6.9468 7.1446 7.1446 7.5071 7.5071 8.8052 8.8052 8.8603 8.8603 11.0294 11.0294 11.0904 11.0904 11.2875 11.2875 11.3404 11.3404 13.0310 13.0310 13.2421 13.2421 13.4635 13.4635 13.5090 13.5090 14.7259 14.7259 14.8350 14.8350 15.0692 15.0692 15.3377 15.3377 k = 0.1364 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1367 -24.1367 -24.1366 -24.1366 -24.1332 -24.1332 -24.1332 -24.1332 0.1815 0.1815 0.1829 0.1829 4.2412 4.2412 4.2895 4.2895 6.4875 6.4875 6.9558 6.9558 7.1238 7.1238 7.5207 7.5207 8.9470 8.9470 9.0224 9.0224 10.9895 10.9895 11.0662 11.0662 11.2328 11.2328 11.2933 11.2933 12.9778 12.9778 13.1928 13.1928 13.4844 13.4844 13.5104 13.5104 14.7201 14.7201 14.8219 14.8219 15.0940 15.0940 15.3754 15.3754 k = 0.1515 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1368 -24.1368 -24.1367 -24.1367 -24.1331 -24.1331 -24.1330 -24.1330 0.2082 0.2082 0.2100 0.2100 4.1546 4.1546 4.2070 4.2070 6.4562 6.4562 6.9656 6.9656 7.1105 7.1105 7.5357 7.5357 9.0903 9.0903 9.1877 9.1877 10.9444 10.9444 11.0391 11.0391 11.1755 11.1755 11.2428 11.2428 12.9277 12.9277 13.1431 13.1431 13.5039 13.5039 13.5129 13.5129 14.7178 14.7178 14.8095 14.8095 15.1211 15.1211 15.4092 15.4092 k = 0.1667 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1370 -24.1370 -24.1369 -24.1369 -24.1330 -24.1330 -24.1329 -24.1329 0.2377 0.2377 0.2399 0.2399 4.0630 4.0630 4.1180 4.1180 6.4328 6.4328 6.9763 6.9763 7.1041 7.1041 7.5520 7.5520 9.2336 9.2336 9.3548 9.3548 10.8945 10.8945 11.0096 11.0096 11.1162 11.1162 11.1892 11.1892 12.8820 12.8820 13.0947 13.0947 13.5108 13.5108 13.5271 13.5271 14.7189 14.7189 14.7979 14.7979 15.1504 15.1504 15.4392 15.4392 k = 0.1818 0.5000-0.0000 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1372 -24.1372 -24.1371 -24.1371 -24.1329 -24.1329 -24.1328 -24.1328 0.2698 0.2698 0.2725 0.2725 3.9669 3.9669 4.0235 4.0235 6.4171 6.4171 6.9878 6.9878 7.1044 7.1044 7.5696 7.5696 9.3751 9.3751 9.5221 9.5221 10.8406 10.8406 10.9783 10.9783 11.0557 11.0557 11.1331 11.1331 12.8417 12.8417 13.0488 13.0488 13.5120 13.5120 13.5456 13.5456 14.7233 14.7233 14.7875 14.7875 15.1815 15.1815 15.4657 15.4657 k = 0.1970 0.5000-0.0000 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1373 -24.1373 -24.1372 -24.1372 -24.1328 -24.1328 -24.1327 -24.1327 0.3046 0.3046 0.3078 0.3078 3.8675 3.8675 3.9243 3.9243 6.4083 6.4083 6.9999 6.9999 7.1107 7.1107 7.5884 7.5884 9.5128 9.5128 9.6877 9.6877 10.7838 10.7838 10.9466 10.9466 10.9945 10.9945 11.0751 11.0751 12.8076 12.8076 13.0064 13.0064 13.5125 13.5125 13.5630 13.5630 14.7311 14.7311 14.7782 14.7782 15.2141 15.2141 15.4890 15.4890 k = 0.2121 0.5000-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1375 -24.1375 -24.1374 -24.1374 -24.1327 -24.1327 -24.1326 -24.1326 0.3420 0.3420 0.3457 0.3457 3.7652 3.7652 3.8215 3.8215 6.4060 6.4060 7.0126 7.0126 7.1226 7.1226 7.6082 7.6082 9.6438 9.6438 9.8490 9.8490 10.7266 10.7266 10.9156 10.9156 10.9343 10.9343 11.0157 11.0157 12.7799 12.7799 12.9683 12.9683 13.5126 13.5126 13.5788 13.5788 14.7419 14.7419 14.7703 14.7703 15.2478 15.2478 15.5095 15.5095 k = 0.2273 0.5000-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1377 -24.1377 -24.1376 -24.1376 -24.1326 -24.1326 -24.1325 -24.1325 0.3820 0.3820 0.3863 0.3863 3.6610 3.6610 3.7159 3.7159 6.4093 6.4093 7.0258 7.0258 7.1396 7.1396 7.6290 7.6290 9.7641 9.7641 10.0010 10.0010 10.6735 10.6735 10.8691 10.8691 10.8952 10.8952 10.9555 10.9555 12.7590 12.7590 12.9350 12.9350 13.5125 13.5125 13.5929 13.5929 14.7539 14.7539 14.7658 14.7658 15.2822 15.2822 15.5276 15.5276 k = 0.2424 0.5000-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1378 -24.1378 -24.1377 -24.1377 -24.1325 -24.1325 -24.1324 -24.1324 0.4244 0.4244 0.4294 0.4294 3.5553 3.5553 3.6083 3.6083 6.4176 6.4176 7.0395 7.0395 7.1612 7.1612 7.6506 7.6506 9.8687 9.8687 10.1329 10.1329 10.6349 10.6349 10.8095 10.8095 10.8786 10.8786 10.8961 10.8961 12.7448 12.7448 12.9071 12.9071 13.5120 13.5120 13.6052 13.6052 14.7533 14.7533 14.7782 14.7782 15.3170 15.3170 15.5435 15.5435 k = 0.2576 0.5000-0.0000 ( 4098 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9563 -24.9563 -24.9563 -24.9563 -24.1380 -24.1380 -24.1379 -24.1379 -24.1324 -24.1324 -24.1323 -24.1323 0.4692 0.4692 0.4750 0.4750 3.4488 3.4488 3.4994 3.4994 6.4303 6.4303 7.0534 7.0534 7.1868 7.1868 7.6728 7.6728 9.9510 9.9510 10.2215 10.2215 10.6334 10.6334 10.7506 10.7506 10.8329 10.8329 10.8832 10.8832 12.7374 12.7374 12.8847 12.8847 13.5113 13.5113 13.6160 13.6160 14.7470 14.7470 14.8001 14.8001 15.3518 15.3518 15.5575 15.5575 k = 0.2727 0.5000-0.0000 ( 4114 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1381 -24.1381 -24.1380 -24.1380 -24.1323 -24.1323 -24.1322 -24.1322 0.5163 0.5163 0.5230 0.5230 3.3421 3.3421 3.3898 3.3898 6.4467 6.4467 7.0675 7.0675 7.2161 7.2161 7.6956 7.6956 10.0049 10.0049 10.2433 10.2433 10.6790 10.6790 10.7055 10.7055 10.7746 10.7746 10.9066 10.9066 12.7367 12.7367 12.8681 12.8681 13.5104 13.5104 13.6251 13.6251 14.7396 14.7396 14.8267 14.8267 15.3862 15.3862 15.5698 15.5698 k = 0.2879 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1383 -24.1383 -24.1382 -24.1382 -24.1322 -24.1322 -24.1321 -24.1321 0.5657 0.5657 0.5733 0.5733 3.2357 3.2357 3.2802 3.2802 6.4662 6.4662 7.0816 7.0816 7.2485 7.2485 7.7187 7.7187 10.0277 10.0277 10.2138 10.2138 10.6338 10.6338 10.7105 10.7105 10.8045 10.8045 10.9548 10.9548 12.7424 12.7424 12.8573 12.8573 13.5093 13.5093 13.6329 13.6329 14.7305 14.7305 14.8575 14.8575 15.4198 15.4198 15.5807 15.5807 k = 0.3030 0.5000-0.0000 ( 4126 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1384 -24.1384 -24.1383 -24.1383 -24.1321 -24.1321 -24.1320 -24.1320 0.6170 0.6170 0.6257 0.6257 3.1299 3.1299 3.1712 3.1712 6.4882 6.4882 7.0957 7.0957 7.2834 7.2834 7.7419 7.7419 10.0218 10.0218 10.1617 10.1617 10.5802 10.5802 10.6541 10.6541 10.9233 10.9233 11.0250 11.0250 12.7546 12.7546 12.8525 12.8525 13.5081 13.5081 13.6393 13.6393 14.7188 14.7188 14.8926 14.8926 15.4523 15.4523 15.5904 15.5904 k = 0.3182 0.5000-0.0000 ( 4122 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1385 -24.1385 -24.1384 -24.1384 -24.1321 -24.1321 -24.1320 -24.1320 0.6703 0.6703 0.6801 0.6801 3.0254 3.0254 3.0633 3.0633 6.5121 6.5121 7.1095 7.1095 7.3204 7.3204 7.7651 7.7651 9.9932 9.9932 10.1018 10.1018 10.5288 10.5288 10.5984 10.5984 11.0432 11.0432 11.1116 11.1116 12.7728 12.7728 12.8537 12.8537 13.5067 13.5067 13.6446 13.6446 14.7036 14.7036 14.9319 14.9319 15.4833 15.4833 15.5989 15.5989 k = 0.3333 0.5000-0.0000 ( 4122 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9565 -24.9565 -24.9565 -24.9565 -24.1386 -24.1386 -24.1385 -24.1385 -24.1320 -24.1320 -24.1319 -24.1319 0.7252 0.7252 0.7363 0.7363 2.9225 2.9225 2.9569 2.9569 6.5372 6.5372 7.1230 7.1230 7.3590 7.3590 7.7879 7.7879 9.9489 9.9489 10.0399 10.0399 10.4800 10.4800 10.5450 10.5450 11.1554 11.1554 11.2086 11.2086 12.7968 12.7968 12.8609 12.8609 13.5053 13.5053 13.6489 13.6489 14.6840 14.6840 14.9748 14.9748 15.5126 15.5126 15.6064 15.6064 k = 0.3485 0.5000-0.0000 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9565 -24.9565 -24.9565 -24.9565 -24.1387 -24.1387 -24.1387 -24.1387 -24.1319 -24.1319 -24.1318 -24.1318 0.7814 0.7814 0.7940 0.7940 2.8219 2.8219 2.8527 2.8527 6.5631 6.5631 7.1359 7.1359 7.3984 7.3984 7.8101 7.8101 9.8953 9.8953 9.9783 9.9783 10.4341 10.4341 10.4944 10.4944 11.2577 11.2577 11.3087 11.3087 12.8259 12.8259 12.8742 12.8742 13.5039 13.5039 13.6523 13.6523 14.6594 14.6594 15.0207 15.0207 15.5398 15.5398 15.6131 15.6131 k = 0.3636 0.5000-0.0000 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9565 -24.9565 -24.9565 -24.9565 -24.1388 -24.1388 -24.1388 -24.1388 -24.1319 -24.1319 -24.1318 -24.1318 0.8386 0.8386 0.8529 0.8529 2.7240 2.7240 2.7512 2.7512 6.5890 6.5890 7.1483 7.1483 7.4380 7.4380 7.8315 7.8315 9.8378 9.8378 9.9178 9.9178 10.3915 10.3915 10.4471 10.4471 11.3512 11.3512 11.4047 11.4047 12.8591 12.8591 12.8935 12.8935 13.5025 13.5025 13.6549 13.6549 14.6296 14.6296 15.0682 15.0682 15.5645 15.5645 15.6191 15.6191 k = 0.3788 0.5000-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9565 -24.9565 -24.9565 -24.9565 -24.1389 -24.1389 -24.1389 -24.1389 -24.1318 -24.1318 -24.1317 -24.1317 0.8963 0.8963 0.9124 0.9124 2.6296 2.6296 2.6532 2.6532 6.6145 6.6145 7.1598 7.1598 7.4771 7.4771 7.8517 7.8517 9.7801 9.7801 9.8591 9.8591 10.3523 10.3523 10.4036 10.4036 11.4359 11.4359 11.4920 11.4920 12.8948 12.8948 12.9187 12.9187 13.5012 13.5012 13.6570 13.6570 14.5951 14.5951 15.1155 15.1155 15.5862 15.5862 15.6244 15.6244 k = 0.3939 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9565 -24.9565 -24.1390 -24.1390 -24.1389 -24.1389 -24.1318 -24.1318 -24.1317 -24.1317 0.9538 0.9538 0.9719 0.9719 2.5393 2.5393 2.5593 2.5593 6.6389 6.6389 7.1703 7.1703 7.5149 7.5149 7.8705 7.8705 9.7248 9.7248 9.8034 9.8034 10.3167 10.3167 10.3643 10.3643 11.5113 11.5113 11.5687 11.5687 12.9311 12.9311 12.9496 12.9496 13.4999 13.4999 13.6585 13.6585 14.5567 14.5567 15.1604 15.1604 15.6041 15.6041 15.6290 15.6290 k = 0.4091 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1391 -24.1391 -24.1390 -24.1390 -24.1317 -24.1317 -24.1316 -24.1316 1.0101 1.0101 1.0304 1.0304 2.4544 2.4544 2.4707 2.4707 6.6615 6.6615 7.1798 7.1798 7.5506 7.5506 7.8876 7.8876 9.6736 9.6736 9.7518 9.7518 10.2850 10.2850 10.3297 10.3297 11.5765 11.5765 11.6343 11.6343 12.9665 12.9665 12.9848 12.9848 13.4988 13.4988 13.6597 13.6597 14.5161 14.5161 15.2005 15.2005 15.6168 15.6168 15.6323 15.6323 k = 0.4242 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1392 -24.1392 -24.1391 -24.1391 -24.1317 -24.1317 -24.1316 -24.1316 1.0640 1.0640 1.0868 1.0868 2.3761 2.3761 2.3888 2.3888 6.6819 6.6819 7.1881 7.1881 7.5831 7.5831 7.9026 7.9026 9.6279 9.6279 9.7056 9.7056 10.2574 10.2574 10.3000 10.3000 11.6310 11.6310 11.6889 11.6889 13.0010 13.0010 13.0206 13.0206 13.4978 13.4978 13.6605 13.6605 14.4752 14.4752 15.2337 15.2337 15.6241 15.6241 15.6339 15.6339 k = 0.4394 0.5000-0.0000 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1392 -24.1392 -24.1391 -24.1391 -24.1317 -24.1317 -24.1316 -24.1316 1.1139 1.1139 1.1392 1.1392 2.3062 2.3062 2.3154 2.3154 6.6995 6.6995 7.1950 7.1950 7.6115 7.6115 7.9153 7.9153 9.5888 9.5888 9.6660 9.6660 10.2343 10.2343 10.2756 10.2756 11.6748 11.6748 11.7327 11.7327 13.0336 13.0336 13.0540 13.0540 13.4969 13.4969 13.6611 13.6611 14.4364 14.4364 15.2591 15.2591 15.6275 15.6275 15.6350 15.6350 k = 0.4545 0.5000-0.0000 ( 4100 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1392 -24.1392 -24.1392 -24.1392 -24.1317 -24.1317 -24.1316 -24.1316 1.1573 1.1573 1.1852 1.1852 2.2471 2.2471 2.2531 2.2531 6.7137 6.7137 7.2005 7.2005 7.6348 7.6348 7.9254 7.9254 9.5571 9.5571 9.6340 9.6340 10.2158 10.2158 10.2566 10.2566 11.7082 11.7082 11.7662 11.7662 13.0622 13.0622 13.0829 13.0829 13.4963 13.4963 13.6615 13.6615 14.4022 14.4022 15.2771 15.2771 15.6288 15.6288 15.6364 15.6364 k = 0.4697 0.5000-0.0000 ( 4100 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1317 -24.1317 -24.1315 -24.1315 1.1916 1.1916 1.2219 1.2219 2.2013 2.2013 2.2049 2.2049 6.7242 6.7242 7.2045 7.2045 7.6522 7.6522 7.9328 7.9328 9.5339 9.5339 9.6105 9.6105 10.2023 10.2023 10.2429 10.2429 11.7316 11.7316 11.7898 11.7898 13.0845 13.0845 13.1053 13.1053 13.4958 13.4958 13.6618 13.6618 14.3754 14.3754 15.2885 15.2885 15.6293 15.6293 15.6376 15.6376 k = 0.4848 0.5000-0.0000 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2139 1.2139 1.2458 1.2458 2.1719 2.1719 2.1744 2.1744 6.7306 6.7306 7.2069 7.2069 7.6630 7.6630 7.9374 7.9374 9.5196 9.5196 9.5962 9.5962 10.1941 10.1941 10.2348 10.2348 11.7454 11.7454 11.8038 11.8038 13.0985 13.0985 13.1198 13.1198 13.4955 13.4955 13.6619 13.6619 14.3581 14.3581 15.2948 15.2948 15.6295 15.6295 15.6384 15.6384 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2216 1.2216 1.2541 1.2541 2.1616 2.1616 2.1640 2.1640 6.7328 6.7328 7.2077 7.2077 7.6666 7.6666 7.9389 7.9389 9.5148 9.5148 9.5913 9.5913 10.1914 10.1914 10.2320 10.2320 11.7500 11.7500 11.8084 11.8084 13.1032 13.1032 13.1247 13.1247 13.4954 13.4954 13.6619 13.6619 14.3522 14.3522 15.2968 15.2968 15.6295 15.6295 15.6387 15.6387 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2216 1.2216 1.2541 1.2541 2.1616 2.1616 2.1640 2.1640 6.7328 6.7328 7.2077 7.2077 7.6666 7.6666 7.9389 7.9389 9.5148 9.5148 9.5913 9.5913 10.1914 10.1914 10.2320 10.2320 11.7500 11.7500 11.8084 11.8084 13.1032 13.1032 13.1247 13.1247 13.4954 13.4954 13.6619 13.6619 14.3522 14.3522 15.2968 15.2968 15.6295 15.6295 15.6387 15.6387 k = 0.4894 0.4894-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2117 1.2117 1.2484 1.2484 2.1638 2.1638 2.1820 2.1820 6.7306 6.7306 7.2069 7.2069 7.6631 7.6631 7.9374 7.9374 9.5194 9.5194 9.5962 9.5962 10.1939 10.1939 10.2349 10.2349 11.7449 11.7449 11.8044 11.8044 13.0984 13.0984 13.1200 13.1200 13.4955 13.4955 13.6619 13.6619 14.3580 14.3580 15.2949 15.2949 15.6294 15.6294 15.6384 15.6384 k = 0.4787 0.4787-0.0000 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1317 -24.1317 -24.1315 -24.1315 1.1708 1.1708 1.2459 1.2459 2.1673 2.1673 2.2355 2.2355 6.7241 6.7241 7.2044 7.2044 7.6527 7.6527 7.9331 7.9331 9.5312 9.5312 9.6124 9.6124 10.1997 10.1997 10.2451 10.2451 11.7239 11.7239 11.7986 11.7986 13.0823 13.0823 13.1077 13.1077 13.4958 13.4958 13.6618 13.6618 14.3747 14.3747 15.2903 15.2903 15.6288 15.6288 15.6377 15.6377 k = 0.4681 0.4681-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1391 -24.1391 -24.1317 -24.1317 -24.1315 -24.1315 1.1036 1.1036 1.2501 1.2501 2.1729 2.1729 2.3156 2.3156 6.7131 6.7131 7.2001 7.2001 7.6368 7.6368 7.9265 7.9265 9.5461 9.5461 9.6431 9.6431 10.2052 10.2052 10.2661 10.2661 11.6795 11.6795 11.7991 11.7991 13.0536 13.0536 13.0910 13.0910 13.4960 13.4960 13.6619 13.6619 14.4001 14.4001 15.2851 15.2851 15.6265 15.6265 15.6369 15.6369 k = 0.4574 0.4574-0.0000 ( 4118 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9565 -24.9565 -24.1393 -24.1393 -24.1391 -24.1391 -24.1317 -24.1317 -24.1315 -24.1315 1.0210 1.0210 1.2579 1.2579 2.1807 2.1807 2.4143 2.4143 6.6973 6.6973 7.1935 7.1935 7.6170 7.6170 7.9185 7.9185 9.5612 9.5612 9.6895 9.6895 10.2090 10.2090 10.2986 10.2986 11.6131 11.6131 11.8056 11.8056 13.0143 13.0143 13.0700 13.0700 13.4960 13.4960 13.6622 13.6622 14.4310 14.4310 15.2822 15.2822 15.6210 15.6210 15.6356 15.6356 k = 0.4468 0.4468-0.0000 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9565 -24.9565 -24.1392 -24.1392 -24.1390 -24.1390 -24.1318 -24.1318 -24.1315 -24.1315 0.9294 0.9294 1.2685 1.2685 2.1906 2.1906 2.5260 2.5260 6.6765 6.6765 7.1844 7.1844 7.5951 7.5951 7.9098 7.9098 9.5764 9.5764 9.7496 9.7496 10.2118 10.2118 10.3412 10.3412 11.5281 11.5281 11.8164 11.8164 12.9673 12.9673 13.0444 13.0444 13.4957 13.4957 13.6631 13.6631 14.4640 14.4640 15.2845 15.2845 15.6099 15.6099 15.6310 15.6310 k = 0.4362 0.4362-0.0000 ( 4114 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9564 -24.9564 -24.1392 -24.1392 -24.1389 -24.1389 -24.1319 -24.1319 -24.1315 -24.1315 0.8329 0.8329 1.2817 1.2817 2.2027 2.2027 2.6469 2.6469 6.6504 6.6504 7.1721 7.1721 7.5730 7.5730 7.9018 7.9018 9.5923 9.5923 9.8206 9.8206 10.2142 10.2142 10.3928 10.3928 11.4271 11.4271 11.8306 11.8306 12.9150 12.9150 13.0141 13.0141 13.4945 13.4945 13.6650 13.6650 14.4961 14.4961 15.2936 15.2936 15.5876 15.5876 15.6153 15.6153 k = 0.4255 0.4255-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9568 -24.9568 -24.9563 -24.9563 -24.1392 -24.1392 -24.1387 -24.1387 -24.1320 -24.1320 -24.1315 -24.1315 0.7338 0.7338 1.2973 1.2973 2.2169 2.2169 2.7747 2.7747 6.6189 6.6189 7.1564 7.1564 7.5525 7.5525 7.8955 7.8955 9.6095 9.6095 9.8999 9.8999 10.2166 10.2166 10.4520 10.4520 11.3125 11.3125 11.8479 11.8479 12.8592 12.8592 12.9794 12.9794 13.4922 13.4922 13.6682 13.6682 14.5252 14.5252 15.3093 15.3093 15.5362 15.5362 15.5844 15.5844 k = 0.4149 0.4149-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9568 -24.9568 -24.9562 -24.9562 -24.1392 -24.1392 -24.1386 -24.1386 -24.1321 -24.1321 -24.1314 -24.1314 0.6337 0.6337 1.3154 1.3154 2.2332 2.2332 2.9078 2.9078 6.5821 6.5821 7.1369 7.1369 7.5349 7.5349 7.8920 7.8920 9.6280 9.6280 9.9851 9.9851 10.2192 10.2192 10.5181 10.5181 11.1862 11.1862 11.8679 11.8679 12.8017 12.8017 12.9406 12.9406 13.4885 13.4885 13.6730 13.6730 14.5501 14.5501 15.3251 15.3251 15.4362 15.4362 15.5445 15.5445 k = 0.4043 0.4043-0.0000 ( 4104 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9569 -24.9569 -24.9562 -24.9562 -24.1392 -24.1392 -24.1384 -24.1384 -24.1322 -24.1322 -24.1314 -24.1314 0.5335 0.5335 1.3359 1.3359 2.2514 2.2514 3.0453 3.0453 6.5405 6.5405 7.1133 7.1133 7.5212 7.5212 7.8923 7.8923 9.6475 9.6475 10.0738 10.0738 10.2225 10.2225 10.5900 10.5900 11.0502 11.0502 11.8906 11.8906 12.7437 12.7437 12.8985 12.8985 13.4832 13.4832 13.6797 13.6797 14.5705 14.5705 15.2672 15.2672 15.3807 15.3807 15.4982 15.4982 k = 0.3936 0.3936-0.0000 ( 4098 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9569 -24.9569 -24.9561 -24.9561 -24.1392 -24.1392 -24.1382 -24.1382 -24.1324 -24.1324 -24.1314 -24.1314 0.4341 0.4341 1.3587 1.3587 2.2715 2.2715 3.1864 3.1864 6.4944 6.4944 7.0855 7.0855 7.5118 7.5118 7.8968 7.8968 9.6679 9.6679 10.1615 10.1615 10.2288 10.2288 10.6670 10.6670 10.9065 10.9065 11.9160 11.9160 12.6864 12.6864 12.8537 12.8537 13.4761 13.4761 13.6883 13.6883 14.5869 14.5869 15.1253 15.1253 15.3937 15.3937 15.4491 15.4491 k = 0.3830 0.3830-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9570 -24.9570 -24.9559 -24.9559 -24.1392 -24.1392 -24.1380 -24.1380 -24.1325 -24.1325 -24.1313 -24.1313 0.3357 0.3357 1.3840 1.3840 2.2935 2.2935 3.3307 3.3307 6.4446 6.4446 7.0539 7.0539 7.5070 7.5070 7.9062 7.9062 9.6885 9.6885 10.2156 10.2156 10.2691 10.2691 10.7464 10.7464 10.7587 10.7587 11.9437 11.9437 12.6308 12.6308 12.8071 12.8071 13.4673 13.4673 13.6990 13.6990 14.6003 14.6003 14.9741 14.9741 15.3664 15.3664 15.4340 15.4340 k = 0.3723 0.3723-0.0000 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9558 -24.9558 -24.1392 -24.1392 -24.1378 -24.1378 -24.1327 -24.1327 -24.1313 -24.1313 0.2388 0.2388 1.4115 1.4115 2.3172 2.3172 3.4777 3.4777 6.3919 6.3919 7.0186 7.0186 7.5069 7.5069 7.9205 7.9205 9.7083 9.7083 10.2241 10.2241 10.3529 10.3529 10.6031 10.6031 10.8335 10.8335 11.9738 11.9738 12.5779 12.5779 12.7600 12.7600 13.4568 13.4568 13.7116 13.7116 14.6114 14.6114 14.8215 14.8215 15.2990 15.2990 15.4439 15.4439 k = 0.3617 0.3617-0.0000 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9557 -24.9557 -24.1392 -24.1392 -24.1375 -24.1375 -24.1329 -24.1329 -24.1312 -24.1312 0.1437 0.1437 1.4415 1.4415 2.3425 2.3425 3.6273 3.6273 6.3373 6.3373 6.9802 6.9802 7.5110 7.5110 7.9397 7.9397 9.7260 9.7260 10.2276 10.2276 10.4325 10.4325 10.4533 10.4533 10.9215 10.9215 12.0059 12.0059 12.5285 12.5285 12.7136 12.7136 13.4448 13.4448 13.7259 13.7259 14.6208 14.6208 14.6696 14.6696 15.2205 15.2205 15.4489 15.4489 k = 0.3511 0.3511-0.0000 ( 4114 PWs) bands (ev): -50.4987 -50.4987 -50.4985 -50.4985 -24.9572 -24.9572 -24.9556 -24.9556 -24.1392 -24.1392 -24.1373 -24.1373 -24.1330 -24.1330 -24.1312 -24.1312 0.0504 0.0504 1.4737 1.4737 2.3693 2.3693 3.7792 3.7792 6.2814 6.2814 6.9391 6.9391 7.5194 7.5194 7.9638 7.9638 9.7383 9.7383 10.2261 10.2261 10.2994 10.2994 10.5170 10.5170 11.0119 11.0119 12.0399 12.0399 12.4835 12.4835 12.6698 12.6698 13.4314 13.4314 13.7420 13.7420 14.5189 14.5189 14.6296 14.6296 15.1338 15.1338 15.4469 15.4469 k = 0.3404 0.3404-0.0000 ( 4108 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9573 -24.9573 -24.9554 -24.9554 -24.1391 -24.1391 -24.1370 -24.1370 -24.1332 -24.1332 -24.1311 -24.1311 -0.0407 -0.0407 1.5082 1.5082 2.3975 2.3975 3.9331 3.9331 6.2251 6.2251 6.8959 6.8959 7.5315 7.5315 7.9926 7.9926 9.7380 9.7380 10.1427 10.1427 10.2431 10.2431 10.5872 10.5872 11.1041 11.1041 12.0755 12.0755 12.4437 12.4437 12.6304 12.6304 13.4168 13.4168 13.7595 13.7595 14.3707 14.3707 14.6372 14.6372 15.0399 15.0399 15.4385 15.4385 k = 0.3298 0.3298-0.0000 ( 4108 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9574 -24.9574 -24.9553 -24.9553 -24.1391 -24.1391 -24.1367 -24.1367 -24.1335 -24.1335 -24.1310 -24.1310 -0.1296 -0.1296 1.5449 1.5449 2.4269 2.4269 4.0889 4.0889 6.1692 6.1692 6.8512 6.8512 7.5472 7.5472 8.0258 8.0258 9.7072 9.7072 10.0298 10.0298 10.2441 10.2441 10.6462 10.6462 11.1976 11.1976 12.1121 12.1121 12.4098 12.4098 12.5975 12.5975 13.4013 13.4013 13.7783 13.7783 14.2251 14.2251 14.6441 14.6441 14.9393 14.9393 15.4243 15.4243 k = 0.3191 0.3191-0.0000 ( 4116 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9575 -24.9575 -24.9551 -24.9551 -24.1391 -24.1391 -24.1364 -24.1364 -24.1337 -24.1337 -24.1310 -24.1310 -0.2162 -0.2162 1.5839 1.5839 2.4574 2.4574 4.2465 4.2465 6.1143 6.1143 6.8053 6.8053 7.5661 7.5661 8.0632 8.0632 9.6223 9.6223 9.9665 9.9665 10.2476 10.2476 10.6915 10.6915 11.2919 11.2919 12.1493 12.1493 12.3825 12.3825 12.5732 12.5732 13.3849 13.3849 13.7982 13.7982 14.0827 14.0827 14.6499 14.6499 14.8323 14.8323 15.4040 15.4040 k = 0.3085 0.3085-0.0000 ( 4120 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9575 -24.9575 -24.9550 -24.9550 -24.1391 -24.1391 -24.1361 -24.1361 -24.1339 -24.1339 -24.1309 -24.1309 -0.3005 -0.3005 1.6250 1.6250 2.4888 2.4888 4.4056 4.4056 6.0610 6.0610 6.7587 6.7587 7.5879 7.5879 8.1046 8.1046 9.4910 9.4910 9.9469 9.9469 10.2516 10.2516 10.7207 10.7207 11.3866 11.3866 12.1865 12.1865 12.3625 12.3625 12.5592 12.5592 13.3677 13.3677 13.8190 13.8190 13.9443 13.9443 14.6540 14.6540 14.7199 14.7199 15.3722 15.3723 k = 0.2979 0.2979-0.0000 ( 4114 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9576 -24.9576 -24.9548 -24.9548 -24.1391 -24.1391 -24.1358 -24.1358 -24.1341 -24.1341 -24.1309 -24.1309 -0.3822 -0.3822 1.6682 1.6682 2.5209 2.5209 4.5663 4.5663 6.0098 6.0098 6.7119 6.7119 7.6125 7.6125 8.1499 8.1499 9.3383 9.3383 9.9467 9.9467 10.2560 10.2560 10.7322 10.7322 11.4811 11.4811 12.2231 12.2231 12.3504 12.3504 12.5565 12.5565 13.3501 13.3501 13.8083 13.8083 13.8428 13.8428 14.6009 14.6009 14.6571 14.6571 15.3348 15.3348 k = 0.2872 0.2872-0.0000 ( 4110 PWs) bands (ev): -50.4988 -50.4988 -50.4984 -50.4984 -24.9577 -24.9577 -24.9546 -24.9546 -24.1391 -24.1391 -24.1355 -24.1355 -24.1343 -24.1343 -24.1308 -24.1308 -0.4615 -0.4615 1.7136 1.7136 2.5536 2.5536 4.7282 4.7282 5.9612 5.9612 6.6651 6.6651 7.6397 7.6397 8.1989 8.1989 9.1774 9.1774 9.9528 9.9528 10.2606 10.2606 10.7254 10.7254 11.5749 11.5749 12.2582 12.2582 12.3467 12.3467 12.5649 12.5649 13.3320 13.3320 13.6810 13.6810 13.8642 13.8642 14.4785 14.4785 14.6553 14.6553 15.2985 15.2985 k = 0.2766 0.2766-0.0000 ( 4110 PWs) bands (ev): -50.4988 -50.4988 -50.4984 -50.4984 -24.9578 -24.9578 -24.9545 -24.9545 -24.1391 -24.1391 -24.1352 -24.1352 -24.1346 -24.1346 -24.1307 -24.1307 -0.5382 -0.5382 1.7610 1.7610 2.5866 2.5866 4.8913 4.8913 5.9157 5.9157 6.6186 6.6186 7.6692 7.6692 8.2513 8.2513 9.0135 9.0135 9.9601 9.9601 10.2652 10.2652 10.7006 10.7006 11.6678 11.6678 12.2910 12.2910 12.3517 12.3517 12.5834 12.5834 13.3135 13.3135 13.5595 13.5595 13.8873 13.8873 14.3516 14.3516 14.6482 14.6482 15.2648 15.2648 k = 0.2660 0.2660-0.0000 ( 4094 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9579 -24.9579 -24.9543 -24.9543 -24.1390 -24.1390 -24.1349 -24.1349 -24.1348 -24.1348 -24.1307 -24.1307 -0.6123 -0.6123 1.8103 1.8103 2.6197 2.6197 5.0552 5.0552 5.8735 5.8735 6.5727 6.5727 7.7009 7.7009 8.3072 8.3072 8.8490 8.8490 9.9667 9.9667 10.2699 10.2699 10.6591 10.6591 11.7592 11.7592 12.3198 12.3198 12.3655 12.3655 12.6101 12.6101 13.2949 13.2949 13.4467 13.4467 13.9110 13.9110 14.2210 14.2210 14.6330 14.6330 15.2332 15.2332 k = 0.2553 0.2553-0.0000 ( 4092 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9580 -24.9580 -24.9541 -24.9541 -24.1390 -24.1390 -24.1351 -24.1351 -24.1346 -24.1346 -24.1306 -24.1306 -0.6837 -0.6837 1.8615 1.8615 2.6528 2.6528 5.2199 5.2199 5.8350 5.8350 6.5276 6.5276 7.7347 7.7347 8.3662 8.3662 8.6855 8.6855 9.9713 9.9713 10.2745 10.2745 10.6029 10.6029 11.8488 11.8488 12.3422 12.3422 12.3873 12.3873 12.6436 12.6436 13.2760 13.2760 13.3453 13.3453 13.9348 13.9348 14.0873 14.0873 14.6058 14.6058 15.1963 15.1963 k = 0.2447 0.2447-0.0000 ( 4092 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9581 -24.9581 -24.9539 -24.9539 -24.1390 -24.1390 -24.1353 -24.1353 -24.1342 -24.1342 -24.1305 -24.1305 -0.7524 -0.7524 1.9146 1.9146 2.6855 2.6855 5.3850 5.3850 5.8006 5.8006 6.4834 6.4834 7.7702 7.7702 8.4274 8.4274 8.5246 8.5246 9.9737 9.9737 10.2785 10.2785 10.5347 10.5347 11.9361 11.9361 12.3533 12.3533 12.4171 12.4171 12.6829 12.6829 13.2515 13.2515 13.2637 13.2637 13.9465 13.9465 13.9634 13.9634 14.5621 14.5621 15.1582 15.1582 k = 0.2340 0.2340-0.0000 ( 4084 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9582 -24.9582 -24.9538 -24.9538 -24.1390 -24.1390 -24.1355 -24.1355 -24.1339 -24.1339 -24.1305 -24.1305 -0.8184 -0.8184 1.9694 1.9694 2.7177 2.7177 5.5502 5.5502 5.7705 5.7705 6.4405 6.4405 7.8075 7.8075 8.3623 8.3623 8.4958 8.4958 9.9735 9.9735 10.2809 10.2809 10.4578 10.4578 12.0207 12.0207 12.3475 12.3475 12.4556 12.4556 12.7280 12.7280 13.1863 13.1863 13.2402 13.2402 13.8114 13.8114 13.9841 13.9841 14.4981 14.4981 15.1264 15.1264 k = 0.2234 0.2234-0.0000 ( 4086 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9583 -24.9583 -24.9536 -24.9536 -24.1390 -24.1390 -24.1358 -24.1358 -24.1336 -24.1336 -24.1304 -24.1304 -0.8816 -0.8816 2.0257 2.0257 2.7491 2.7491 5.7149 5.7149 5.7449 5.7449 6.3988 6.3988 7.8463 7.8463 8.2070 8.2070 8.5637 8.5637 9.9709 9.9709 10.2764 10.2764 10.3794 10.3794 12.1020 12.1020 12.3213 12.3213 12.5021 12.5021 12.7790 12.7790 13.1349 13.1349 13.2217 13.2217 13.6712 13.6712 14.0083 14.0083 14.4121 14.4121 15.1036 15.1036 k = 0.2128 0.2128-0.0000 ( 4090 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9584 -24.9584 -24.9534 -24.9534 -24.1390 -24.1390 -24.1360 -24.1360 -24.1333 -24.1333 -24.1303 -24.1303 -0.9421 -0.9421 2.0836 2.0836 2.7796 2.7796 5.7239 5.7239 5.8786 5.8786 6.3585 6.3585 7.8861 7.8861 8.0558 8.0558 8.6351 8.6351 9.9658 9.9658 10.2381 10.2381 10.3287 10.3287 12.1784 12.1784 12.2762 12.2762 12.5556 12.5556 12.8358 12.8358 13.1006 13.1006 13.2038 13.2038 13.5298 13.5298 14.0325 14.0325 14.3055 14.3055 15.0902 15.0902 k = 0.2021 0.2021-0.0000 ( 4098 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9585 -24.9585 -24.9533 -24.9533 -24.1390 -24.1390 -24.1363 -24.1363 -24.1330 -24.1330 -24.1302 -24.1302 -0.9997 -0.9997 2.1428 2.1428 2.8088 2.8088 5.7078 5.7078 6.0400 6.0400 6.3197 6.3197 7.9012 7.9012 7.9359 7.9359 8.7094 8.7094 9.9578 9.9578 10.1545 10.1545 10.3195 10.3195 12.2014 12.2014 12.2633 12.2633 12.6150 12.6150 12.8976 12.8976 13.0799 13.0799 13.1862 13.1862 13.3881 13.3881 14.0564 14.0564 14.1817 14.1817 15.0848 15.0848 k = 0.1915 0.1915-0.0000 ( 4094 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9586 -24.9586 -24.9531 -24.9531 -24.1389 -24.1389 -24.1365 -24.1365 -24.1327 -24.1327 -24.1302 -24.1302 -1.0545 -1.0545 2.2032 2.2032 2.8367 2.8367 5.6965 5.6965 6.1975 6.1975 6.2826 6.2826 7.7680 7.7680 7.9727 7.9727 8.7867 8.7867 9.9443 9.9443 10.0610 10.0610 10.3211 10.3211 12.1286 12.1286 12.3292 12.3292 12.6784 12.6784 12.9635 12.9635 13.0686 13.0686 13.1686 13.1686 13.2477 13.2477 14.0446 14.0446 14.0806 14.0806 15.0855 15.0855 k = 0.1809 0.1809-0.0000 ( 4086 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9587 -24.9587 -24.9529 -24.9529 -24.1389 -24.1389 -24.1367 -24.1367 -24.1324 -24.1324 -24.1301 -24.1301 -1.1065 -1.1065 2.2645 2.2645 2.8631 2.8631 5.6901 5.6901 6.2468 6.2468 6.3484 6.3484 7.6395 7.6395 8.0160 8.0160 8.8667 8.8667 9.9065 9.9065 9.9861 9.9861 10.3251 10.3251 12.0438 12.0438 12.3934 12.3934 12.7429 12.7429 13.0276 13.0276 13.0643 13.0643 13.1081 13.1081 13.1563 13.1563 13.9013 13.9013 14.1033 14.1033 15.0908 15.0908 k = 0.1702 0.1702-0.0000 ( 4090 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9588 -24.9588 -24.9528 -24.9528 -24.1389 -24.1389 -24.1369 -24.1369 -24.1321 -24.1321 -24.1301 -24.1301 -1.1555 -1.1555 2.3267 2.3267 2.8877 2.8877 5.6884 5.6884 6.2131 6.2131 6.4866 6.4866 7.5266 7.5266 8.0603 8.0603 8.9493 8.9493 9.8201 9.8201 9.9577 9.9577 10.3300 10.3300 11.9538 11.9538 12.4507 12.4507 12.8030 12.8030 12.9631 12.9631 13.0583 13.0583 13.1141 13.1141 13.1395 13.1395 13.7575 13.7575 14.1258 14.1258 15.0992 15.0992 k = 0.1596 0.1596-0.0000 ( 4086 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9589 -24.9589 -24.9526 -24.9526 -24.1389 -24.1389 -24.1371 -24.1371 -24.1318 -24.1318 -24.1300 -24.1300 -1.2017 -1.2017 2.3893 2.3893 2.9106 2.9106 5.6915 5.6915 6.1812 6.1812 6.6019 6.6019 7.4400 7.4400 8.1052 8.1052 9.0345 9.0345 9.7171 9.7171 9.9458 9.9458 10.3351 10.3351 11.8616 11.8616 12.4945 12.4945 12.8247 12.8247 12.8646 12.8646 13.0549 13.0549 13.1249 13.1249 13.1887 13.1887 13.6250 13.6250 14.1476 14.1476 15.1098 15.1098 k = 0.1489 0.1489-0.0000 ( 4082 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9589 -24.9589 -24.9525 -24.9525 -24.1389 -24.1389 -24.1373 -24.1373 -24.1315 -24.1315 -24.1299 -24.1299 -1.2450 -1.2450 2.4522 2.4522 2.9317 2.9317 5.6989 5.6989 6.1511 6.1511 6.6759 6.6759 7.3980 7.3980 8.1505 8.1505 9.1220 9.1220 9.6116 9.6116 9.9385 9.9385 10.3403 10.3403 11.7691 11.7691 12.5024 12.5024 12.7394 12.7394 12.8718 12.8718 13.0515 13.0515 13.1114 13.1114 13.2661 13.2661 13.5240 13.5240 14.1686 14.1686 15.1217 15.1218 k = 0.1383 0.1383-0.0000 ( 4082 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9590 -24.9590 -24.9524 -24.9524 -24.1389 -24.1389 -24.1375 -24.1375 -24.1313 -24.1313 -24.1299 -24.1299 -1.2854 -1.2854 2.5149 2.5149 2.9508 2.9508 5.7105 5.7105 6.1229 6.1229 6.6915 6.6915 7.4176 7.4176 8.1957 8.1957 9.2111 9.2111 9.5074 9.5074 9.9341 9.9341 10.3455 10.3455 11.6777 11.6777 12.4367 12.4367 12.7155 12.7155 12.8320 12.8320 13.0468 13.0468 13.0990 13.0990 13.3435 13.3435 13.4815 13.4815 14.1887 14.1887 15.1344 15.1345 k = 0.1277 0.1277-0.0000 ( 4076 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9591 -24.9591 -24.9522 -24.9522 -24.1389 -24.1389 -24.1377 -24.1377 -24.1310 -24.1310 -24.1298 -24.1298 -1.3228 -1.3228 2.5771 2.5771 2.9681 2.9681 5.7258 5.7258 6.0967 6.0967 6.6533 6.6533 7.4938 7.4938 8.2405 8.2405 9.2969 9.2969 9.4106 9.4106 9.9330 9.9330 10.3506 10.3506 11.5886 11.5886 12.3209 12.3209 12.7318 12.7318 12.7380 12.7380 13.0403 13.0403 13.0876 13.0876 13.4194 13.4194 13.5047 13.5047 14.2079 14.2079 15.1474 15.1474 k = 0.1170 0.1170-0.0000 ( 4074 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9592 -24.9592 -24.9521 -24.9521 -24.1389 -24.1389 -24.1379 -24.1379 -24.1308 -24.1308 -24.1298 -24.1298 -1.3573 -1.3573 2.6384 2.6384 2.9835 2.9835 5.7442 5.7442 6.0724 6.0724 6.5832 6.5832 7.6045 7.6045 8.2847 8.2847 9.2884 9.2884 9.4134 9.4134 9.9358 9.9358 10.3554 10.3554 11.5026 11.5026 12.1900 12.1900 12.5907 12.5907 12.7723 12.7723 13.0330 13.0330 13.0772 13.0772 13.4971 13.4971 13.5696 13.5696 14.2260 14.2260 15.1604 15.1604 k = 0.1064 0.1064-0.0000 ( 4074 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9592 -24.9592 -24.9520 -24.9520 -24.1388 -24.1388 -24.1380 -24.1380 -24.1306 -24.1306 -24.1297 -24.1297 -1.3888 -1.3888 2.6981 2.6981 2.9971 2.9971 5.7653 5.7653 6.0502 6.0502 6.4993 6.4993 7.7309 7.7309 8.3277 8.3277 9.1975 9.1975 9.5047 9.5047 9.9434 9.9434 10.3600 10.3600 11.4206 11.4206 12.0552 12.0552 12.4282 12.4282 12.8078 12.8078 13.0253 13.0253 13.0679 13.0679 13.5806 13.5806 13.6519 13.6519 14.2430 14.2430 15.1732 15.1732 k = 0.0957 0.0957-0.0000 ( 4064 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9593 -24.9593 -24.9519 -24.9519 -24.1388 -24.1388 -24.1382 -24.1382 -24.1304 -24.1304 -24.1297 -24.1297 -1.4173 -1.4173 2.7557 2.7557 3.0089 3.0089 5.7884 5.7884 6.0300 6.0300 6.4114 6.4114 7.8624 7.8624 8.3692 8.3692 9.1068 9.1068 9.6027 9.6027 9.9570 9.9570 10.3644 10.3644 11.3433 11.3433 11.9197 11.9197 12.2556 12.2556 12.8415 12.8415 13.0176 13.0176 13.0594 13.0594 13.6685 13.6685 13.7414 13.7414 14.2589 14.2589 15.1853 15.1854 k = 0.0851 0.0851-0.0000 ( 4060 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9593 -24.9593 -24.9518 -24.9518 -24.1388 -24.1388 -24.1383 -24.1383 -24.1302 -24.1302 -24.1297 -24.1297 -1.4429 -1.4429 2.8105 2.8105 3.0192 3.0192 5.8125 5.8125 6.0119 6.0119 6.3252 6.3252 7.9924 7.9924 8.4087 8.4087 9.0211 9.0211 9.7032 9.7032 9.9779 9.9779 10.3684 10.3684 11.2714 11.2714 11.7852 11.7852 12.0789 12.0789 12.8721 12.8721 13.0101 13.0101 13.0519 13.0519 13.7583 13.7583 13.8339 13.8339 14.2737 14.2737 15.1967 15.1967 k = 0.0745 0.0745-0.0000 ( 4052 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9517 -24.9517 -24.1388 -24.1388 -24.1384 -24.1384 -24.1300 -24.1300 -24.1296 -24.1296 -1.4655 -1.4655 2.8618 2.8618 3.0278 3.0278 5.8370 5.8370 5.9958 5.9958 6.2438 6.2438 8.1166 8.1166 8.4455 8.4455 8.9420 8.9420 9.8052 9.8052 10.0074 10.0074 10.3721 10.3721 11.2056 11.2056 11.6526 11.6526 11.9015 11.9015 12.8990 12.8990 13.0031 13.0031 13.0454 13.0454 13.8475 13.8475 13.9272 13.9272 14.2874 14.2874 15.2071 15.2072 k = 0.0638 0.0638-0.0000 ( 4066 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9516 -24.9516 -24.1388 -24.1388 -24.1385 -24.1385 -24.1299 -24.1299 -24.1296 -24.1296 -1.4850 -1.4850 2.9088 2.9088 3.0351 3.0351 5.8608 5.8608 5.9819 5.9819 6.1694 6.1694 8.2314 8.2314 8.4791 8.4791 8.8706 8.8706 9.9079 9.9079 10.0469 10.0469 10.3754 10.3754 11.1466 11.1466 11.5229 11.5229 11.7262 11.7262 12.9221 12.9221 12.9966 12.9966 13.0401 13.0401 13.9343 13.9343 14.0188 14.0188 14.3002 14.3002 15.2165 15.2165 k = 0.0532 0.0532-0.0000 ( 4066 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9595 -24.9595 -24.9516 -24.9516 -24.1388 -24.1388 -24.1386 -24.1386 -24.1298 -24.1298 -24.1296 -24.1296 -1.5016 -1.5016 2.9506 2.9506 3.0410 3.0410 5.8830 5.8830 5.9701 5.9701 6.1036 6.1036 8.3337 8.3337 8.5089 8.5089 8.8079 8.8079 10.0103 10.0103 10.0974 10.0974 10.3783 10.3783 11.0950 11.0950 11.3971 11.3971 11.5556 11.5556 12.9411 12.9411 12.9910 12.9910 13.0360 13.0360 14.0164 14.0164 14.1064 14.1064 14.3123 14.3123 15.2246 15.2247 k = 0.0426 0.0426-0.0000 ( 4076 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1297 -24.1297 -24.1296 -24.1296 -1.5152 -1.5152 2.9863 2.9863 3.0457 3.0457 5.9026 5.9026 5.9605 5.9605 6.0480 6.0480 8.4207 8.4207 8.5343 8.5343 8.7551 8.7551 10.1100 10.1100 10.1594 10.1594 10.3809 10.3809 11.0514 11.0514 11.2769 11.2769 11.3930 11.3930 12.9557 12.9557 12.9863 12.9863 13.0334 13.0334 14.0906 14.0906 14.1874 14.1874 14.3244 14.3244 15.2313 15.2314 k = 0.0319 0.0319-0.0000 ( 4084 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1296 -24.1296 -24.1295 -24.1295 -1.5257 -1.5257 3.0152 3.0152 3.0493 3.0493 5.9186 5.9186 5.9529 5.9529 6.0038 6.0038 8.4903 8.4903 8.5547 8.5547 8.7129 8.7129 10.2027 10.2027 10.2319 10.2319 10.3833 10.3833 11.0161 11.0161 11.1650 11.1650 11.2434 11.2434 12.9662 12.9662 12.9825 12.9825 13.0323 13.0323 14.1527 14.1527 14.2585 14.2585 14.3372 14.3372 15.2366 15.2366 k = 0.0213 0.0213-0.0000 ( 4083 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1388 -24.1388 -24.1296 -24.1296 -24.1295 -24.1295 -1.5333 -1.5333 3.0364 3.0364 3.0518 3.0518 5.9298 5.9298 5.9469 5.9469 5.9730 5.9730 8.5408 8.5408 8.5696 8.5696 8.6822 8.6822 10.2818 10.2818 10.3090 10.3090 10.3863 10.3863 10.9888 10.9888 11.0661 11.0661 11.1168 11.1168 12.9729 12.9729 12.9798 12.9798 13.0323 13.0323 14.1981 14.1981 14.3156 14.3156 14.3506 14.3506 15.2404 15.2405 k = 0.0106 0.0106-0.0000 ( 4069 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5378 -1.5378 3.0493 3.0493 3.0532 3.0532 5.9353 5.9353 5.9404 5.9404 5.9586 5.9586 8.5715 8.5715 8.5787 8.5787 8.6636 8.6636 10.3381 10.3381 10.3724 10.3724 10.3919 10.3919 10.9674 10.9674 10.9885 10.9885 11.0339 11.0339 12.9765 12.9765 12.9782 12.9782 13.0327 13.0327 14.2245 14.2245 14.3535 14.3535 14.3622 14.3622 15.2424 15.2430 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5393 -1.5393 3.0537 3.0537 3.0537 3.0537 5.9365 5.9365 5.9365 5.9365 5.9561 5.9561 8.5817 8.5817 8.5817 8.5817 8.6574 8.6574 10.3564 10.3564 10.3982 10.3982 10.3982 10.3982 10.9558 10.9558 10.9558 10.9558 11.0088 11.0088 12.9776 12.9776 12.9776 12.9776 13.0329 13.0329 14.2329 14.2329 14.3669 14.3669 14.3669 14.3669 15.2427 15.2427 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5393 -1.5393 3.0537 3.0537 3.0537 3.0537 5.9365 5.9365 5.9365 5.9365 5.9561 5.9561 8.5817 8.5817 8.5817 8.5817 8.6574 8.6574 10.3564 10.3564 10.3982 10.3982 10.3982 10.3982 10.9558 10.9558 10.9558 10.9558 11.0088 11.0088 12.9776 12.9776 12.9776 12.9776 13.0329 13.0329 14.2329 14.2329 14.3669 14.3669 14.3669 14.3669 15.2427 15.2427 k = 0.0086 0.0086 0.0086 ( 4070 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9596 -24.9596 -24.9514 -24.9514 -24.1388 -24.1388 -24.1388 -24.1388 -24.1295 -24.1295 -24.1295 -24.1295 -1.5378 -1.5378 3.0513 3.0513 3.0513 3.0513 5.9343 5.9343 5.9413 5.9413 5.9586 5.9586 8.5749 8.5749 8.5754 8.5754 8.6635 8.6635 10.3386 10.3386 10.3732 10.3732 10.3916 10.3916 10.9647 10.9647 10.9901 10.9901 11.0339 11.0339 12.9765 12.9765 12.9782 12.9782 13.0327 13.0327 14.2248 14.2248 14.3568 14.3568 14.3589 14.3589 15.2428 15.2428 k = 0.0172 0.0172 0.0172 ( 4085 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1388 -24.1388 -24.1296 -24.1296 -24.1295 -24.1295 -1.5334 -1.5334 3.0442 3.0442 3.0442 3.0442 5.9235 5.9235 5.9555 5.9555 5.9704 5.9704 8.5546 8.5546 8.5563 8.5563 8.6817 8.6817 10.2846 10.2846 10.3127 10.3127 10.3845 10.3845 10.9746 10.9746 11.0785 11.0785 11.1134 11.1134 12.9729 12.9729 12.9798 12.9798 13.0323 13.0323 14.2013 14.2013 14.3279 14.3279 14.3355 14.3355 15.2414 15.2415 k = 0.0259 0.0259 0.0259 ( 4076 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1296 -24.1296 -24.1295 -24.1295 -1.5259 -1.5259 3.0325 3.0325 3.0326 3.0326 5.9030 5.9030 5.9790 5.9790 5.9928 5.9928 8.5207 8.5207 8.5243 8.5243 8.7116 8.7116 10.2131 10.2131 10.2392 10.2392 10.3791 10.3791 10.9830 10.9830 11.1985 11.1985 11.2294 11.2294 12.9662 12.9662 12.9825 12.9825 13.0323 13.0323 14.1642 14.1642 14.2840 14.2840 14.2985 14.2985 15.2385 15.2387 k = 0.0345 0.0345 0.0345 ( 4070 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9515 -24.9515 -24.1388 -24.1388 -24.1387 -24.1387 -24.1297 -24.1297 -24.1295 -24.1295 -1.5155 -1.5155 3.0165 3.0165 3.0166 3.0166 5.8741 5.8741 6.0115 6.0115 6.0247 6.0247 8.4732 8.4732 8.4792 8.4792 8.7526 8.7526 10.1397 10.1397 10.1663 10.1663 10.3729 10.3729 10.9926 10.9926 11.3365 11.3365 11.3656 11.3656 12.9556 12.9556 12.9864 12.9864 13.0335 13.0335 14.1162 14.1162 14.2292 14.2292 14.2502 14.2502 15.2343 15.2345 k = 0.0431 0.0431 0.0431 ( 4064 PWs) bands (ev): -50.4991 -50.4991 -50.4980 -50.4980 -24.9595 -24.9595 -24.9516 -24.9516 -24.1388 -24.1388 -24.1386 -24.1386 -24.1298 -24.1298 -24.1296 -24.1296 -1.5022 -1.5022 2.9965 2.9965 2.9967 2.9967 5.8381 5.8381 6.0525 6.0525 6.0652 6.0652 8.4123 8.4123 8.4212 8.4212 8.8037 8.8037 10.0723 10.0723 10.1006 10.1006 10.3653 10.3653 11.0044 11.0044 11.4855 11.4855 11.5139 11.5139 12.9404 12.9404 12.9914 12.9914 13.0362 13.0362 14.0600 14.0600 14.1671 14.1671 14.1925 14.1925 15.2291 15.2291 k = 0.0517 0.0517 0.0517 ( 4073 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9516 -24.9516 -24.1388 -24.1388 -24.1385 -24.1385 -24.1299 -24.1299 -24.1296 -24.1296 -1.4858 -1.4858 2.9729 2.9729 2.9732 2.9732 5.7959 5.7959 6.1015 6.1015 6.1137 6.1137 8.3389 8.3389 8.3507 8.3507 8.8642 8.8642 10.0146 10.0146 10.0451 10.0451 10.3557 10.3557 11.0184 11.0184 11.6419 11.6419 11.6702 11.6702 12.9203 12.9203 12.9974 12.9974 13.0406 13.0406 13.9980 13.9980 14.1005 14.1005 14.1273 14.1273 15.2226 15.2226 k = 0.0603 0.0603 0.0603 ( 4061 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9517 -24.9517 -24.1388 -24.1388 -24.1384 -24.1384 -24.1301 -24.1301 -24.1296 -24.1296 -1.4666 -1.4666 2.9462 2.9462 2.9466 2.9466 5.7483 5.7483 6.1578 6.1578 6.1696 6.1696 8.2541 8.2541 8.2687 8.2687 8.9330 8.9330 9.9681 9.9681 10.0009 10.0009 10.3437 10.3437 11.0347 11.0347 11.8034 11.8034 11.8319 11.8319 12.8953 12.8953 13.0046 13.0046 13.0465 13.0465 13.9322 13.9322 14.0314 14.0314 14.0566 14.0566 15.2150 15.2155 k = 0.0690 0.0690 0.0690 ( 4064 PWs) bands (ev): -50.4991 -50.4991 -50.4981 -50.4981 -24.9594 -24.9594 -24.9518 -24.9518 -24.1389 -24.1389 -24.1383 -24.1383 -24.1302 -24.1302 -24.1296 -24.1296 -1.4443 -1.4443 2.9168 2.9168 2.9173 2.9173 5.6964 5.6964 6.2208 6.2208 6.2320 6.2320 8.1595 8.1595 8.1769 8.1769 9.0091 9.0091 9.9329 9.9329 9.9678 9.9678 10.3291 10.3291 11.0533 11.0533 11.9684 11.9684 11.9974 11.9974 12.8650 12.8650 13.0131 13.0131 13.0539 13.0539 13.8641 13.8641 13.9612 13.9612 13.9821 13.9821 15.2069 15.2074 k = 0.0776 0.0776 0.0776 ( 4076 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9593 -24.9593 -24.9519 -24.9519 -24.1389 -24.1389 -24.1381 -24.1381 -24.1304 -24.1304 -24.1297 -24.1297 -1.4191 -1.4191 2.8852 2.8852 2.8858 2.8858 5.6408 5.6408 6.2896 6.2896 6.3001 6.3001 8.0571 8.0571 8.0769 8.0769 9.0917 9.0917 9.9086 9.9086 9.9454 9.9454 10.3113 10.3113 11.0741 11.0741 12.1354 12.1354 12.1654 12.1654 12.8293 12.8293 13.0228 13.0228 13.0628 13.0628 13.7948 13.7948 13.8912 13.8912 13.9057 13.9057 15.1973 15.1982 k = 0.0862 0.0862 0.0862 ( 4067 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9592 -24.9592 -24.9520 -24.9520 -24.1389 -24.1389 -24.1380 -24.1380 -24.1306 -24.1306 -24.1297 -24.1297 -1.3910 -1.3910 2.8518 2.8518 2.8525 2.8525 5.5825 5.5825 6.3631 6.3631 6.3727 6.3727 7.9491 7.9491 7.9712 7.9712 9.1797 9.1797 9.8944 9.8944 9.9326 9.9326 10.2901 10.2901 11.0970 11.0970 12.3032 12.3032 12.3344 12.3344 12.7880 12.7880 13.0341 13.0341 13.0731 13.0731 13.7254 13.7254 13.8222 13.8222 13.8291 13.8291 15.1872 15.1878 k = 0.0948 0.0948 0.0948 ( 4073 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9592 -24.9592 -24.9521 -24.9521 -24.1389 -24.1389 -24.1378 -24.1378 -24.1308 -24.1308 -24.1297 -24.1297 -1.3600 -1.3600 2.8171 2.8171 2.8179 2.8179 5.5219 5.5219 6.4397 6.4397 6.4484 6.4484 7.8380 7.8380 7.8623 7.8623 9.2722 9.2722 9.8893 9.8893 9.9285 9.9285 10.2650 10.2650 11.1219 11.1219 12.4700 12.4700 12.5030 12.5030 12.7408 12.7408 13.0476 13.0476 13.0853 13.0853 13.6567 13.6567 13.7538 13.7538 13.7551 13.7551 15.1757 15.1765 k = 0.1034 0.1034 0.1034 ( 4073 PWs) bands (ev): -50.4990 -50.4990 -50.4981 -50.4981 -24.9591 -24.9591 -24.9522 -24.9522 -24.1389 -24.1389 -24.1377 -24.1377 -24.1310 -24.1310 -24.1298 -24.1298 -1.3260 -1.3260 2.7814 2.7814 2.7823 2.7823 5.4599 5.4599 6.5175 6.5175 6.5248 6.5248 7.7269 7.7269 7.7534 7.7534 9.3685 9.3685 9.8923 9.8923 9.9319 9.9319 10.2355 10.2355 11.1485 11.1485 12.6329 12.6329 12.6679 12.6679 12.6884 12.6884 13.0649 13.0649 13.1003 13.1003 13.5901 13.5901 13.6814 13.6814 13.6912 13.6912 15.1642 15.1642 k = 0.1121 0.1121 0.1121 ( 4088 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9590 -24.9590 -24.9523 -24.9523 -24.1390 -24.1390 -24.1375 -24.1375 -24.1313 -24.1313 -24.1298 -24.1298 -1.2891 -1.2891 2.7450 2.7450 2.7460 2.7460 5.3968 5.3968 6.5929 6.5929 6.5985 6.5985 7.6202 7.6202 7.6489 7.6489 9.4675 9.4675 9.9026 9.9026 9.9421 9.9421 10.2014 10.2014 11.1765 11.1765 12.6275 12.6275 12.7854 12.7854 12.8268 12.8268 13.0900 13.0900 13.1207 13.1207 13.5271 13.5271 13.6137 13.6137 13.6324 13.6324 15.1522 15.1522 k = 0.1207 0.1207 0.1207 ( 4085 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9590 -24.9590 -24.9525 -24.9525 -24.1390 -24.1390 -24.1373 -24.1373 -24.1315 -24.1315 -24.1299 -24.1299 -1.2493 -1.2493 2.7084 2.7084 2.7095 2.7095 5.3331 5.3331 6.6599 6.6599 6.6634 6.6634 7.5244 7.5244 7.5556 7.5556 9.5685 9.5685 9.9195 9.9195 9.9584 9.9584 10.1622 10.1622 11.2055 11.2055 12.5615 12.5615 12.9118 12.9118 12.9620 12.9620 13.1337 13.1337 13.1553 13.1553 13.4707 13.4707 13.5543 13.5543 13.5832 13.5832 15.1401 15.1403 k = 0.1293 0.1293 0.1293 ( 4085 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9589 -24.9589 -24.9526 -24.9526 -24.1390 -24.1390 -24.1371 -24.1371 -24.1318 -24.1318 -24.1299 -24.1299 -1.2067 -1.2067 2.6719 2.6719 2.6730 2.6730 5.2693 5.2693 6.7081 6.7081 6.7096 6.7096 7.4504 7.4504 7.4838 7.4838 9.6701 9.6701 9.9427 9.9427 9.9799 9.9799 10.1181 10.1181 11.2349 11.2349 12.4894 12.4894 12.9903 12.9903 13.0466 13.0466 13.2055 13.2055 13.2140 13.2140 13.4258 13.4258 13.5171 13.5171 13.5558 13.5558 15.1282 15.1283 k = 0.1379 0.1379 0.1379 ( 4097 PWs) bands (ev): -50.4990 -50.4990 -50.4982 -50.4982 -24.9588 -24.9588 -24.9528 -24.9528 -24.1390 -24.1390 -24.1369 -24.1369 -24.1321 -24.1321 -24.1300 -24.1300 -1.1611 -1.1611 2.6356 2.6356 2.6368 2.6368 5.2056 5.2056 6.7231 6.7231 6.7236 6.7236 7.4132 7.4132 7.4476 7.4476 9.7701 9.7701 9.9721 9.9721 10.0063 10.0063 10.0696 10.0696 11.2638 11.2638 12.4120 12.4120 13.0282 13.0282 13.0834 13.0834 13.2506 13.2506 13.2668 13.2668 13.3876 13.3876 13.5503 13.5503 13.5805 13.5805 15.1168 15.1169 k = 0.1466 0.1466 0.1466 ( 4097 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9587 -24.9587 -24.9529 -24.9529 -24.1390 -24.1390 -24.1367 -24.1367 -24.1324 -24.1324 -24.1300 -24.1300 -1.1128 -1.1128 2.5998 2.5998 2.6011 2.6011 5.1424 5.1424 6.6942 6.6942 6.6960 6.6960 7.4235 7.4235 7.4567 7.4567 9.8631 9.8631 10.0011 10.0011 10.0276 10.0276 10.0370 10.0370 11.2906 11.2906 12.3307 12.3307 13.0476 13.0476 13.0986 13.0986 13.2383 13.2383 13.2754 13.2754 13.3451 13.3451 13.6656 13.6656 13.6772 13.6772 15.1066 15.1068 k = 0.1552 0.1552 0.1552 ( 4097 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9587 -24.9587 -24.9531 -24.9531 -24.1390 -24.1390 -24.1365 -24.1365 -24.1327 -24.1327 -24.1301 -24.1301 -1.0615 -1.0615 2.5648 2.5648 2.5662 2.5662 5.0799 5.0799 6.6261 6.6261 6.6301 6.6301 7.4771 7.4771 7.5077 7.5077 9.9131 9.9131 9.9881 9.9881 10.0686 10.0686 10.0718 10.0718 11.3131 11.3131 12.2480 12.2480 13.0567 13.0567 13.0986 13.0986 13.2152 13.2152 13.2534 13.2534 13.3035 13.3035 13.8125 13.8125 13.8143 13.8143 15.0984 15.0984 k = 0.1638 0.1638 0.1638 ( 4085 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9586 -24.9586 -24.9532 -24.9532 -24.1391 -24.1391 -24.1363 -24.1363 -24.1329 -24.1329 -24.1302 -24.1302 -1.0075 -1.0075 2.5308 2.5308 2.5322 2.5322 5.0182 5.0182 6.5317 6.5317 6.5382 6.5382 7.5609 7.5609 7.5890 7.5890 9.8658 9.8658 10.0355 10.0355 10.1103 10.1103 10.1432 10.1432 11.3279 11.3279 12.1679 12.1679 13.0560 13.0560 13.0809 13.0809 13.2024 13.2024 13.2265 13.2265 13.2676 13.2676 13.9645 13.9645 13.9670 13.9670 15.0934 15.0935 k = 0.1724 0.1724 0.1724 ( 4091 PWs) bands (ev): -50.4989 -50.4989 -50.4982 -50.4982 -24.9585 -24.9585 -24.9534 -24.9534 -24.1391 -24.1391 -24.1361 -24.1361 -24.1332 -24.1332 -24.1303 -24.1303 -0.9506 -0.9506 2.4978 2.4978 2.4993 2.4993 4.9577 4.9577 6.4224 6.4224 6.4307 6.4307 7.6640 7.6640 7.6900 7.6900 9.7952 9.7952 10.0869 10.0869 10.1521 10.1521 10.2327 10.2327 11.3299 11.3299 12.0964 12.0964 13.0430 13.0430 13.0484 13.0484 13.2004 13.2004 13.2066 13.2066 13.2400 13.2400 14.1163 14.1163 14.1203 14.1203 15.0935 15.0935 k = 0.1810 0.1810 0.1810 ( 4091 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9584 -24.9584 -24.9536 -24.9536 -24.1391 -24.1391 -24.1359 -24.1359 -24.1335 -24.1335 -24.1303 -24.1303 -0.8910 -0.8910 2.4661 2.4661 2.4677 2.4677 4.8984 4.8984 6.3048 6.3048 6.3144 6.3144 7.7795 7.7795 7.8038 7.8038 9.7170 9.7170 10.1366 10.1366 10.1972 10.1972 10.3257 10.3257 11.3131 11.3131 12.0410 12.0410 13.0089 13.0089 13.0177 13.0177 13.1974 13.1974 13.1987 13.1987 13.2260 13.2260 14.2632 14.2632 14.2671 14.2671 15.1017 15.1017 k = 0.1897 0.1897 0.1897 ( 4091 PWs) bands (ev): -50.4989 -50.4989 -50.4983 -50.4983 -24.9583 -24.9583 -24.9537 -24.9537 -24.1391 -24.1391 -24.1357 -24.1357 -24.1338 -24.1338 -24.1304 -24.1304 -0.8286 -0.8286 2.4358 2.4358 2.4374 2.4374 4.8404 4.8404 6.1828 6.1828 6.1934 6.1934 7.9038 7.9038 7.9267 7.9267 9.6331 9.6331 10.1870 10.1870 10.2453 10.2453 10.4152 10.4152 11.2738 11.2738 12.0085 12.0085 12.9670 12.9670 12.9837 12.9837 13.1907 13.1907 13.1966 13.1966 13.2282 13.2282 14.3991 14.3991 14.4013 14.4013 15.1230 15.1251 k = 0.1983 0.1983 0.1983 ( 4091 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9582 -24.9582 -24.9539 -24.9539 -24.1391 -24.1391 -24.1355 -24.1355 -24.1341 -24.1341 -24.1305 -24.1305 -0.7634 -0.7634 2.4071 2.4071 2.4087 2.4087 4.7838 4.7838 6.0586 6.0586 6.0698 6.0698 8.0345 8.0345 8.0564 8.0564 9.5444 9.5444 10.2389 10.2389 10.2963 10.2963 10.4951 10.4951 11.2149 11.2149 12.0012 12.0012 12.9248 12.9248 12.9457 12.9457 13.1846 13.1846 13.2004 13.2004 13.2365 13.2365 14.5159 14.5159 14.5167 14.5167 15.1624 15.1626 k = 0.2069 0.2069 0.2069 ( 4091 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9581 -24.9581 -24.9541 -24.9541 -24.1391 -24.1391 -24.1353 -24.1353 -24.1344 -24.1344 -24.1306 -24.1306 -0.6956 -0.6956 2.3799 2.3799 2.3816 2.3816 4.7286 4.7286 5.9335 5.9335 5.9452 5.9452 8.1704 8.1704 8.1913 8.1913 9.4515 9.4515 10.2920 10.2920 10.3499 10.3499 10.5554 10.5554 11.1496 11.1496 12.0164 12.0164 12.8832 12.8832 12.9063 12.9063 13.1840 13.1840 13.2063 13.2063 13.2459 13.2459 14.6042 14.6042 14.6088 14.6088 15.2246 15.2246 k = 0.2155 0.2155 0.2155 ( 4094 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9581 -24.9581 -24.9542 -24.9542 -24.1391 -24.1391 -24.1351 -24.1351 -24.1347 -24.1347 -24.1307 -24.1307 -0.6251 -0.6251 2.3544 2.3544 2.3562 2.3562 4.6750 4.6750 5.8083 5.8083 5.8203 5.8203 8.3106 8.3106 8.3306 8.3306 9.3551 9.3551 10.3451 10.3451 10.4060 10.4060 10.5789 10.5789 11.1017 11.1017 12.0490 12.0490 12.8430 12.8430 12.8672 12.8672 13.1890 13.1890 13.2129 13.2129 13.2553 13.2553 14.6642 14.6642 14.6726 14.6726 15.3137 15.3138 k = 0.2241 0.2241 0.2241 ( 4100 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9580 -24.9580 -24.9544 -24.9544 -24.1391 -24.1391 -24.1350 -24.1350 -24.1349 -24.1349 -24.1308 -24.1308 -0.5519 -0.5519 2.3308 2.3308 2.3326 2.3326 4.6230 4.6230 5.6836 5.6836 5.6958 5.6958 8.4543 8.4543 8.4734 8.4734 9.2558 9.2558 10.3916 10.3916 10.4646 10.4646 10.5529 10.5529 11.0954 11.0954 12.0946 12.0946 12.8044 12.8044 12.8291 12.8291 13.1992 13.1992 13.2193 13.2193 13.2640 13.2640 14.7009 14.7009 14.7119 14.7119 15.4256 15.4256 k = 0.2328 0.2328 0.2328 ( 4100 PWs) bands (ev): -50.4988 -50.4988 -50.4983 -50.4983 -24.9579 -24.9579 -24.9546 -24.9546 -24.1391 -24.1391 -24.1353 -24.1353 -24.1347 -24.1347 -24.1309 -24.1309 -0.4760 -0.4760 2.3090 2.3090 2.3109 2.3109 4.5724 4.5724 5.5599 5.5599 5.5721 5.5721 8.6012 8.6012 8.6191 8.6191 9.1542 9.1542 10.3876 10.3876 10.5245 10.5245 10.5253 10.5253 11.1312 11.1312 12.1500 12.1500 12.7677 12.7677 12.7926 12.7926 13.2141 13.2141 13.2252 13.2252 13.2717 13.2717 14.7217 14.7217 14.7343 14.7343 15.5519 15.5519 k = 0.2414 0.2414 0.2414 ( 4106 PWs) bands (ev): -50.4988 -50.4988 -50.4984 -50.4984 -24.9578 -24.9578 -24.9547 -24.9547 -24.1391 -24.1391 -24.1355 -24.1355 -24.1346 -24.1346 -24.1310 -24.1310 -0.3976 -0.3976 2.2891 2.2891 2.2911 2.2911 4.5234 4.5234 5.4374 5.4374 5.4496 5.4496 8.7508 8.7508 8.7667 8.7667 9.0517 9.0517 10.2851 10.2851 10.5615 10.5615 10.5882 10.5882 11.1918 11.1918 12.2130 12.2130 12.7330 12.7330 12.7580 12.7580 13.2301 13.2301 13.2329 13.2329 13.2783 13.2783 14.7328 14.7328 14.7463 14.7463 15.6851 15.6851 k = 0.2500 0.2500 0.2500 ( 4121 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9578 -24.9578 -24.9549 -24.9549 -24.1391 -24.1391 -24.1358 -24.1358 -24.1344 -24.1344 -24.1312 -24.1312 -0.3167 -0.3167 2.2713 2.2713 2.2733 2.2733 4.4758 4.4758 5.3164 5.3164 5.3285 5.3285 8.9004 8.9004 8.9027 8.9027 8.9639 8.9639 10.1431 10.1431 10.6204 10.6204 10.6529 10.6529 11.2638 11.2638 12.2823 12.2823 12.7006 12.7006 12.7255 12.7255 13.2337 13.2337 13.2548 13.2548 13.2837 13.2837 14.7385 14.7385 14.7524 14.7524 15.8192 15.8192 k = 0.2586 0.2586 0.2586 ( 4115 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9577 -24.9577 -24.9550 -24.9550 -24.1390 -24.1390 -24.1360 -24.1360 -24.1343 -24.1343 -24.1313 -24.1313 -0.2332 -0.2332 2.2555 2.2555 2.2576 2.2576 4.4297 4.4297 5.1970 5.1970 5.2090 5.2090 8.8330 8.8330 9.0567 9.0567 9.0783 9.0783 9.9859 9.9859 10.6853 10.6853 10.7195 10.7195 11.3404 11.3404 12.3569 12.3569 12.6706 12.6706 12.6953 12.6953 13.2360 13.2360 13.2775 13.2775 13.2896 13.2896 14.7415 14.7415 14.7553 14.7553 15.9494 15.9494 k = 0.2672 0.2672 0.2672 ( 4110 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9576 -24.9576 -24.9552 -24.9552 -24.1390 -24.1390 -24.1363 -24.1363 -24.1342 -24.1342 -24.1314 -24.1314 -0.1472 -0.1472 2.2418 2.2418 2.2439 2.2439 4.3849 4.3849 5.0793 5.0793 5.0912 5.0912 8.7280 8.7280 9.2124 9.2124 9.2314 9.2314 9.8207 9.8207 10.7532 10.7532 10.7876 10.7876 11.4182 11.4182 12.4361 12.4361 12.6431 12.6431 12.6674 12.6674 13.2368 13.2368 13.2865 13.2865 13.3094 13.3094 14.7434 14.7434 14.7567 14.7567 16.0708 16.0708 k = 0.2759 0.2759 0.2759 ( 4116 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9576 -24.9576 -24.9554 -24.9554 -24.1390 -24.1390 -24.1365 -24.1365 -24.1341 -24.1341 -24.1316 -24.1316 -0.0588 -0.0588 2.2303 2.2303 2.2325 2.2325 4.3412 4.3412 4.9635 4.9635 4.9753 4.9753 8.6216 8.6216 9.3695 9.3695 9.3872 9.3872 9.6512 9.6512 10.8232 10.8232 10.8572 10.8572 11.4956 11.4956 12.5191 12.5191 12.6187 12.6187 12.6421 12.6421 13.2359 13.2359 13.2873 13.2873 13.3370 13.3370 14.7452 14.7452 14.7579 14.7579 16.1790 16.1791 k = 0.2845 0.2845 0.2845 ( 4110 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9575 -24.9575 -24.9555 -24.9555 -24.1390 -24.1390 -24.1367 -24.1367 -24.1340 -24.1340 -24.1317 -24.1317 0.0319 0.0319 2.2209 2.2209 2.2232 2.2232 4.2987 4.2987 4.8497 4.8497 4.8613 4.8613 8.5152 8.5152 9.4783 9.4783 9.5276 9.5276 9.5455 9.5455 10.8948 10.8948 10.9280 10.9280 11.5718 11.5718 12.5864 12.5864 12.6166 12.6166 12.6193 12.6193 13.2335 13.2335 13.2857 13.2857 13.3659 13.3659 14.7478 14.7478 14.7594 14.7594 16.2700 16.2701 k = 0.2931 0.2931 0.2931 ( 4110 PWs) bands (ev): -50.4987 -50.4987 -50.4984 -50.4984 -24.9574 -24.9574 -24.9556 -24.9556 -24.1389 -24.1389 -24.1368 -24.1368 -24.1339 -24.1339 -24.1318 -24.1318 0.1250 0.1250 2.2138 2.2138 2.2161 2.2161 4.2571 4.2571 4.7380 4.7380 4.7494 4.7494 8.4093 8.4093 9.3063 9.3063 9.6866 9.6866 9.7029 9.7029 10.9676 10.9676 10.9998 10.9998 11.6463 11.6463 12.5727 12.5727 12.5993 12.5993 12.7019 12.7019 13.2294 13.2294 13.2823 13.2823 13.3948 13.3948 14.7515 14.7515 14.7618 14.7618 16.3417 16.3418 k = 0.3017 0.3017 0.3017 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4984 -50.4984 -24.9574 -24.9574 -24.9558 -24.9558 -24.1389 -24.1389 -24.1370 -24.1370 -24.1338 -24.1338 -24.1320 -24.1320 0.2203 0.2203 2.2089 2.2089 2.2113 2.2113 4.2163 4.2163 4.6284 4.6284 4.6396 4.6396 8.3043 8.3043 9.1341 9.1341 9.8459 9.8459 9.8613 9.8613 11.0415 11.0415 11.0724 11.0724 11.7189 11.7189 12.5560 12.5560 12.5821 12.5821 12.7966 12.7966 13.2238 13.2238 13.2772 13.2772 13.4232 13.4232 14.7567 14.7567 14.7654 14.7654 16.3951 16.3954 k = 0.3103 0.3103 0.3103 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9573 -24.9573 -24.9559 -24.9559 -24.1388 -24.1388 -24.1372 -24.1372 -24.1338 -24.1338 -24.1321 -24.1321 0.3179 0.3179 2.2063 2.2063 2.2088 2.2088 4.1759 4.1759 4.5209 4.5209 4.5319 4.5319 8.2006 8.2006 8.9632 8.9632 10.0052 10.0052 10.0196 10.0196 11.1160 11.1160 11.1454 11.1454 11.7895 11.7895 12.5417 12.5417 12.5679 12.5679 12.8951 12.8951 13.2167 13.2167 13.2706 13.2706 13.4502 13.4502 14.7636 14.7636 14.7705 14.7705 16.4333 16.4336 k = 0.3190 0.3190 0.3190 ( 4104 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9573 -24.9573 -24.9560 -24.9560 -24.1387 -24.1387 -24.1373 -24.1373 -24.1337 -24.1337 -24.1323 -24.1323 0.4176 0.4176 2.2060 2.2060 2.2086 2.2086 4.1359 4.1359 4.4156 4.4156 4.4264 4.4264 8.0986 8.0986 8.7945 8.7945 10.1640 10.1640 10.1775 10.1775 11.1908 11.1908 11.2185 11.2185 11.8584 11.8584 12.5304 12.5304 12.5567 12.5567 12.9970 12.9970 13.2084 13.2084 13.2626 13.2626 13.4751 13.4751 14.7724 14.7724 14.7771 14.7771 16.4601 16.4607 k = 0.3276 0.3276 0.3276 ( 4107 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9573 -24.9573 -24.9561 -24.9561 -24.1387 -24.1387 -24.1374 -24.1374 -24.1337 -24.1337 -24.1325 -24.1325 0.5193 0.5193 2.2081 2.2081 2.2108 2.2108 4.0959 4.0959 4.3127 4.3127 4.3232 4.3232 7.9983 7.9983 8.6287 8.6287 10.3218 10.3218 10.3343 10.3343 11.2655 11.2655 11.2915 11.2915 11.9254 11.9254 12.5221 12.5221 12.5488 12.5488 13.1018 13.1018 13.1990 13.1990 13.2536 13.2536 13.4975 13.4975 14.7830 14.7830 14.7854 14.7854 16.4769 16.4781 k = 0.3362 0.3362 0.3362 ( 4107 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9572 -24.9572 -24.9563 -24.9563 -24.1386 -24.1386 -24.1375 -24.1375 -24.1337 -24.1337 -24.1326 -24.1326 0.6230 0.6230 2.2125 2.2125 2.2153 2.2153 4.0556 4.0556 4.2120 4.2120 4.2222 4.2222 7.9003 7.9003 8.4665 8.4665 10.4781 10.4781 10.4896 10.4896 11.3398 11.3398 11.3638 11.3638 11.9907 11.9907 12.5172 12.5172 12.5444 12.5444 13.1888 13.1888 13.2075 13.2075 13.2459 13.2459 13.5167 13.5167 14.7954 14.7954 14.7956 14.7956 16.4889 16.4908 k = 0.3448 0.3448 0.3448 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9572 -24.9572 -24.9564 -24.9564 -24.1385 -24.1385 -24.1376 -24.1376 -24.1337 -24.1337 -24.1328 -24.1328 0.7286 0.7286 2.2193 2.2193 2.2221 2.2221 4.0147 4.0147 4.1136 4.1136 4.1236 4.1236 7.8046 7.8046 8.3085 8.3085 10.6322 10.6322 10.6426 10.6426 11.4131 11.4131 11.4350 11.4350 12.0546 12.0546 12.5158 12.5158 12.5436 12.5436 13.1781 13.1781 13.2305 13.2305 13.3232 13.3232 13.5322 13.5322 14.8073 14.8073 14.8102 14.8102 16.4958 16.4977 k = 0.3534 0.3534 0.3534 ( 4098 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9572 -24.9572 -24.9565 -24.9565 -24.1384 -24.1384 -24.1376 -24.1376 -24.1338 -24.1338 -24.1330 -24.1330 0.8359 0.8359 2.2284 2.2284 2.2314 2.2314 3.9727 3.9727 4.0176 4.0176 4.0274 4.0274 7.7116 7.7116 8.1555 8.1555 10.7835 10.7835 10.7926 10.7926 11.4849 11.4849 11.5047 11.5047 12.1171 12.1171 12.5182 12.5182 12.5468 12.5468 13.1672 13.1672 13.2201 13.2201 13.4363 13.4363 13.5436 13.5436 14.8210 14.8210 14.8269 14.8269 16.4991 16.5037 k = 0.3621 0.3621 0.3621 ( 4095 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9565 -24.9565 -24.1383 -24.1383 -24.1376 -24.1376 -24.1338 -24.1338 -24.1331 -24.1331 0.9450 0.9450 2.2400 2.2400 2.2431 2.2431 3.9240 3.9240 3.9291 3.9291 3.9339 3.9339 7.6216 7.6216 8.0081 8.0081 10.9310 10.9310 10.9389 10.9389 11.5547 11.5547 11.5721 11.5721 12.1785 12.1785 12.5246 12.5246 12.5541 12.5541 13.1565 13.1565 13.2093 13.2093 13.5460 13.5460 13.5571 13.5571 14.8368 14.8368 14.8457 14.8457 16.5024 16.5047 k = 0.3707 0.3707 0.3707 ( 4101 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9566 -24.9566 -24.1382 -24.1382 -24.1377 -24.1377 -24.1339 -24.1339 -24.1333 -24.1333 1.0555 1.0555 2.2540 2.2540 2.2572 2.2572 3.8328 3.8328 3.8420 3.8420 3.8844 3.8844 7.5346 7.5346 7.8669 7.8669 11.0739 11.0739 11.0806 11.0806 11.6218 11.6218 11.6368 11.6368 12.2389 12.2389 12.5354 12.5354 12.5658 12.5658 13.1464 13.1464 13.1988 13.1988 13.5518 13.5518 13.6725 13.6725 14.8547 14.8547 14.8668 14.8668 16.5050 16.5073 k = 0.3793 0.3793 0.3793 ( 4113 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9567 -24.9567 -24.1381 -24.1381 -24.1377 -24.1377 -24.1340 -24.1340 -24.1335 -24.1335 1.1675 1.1675 2.2704 2.2704 2.2737 2.2737 3.7440 3.7440 3.7529 3.7529 3.8370 3.8370 7.4511 7.4511 7.7325 7.7325 11.2112 11.2112 11.2165 11.2165 11.6856 11.6856 11.6982 11.6982 12.2983 12.2983 12.5508 12.5508 12.5822 12.5822 13.1373 13.1373 13.1890 13.1890 13.5488 13.5488 13.7941 13.7941 14.8749 14.8749 14.8903 14.8903 16.5037 16.5043 k = 0.3879 0.3879 0.3879 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9568 -24.9568 -24.1380 -24.1380 -24.1376 -24.1376 -24.1340 -24.1340 -24.1337 -24.1337 1.2807 1.2807 2.2893 2.2893 2.2928 2.2928 3.6576 3.6576 3.6663 3.6663 3.7869 3.7869 7.3713 7.3713 7.6056 7.6056 11.3416 11.3416 11.3457 11.3457 11.7455 11.7455 11.7558 11.7558 12.3571 12.3571 12.5711 12.5711 12.6033 12.6033 13.1296 13.1296 13.1805 13.1805 13.5408 13.5408 13.9183 13.9183 14.8979 14.8979 14.9165 14.9165 16.4974 16.4975 k = 0.3966 0.3966 0.3966 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9568 -24.9568 -24.1379 -24.1379 -24.1376 -24.1376 -24.1341 -24.1341 -24.1339 -24.1339 1.3951 1.3951 2.3106 2.3106 2.3142 2.3142 3.5737 3.5737 3.5822 3.5822 3.7337 3.7337 7.2953 7.2953 7.4866 7.4866 11.4641 11.4641 11.4670 11.4670 11.8008 11.8008 11.8090 11.8090 12.4152 12.4152 12.5964 12.5964 12.6291 12.6291 13.1237 13.1237 13.1734 13.1734 13.5278 13.5278 14.0447 14.0447 14.9239 14.9239 14.9457 14.9457 16.4852 16.4853 k = 0.4052 0.4052 0.4052 ( 4119 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9569 -24.9569 -24.1378 -24.1378 -24.1375 -24.1375 -24.1343 -24.1343 -24.1340 -24.1340 1.5103 1.5103 2.3344 2.3344 2.3382 2.3382 3.4922 3.4922 3.5005 3.5005 3.6770 3.6770 7.2236 7.2236 7.3762 7.3762 11.5774 11.5774 11.5792 11.5792 11.8514 11.8514 11.8576 11.8576 12.4727 12.4727 12.6267 12.6267 12.6597 12.6597 13.1198 13.1198 13.1679 13.1679 13.5098 13.5098 14.1734 14.1734 14.9535 14.9535 14.9783 14.9783 16.4658 16.4658 k = 0.4138 0.4138 0.4138 ( 4119 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9569 -24.9569 -24.1377 -24.1377 -24.1375 -24.1375 -24.1344 -24.1344 -24.1342 -24.1342 1.6263 1.6263 2.3607 2.3607 2.3646 2.3646 3.4132 3.4132 3.4212 3.4212 3.6164 3.6164 7.1563 7.1563 7.2747 7.2747 11.6803 11.6803 11.6813 11.6813 11.8968 11.8968 11.9015 11.9015 12.5299 12.5299 12.6618 12.6618 12.6944 12.6944 13.1181 13.1181 13.1641 13.1641 13.4872 13.4872 14.3041 14.3041 14.9872 14.9872 15.0149 15.0149 16.4369 16.4369 k = 0.4224 0.4224 0.4224 ( 4125 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9570 -24.9570 -24.1375 -24.1375 -24.1374 -24.1374 -24.1345 -24.1345 -24.1344 -24.1344 1.7427 1.7427 2.3895 2.3895 2.3935 2.3935 3.3367 3.3367 3.3445 3.3445 3.5515 3.5515 7.0937 7.0937 7.1827 7.1827 11.7719 11.7719 11.7723 11.7723 11.9371 11.9371 11.9406 11.9406 12.5866 12.5866 12.7010 12.7010 12.7327 12.7327 13.1185 13.1185 13.1618 13.1618 13.4603 13.4603 14.4367 14.4367 15.0256 15.0256 15.0559 15.0559 16.3967 16.3967 k = 0.4310 0.4310 0.4310 ( 4125 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9571 -24.9571 -24.9570 -24.9570 -24.1374 -24.1374 -24.1373 -24.1373 -24.1347 -24.1347 -24.1346 -24.1346 1.8594 1.8594 2.4207 2.4207 2.4249 2.4249 3.2627 3.2627 3.2702 3.2702 3.4821 3.4821 7.0361 7.0361 7.1004 7.1004 11.8513 11.8513 11.8515 11.8515 11.9724 11.9724 11.9753 11.9753 12.6430 12.6430 12.7437 12.7437 12.7739 12.7739 13.1207 13.1207 13.1606 13.1606 13.4293 13.4293 14.5709 14.5709 15.0694 15.0694 15.1019 15.1019 16.3440 16.3440 k = 0.4397 0.4397 0.4397 ( 4122 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9570 -24.9570 -24.1372 -24.1372 -24.1372 -24.1372 -24.1348 -24.1348 -24.1348 -24.1348 1.9760 1.9760 2.4545 2.4545 2.4588 2.4588 3.1912 3.1912 3.1985 3.1985 3.4080 3.4080 6.9839 6.9839 7.0281 7.0281 11.9183 11.9183 11.9187 11.9187 12.0031 12.0031 12.0057 12.0057 12.6990 12.6990 12.7890 12.7890 12.8169 12.8169 13.1238 13.1238 13.1598 13.1598 13.3946 13.3946 14.7066 14.7066 15.1191 15.1191 15.1534 15.1534 16.2791 16.2791 k = 0.4483 0.4483 0.4483 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1371 -24.1371 -24.1370 -24.1370 -24.1350 -24.1350 -24.1350 -24.1350 2.0923 2.0923 2.4907 2.4907 2.4953 2.4953 3.1222 3.1222 3.1293 3.1293 3.3292 3.3292 6.9374 6.9374 6.9659 6.9659 11.9729 11.9729 11.9739 11.9739 12.0295 12.0295 12.0323 12.0323 12.7547 12.7547 12.8356 12.8356 12.8607 12.8607 13.1268 13.1268 13.1583 13.1583 13.3565 13.3565 14.8435 14.8435 15.1754 15.1754 15.2108 15.2108 16.2034 16.2034 k = 0.4569 0.4569 0.4569 ( 4122 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1369 -24.1369 -24.1369 -24.1369 -24.1352 -24.1352 -24.1352 -24.1352 2.2080 2.2080 2.5295 2.5295 2.5342 2.5342 3.0558 3.0558 3.0626 3.0626 3.2457 3.2457 6.8970 6.8970 6.9139 6.9139 12.0159 12.0159 12.0179 12.0179 12.0517 12.0517 12.0551 12.0551 12.8101 12.8101 12.8823 12.8823 12.9040 12.9040 13.1286 13.1286 13.1551 13.1551 13.3156 13.3156 14.9811 14.9811 15.2383 15.2383 15.2744 15.2744 16.1191 16.1191 k = 0.4655 0.4655 0.4655 ( 4122 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1368 -24.1368 -24.1367 -24.1367 -24.1354 -24.1354 -24.1353 -24.1353 2.3227 2.3227 2.5708 2.5708 2.5757 2.5757 2.9918 2.9918 2.9984 2.9984 3.1575 3.1575 6.8629 6.8629 6.8719 6.8719 12.0484 12.0484 12.0514 12.0514 12.0702 12.0702 12.0742 12.0742 12.8650 12.8650 12.9279 12.9279 12.9459 12.9459 13.1277 13.1277 13.1490 13.1490 13.2720 13.2720 15.1190 15.1190 15.3081 15.3081 15.3442 15.3442 16.0286 16.0286 k = 0.4741 0.4741 0.4741 ( 4122 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1366 -24.1366 -24.1366 -24.1366 -24.1355 -24.1355 -24.1355 -24.1355 2.4361 2.4361 2.6146 2.6146 2.6197 2.6197 2.9303 2.9303 2.9367 2.9367 3.0650 3.0650 6.8357 6.8357 6.8398 6.8398 12.0719 12.0719 12.0757 12.0757 12.0849 12.0849 12.0892 12.0892 12.9194 12.9194 12.9713 12.9713 12.9851 12.9851 13.1230 13.1230 13.1389 13.1389 13.2262 13.2262 15.2566 15.2566 15.3845 15.3845 15.4199 15.4199 15.9342 15.9342 k = 0.4828 0.4828 0.4828 ( 4122 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1364 -24.1364 -24.1364 -24.1364 -24.1357 -24.1357 -24.1357 -24.1357 2.5476 2.5476 2.6609 2.6609 2.6662 2.6662 2.8714 2.8714 2.8776 2.8776 2.9683 2.9683 6.8157 6.8157 6.8173 6.8173 12.0883 12.0883 12.0918 12.0918 12.0957 12.0957 12.0994 12.0994 12.9732 12.9732 13.0114 13.0114 13.0207 13.0207 13.1135 13.1135 13.1240 13.1240 13.1784 13.1784 15.3930 15.3930 15.4669 15.4669 15.5012 15.5012 15.8378 15.8378 k = 0.4914 0.4914 0.4914 ( 4104 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1363 -24.1363 -24.1363 -24.1363 -24.1359 -24.1359 -24.1359 -24.1359 2.6570 2.6570 2.7098 2.7098 2.7151 2.7151 2.8150 2.8150 2.8210 2.8210 2.8679 2.8679 6.8034 6.8034 6.8040 6.8040 12.0988 12.0988 12.1009 12.1009 12.1023 12.1023 12.1044 12.1044 13.0261 13.0261 13.0473 13.0473 13.0520 13.0520 13.0986 13.0986 13.1039 13.1039 13.1290 13.1290 15.5267 15.5267 15.5546 15.5546 15.5870 15.5870 15.7414 15.7414 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7697 2.7697 2.7697 2.7697 6.7995 6.7995 6.7995 6.7995 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0784 13.0784 13.0784 13.0784 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7697 2.7697 2.7697 2.7697 6.7995 6.7995 6.7995 6.7995 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0784 13.0784 13.0784 13.0784 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 k = 0.4894 0.5000 0.4894 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1363 -24.1363 -24.1363 -24.1363 -24.1359 -24.1359 -24.1359 -24.1359 2.6717 2.6717 2.6718 2.6718 2.7651 2.7651 2.7652 2.7652 2.8560 2.8560 2.8560 2.8560 6.8035 6.8035 6.8041 6.8041 12.0985 12.0985 12.1007 12.1007 12.1027 12.1027 12.1045 12.1045 13.0304 13.0304 13.0313 13.0313 13.0737 13.0737 13.0788 13.0788 13.1208 13.1208 13.1214 13.1214 15.5223 15.5223 15.5361 15.5361 15.6605 15.6605 15.6611 15.6611 k = 0.4787 0.5000 0.4787 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1364 -24.1364 -24.1364 -24.1364 -24.1357 -24.1357 -24.1357 -24.1357 2.5796 2.5796 2.5798 2.5798 2.7688 2.7688 2.7689 2.7689 2.9475 2.9475 2.9476 2.9476 6.8162 6.8162 6.8173 6.8173 12.0864 12.0864 12.0908 12.0908 12.0971 12.0971 12.1004 12.1004 12.9778 12.9778 12.9798 12.9798 13.0658 13.0658 13.0759 13.0759 13.1599 13.1599 13.1610 13.1610 15.3965 15.3965 15.4115 15.4115 15.6528 15.6528 15.6593 15.6593 k = 0.4681 0.5000 0.4681 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1366 -24.1366 -24.1366 -24.1366 -24.1355 -24.1355 -24.1355 -24.1355 2.4874 2.4874 2.4878 2.4878 2.7749 2.7749 2.7751 2.7751 3.0386 3.0386 3.0389 3.0389 6.8374 6.8374 6.8391 6.8391 12.0670 12.0670 12.0738 12.0738 12.0880 12.0880 12.0927 12.0927 12.9197 12.9197 12.9229 12.9229 13.0546 13.0546 13.0696 13.0696 13.1961 13.1961 13.1974 13.1974 15.2755 15.2755 15.2909 15.2909 15.6426 15.6426 15.6534 15.6534 k = 0.4574 0.5000 0.4574 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1368 -24.1368 -24.1368 -24.1368 -24.1353 -24.1353 -24.1353 -24.1353 2.3955 2.3955 2.3960 2.3960 2.7835 2.7835 2.7837 2.7837 3.1293 3.1293 3.1297 3.1297 6.8672 6.8672 6.8695 6.8695 12.0398 12.0398 12.0485 12.0485 12.0756 12.0756 12.0818 12.0818 12.8559 12.8559 12.8606 12.8606 13.0407 13.0407 13.0602 13.0602 13.2299 13.2299 13.2313 13.2313 15.1610 15.1610 15.1766 15.1766 15.6297 15.6297 15.6439 15.6439 k = 0.4468 0.5000 0.4468 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1369 -24.1369 -24.1369 -24.1369 -24.1352 -24.1352 -24.1352 -24.1352 2.3040 2.3040 2.3045 2.3045 2.7945 2.7945 2.7948 2.7948 3.2195 3.2195 3.2200 3.2200 6.9053 6.9053 6.9082 6.9082 12.0038 12.0038 12.0143 12.0143 12.0602 12.0602 12.0679 12.0679 12.7865 12.7865 12.7926 12.7926 13.0247 13.0247 13.0482 13.0482 13.2617 13.2617 13.2631 13.2631 15.0542 15.0542 15.0698 15.0698 15.6143 15.6143 15.6310 15.6310 k = 0.4362 0.5000 0.4362 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1371 -24.1371 -24.1371 -24.1371 -24.1350 -24.1350 -24.1350 -24.1350 2.2129 2.2129 2.2134 2.2134 2.8079 2.8079 2.8083 2.8083 3.3091 3.3091 3.3097 3.3097 6.9517 6.9517 6.9551 6.9551 11.9582 11.9582 11.9700 11.9700 12.0421 12.0421 12.0513 12.0513 12.7116 12.7116 12.7192 12.7192 13.0073 13.0073 13.0344 13.0344 13.2919 13.2919 13.2931 13.2931 14.9562 14.9562 14.9716 14.9716 15.5967 15.5967 15.6150 15.6150 k = 0.4255 0.5000 0.4255 ( 4132 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1372 -24.1372 -24.1372 -24.1372 -24.1348 -24.1348 -24.1348 -24.1348 2.1224 2.1224 2.1230 2.1230 2.8238 2.8238 2.8243 2.8243 3.3982 3.3982 3.3989 3.3989 7.0062 7.0062 7.0102 7.0102 11.9023 11.9023 11.9148 11.9148 12.0216 12.0216 12.0323 12.0323 12.6315 12.6315 12.6405 12.6405 12.9897 12.9897 13.0195 13.0195 13.3204 13.3204 13.3214 13.3214 14.8676 14.8676 14.8828 14.8828 15.5771 15.5771 15.5962 15.5962 k = 0.4149 0.5000 0.4149 ( 4118 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9570 -24.9570 -24.1373 -24.1373 -24.1373 -24.1373 -24.1346 -24.1346 -24.1346 -24.1346 2.0327 2.0327 2.0333 2.0333 2.8421 2.8421 2.8426 2.8426 3.4867 3.4867 3.4876 3.4876 7.0686 7.0686 7.0732 7.0732 11.8352 11.8352 11.8480 11.8480 11.9987 11.9987 12.0112 12.0112 12.5466 12.5466 12.5572 12.5572 12.9727 12.9727 13.0046 13.0046 13.3473 13.3473 13.3480 13.3480 14.7889 14.7889 14.8036 14.8036 15.5561 15.5561 15.5752 15.5752 k = 0.4043 0.5000 0.4043 ( 4118 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1375 -24.1375 -24.1375 -24.1375 -24.1345 -24.1345 -24.1344 -24.1344 1.9438 1.9438 1.9445 1.9445 2.8629 2.8629 2.8634 2.8634 3.5748 3.5748 3.5758 3.5758 7.1386 7.1386 7.1438 7.1438 11.7567 11.7567 11.7692 11.7692 11.9735 11.9735 11.9881 11.9881 12.4575 12.4575 12.4698 12.4698 12.9572 12.9572 12.9904 12.9904 13.3723 13.3723 13.3727 13.3727 14.7202 14.7202 14.7343 14.7343 15.5340 15.5340 15.5526 15.5526 k = 0.3936 0.5000 0.3936 ( 4110 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1376 -24.1376 -24.1376 -24.1376 -24.1343 -24.1343 -24.1343 -24.1343 1.8560 1.8560 1.8568 1.8568 2.8860 2.8860 2.8866 2.8866 3.6624 3.6624 3.6635 3.6635 7.2161 7.2161 7.2218 7.2218 11.6668 11.6668 11.6785 11.6785 11.9461 11.9461 11.9630 11.9630 12.3649 12.3649 12.3791 12.3791 12.9440 12.9440 12.9778 12.9778 13.3952 13.3952 13.3954 13.3954 14.6612 14.6612 14.6747 14.6747 15.5116 15.5116 15.5290 15.5290 k = 0.3830 0.5000 0.3830 ( 4108 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1377 -24.1377 -24.1377 -24.1377 -24.1341 -24.1341 -24.1341 -24.1341 1.7694 1.7694 1.7702 1.7702 2.9115 2.9115 2.9122 2.9122 3.7496 3.7496 3.7509 3.7509 7.3006 7.3006 7.3069 7.3069 11.5658 11.5658 11.5764 11.5764 11.9161 11.9161 11.9359 11.9359 12.2693 12.2693 12.2861 12.2861 12.9336 12.9336 12.9673 12.9673 13.4157 13.4157 13.4157 13.4157 14.6116 14.6116 14.6242 14.6242 15.4895 15.4895 15.5053 15.5053 k = 0.3723 0.5000 0.3723 ( 4108 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1378 -24.1378 -24.1378 -24.1378 -24.1340 -24.1340 -24.1339 -24.1339 1.6840 1.6840 1.6848 1.6848 2.9395 2.9395 2.9402 2.9402 3.8366 3.8366 3.8379 3.8379 7.3920 7.3920 7.3989 7.3989 11.4545 11.4545 11.4639 11.4639 11.8825 11.8825 11.9059 11.9059 12.1723 12.1723 12.1922 12.1922 12.9262 12.9262 12.9593 12.9593 13.4333 13.4333 13.4335 13.4335 14.5706 14.5706 14.5823 14.5823 15.4682 15.4682 15.4822 15.4822 k = 0.3617 0.5000 0.3617 ( 4106 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1379 -24.1379 -24.1379 -24.1379 -24.1338 -24.1338 -24.1338 -24.1338 1.6000 1.6000 1.6008 1.6008 2.9697 2.9697 2.9706 2.9706 3.9234 3.9234 3.9248 3.9248 7.4899 7.4899 7.4974 7.4974 11.3340 11.3340 11.3420 11.3420 11.8432 11.8432 11.8711 11.8711 12.0761 12.0761 12.1001 12.1001 12.9220 12.9220 12.9541 12.9541 13.4479 13.4479 13.4481 13.4481 14.5374 14.5374 14.5482 14.5482 15.4484 15.4484 15.4605 15.4605 k = 0.3511 0.5000 0.3511 ( 4110 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1380 -24.1380 -24.1380 -24.1380 -24.1337 -24.1337 -24.1336 -24.1336 1.5175 1.5175 1.5184 1.5184 3.0024 3.0024 3.0032 3.0032 4.0101 4.0101 4.0117 4.0117 7.5940 7.5940 7.6021 7.6021 11.2055 11.2055 11.2121 11.2121 11.7943 11.7943 11.8260 11.8260 11.9868 11.9868 12.0142 12.0142 12.9208 12.9208 12.9516 12.9516 13.4591 13.4591 13.4594 13.4594 14.5114 14.5114 14.5213 14.5213 15.4308 15.4308 15.4407 15.4407 k = 0.3404 0.5000 0.3404 ( 4110 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1380 -24.1380 -24.1380 -24.1380 -24.1335 -24.1335 -24.1335 -24.1335 1.4366 1.4366 1.4375 1.4375 3.0373 3.0373 3.0383 3.0383 4.0970 4.0970 4.0987 4.0987 7.7038 7.7038 7.7126 7.7126 11.0701 11.0701 11.0755 11.0755 11.7298 11.7298 11.7606 11.7606 11.9148 11.9148 11.9408 11.9408 12.9225 12.9225 12.9519 12.9519 13.4668 13.4668 13.4671 13.4671 14.4917 14.4917 14.5006 14.5006 15.4157 15.4157 15.4235 15.4235 k = 0.3298 0.5000 0.3298 ( 4110 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1381 -24.1381 -24.1381 -24.1381 -24.1334 -24.1334 -24.1334 -24.1334 1.3575 1.3575 1.3583 1.3583 3.0746 3.0746 3.0756 3.0756 4.1840 4.1840 4.1858 4.1858 7.8191 7.8191 7.8285 7.8285 10.9291 10.9291 10.9333 10.9333 11.6471 11.6471 11.6713 11.6713 11.8640 11.8640 11.8830 11.8830 12.9269 12.9269 12.9548 12.9548 13.4708 13.4708 13.4709 13.4709 14.4774 14.4774 14.4855 14.4855 15.4035 15.4035 15.4094 15.4094 k = 0.3191 0.5000 0.3191 ( 4118 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1381 -24.1381 -24.1381 -24.1381 -24.1333 -24.1333 -24.1333 -24.1333 1.2801 1.2801 1.2809 1.2809 3.1141 3.1141 3.1151 3.1151 4.2715 4.2715 4.2733 4.2733 7.9393 7.9393 7.9494 7.9494 10.7835 10.7835 10.7868 10.7868 11.5495 11.5495 11.5668 11.5668 11.8261 11.8261 11.8378 11.8378 12.9337 12.9337 12.9601 12.9601 13.4709 13.4709 13.4709 13.4709 14.4681 14.4681 14.4753 14.4753 15.3946 15.3946 15.3986 15.3986 k = 0.3085 0.5000 0.3085 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1382 -24.1382 -24.1381 -24.1381 -24.1332 -24.1332 -24.1331 -24.1331 1.2046 1.2046 1.2054 1.2054 3.1558 3.1558 3.1569 3.1569 4.3593 4.3593 4.3613 4.3613 8.0641 8.0641 8.0749 8.0749 10.6346 10.6346 10.6371 10.6371 11.4422 11.4422 11.4545 11.4545 11.7941 11.7941 11.8003 11.8003 12.9428 12.9428 12.9677 12.9677 13.4671 13.4671 13.4673 13.4673 14.4629 14.4629 14.4694 14.4694 15.3890 15.3890 15.3912 15.3912 k = 0.2979 0.5000 0.2979 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1382 -24.1382 -24.1382 -24.1382 -24.1331 -24.1331 -24.1330 -24.1330 1.1310 1.1310 1.1319 1.1319 3.1998 3.1998 3.2009 3.2009 4.4478 4.4478 4.4499 4.4499 8.1929 8.1929 8.2046 8.2046 10.4832 10.4832 10.4850 10.4850 11.3288 11.3288 11.3377 11.3377 11.7649 11.7649 11.7672 11.7672 12.9540 12.9540 12.9773 12.9773 13.4597 13.4597 13.4602 13.4602 14.4613 14.4613 14.4671 14.4671 15.3867 15.3867 15.3873 15.3873 k = 0.2872 0.5000 0.2872 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1382 -24.1382 -24.1382 -24.1382 -24.1330 -24.1330 -24.1329 -24.1329 1.0595 1.0595 1.0603 1.0603 3.2459 3.2459 3.2471 3.2471 4.5371 4.5371 4.5392 4.5392 8.3253 8.3253 8.3379 8.3379 10.3302 10.3302 10.3315 10.3315 11.2114 11.2114 11.2179 11.2179 11.7368 11.7368 11.7375 11.7375 12.9669 12.9669 12.9888 12.9888 13.4491 13.4491 13.4497 13.4497 14.4628 14.4628 14.4680 14.4680 15.3867 15.3867 15.3874 15.3874 k = 0.2766 0.5000 0.2766 ( 4128 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1382 -24.1382 -24.1382 -24.1382 -24.1329 -24.1329 -24.1329 -24.1329 0.9901 0.9901 0.9909 0.9909 3.2941 3.2941 3.2954 3.2954 4.6271 4.6271 4.6294 4.6294 8.4606 8.4606 8.4742 8.4742 10.1766 10.1766 10.1776 10.1776 11.0909 11.0909 11.0958 11.0958 11.7081 11.7081 11.7112 11.7112 12.9814 12.9814 13.0019 13.0019 13.4355 13.4355 13.4365 13.4365 14.4670 14.4670 14.4716 14.4716 15.3889 15.3889 15.3909 15.3909 k = 0.2660 0.5000 0.2660 ( 4128 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9567 -24.9567 -24.9566 -24.9566 -24.1382 -24.1382 -24.1381 -24.1381 -24.1328 -24.1328 -24.1328 -24.1328 0.9229 0.9229 0.9237 0.9237 3.3444 3.3444 3.3457 3.3457 4.7181 4.7181 4.7205 4.7205 8.5978 8.5978 8.6126 8.6126 10.0234 10.0234 10.0242 10.0242 10.9681 10.9681 10.9718 10.9718 11.6809 11.6809 11.6859 11.6859 12.9974 12.9974 13.0165 13.0165 13.4196 13.4196 13.4209 13.4209 14.4735 14.4735 14.4774 14.4774 15.3936 15.3936 15.3967 15.3967 k = 0.2553 0.5000 0.2553 ( 4130 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9566 -24.9566 -24.9566 -24.9566 -24.1382 -24.1382 -24.1381 -24.1381 -24.1328 -24.1328 -24.1327 -24.1327 0.8578 0.8578 0.8586 0.8586 3.3966 3.3966 3.3980 3.3980 4.8102 4.8102 4.8126 4.8126 8.7357 8.7357 8.7520 8.7520 9.8718 9.8718 9.8728 9.8728 10.8434 10.8434 10.8465 10.8465 11.6547 11.6547 11.6614 11.6614 13.0147 13.0147 13.0324 13.0324 13.4019 13.4019 13.4036 13.4036 14.4820 14.4820 14.4853 14.4853 15.4000 15.4000 15.4041 15.4041 k = 0.2447 0.5000 0.2447 ( 4130 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9566 -24.9566 -24.9566 -24.9566 -24.1381 -24.1381 -24.1381 -24.1381 -24.1327 -24.1327 -24.1327 -24.1327 0.7951 0.7951 0.7959 0.7959 3.4508 3.4508 3.4522 3.4522 4.9033 4.9033 4.9058 4.9058 8.8718 8.8718 8.8900 8.8900 9.7243 9.7243 9.7258 9.7258 10.7173 10.7173 10.7200 10.7200 11.6296 11.6296 11.6376 11.6376 13.0330 13.0330 13.0493 13.0493 13.3830 13.3830 13.3851 13.3851 14.4921 14.4921 14.4947 14.4947 15.4077 15.4077 15.4125 15.4125 k = 0.2340 0.5000 0.2340 ( 4130 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9565 -24.9565 -24.9565 -24.9565 -24.1381 -24.1381 -24.1380 -24.1380 -24.1327 -24.1327 -24.1326 -24.1326 0.7347 0.7347 0.7355 0.7355 3.5068 3.5068 3.5082 3.5082 4.9977 4.9977 5.0002 5.0002 8.9998 8.9998 9.0207 9.0207 9.5867 9.5867 9.5892 9.5892 10.5900 10.5900 10.5927 10.5927 11.6054 11.6054 11.6147 11.6147 13.0522 13.0522 13.0671 13.0671 13.3636 13.3636 13.3661 13.3661 14.5035 14.5035 14.5056 14.5056 15.4157 15.4157 15.4212 15.4212 k = 0.2234 0.5000 0.2234 ( 4126 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9565 -24.9565 -24.9565 -24.9565 -24.1380 -24.1380 -24.1380 -24.1380 -24.1327 -24.1327 -24.1326 -24.1326 0.6767 0.6767 0.6774 0.6774 3.5646 3.5646 3.5660 3.5660 5.0932 5.0932 5.0959 5.0959 9.0985 9.0985 9.1220 9.1220 9.4806 9.4806 9.4839 9.4839 10.4619 10.4619 10.4651 10.4651 11.5820 11.5820 11.5925 11.5925 13.0721 13.0721 13.0854 13.0854 13.3442 13.3442 13.3474 13.3474 14.5162 14.5162 14.5176 14.5176 15.4233 15.4233 15.4294 15.4294 k = 0.2128 0.5000 0.2128 ( 4134 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9565 -24.9565 -24.9565 -24.9565 -24.1379 -24.1379 -24.1379 -24.1379 -24.1327 -24.1327 -24.1326 -24.1326 0.6212 0.6212 0.6219 0.6219 3.6239 3.6239 3.6254 3.6254 5.1900 5.1900 5.1928 5.1928 9.1077 9.1077 9.1269 9.1269 9.4693 9.4693 9.4728 9.4728 10.3335 10.3335 10.3378 10.3378 11.5596 11.5596 11.5712 11.5712 13.0924 13.0924 13.1040 13.1040 13.3257 13.3257 13.3297 13.3297 14.5299 14.5299 14.5307 14.5307 15.4297 15.4297 15.4363 15.4363 k = 0.2021 0.5000 0.2021 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9564 -24.9564 -24.9564 -24.9564 -24.1379 -24.1379 -24.1378 -24.1378 -24.1327 -24.1327 -24.1326 -24.1326 0.5681 0.5681 0.5687 0.5687 3.6848 3.6848 3.6863 3.6863 5.2881 5.2881 5.2910 5.2910 9.0173 9.0173 9.0300 9.0300 9.5538 9.5538 9.5673 9.5673 10.2059 10.2059 10.2126 10.2126 11.5381 11.5381 11.5507 11.5507 13.1128 13.1128 13.1223 13.1223 13.3087 13.3087 13.3139 13.3139 14.5444 14.5444 14.5445 14.5445 15.4342 15.4342 15.4411 15.4411 k = 0.1915 0.5000 0.1915 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1378 -24.1378 -24.1377 -24.1377 -24.1327 -24.1327 -24.1326 -24.1326 0.5175 0.5175 0.5181 0.5181 3.7470 3.7470 3.7486 3.7486 5.3875 5.3875 5.3905 5.3905 8.8917 8.8917 8.9014 8.9014 9.6675 9.6675 9.6904 9.6904 10.0828 10.0828 10.0948 10.0948 11.5176 11.5176 11.5311 11.5311 13.1328 13.1328 13.1398 13.1398 13.2941 13.2941 13.3009 13.3009 14.5590 14.5590 14.5596 14.5596 15.4358 15.4358 15.4432 15.4432 k = 0.1809 0.5000 0.1809 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9564 -24.9564 -24.9564 -24.9564 -24.1377 -24.1377 -24.1376 -24.1376 -24.1327 -24.1327 -24.1326 -24.1326 0.4695 0.4695 0.4701 0.4701 3.8104 3.8104 3.8120 3.8120 5.4881 5.4881 5.4912 5.4912 8.7574 8.7574 8.7658 8.7658 9.7577 9.7577 9.7938 9.7938 9.9873 9.9873 10.0101 10.0101 11.4981 11.4981 11.5126 11.5126 13.1517 13.1517 13.1554 13.1554 13.2829 13.2829 13.2921 13.2921 14.5742 14.5742 14.5754 14.5754 15.4339 15.4339 15.4417 15.4417 k = 0.1702 0.5000 0.1702 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1376 -24.1376 -24.1375 -24.1375 -24.1328 -24.1328 -24.1327 -24.1327 0.4241 0.4241 0.4246 0.4246 3.8748 3.8748 3.8764 3.8764 5.5899 5.5899 5.5932 5.5932 8.6220 8.6220 8.6296 8.6296 9.7360 9.7360 9.7624 9.7624 10.0283 10.0283 10.0394 10.0394 11.4797 11.4797 11.4952 11.4952 13.1682 13.1682 13.1683 13.1683 13.2767 13.2767 13.2888 13.2888 14.5898 14.5898 14.5917 14.5917 15.4281 15.4281 15.4364 15.4364 k = 0.1596 0.5000 0.1596 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1374 -24.1374 -24.1374 -24.1374 -24.1328 -24.1328 -24.1327 -24.1327 0.3812 0.3812 0.3818 0.3818 3.9399 3.9399 3.9415 3.9415 5.6929 5.6929 5.6963 5.6963 8.4880 8.4880 8.4953 8.4953 9.6316 9.6316 9.6471 9.6471 10.1504 10.1504 10.1516 10.1516 11.4626 11.4626 11.4791 11.4791 13.1775 13.1775 13.1813 13.1813 13.2770 13.2770 13.2919 13.2919 14.6058 14.6058 14.6084 14.6084 15.4179 15.4179 15.4268 15.4268 k = 0.1489 0.5000 0.1489 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9563 -24.9563 -24.9563 -24.9563 -24.1373 -24.1373 -24.1372 -24.1372 -24.1329 -24.1329 -24.1328 -24.1328 0.3410 0.3410 0.3415 0.3415 4.0054 4.0054 4.0070 4.0070 5.7969 5.7969 5.8005 5.8005 8.3570 8.3570 8.3641 8.3641 9.5086 9.5086 9.5197 9.5197 10.2772 10.2772 10.2842 10.2842 11.4470 11.4470 11.4644 11.4644 13.1838 13.1838 13.1904 13.1904 13.2843 13.2843 13.3011 13.3011 14.6222 14.6222 14.6255 14.6255 15.4033 15.4033 15.4128 15.4128 k = 0.1383 0.5000 0.1383 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1372 -24.1372 -24.1371 -24.1371 -24.1329 -24.1329 -24.1329 -24.1329 0.3035 0.3035 0.3040 0.3040 4.0711 4.0711 4.0727 4.0727 5.9017 5.9017 5.9055 5.9055 8.2300 8.2300 8.2369 8.2369 9.3807 9.3807 9.3895 9.3895 10.4046 10.4046 10.4152 10.4152 11.4330 11.4330 11.4514 11.4514 13.1887 13.1887 13.1967 13.1967 13.2977 13.2977 13.3149 13.3149 14.6389 14.6389 14.6430 14.6430 15.3841 15.3841 15.3945 15.3945 k = 0.1277 0.5000 0.1277 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1370 -24.1370 -24.1370 -24.1370 -24.1330 -24.1330 -24.1329 -24.1329 0.2687 0.2687 0.2691 0.2691 4.1365 4.1365 4.1381 4.1381 6.0071 6.0071 6.0112 6.0112 8.1077 8.1077 8.1146 8.1146 9.2511 9.2511 9.2584 9.2584 10.5281 10.5281 10.5415 10.5415 11.4210 11.4210 11.4405 11.4405 13.1939 13.1939 13.2024 13.2024 13.3149 13.3149 13.3317 13.3317 14.6559 14.6559 14.6608 14.6608 15.3608 15.3608 15.3721 15.3721 k = 0.1170 0.5000 0.1170 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1369 -24.1369 -24.1368 -24.1368 -24.1331 -24.1331 -24.1330 -24.1330 0.2366 0.2366 0.2370 0.2370 4.2012 4.2012 4.2027 4.2027 6.1129 6.1129 6.1172 6.1172 7.9911 7.9911 7.9979 7.9979 9.1212 9.1212 9.1275 9.1275 10.6450 10.6450 10.6608 10.6608 11.4114 11.4114 11.4320 11.4320 13.2007 13.2007 13.2094 13.2094 13.3341 13.3341 13.3501 13.3501 14.6733 14.6733 14.6790 14.6790 15.3338 15.3338 15.3460 15.3460 k = 0.1064 0.5000 0.1064 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9562 -24.9562 -24.9562 -24.9562 -24.1367 -24.1367 -24.1367 -24.1367 -24.1332 -24.1332 -24.1331 -24.1331 0.2072 0.2072 0.2076 0.2076 4.2646 4.2646 4.2661 4.2661 6.2185 6.2185 6.2231 6.2231 7.8810 7.8810 7.8879 7.8879 8.9917 8.9917 8.9971 8.9971 10.7533 10.7533 10.7712 10.7712 11.4049 11.4049 11.4265 11.4265 13.2098 13.2098 13.2184 13.2184 13.3543 13.3543 13.3693 13.3693 14.6911 14.6911 14.6975 14.6975 15.3035 15.3035 15.3165 15.3165 k = 0.0957 0.5000 0.0957 ( 4110 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1366 -24.1366 -24.1365 -24.1365 -24.1333 -24.1333 -24.1332 -24.1332 0.1806 0.1806 0.1809 0.1809 4.3262 4.3262 4.3276 4.3276 6.3234 6.3234 6.3282 6.3282 7.7785 7.7785 7.7856 7.7856 8.8631 8.8631 8.8678 8.8678 10.8509 10.8509 10.8706 10.8706 11.4023 11.4023 11.4248 11.4248 13.2213 13.2213 13.2298 13.2298 13.3748 13.3748 13.3886 13.3886 14.7094 14.7094 14.7166 14.7166 15.2705 15.2705 15.2843 15.2843 k = 0.0851 0.5000 0.0851 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1364 -24.1364 -24.1364 -24.1364 -24.1334 -24.1334 -24.1333 -24.1333 0.1567 0.1567 0.1570 0.1570 4.3851 4.3851 4.3864 4.3864 6.4265 6.4265 6.4317 6.4317 7.6851 7.6851 7.6922 7.6922 8.7361 8.7361 8.7402 8.7402 10.9360 10.9360 10.9569 10.9569 11.4047 11.4047 11.4277 11.4277 13.2352 13.2352 13.2433 13.2433 13.3952 13.3952 13.4077 13.4077 14.7283 14.7283 14.7363 14.7363 15.2354 15.2354 15.2497 15.2497 k = 0.0745 0.5000 0.0745 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1363 -24.1363 -24.1362 -24.1362 -24.1335 -24.1335 -24.1334 -24.1334 0.1356 0.1356 0.1359 0.1359 4.4406 4.4406 4.4419 4.4419 6.5266 6.5266 6.5321 6.5321 7.6023 7.6023 7.6096 7.6096 8.6114 8.6114 8.6149 8.6149 11.0068 11.0068 11.0280 11.0280 11.4132 11.4132 11.4359 11.4359 13.2508 13.2508 13.2584 13.2584 13.4152 13.4152 13.4263 13.4263 14.7480 14.7480 14.7567 14.7567 15.1987 15.1987 15.2134 15.2134 k = 0.0638 0.5000 0.0638 ( 4102 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1361 -24.1361 -24.1361 -24.1361 -24.1336 -24.1336 -24.1336 -24.1336 0.1173 0.1173 0.1176 0.1176 4.4918 4.4918 4.4930 4.4930 6.6216 6.6216 6.6274 6.6274 7.5324 7.5324 7.5398 7.5398 8.4899 8.4899 8.4928 8.4928 11.0626 11.0626 11.0826 11.0826 11.4285 11.4285 11.4496 11.4496 13.2673 13.2673 13.2743 13.2743 13.4344 13.4344 13.4441 13.4441 14.7687 14.7687 14.7780 14.7780 15.1610 15.1610 15.1758 15.1758 k = 0.0532 0.5000 0.0532 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1360 -24.1360 -24.1359 -24.1359 -24.1338 -24.1338 -24.1337 -24.1337 0.1018 0.1018 0.1020 0.1020 4.5377 4.5377 4.5387 4.5387 6.7086 6.7086 6.7145 6.7145 7.4783 7.4783 7.4857 7.4857 8.3729 8.3729 8.3753 8.3753 11.1038 11.1038 11.1213 11.1213 11.4494 11.4494 11.4676 11.4676 13.2838 13.2838 13.2899 13.2899 13.4525 13.4525 13.4606 13.4606 14.7906 14.7906 14.8005 14.8005 15.1228 15.1228 15.1374 15.1374 k = 0.0426 0.5000 0.0426 ( 4106 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9561 -24.9561 -24.1359 -24.1359 -24.1358 -24.1358 -24.1339 -24.1339 -24.1338 -24.1338 0.0892 0.0892 0.0893 0.0893 4.5772 4.5772 4.5780 4.5780 6.7835 6.7835 6.7893 6.7893 7.4431 7.4431 7.4502 7.4502 8.2627 8.2627 8.2645 8.2645 11.1325 11.1325 11.1465 11.1465 11.4732 11.4732 11.4875 11.4875 13.2992 13.2992 13.3042 13.3042 13.4690 13.4690 13.4755 13.4755 14.8140 14.8140 14.8244 14.8244 15.0847 15.0847 15.0990 15.0990 k = 0.0319 0.5000 0.0319 ( 4114 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9561 -24.9561 -24.9560 -24.9560 -24.1357 -24.1357 -24.1357 -24.1357 -24.1340 -24.1340 -24.1339 -24.1339 0.0793 0.0793 0.0794 0.0794 4.6093 4.6093 4.6100 4.6100 6.8421 6.8421 6.8472 6.8472 7.4288 7.4288 7.4351 7.4351 8.1626 8.1626 8.1639 8.1639 11.1516 11.1516 11.1618 11.1618 11.4960 11.4960 11.5064 11.5064 13.3123 13.3123 13.3162 13.3162 13.4832 13.4832 13.4880 13.4880 14.8388 14.8388 14.8495 14.8495 15.0476 15.0476 15.0613 15.0613 k = 0.0213 0.5000 0.0213 ( 4118 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1356 -24.1356 -24.1356 -24.1356 -24.1340 -24.1340 -24.1340 -24.1340 0.0722 0.0722 0.0723 0.0723 4.6331 4.6331 4.6335 4.6335 6.8820 6.8820 6.8858 6.8858 7.4333 7.4333 7.4380 7.4380 8.0786 8.0786 8.0793 8.0793 11.1636 11.1636 11.1702 11.1702 11.5148 11.5148 11.5215 11.5215 13.3225 13.3225 13.3251 13.3251 13.4944 13.4944 13.4975 13.4975 14.8648 14.8648 14.8754 14.8754 15.0127 15.0127 15.0253 15.0253 k = 0.0106 0.5000 0.0106 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1356 -24.1356 -24.1355 -24.1355 -24.1341 -24.1341 -24.1340 -24.1340 0.0680 0.0680 0.0681 0.0681 4.6477 4.6477 4.6480 4.6480 6.9041 6.9041 6.9061 6.9061 7.4467 7.4467 7.4492 7.4492 8.0201 8.0201 8.0204 8.0204 11.1706 11.1706 11.1739 11.1739 11.5274 11.5274 11.5307 11.5307 13.3291 13.3291 13.3304 13.3304 13.5017 13.5017 13.5032 13.5032 14.8904 14.8904 14.8992 14.8992 14.9835 14.9835 14.9932 14.9932 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4986 -50.4986 -24.9560 -24.9560 -24.9560 -24.9560 -24.1355 -24.1355 -24.1355 -24.1355 -24.1341 -24.1341 -24.1341 -24.1341 0.0666 0.0666 0.0666 0.0666 4.6527 4.6527 4.6528 4.6528 6.9117 6.9117 6.9117 6.9117 7.4546 7.4546 7.4546 7.4546 7.9987 7.9987 7.9987 7.9987 11.1739 11.1739 11.1739 11.1739 11.5328 11.5328 11.5328 11.5328 13.3318 13.3318 13.3318 13.3318 13.5047 13.5047 13.5047 13.5047 14.9078 14.9078 14.9078 14.9078 14.9734 14.9734 14.9734 14.9734 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2216 1.2216 1.2541 1.2541 2.1616 2.1616 2.1640 2.1640 6.7328 6.7328 7.2077 7.2077 7.6666 7.6666 7.9389 7.9389 9.5148 9.5148 9.5913 9.5913 10.1914 10.1914 10.2320 10.2320 11.7500 11.7500 11.8084 11.8084 13.1032 13.1032 13.1247 13.1247 13.4954 13.4954 13.6619 13.6619 14.3522 14.3522 15.2968 15.2968 15.6295 15.6295 15.6387 15.6387 k = 0.5000 0.5000 0.0152 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1316 -24.1316 -24.1315 -24.1315 1.2230 1.2230 1.2555 1.2555 2.1627 2.1627 2.1651 2.1651 6.7074 6.7074 7.1425 7.1425 7.7342 7.7342 7.9666 7.9666 9.4951 9.4951 9.5676 9.5676 10.2123 10.2123 10.2489 10.2489 11.7506 11.7506 11.8090 11.8090 13.1056 13.1056 13.1272 13.1272 13.4944 13.4944 13.6597 13.6597 14.3560 14.3560 15.2999 15.2999 15.6316 15.6316 15.6395 15.6395 k = 0.5000 0.5000 0.0303 ( 4100 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1317 -24.1317 -24.1316 -24.1316 1.2272 1.2272 1.2597 1.2597 2.1660 2.1660 2.1684 2.1684 6.6373 6.6373 7.0037 7.0037 7.8804 7.8804 8.0438 8.0438 9.4408 9.4408 9.5043 9.5043 10.2672 10.2672 10.2947 10.2947 11.7526 11.7526 11.8109 11.8109 13.1126 13.1126 13.1344 13.1344 13.4913 13.4913 13.6532 13.6532 14.3675 14.3675 15.3095 15.3095 15.6376 15.6376 15.6400 15.6400 k = 0.5000 0.5000 0.0455 ( 4108 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1393 -24.1393 -24.1392 -24.1392 -24.1317 -24.1317 -24.1316 -24.1316 1.2343 1.2343 1.2666 1.2666 2.1714 2.1714 2.1738 2.1738 6.5352 6.5352 6.8428 6.8428 8.0533 8.0533 8.1575 8.1575 9.3619 9.3619 9.4159 9.4159 10.3417 10.3417 10.3596 10.3596 11.7559 11.7559 11.8139 11.8139 13.1240 13.1240 13.1461 13.1461 13.4862 13.4862 13.6429 13.6429 14.3861 14.3861 15.3252 15.3252 15.6313 15.6313 15.6478 15.6478 k = 0.5000 0.5000 0.0606 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1392 -24.1392 -24.1392 -24.1392 -24.1317 -24.1317 -24.1316 -24.1316 1.2441 1.2441 1.2763 1.2763 2.1790 2.1790 2.1814 2.1814 6.4130 6.4130 6.6755 6.6755 8.2373 8.2373 8.2960 8.2960 9.2673 9.2673 9.3129 9.3129 10.4255 10.4255 10.4350 10.4350 11.7605 11.7605 11.8182 11.8182 13.1394 13.1394 13.1618 13.1618 13.4793 13.4793 13.6293 13.6293 14.4112 14.4112 15.3469 15.3469 15.6076 15.6076 15.6621 15.6621 k = 0.5000 0.5000 0.0758 ( 4116 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9566 -24.9566 -24.9566 -24.9566 -24.1392 -24.1392 -24.1391 -24.1391 -24.1318 -24.1318 -24.1317 -24.1317 1.2568 1.2568 1.2888 1.2888 2.1888 2.1888 2.1911 2.1911 6.2788 6.2788 6.5068 6.5068 8.4275 8.4275 8.4507 8.4507 9.1630 9.1630 9.2013 9.2013 10.5129 10.5129 10.5155 10.5155 11.7663 11.7663 11.8236 11.8236 13.1581 13.1581 13.1810 13.1810 13.4708 13.4708 13.6132 13.6132 14.4421 14.4421 15.3740 15.3740 15.5751 15.5751 15.6805 15.6805 k = 0.5000 0.5000 0.0909 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9566 -24.9566 -24.1392 -24.1392 -24.1391 -24.1391 -24.1318 -24.1318 -24.1317 -24.1317 1.2723 1.2723 1.3040 1.3040 2.2005 2.2005 2.2029 2.2029 6.1377 6.1377 6.3386 6.3386 8.6158 8.6158 8.6216 8.6216 9.0534 9.0534 9.0847 9.0847 10.5976 10.5976 10.6008 10.6008 11.7733 11.7733 11.8302 11.8302 13.1795 13.1795 13.2029 13.2029 13.4609 13.4609 13.5953 13.5953 14.4781 14.4781 15.4055 15.4055 15.5385 15.5385 15.6453 15.6453 k = 0.5000 0.5000 0.1061 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1391 -24.1391 -24.1391 -24.1391 -24.1319 -24.1319 -24.1318 -24.1318 1.2906 1.2906 1.3221 1.3221 2.2143 2.2143 2.2167 2.2167 5.9929 5.9929 6.1718 6.1718 8.7815 8.7815 8.8178 8.8178 8.9474 8.9474 8.9659 8.9659 10.6797 10.6797 10.6876 10.6876 11.7815 11.7815 11.8379 11.8379 13.2028 13.2028 13.2268 13.2268 13.4499 13.4499 13.5761 13.5761 14.5184 14.5184 15.4358 15.4358 15.5051 15.5051 15.5657 15.5657 k = 0.5000 0.5000 0.1212 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1391 -24.1391 -24.1390 -24.1390 -24.1320 -24.1320 -24.1319 -24.1319 1.3118 1.3118 1.3429 1.3429 2.2301 2.2301 2.2324 2.2324 5.8463 5.8463 6.0070 6.0070 8.8013 8.8013 8.8406 8.8406 8.9909 8.9909 9.0211 9.0211 10.7606 10.7606 10.7725 10.7725 11.7909 11.7909 11.8466 11.8466 13.2269 13.2269 13.2515 13.2515 13.4381 13.4381 13.5562 13.5562 14.5625 14.5625 15.4317 15.4317 15.4873 15.4873 15.5092 15.5092 k = 0.5000 0.5000 0.1364 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1390 -24.1390 -24.1390 -24.1390 -24.1321 -24.1321 -24.1320 -24.1320 1.3357 1.3357 1.3665 1.3665 2.2477 2.2477 2.2500 2.2500 5.6993 5.6993 5.8444 5.8444 8.6896 8.6896 8.7187 8.7187 9.1694 9.1694 9.2221 9.2221 10.8396 10.8396 10.8551 10.8551 11.8014 11.8014 11.8563 11.8563 13.2508 13.2508 13.2763 13.2763 13.4259 13.4259 13.5360 13.5360 14.6099 14.6099 15.3938 15.3938 15.4108 15.4108 15.5510 15.5510 k = 0.5000 0.5000 0.1515 ( 4104 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1390 -24.1390 -24.1389 -24.1389 -24.1322 -24.1322 -24.1321 -24.1321 1.3625 1.3625 1.3928 1.3928 2.2671 2.2671 2.2693 2.2693 5.5526 5.5526 5.6842 5.6842 8.5711 8.5711 8.5960 8.5960 9.3580 9.3580 9.4255 9.4255 10.9167 10.9167 10.9350 10.9350 11.8129 11.8129 11.8669 11.8669 13.2735 13.2735 13.3002 13.3002 13.4136 13.4136 13.5158 13.5158 14.6601 14.6601 15.3366 15.3366 15.3504 15.3504 15.6029 15.6029 k = 0.5000 0.5000 0.1667 ( 4112 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9567 -24.9567 -24.9567 -24.9567 -24.1389 -24.1389 -24.1389 -24.1389 -24.1323 -24.1323 -24.1322 -24.1322 1.3921 1.3921 1.4220 1.4220 2.2881 2.2881 2.2903 2.2903 5.4068 5.4068 5.5265 5.5265 8.4518 8.4518 8.4737 8.4737 9.5509 9.5509 9.6304 9.6304 10.9915 10.9915 11.0123 11.0123 11.8253 11.8253 11.8784 11.8784 13.2938 13.2938 13.3222 13.3222 13.4017 13.4017 13.4959 13.4959 14.7128 14.7128 15.2653 15.2653 15.3065 15.3065 15.6602 15.6602 k = 0.5000 0.5000 0.1818 ( 4100 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1389 -24.1389 -24.1388 -24.1388 -24.1324 -24.1324 -24.1324 -24.1324 1.4245 1.4245 1.4539 1.4539 2.3107 2.3107 2.3129 2.3129 5.2623 5.2623 5.3714 5.3714 8.3329 8.3329 8.3524 8.3524 9.7468 9.7468 9.8364 9.8364 11.0642 11.0642 11.0872 11.0872 11.8386 11.8386 11.8907 11.8907 13.3103 13.3103 13.3415 13.3415 13.3910 13.3910 13.4765 13.4765 14.7674 14.7674 15.1973 15.1973 15.2636 15.2636 15.7220 15.7220 k = 0.5000 0.5000 0.1970 ( 4108 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1388 -24.1388 -24.1387 -24.1387 -24.1326 -24.1326 -24.1325 -24.1325 1.4598 1.4598 1.4886 1.4886 2.3347 2.3347 2.3369 2.3369 5.1195 5.1195 5.2189 5.2189 8.2152 8.2152 8.2327 8.2327 9.9450 9.9450 10.0429 10.0429 11.1349 11.1349 11.1596 11.1596 11.8527 11.8527 11.9036 11.9036 13.3211 13.3211 13.3575 13.3575 13.3829 13.3829 13.4578 13.4578 14.8234 14.8234 15.1331 15.1331 15.2225 15.2225 15.7877 15.7877 k = 0.5000 0.5000 0.2121 ( 4108 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1387 -24.1387 -24.1386 -24.1386 -24.1327 -24.1327 -24.1326 -24.1326 1.4979 1.4979 1.5260 1.5260 2.3600 2.3600 2.3621 2.3621 4.9786 4.9786 5.0692 5.0692 8.0992 8.0992 8.1150 8.1150 10.1449 10.1449 10.2496 10.2496 11.2037 11.2037 11.2299 11.2299 11.8675 11.8675 11.9171 11.9171 13.3246 13.3246 13.3695 13.3695 13.3786 13.3786 13.4399 13.4399 14.8795 14.8795 15.0742 15.0742 15.1840 15.1840 15.8569 15.8569 k = 0.5000 0.5000 0.2273 ( 4108 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9568 -24.9568 -24.9568 -24.9568 -24.1386 -24.1386 -24.1386 -24.1386 -24.1329 -24.1329 -24.1328 -24.1328 1.5388 1.5388 1.5663 1.5663 2.3864 2.3864 2.3884 2.3884 4.8397 4.8397 4.9222 4.9222 7.9854 7.9854 7.9997 7.9997 10.3460 10.3460 10.4561 10.4561 11.2708 11.2708 11.2981 11.2981 11.8829 11.8829 11.9311 11.9311 13.3212 13.3212 13.3771 13.3771 13.3775 13.3775 13.4228 13.4228 14.9297 14.9297 15.0266 15.0266 15.1486 15.1486 15.9288 15.9288 k = 0.5000 0.5000 0.2424 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1385 -24.1385 -24.1385 -24.1385 -24.1330 -24.1330 -24.1329 -24.1329 1.5826 1.5826 1.6093 1.6093 2.4137 2.4137 2.4157 2.4157 4.7030 4.7030 4.7780 4.7780 7.8744 7.8744 7.8873 7.8873 10.5478 10.5478 10.6617 10.6617 11.3363 11.3363 11.3644 11.3644 11.8987 11.8987 11.9454 11.9454 13.3136 13.3136 13.3765 13.3765 13.3799 13.3799 13.4070 13.4070 14.9360 14.9360 15.0285 15.0285 15.1171 15.1171 15.9705 15.9705 k = 0.5000 0.5000 0.2576 ( 4120 PWs) bands (ev): -50.4986 -50.4986 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1384 -24.1384 -24.1384 -24.1384 -24.1332 -24.1332 -24.1331 -24.1331 1.6292 1.6292 1.6550 1.6550 2.4417 2.4417 2.4436 2.4436 4.5685 4.5685 4.6366 4.6366 7.7664 7.7664 7.7781 7.7781 10.7498 10.7498 10.8658 10.8658 11.4003 11.4003 11.4290 11.4290 11.9149 11.9149 11.9600 11.9600 13.3042 13.3042 13.3734 13.3734 13.3771 13.3771 13.3930 13.3930 14.8986 14.8986 15.0799 15.0799 15.0900 15.0900 15.9690 15.9690 k = 0.5000 0.5000 0.2727 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1383 -24.1383 -24.1383 -24.1383 -24.1333 -24.1333 -24.1333 -24.1333 1.6787 1.6787 1.7036 1.7036 2.4702 2.4702 2.4720 2.4720 4.4364 4.4364 4.4980 4.4980 7.6621 7.6621 7.6727 7.6727 10.9513 10.9513 11.0676 11.0676 11.4629 11.4629 11.4920 11.4920 11.9314 11.9314 11.9747 11.9747 13.2942 13.2942 13.3671 13.3671 13.3683 13.3683 13.3813 13.3813 14.8585 14.8585 15.0682 15.0682 15.1400 15.1400 15.9582 15.9582 k = 0.5000 0.5000 0.2879 ( 4116 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9569 -24.9569 -24.9569 -24.9569 -24.1382 -24.1382 -24.1382 -24.1382 -24.1335 -24.1335 -24.1335 -24.1335 1.7310 1.7310 1.7549 1.7549 2.4989 2.4989 2.5007 2.5007 4.3067 4.3067 4.3623 4.3623 7.5617 7.5617 7.5713 7.5713 11.1516 11.1516 11.2663 11.2663 11.5243 11.5243 11.5535 11.5535 11.9479 11.9479 11.9893 11.9893 13.2841 13.2841 13.3557 13.3557 13.3573 13.3573 13.3697 13.3697 14.8229 14.8229 15.0524 15.0524 15.2022 15.2022 15.9405 15.9405 k = 0.5000 0.5000 0.3030 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9569 -24.9569 -24.1381 -24.1381 -24.1380 -24.1380 -24.1337 -24.1337 -24.1336 -24.1336 1.7862 1.7862 1.8090 1.8090 2.5276 2.5276 2.5294 2.5294 4.1795 4.1795 4.2294 4.2294 7.4657 7.4657 7.4744 7.4744 11.3496 11.3496 11.4607 11.4607 11.5843 11.5843 11.6133 11.6133 11.9644 11.9644 12.0039 12.0039 13.2739 13.2739 13.3418 13.3418 13.3441 13.3441 13.3560 13.3560 14.7936 14.7936 15.0434 15.0434 15.2648 15.2648 15.9176 15.9176 k = 0.5000 0.5000 0.3182 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1379 -24.1379 -24.1379 -24.1379 -24.1339 -24.1339 -24.1338 -24.1338 1.8442 1.8442 1.8659 1.8659 2.5561 2.5561 2.5577 2.5577 4.0548 4.0548 4.0993 4.0993 7.3746 7.3746 7.3824 7.3824 11.5441 11.5441 11.6434 11.6434 11.6494 11.6494 11.6718 11.6718 11.9808 11.9808 12.0183 12.0183 13.2636 13.2636 13.3267 13.3267 13.3279 13.3279 13.3402 13.3402 14.7720 14.7720 15.0421 15.0421 15.3272 15.3272 15.8911 15.8912 k = 0.5000 0.5000 0.3333 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1378 -24.1378 -24.1378 -24.1378 -24.1340 -24.1340 -24.1340 -24.1340 1.9050 1.9050 1.9255 1.9255 2.5840 2.5840 2.5855 2.5855 3.9327 3.9327 3.9722 3.9722 7.2886 7.2886 7.2956 7.2956 11.6976 11.6976 11.7280 11.7280 11.7372 11.7372 11.8311 11.8311 11.9971 11.9971 12.0329 12.0329 13.2527 13.2527 13.3088 13.3088 13.3095 13.3095 13.3243 13.3243 14.7593 14.7593 15.0494 15.0494 15.3888 15.3888 15.8627 15.8628 k = 0.5000 0.5000 0.3485 ( 4112 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1377 -24.1377 -24.1377 -24.1377 -24.1342 -24.1342 -24.1342 -24.1342 1.9688 1.9688 1.9879 1.9879 2.6109 2.6109 2.6124 2.6124 3.8131 3.8131 3.8479 3.8479 7.2083 7.2083 7.2146 7.2146 11.7546 11.7546 11.7827 11.7827 11.9185 11.9185 11.9973 11.9973 12.0142 12.0142 12.0539 12.0539 13.2405 13.2405 13.2871 13.2871 13.2900 13.2900 13.3096 13.3096 14.7572 14.7572 15.0664 15.0664 15.4488 15.4488 15.8337 15.8337 k = 0.5000 0.5000 0.3636 ( 4112 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9570 -24.9570 -24.9570 -24.9570 -24.1375 -24.1375 -24.1375 -24.1375 -24.1344 -24.1344 -24.1344 -24.1344 2.0353 2.0353 2.0531 2.0531 2.6367 2.6367 2.6381 2.6381 3.6962 3.6962 3.7265 3.7265 7.1341 7.1341 7.1396 7.1396 11.8083 11.8083 11.8351 11.8351 12.0228 12.0228 12.0513 12.0513 12.1013 12.1013 12.1768 12.1768 13.2257 13.2257 13.2624 13.2624 13.2710 13.2710 13.2955 13.2955 14.7674 14.7674 15.0937 15.0937 15.5063 15.5063 15.8049 15.8049 k = 0.5000 0.5000 0.3788 ( 4116 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1374 -24.1374 -24.1374 -24.1374 -24.1346 -24.1346 -24.1346 -24.1346 2.1048 2.1048 2.1210 2.1210 2.6610 2.6610 2.6622 2.6622 3.5818 3.5818 3.6080 3.6080 7.0664 7.0664 7.0712 7.0712 11.8595 11.8595 11.8848 11.8848 12.0389 12.0389 12.0645 12.0645 12.2662 12.2662 12.3283 12.3283 13.2072 13.2072 13.2359 13.2359 13.2541 13.2541 13.2812 13.2812 14.7917 14.7917 15.1320 15.1320 15.5605 15.5605 15.7775 15.7775 k = 0.5000 0.5000 0.3939 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1372 -24.1372 -24.1372 -24.1372 -24.1348 -24.1348 -24.1348 -24.1348 2.1771 2.1771 2.1918 2.1918 2.6834 2.6834 2.6844 2.6844 3.4702 3.4702 3.4924 3.4924 7.0055 7.0055 7.0097 7.0097 11.9079 11.9079 11.9315 11.9315 12.0522 12.0522 12.0750 12.0750 12.4211 12.4211 12.4688 12.4688 13.1855 13.1855 13.2085 13.2085 13.2393 13.2393 13.2661 13.2661 14.8323 14.8323 15.1814 15.1814 15.6101 15.6101 15.7519 15.7519 k = 0.5000 0.5000 0.4091 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1371 -24.1371 -24.1371 -24.1371 -24.1350 -24.1350 -24.1350 -24.1350 2.2523 2.2523 2.2652 2.2652 2.7035 2.7035 2.7045 2.7045 3.3612 3.3612 3.3796 3.3796 6.9518 6.9518 6.9554 6.9554 11.9529 11.9529 11.9743 11.9743 12.0641 12.0641 12.0840 12.0840 12.5623 12.5623 12.5960 12.5960 13.1622 13.1622 13.1813 13.1813 13.2253 13.2253 13.2497 13.2497 14.8910 14.8910 15.2413 15.2413 15.6535 15.6535 15.7290 15.7290 k = 0.5000 0.5000 0.4242 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1369 -24.1369 -24.1369 -24.1369 -24.1352 -24.1352 -24.1351 -24.1351 2.3304 2.3304 2.3415 2.3415 2.7213 2.7213 2.7221 2.7221 3.2549 3.2549 3.2698 3.2698 6.9058 6.9058 6.9087 6.9087 11.9937 11.9937 12.0126 12.0126 12.0746 12.0746 12.0914 12.0914 12.6880 12.6880 12.7093 12.7093 13.1392 13.1392 13.1551 13.1551 13.2105 13.2105 13.2312 13.2312 14.9696 14.9696 15.3100 15.3100 15.6888 15.6888 15.7090 15.7090 k = 0.5000 0.5000 0.4394 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1368 -24.1368 -24.1368 -24.1368 -24.1353 -24.1353 -24.1353 -24.1353 2.4113 2.4113 2.4204 2.4204 2.7362 2.7362 2.7368 2.7368 3.1513 3.1513 3.1629 3.1629 6.8677 6.8677 6.8700 6.8700 12.0296 12.0296 12.0455 12.0455 12.0838 12.0838 12.0973 12.0973 12.7972 12.7972 12.8083 12.8083 13.1181 13.1181 13.1311 13.1311 13.1938 13.1938 13.2100 13.2100 15.0689 15.0689 15.3850 15.3850 15.6925 15.6925 15.6978 15.6978 k = 0.5000 0.5000 0.4545 ( 4128 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1366 -24.1366 -24.1366 -24.1366 -24.1355 -24.1355 -24.1355 -24.1355 2.4951 2.4951 2.5022 2.5022 2.7481 2.7481 2.7486 2.7486 3.0504 3.0504 3.0588 3.0588 6.8378 6.8378 6.8396 6.8396 12.0595 12.0595 12.0719 12.0719 12.0914 12.0914 12.1016 12.1016 12.8897 12.8897 12.8936 12.8936 13.1004 13.1004 13.1103 13.1103 13.1737 13.1737 13.1852 13.1852 15.1888 15.1888 15.4621 15.4621 15.6797 15.6797 15.6827 15.6827 k = 0.5000 0.5000 0.4697 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1364 -24.1364 -24.1364 -24.1364 -24.1357 -24.1357 -24.1357 -24.1357 2.5818 2.5818 2.5867 2.5867 2.7568 2.7568 2.7571 2.7571 2.9522 2.9522 2.9577 2.9577 6.8164 6.8164 6.8175 6.8175 12.0824 12.0824 12.0910 12.0910 12.0974 12.0974 12.1043 12.1043 12.9662 12.9662 12.9662 12.9662 13.0872 13.0872 13.0940 13.0940 13.1488 13.1488 13.1558 13.1558 15.3284 15.3284 15.5363 15.5363 15.6709 15.6709 15.6710 15.6710 k = 0.5000 0.5000 0.4848 ( 4120 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1363 -24.1363 -24.1363 -24.1363 -24.1359 -24.1359 -24.1359 -24.1359 2.6713 2.6713 2.6738 2.6738 2.7621 2.7621 2.7623 2.7623 2.8568 2.8568 2.8595 2.8595 6.8036 6.8036 6.8041 6.8041 12.0975 12.0975 12.1017 12.1017 12.1019 12.1019 12.1051 12.1051 13.0272 13.0272 13.0284 13.0284 13.0796 13.0796 13.0830 13.0830 13.1176 13.1176 13.1205 13.1205 15.4855 15.4855 15.6014 15.6014 15.6617 15.6617 15.6668 15.6668 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -50.4985 -50.4985 -50.4985 -50.4985 -24.9571 -24.9571 -24.9571 -24.9571 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 -24.1361 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7611 2.7697 2.7697 2.7697 2.7697 6.7995 6.7995 6.7995 6.7995 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 12.1043 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0781 13.0784 13.0784 13.0784 13.0784 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 15.6465 Writing output data file VGe3.save init_run : 0.46s CPU 0.62s WALL ( 1 calls) electrons : 230.03s CPU 233.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 230.02s CPU 233.32s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 257 calls) cegterg : 216.95s CPU 219.77s WALL ( 694 calls) Called by sum_band: Called by *egterg: h_psi : 108.28s CPU 109.77s WALL ( 12480 calls) s_psi : 5.93s CPU 6.12s WALL ( 12480 calls) g_psi : 0.32s CPU 0.29s WALL ( 11529 calls) cdiaghg : 89.54s CPU 90.86s WALL ( 11786 calls) cegterg:over : 8.34s CPU 8.16s WALL ( 11529 calls) cegterg:upda : 8.54s CPU 8.63s WALL ( 11529 calls) cegterg:last : 3.73s CPU 3.67s WALL ( 1462 calls) cdiaghg:chol : 5.03s CPU 5.10s WALL ( 11786 calls) cdiaghg:inve : 3.38s CPU 3.36s WALL ( 11786 calls) cdiaghg:para : 5.67s CPU 5.46s WALL ( 23572 calls) Called by h_psi: h_psi:vloc : 92.51s CPU 93.94s WALL ( 12480 calls) h_psi:vnl : 15.37s CPU 15.50s WALL ( 12480 calls) add_vuspsi : 7.85s CPU 7.59s WALL ( 12480 calls) General routines calbec : 7.50s CPU 7.88s WALL ( 12480 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 80.79s CPU 82.01s WALL ( 1006724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 514 calls) Parallel routines fft_scatter : 31.28s CPU 31.47s WALL ( 1006747 calls) PWSCF : 4m 4.30s CPU 4m16.16s WALL This run was terminated on: 19: 9:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=