Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:10:46 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: ./CO2.save/ 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 77 44 13 3095 1340 207 Max 78 45 14 3100 1361 211 Sum 2801 1609 473 111539 48693 7521 bravais-lattice index = 14 lattice parameter (alat) = 10.3825 a.u. unit-cell volume = 1119.2057 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.382533 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (18 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 111539 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 48693 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 334, 76) NL pseudopotentials 0.43 Mb ( 167, 168) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3097) G-vector shells 0.00 Mb ( 595) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.55 Mb ( 334, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.6 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.9 secs Computing kpt #: 14 total cpu time spent up to now is 18.2 secs Computing kpt #: 15 total cpu time spent up to now is 19.5 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 22.1 secs Computing kpt #: 18 total cpu time spent up to now is 23.5 secs Computing kpt #: 19 total cpu time spent up to now is 24.8 secs Computing kpt #: 20 total cpu time spent up to now is 26.1 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 29.0 secs Computing kpt #: 23 total cpu time spent up to now is 30.4 secs Computing kpt #: 24 total cpu time spent up to now is 31.8 secs Computing kpt #: 25 total cpu time spent up to now is 33.2 secs Computing kpt #: 26 total cpu time spent up to now is 34.7 secs Computing kpt #: 27 total cpu time spent up to now is 36.1 secs Computing kpt #: 28 total cpu time spent up to now is 37.6 secs Computing kpt #: 29 total cpu time spent up to now is 39.2 secs Computing kpt #: 30 total cpu time spent up to now is 40.8 secs Computing kpt #: 31 total cpu time spent up to now is 42.4 secs Computing kpt #: 32 total cpu time spent up to now is 44.0 secs Computing kpt #: 33 total cpu time spent up to now is 45.5 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.9 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 37 total cpu time spent up to now is 53.3 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.0 secs Computing kpt #: 39 total cpu time spent up to now is 57.6 secs Computing kpt #: 40 total cpu time spent up to now is 59.9 secs Computing kpt #: 41 total cpu time spent up to now is 61.3 secs Computing kpt #: 42 total cpu time spent up to now is 62.8 secs Computing kpt #: 43 total cpu time spent up to now is 65.1 secs Computing kpt #: 44 total cpu time spent up to now is 66.5 secs Computing kpt #: 45 total cpu time spent up to now is 68.7 secs Computing kpt #: 46 total cpu time spent up to now is 70.9 secs Computing kpt #: 47 total cpu time spent up to now is 73.5 secs Computing kpt #: 48 total cpu time spent up to now is 75.3 secs Computing kpt #: 49 total cpu time spent up to now is 76.8 secs Computing kpt #: 50 total cpu time spent up to now is 79.4 secs Computing kpt #: 51 total cpu time spent up to now is 80.9 secs Computing kpt #: 52 total cpu time spent up to now is 82.5 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.5 secs Computing kpt #: 54 total cpu time spent up to now is 87.1 secs Computing kpt #: 55 total cpu time spent up to now is 88.7 secs Computing kpt #: 56 total cpu time spent up to now is 90.4 secs Computing kpt #: 57 total cpu time spent up to now is 92.0 secs Computing kpt #: 58 total cpu time spent up to now is 93.6 secs Computing kpt #: 59 total cpu time spent up to now is 95.2 secs Computing kpt #: 60 total cpu time spent up to now is 97.0 secs Computing kpt #: 61 total cpu time spent up to now is 98.6 secs Computing kpt #: 62 total cpu time spent up to now is 100.2 secs Computing kpt #: 63 total cpu time spent up to now is 101.7 secs Computing kpt #: 64 total cpu time spent up to now is 103.4 secs Computing kpt #: 65 total cpu time spent up to now is 104.8 secs Computing kpt #: 66 total cpu time spent up to now is 106.3 secs Computing kpt #: 67 total cpu time spent up to now is 107.8 secs Computing kpt #: 68 total cpu time spent up to now is 109.3 secs Computing kpt #: 69 total cpu time spent up to now is 110.8 secs Computing kpt #: 70 total cpu time spent up to now is 112.3 secs Computing kpt #: 71 total cpu time spent up to now is 113.9 secs Computing kpt #: 72 total cpu time spent up to now is 115.4 secs Computing kpt #: 73 total cpu time spent up to now is 116.4 secs Computing kpt #: 74 total cpu time spent up to now is 117.5 secs Computing kpt #: 75 total cpu time spent up to now is 119.0 secs Computing kpt #: 76 total cpu time spent up to now is 120.5 secs Computing kpt #: 77 total cpu time spent up to now is 122.0 secs Computing kpt #: 78 total cpu time spent up to now is 123.4 secs Computing kpt #: 79 total cpu time spent up to now is 125.0 secs Computing kpt #: 80 total cpu time spent up to now is 126.5 secs Computing kpt #: 81 total cpu time spent up to now is 127.9 secs Computing kpt #: 82 total cpu time spent up to now is 129.3 secs Computing kpt #: 83 total cpu time spent up to now is 130.8 secs Computing kpt #: 84 total cpu time spent up to now is 132.2 secs Computing kpt #: 85 total cpu time spent up to now is 133.6 secs Computing kpt #: 86 total cpu time spent up to now is 134.9 secs Computing kpt #: 87 total cpu time spent up to now is 136.2 secs Computing kpt #: 88 total cpu time spent up to now is 137.5 secs Computing kpt #: 89 total cpu time spent up to now is 138.7 secs Computing kpt #: 90 total cpu time spent up to now is 140.0 secs Computing kpt #: 91 total cpu time spent up to now is 141.2 secs Computing kpt #: 92 total cpu time spent up to now is 142.4 secs Computing kpt #: 93 total cpu time spent up to now is 143.7 secs Computing kpt #: 94 total cpu time spent up to now is 144.9 secs Computing kpt #: 95 total cpu time spent up to now is 146.0 secs Computing kpt #: 96 total cpu time spent up to now is 147.3 secs Computing kpt #: 97 total cpu time spent up to now is 148.5 secs Computing kpt #: 98 total cpu time spent up to now is 149.7 secs Computing kpt #: 99 total cpu time spent up to now is 150.9 secs Computing kpt #: 100 total cpu time spent up to now is 152.1 secs Computing kpt #: 101 total cpu time spent up to now is 153.2 secs Computing kpt #: 102 total cpu time spent up to now is 154.5 secs Computing kpt #: 103 total cpu time spent up to now is 155.6 secs Computing kpt #: 104 total cpu time spent up to now is 156.8 secs Computing kpt #: 105 total cpu time spent up to now is 158.0 secs Computing kpt #: 106 total cpu time spent up to now is 159.2 secs Computing kpt #: 107 total cpu time spent up to now is 160.4 secs Computing kpt #: 108 total cpu time spent up to now is 161.6 secs Computing kpt #: 109 total cpu time spent up to now is 162.8 secs Computing kpt #: 110 total cpu time spent up to now is 164.0 secs Computing kpt #: 111 total cpu time spent up to now is 165.2 secs Computing kpt #: 112 total cpu time spent up to now is 166.5 secs Computing kpt #: 113 total cpu time spent up to now is 167.8 secs Computing kpt #: 114 total cpu time spent up to now is 169.0 secs Computing kpt #: 115 total cpu time spent up to now is 170.3 secs Computing kpt #: 116 total cpu time spent up to now is 171.6 secs Computing kpt #: 117 total cpu time spent up to now is 172.9 secs Computing kpt #: 118 total cpu time spent up to now is 174.3 secs Computing kpt #: 119 total cpu time spent up to now is 175.7 secs Computing kpt #: 120 total cpu time spent up to now is 177.1 secs Computing kpt #: 121 total cpu time spent up to now is 178.4 secs Computing kpt #: 122 total cpu time spent up to now is 179.9 secs Computing kpt #: 123 total cpu time spent up to now is 181.4 secs Computing kpt #: 124 total cpu time spent up to now is 182.9 secs Computing kpt #: 125 total cpu time spent up to now is 184.3 secs Computing kpt #: 126 total cpu time spent up to now is 186.1 secs Computing kpt #: 127 total cpu time spent up to now is 187.6 secs Computing kpt #: 128 total cpu time spent up to now is 189.1 secs Computing kpt #: 129 total cpu time spent up to now is 190.5 secs Computing kpt #: 130 total cpu time spent up to now is 192.2 secs Computing kpt #: 131 total cpu time spent up to now is 193.7 secs Computing kpt #: 132 total cpu time spent up to now is 195.2 secs Computing kpt #: 133 total cpu time spent up to now is 196.8 secs Computing kpt #: 134 total cpu time spent up to now is 198.3 secs Computing kpt #: 135 total cpu time spent up to now is 199.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.7 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.4 secs Computing kpt #: 138 total cpu time spent up to now is 207.7 secs Computing kpt #: 139 total cpu time spent up to now is 210.3 secs Computing kpt #: 140 total cpu time spent up to now is 212.2 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.9 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.8 secs Computing kpt #: 149 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.7 secs Computing kpt #: 151 total cpu time spent up to now is 243.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.1 secs Computing kpt #: 153 total cpu time spent up to now is 247.2 secs Computing kpt #: 154 total cpu time spent up to now is 248.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.1 secs Computing kpt #: 156 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 254.0 secs Computing kpt #: 157 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 256.9 secs Computing kpt #: 158 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.8 secs Computing kpt #: 160 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 265.7 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.6 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.4 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.3 secs Computing kpt #: 164 total cpu time spent up to now is 275.9 secs Computing kpt #: 165 total cpu time spent up to now is 278.3 secs Computing kpt #: 166 total cpu time spent up to now is 280.0 secs Computing kpt #: 167 total cpu time spent up to now is 282.2 secs Computing kpt #: 168 total cpu time spent up to now is 284.1 secs Computing kpt #: 169 total cpu time spent up to now is 285.7 secs Computing kpt #: 170 total cpu time spent up to now is 287.3 secs Computing kpt #: 171 total cpu time spent up to now is 289.2 secs Computing kpt #: 172 total cpu time spent up to now is 290.7 secs Computing kpt #: 173 total cpu time spent up to now is 292.1 secs Computing kpt #: 174 total cpu time spent up to now is 294.0 secs Computing kpt #: 175 total cpu time spent up to now is 295.4 secs Computing kpt #: 176 total cpu time spent up to now is 296.8 secs Computing kpt #: 177 total cpu time spent up to now is 298.3 secs Computing kpt #: 178 total cpu time spent up to now is 299.6 secs Computing kpt #: 179 total cpu time spent up to now is 301.0 secs Computing kpt #: 180 total cpu time spent up to now is 302.6 secs Computing kpt #: 181 total cpu time spent up to now is 304.0 secs Computing kpt #: 182 total cpu time spent up to now is 305.4 secs Computing kpt #: 183 total cpu time spent up to now is 306.8 secs Computing kpt #: 184 total cpu time spent up to now is 308.2 secs Computing kpt #: 185 total cpu time spent up to now is 309.7 secs Computing kpt #: 186 total cpu time spent up to now is 311.1 secs Computing kpt #: 187 total cpu time spent up to now is 312.5 secs Computing kpt #: 188 total cpu time spent up to now is 313.9 secs Computing kpt #: 189 total cpu time spent up to now is 315.4 secs Computing kpt #: 190 total cpu time spent up to now is 316.8 secs Computing kpt #: 191 total cpu time spent up to now is 318.3 secs Computing kpt #: 192 total cpu time spent up to now is 319.7 secs Computing kpt #: 193 total cpu time spent up to now is 321.2 secs Computing kpt #: 194 total cpu time spent up to now is 322.8 secs Computing kpt #: 195 total cpu time spent up to now is 324.4 secs Computing kpt #: 196 total cpu time spent up to now is 325.9 secs Computing kpt #: 197 total cpu time spent up to now is 327.5 secs Computing kpt #: 198 total cpu time spent up to now is 329.2 secs Computing kpt #: 199 total cpu time spent up to now is 330.7 secs Computing kpt #: 200 total cpu time spent up to now is 332.2 secs Computing kpt #: 201 total cpu time spent up to now is 333.8 secs Computing kpt #: 202 total cpu time spent up to now is 335.3 secs Computing kpt #: 203 total cpu time spent up to now is 336.8 secs Computing kpt #: 204 total cpu time spent up to now is 338.4 secs Computing kpt #: 205 total cpu time spent up to now is 339.9 secs Computing kpt #: 206 total cpu time spent up to now is 341.5 secs Computing kpt #: 207 total cpu time spent up to now is 343.1 secs Computing kpt #: 208 total cpu time spent up to now is 344.6 secs Computing kpt #: 209 total cpu time spent up to now is 346.2 secs Computing kpt #: 210 total cpu time spent up to now is 347.7 secs Computing kpt #: 211 total cpu time spent up to now is 349.3 secs Computing kpt #: 212 total cpu time spent up to now is 350.9 secs Computing kpt #: 213 total cpu time spent up to now is 352.5 secs Computing kpt #: 214 total cpu time spent up to now is 354.3 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.2 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.0 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.7 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.5 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.1 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.8 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.5 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.2 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.9 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.5 secs Computing kpt #: 225 total cpu time spent up to now is 382.5 secs ethr = 1.56E-08, avg # of iterations = 53.8 total cpu time spent up to now is 382.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -22.5426 -22.5426 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.3463 -21.3463 -6.8236 -6.8236 -6.8231 -6.8231 -6.8231 -6.8231 -6.6447 -6.6447 -6.5718 -6.5718 -6.5709 -6.5709 -6.5709 -6.5709 -5.8414 -5.8414 -5.8414 -5.8414 -5.6075 -5.6075 -5.6045 -5.6045 -5.6045 -5.6045 -5.5142 -5.5142 -5.0986 -5.0986 -5.0766 -5.0766 -5.0766 -5.0766 -2.5431 -2.5431 -2.5257 -2.5257 -2.5257 -2.5257 -1.9211 -1.9211 -1.9052 -1.9052 -1.9052 -1.9052 -1.6917 -1.6917 -1.6917 -1.6917 5.3574 5.3574 6.6237 6.6237 6.6348 6.6348 6.6348 6.6348 6.9166 6.9166 6.9166 6.9166 k = 0.0000 0.0172-0.0000 ( 6043 PWs) bands (ev): -22.5424 -22.5424 -22.2957 -22.2957 -22.2955 -22.2955 -22.2955 -22.2955 -21.4082 -21.4082 -21.4082 -21.4082 -21.4081 -21.4081 -21.3463 -21.3463 -6.8249 -6.8249 -6.8243 -6.8243 -6.8236 -6.8236 -6.6485 -6.6485 -6.5698 -6.5698 -6.5688 -6.5688 -6.5672 -6.5672 -5.8415 -5.8415 -5.8409 -5.8409 -5.6077 -5.6077 -5.6049 -5.6049 -5.6043 -5.6043 -5.5145 -5.5145 -5.0991 -5.0991 -5.0773 -5.0773 -5.0770 -5.0770 -2.5424 -2.5424 -2.5251 -2.5251 -2.5250 -2.5250 -1.9211 -1.9211 -1.9054 -1.9054 -1.9051 -1.9051 -1.6923 -1.6923 -1.6918 -1.6918 5.3594 5.3594 6.6239 6.6239 6.6347 6.6347 6.6354 6.6354 6.9156 6.9156 6.9168 6.9168 k = 0.0000 0.0345-0.0000 ( 6051 PWs) bands (ev): -22.5419 -22.5419 -22.2963 -22.2963 -22.2955 -22.2955 -22.2955 -22.2955 -21.4081 -21.4081 -21.4081 -21.4081 -21.4080 -21.4080 -21.3465 -21.3465 -6.8294 -6.8294 -6.8274 -6.8274 -6.8248 -6.8248 -6.6581 -6.6581 -6.5649 -6.5649 -6.5619 -6.5619 -6.5573 -6.5573 -5.8419 -5.8419 -5.8394 -5.8394 -5.6087 -5.6087 -5.6061 -5.6061 -5.6032 -5.6032 -5.5153 -5.5153 -5.1008 -5.1008 -5.0795 -5.0795 -5.0781 -5.0781 -2.5405 -2.5405 -2.5231 -2.5231 -2.5230 -2.5230 -1.9212 -1.9212 -1.9059 -1.9059 -1.9047 -1.9047 -1.6939 -1.6939 -1.6921 -1.6921 5.3653 5.3653 6.6243 6.6243 6.6348 6.6348 6.6373 6.6373 6.9127 6.9127 6.9173 6.9173 k = 0.0000 0.0517-0.0000 ( 6075 PWs) bands (ev): -22.5411 -22.5411 -22.2973 -22.2973 -22.2955 -22.2955 -22.2955 -22.2955 -21.4081 -21.4081 -21.4080 -21.4080 -21.4078 -21.4078 -21.3467 -21.3467 -6.8365 -6.8365 -6.8324 -6.8324 -6.8267 -6.8267 -6.6709 -6.6709 -6.5573 -6.5573 -6.5509 -6.5509 -6.5440 -6.5440 -5.8425 -5.8425 -5.8370 -5.8370 -5.6108 -5.6108 -5.6080 -5.6080 -5.6011 -5.6011 -5.5166 -5.5166 -5.1038 -5.1038 -5.0830 -5.0830 -5.0800 -5.0800 -2.5372 -2.5372 -2.5199 -2.5199 -2.5197 -2.5197 -1.9215 -1.9215 -1.9068 -1.9068 -1.9040 -1.9040 -1.6967 -1.6967 -1.6925 -1.6925 5.3753 5.3753 6.6239 6.6239 6.6357 6.6357 6.6404 6.6404 6.9077 6.9077 6.9181 6.9181 k = 0.0000 0.0690-0.0000 ( 6083 PWs) bands (ev): -22.5399 -22.5399 -22.2987 -22.2987 -22.2955 -22.2955 -22.2955 -22.2955 -21.4080 -21.4080 -21.4079 -21.4079 -21.4075 -21.4075 -21.3470 -21.3470 -6.8455 -6.8455 -6.8388 -6.8388 -6.8294 -6.8294 -6.6851 -6.6851 -6.5472 -6.5472 -6.5365 -6.5365 -6.5289 -6.5289 -5.8434 -5.8434 -5.8337 -5.8337 -5.6140 -5.6140 -5.6103 -5.6103 -5.5980 -5.5980 -5.5184 -5.5184 -5.1082 -5.1082 -5.0876 -5.0876 -5.0826 -5.0826 -2.5326 -2.5326 -2.5155 -2.5155 -2.5151 -2.5151 -1.9221 -1.9221 -1.9080 -1.9080 -1.9029 -1.9029 -1.7005 -1.7005 -1.6931 -1.6931 5.3892 5.3892 6.6221 6.6221 6.6383 6.6383 6.6449 6.6449 6.9009 6.9009 6.9193 6.9193 k = 0.0000 0.0862-0.0000 ( 6095 PWs) bands (ev): -22.5384 -22.5384 -22.3005 -22.3005 -22.2955 -22.2955 -22.2955 -22.2955 -21.4079 -21.4079 -21.4078 -21.4078 -21.4071 -21.4071 -21.3474 -21.3474 -6.8557 -6.8557 -6.8463 -6.8463 -6.8328 -6.8328 -6.7000 -6.7000 -6.5349 -6.5349 -6.5192 -6.5192 -6.5129 -6.5129 -5.8445 -5.8445 -5.8296 -5.8296 -5.6183 -5.6183 -5.6133 -5.6133 -5.5939 -5.5939 -5.5205 -5.5205 -5.1142 -5.1142 -5.0930 -5.0930 -5.0860 -5.0860 -2.5269 -2.5269 -2.5098 -2.5098 -2.5092 -2.5092 -1.9230 -1.9230 -1.9095 -1.9095 -1.9013 -1.9013 -1.7054 -1.7054 -1.6939 -1.6939 5.4070 5.4070 6.6189 6.6189 6.6423 6.6423 6.6507 6.6507 6.8923 6.8923 6.9208 6.9208 k = 0.0000 0.1034-0.0000 ( 6099 PWs) bands (ev): -22.5366 -22.5366 -22.3026 -22.3026 -22.2955 -22.2955 -22.2955 -22.2955 -21.4078 -21.4078 -21.4077 -21.4077 -21.4066 -21.4066 -21.3479 -21.3479 -6.8668 -6.8668 -6.8546 -6.8546 -6.8368 -6.8368 -6.7153 -6.7153 -6.5208 -6.5208 -6.4996 -6.4996 -6.4962 -6.4962 -5.8459 -5.8459 -5.8248 -5.8248 -5.6237 -5.6237 -5.6167 -5.6167 -5.5890 -5.5890 -5.5230 -5.5230 -5.1222 -5.1222 -5.0990 -5.0990 -5.0900 -5.0900 -2.5199 -2.5199 -2.5029 -2.5029 -2.5021 -2.5021 -1.9244 -1.9244 -1.9114 -1.9114 -1.8991 -1.8991 -1.7114 -1.7114 -1.6949 -1.6949 5.4288 5.4288 6.6147 6.6147 6.6475 6.6475 6.6580 6.6580 6.8821 6.8821 6.9227 6.9227 k = 0.0000 0.1207-0.0000 ( 6087 PWs) bands (ev): -22.5344 -22.5344 -22.3051 -22.3051 -22.2955 -22.2955 -22.2955 -22.2955 -21.4076 -21.4076 -21.4075 -21.4075 -21.4060 -21.4060 -21.3485 -21.3485 -6.8782 -6.8782 -6.8634 -6.8634 -6.8414 -6.8414 -6.7306 -6.7306 -6.5051 -6.5051 -6.4794 -6.4794 -6.4780 -6.4780 -5.8476 -5.8476 -5.8194 -5.8194 -5.6299 -5.6299 -5.6207 -5.6207 -5.5832 -5.5832 -5.5256 -5.5256 -5.1321 -5.1321 -5.1055 -5.1055 -5.0946 -5.0946 -2.5117 -2.5117 -2.4949 -2.4949 -2.4938 -2.4938 -1.9262 -1.9262 -1.9136 -1.9136 -1.8964 -1.8964 -1.7185 -1.7185 -1.6961 -1.6961 5.4546 5.4546 6.6097 6.6097 6.6537 6.6537 6.6667 6.6667 6.8704 6.8704 6.9251 6.9251 k = 0.0000 0.1379-0.0000 ( 6087 PWs) bands (ev): -22.5320 -22.5320 -22.3080 -22.3080 -22.2955 -22.2955 -22.2954 -22.2954 -21.4075 -21.4075 -21.4073 -21.4073 -21.4054 -21.4054 -21.3492 -21.3492 -6.8897 -6.8897 -6.8725 -6.8725 -6.8465 -6.8465 -6.7460 -6.7460 -6.4881 -6.4881 -6.4619 -6.4619 -6.4552 -6.4552 -5.8495 -5.8495 -5.8136 -5.8136 -5.6370 -5.6370 -5.6252 -5.6252 -5.5767 -5.5767 -5.5283 -5.5283 -5.1441 -5.1441 -5.1124 -5.1124 -5.0999 -5.0999 -2.5024 -2.5024 -2.4858 -2.4858 -2.4843 -2.4843 -1.9285 -1.9285 -1.9163 -1.9163 -1.8932 -1.8932 -1.7266 -1.7266 -1.6974 -1.6974 5.4841 5.4841 6.6040 6.6040 6.6607 6.6607 6.6766 6.6766 6.8573 6.8573 6.9278 6.9278 k = 0.0000 0.1552-0.0000 ( 6095 PWs) bands (ev): -22.5292 -22.5292 -22.3113 -22.3113 -22.2955 -22.2955 -22.2954 -22.2954 -21.4073 -21.4073 -21.4070 -21.4070 -21.4046 -21.4046 -21.3499 -21.3499 -6.9010 -6.9010 -6.8817 -6.8817 -6.8522 -6.8522 -6.7612 -6.7612 -6.4701 -6.4701 -6.4444 -6.4444 -6.4310 -6.4310 -5.8517 -5.8517 -5.8075 -5.8075 -5.6449 -5.6449 -5.6302 -5.6302 -5.5695 -5.5695 -5.5309 -5.5309 -5.1579 -5.1579 -5.1197 -5.1197 -5.1058 -5.1058 -2.4921 -2.4921 -2.4756 -2.4756 -2.4738 -2.4738 -1.9312 -1.9312 -1.9193 -1.9193 -1.8896 -1.8896 -1.7358 -1.7358 -1.6990 -1.6990 5.5176 5.5176 6.5980 6.5980 6.6685 6.6685 6.6877 6.6877 6.8431 6.8431 6.9309 6.9309 k = 0.0000 0.1724-0.0000 ( 6083 PWs) bands (ev): -22.5262 -22.5262 -22.3148 -22.3148 -22.2954 -22.2954 -22.2954 -22.2954 -21.4071 -21.4071 -21.4068 -21.4068 -21.4038 -21.4038 -21.3508 -21.3508 -6.9120 -6.9120 -6.8907 -6.8907 -6.8582 -6.8582 -6.7763 -6.7763 -6.4512 -6.4512 -6.4266 -6.4266 -6.4058 -6.4058 -5.8541 -5.8541 -5.8014 -5.8014 -5.6536 -5.6536 -5.6355 -5.6355 -5.5616 -5.5616 -5.5331 -5.5331 -5.1734 -5.1734 -5.1276 -5.1276 -5.1122 -5.1122 -2.4808 -2.4808 -2.4645 -2.4645 -2.4622 -2.4622 -1.9343 -1.9343 -1.9226 -1.9226 -1.8855 -1.8855 -1.7460 -1.7460 -1.7007 -1.7007 5.5548 5.5548 6.5915 6.5915 6.6770 6.6770 6.6999 6.6999 6.8278 6.8278 6.9345 6.9345 k = 0.0000 0.1897-0.0000 ( 6103 PWs) bands (ev): -22.5228 -22.5228 -22.3187 -22.3187 -22.2954 -22.2954 -22.2954 -22.2954 -21.4069 -21.4069 -21.4066 -21.4066 -21.4029 -21.4029 -21.3517 -21.3517 -6.9225 -6.9225 -6.8995 -6.8995 -6.8645 -6.8645 -6.7911 -6.7911 -6.4316 -6.4316 -6.4087 -6.4087 -6.3799 -6.3799 -5.8569 -5.8569 -5.7954 -5.7954 -5.6628 -5.6628 -5.6413 -5.6413 -5.5534 -5.5534 -5.5346 -5.5346 -5.1905 -5.1905 -5.1361 -5.1361 -5.1192 -5.1192 -2.4687 -2.4687 -2.4525 -2.4525 -2.4496 -2.4496 -1.9379 -1.9379 -1.9264 -1.9264 -1.8810 -1.8810 -1.7572 -1.7572 -1.7026 -1.7026 5.5958 5.5958 6.5849 6.5849 6.6863 6.6863 6.7131 6.7131 6.8117 6.8117 6.9385 6.9385 k = 0.0000 0.2069-0.0000 ( 6095 PWs) bands (ev): -22.5192 -22.5192 -22.3229 -22.3229 -22.2954 -22.2954 -22.2954 -22.2954 -21.4067 -21.4067 -21.4063 -21.4063 -21.4020 -21.4020 -21.3527 -21.3527 -6.9325 -6.9325 -6.9080 -6.9080 -6.8711 -6.8711 -6.8056 -6.8056 -6.4113 -6.4113 -6.3907 -6.3907 -6.3533 -6.3533 -5.8601 -5.8601 -5.7898 -5.7898 -5.6727 -5.6727 -5.6474 -5.6474 -5.5454 -5.5454 -5.5345 -5.5345 -5.2091 -5.2091 -5.1452 -5.1452 -5.1268 -5.1268 -2.4558 -2.4558 -2.4398 -2.4398 -2.4360 -2.4360 -1.9418 -1.9418 -1.9305 -1.9305 -1.8762 -1.8762 -1.7694 -1.7694 -1.7047 -1.7047 5.6405 5.6405 6.5781 6.5781 6.6963 6.6963 6.7272 6.7272 6.7951 6.7951 6.9431 6.9431 k = 0.0000 0.2241-0.0000 ( 6095 PWs) bands (ev): -22.5152 -22.5152 -22.3274 -22.3274 -22.2954 -22.2954 -22.2953 -22.2953 -21.4064 -21.4064 -21.4060 -21.4060 -21.4009 -21.4009 -21.3537 -21.3537 -6.9417 -6.9417 -6.9161 -6.9161 -6.8779 -6.8779 -6.8199 -6.8199 -6.3905 -6.3905 -6.3725 -6.3725 -6.3263 -6.3263 -5.8636 -5.8636 -5.7847 -5.7847 -5.6829 -5.6829 -5.6539 -5.6539 -5.5403 -5.5403 -5.5301 -5.5301 -5.2289 -5.2289 -5.1550 -5.1550 -5.1348 -5.1348 -2.4421 -2.4421 -2.4265 -2.4265 -2.4214 -2.4214 -1.9462 -1.9462 -1.9350 -1.9350 -1.8712 -1.8712 -1.7826 -1.7826 -1.7070 -1.7070 5.6889 5.6889 6.5714 6.5714 6.7068 6.7068 6.7419 6.7419 6.7782 6.7782 6.9481 6.9481 k = 0.0000 0.2414-0.0000 ( 6091 PWs) bands (ev): -22.5110 -22.5110 -22.3322 -22.3322 -22.2953 -22.2953 -22.2953 -22.2953 -21.4062 -21.4062 -21.4058 -21.4058 -21.3998 -21.3998 -21.3549 -21.3549 -6.9503 -6.9503 -6.9238 -6.9238 -6.8849 -6.8849 -6.8338 -6.8338 -6.3692 -6.3692 -6.3542 -6.3542 -6.2991 -6.2991 -5.8677 -5.8677 -5.7804 -5.7804 -5.6934 -5.6934 -5.6605 -5.6605 -5.5377 -5.5377 -5.5214 -5.5214 -5.2499 -5.2499 -5.1653 -5.1653 -5.1433 -5.1433 -2.4280 -2.4280 -2.4126 -2.4126 -2.4060 -2.4060 -1.9510 -1.9510 -1.9400 -1.9400 -1.8659 -1.8659 -1.7965 -1.7965 -1.7096 -1.7096 5.7408 5.7408 6.5648 6.5648 6.7178 6.7178 6.7539 6.7539 6.7645 6.7645 6.9538 6.9538 k = 0.0000 0.2586-0.0000 ( 6091 PWs) bands (ev): -22.5066 -22.5066 -22.3372 -22.3372 -22.2953 -22.2953 -22.2953 -22.2953 -21.4060 -21.4060 -21.4055 -21.4055 -21.3986 -21.3986 -21.3561 -21.3561 -6.9581 -6.9581 -6.9309 -6.9309 -6.8918 -6.8918 -6.8473 -6.8473 -6.3476 -6.3476 -6.3359 -6.3359 -6.2718 -6.2718 -5.8724 -5.8724 -5.7770 -5.7770 -5.7041 -5.7041 -5.6674 -5.6674 -5.5348 -5.5348 -5.5113 -5.5113 -5.2720 -5.2720 -5.1762 -5.1762 -5.1523 -5.1523 -2.4134 -2.4134 -2.3983 -2.3983 -2.3896 -2.3896 -1.9562 -1.9562 -1.9452 -1.9452 -1.8605 -1.8605 -1.8113 -1.8113 -1.7123 -1.7123 5.7963 5.7963 6.5585 6.5585 6.7289 6.7289 6.7418 6.7418 6.7757 6.7757 6.9600 6.9600 k = 0.0000 0.2759-0.0000 ( 6107 PWs) bands (ev): -22.5019 -22.5019 -22.3425 -22.3425 -22.2953 -22.2953 -22.2953 -22.2953 -21.4057 -21.4057 -21.4053 -21.4053 -21.3974 -21.3974 -21.3573 -21.3573 -6.9651 -6.9651 -6.9375 -6.9375 -6.8988 -6.8988 -6.8604 -6.8604 -6.3258 -6.3258 -6.3175 -6.3175 -6.2447 -6.2447 -5.8777 -5.8777 -5.7744 -5.7744 -5.7146 -5.7146 -5.6744 -5.6744 -5.5307 -5.5307 -5.5008 -5.5008 -5.2949 -5.2949 -5.1877 -5.1877 -5.1617 -5.1617 -2.3985 -2.3985 -2.3838 -2.3838 -2.3723 -2.3723 -1.9617 -1.9617 -1.9509 -1.9509 -1.8555 -1.8555 -1.8265 -1.8265 -1.7152 -1.7152 5.8551 5.8551 6.5525 6.5525 6.7233 6.7233 6.7418 6.7418 6.7921 6.7921 6.9669 6.9669 k = 0.0000 0.2931-0.0000 ( 6115 PWs) bands (ev): -22.4970 -22.4970 -22.3480 -22.3480 -22.2952 -22.2952 -22.2952 -22.2952 -21.4055 -21.4055 -21.4050 -21.4050 -21.3961 -21.3961 -21.3587 -21.3587 -6.9712 -6.9712 -6.9434 -6.9434 -6.9057 -6.9057 -6.8730 -6.8730 -6.3037 -6.3037 -6.2990 -6.2990 -6.2181 -6.2181 -5.8839 -5.8839 -5.7727 -5.7727 -5.7248 -5.7248 -5.6815 -5.6815 -5.5250 -5.5250 -5.4902 -5.4902 -5.3183 -5.3183 -5.1998 -5.1998 -5.1716 -5.1716 -2.3835 -2.3835 -2.3691 -2.3691 -2.3542 -2.3542 -1.9676 -1.9676 -1.9569 -1.9569 -1.8538 -1.8538 -1.8390 -1.8390 -1.7184 -1.7184 5.9173 5.9173 6.5470 6.5470 6.7062 6.7062 6.7536 6.7536 6.8092 6.8092 6.9743 6.9743 k = 0.0000 0.3103-0.0000 ( 6115 PWs) bands (ev): -22.4918 -22.4918 -22.3537 -22.3537 -22.2952 -22.2952 -22.2952 -22.2952 -21.4053 -21.4053 -21.4048 -21.4048 -21.3948 -21.3948 -21.3600 -21.3600 -6.9765 -6.9765 -6.9488 -6.9488 -6.9125 -6.9125 -6.8851 -6.8851 -6.2818 -6.2818 -6.2803 -6.2803 -6.1923 -6.1923 -5.8910 -5.8910 -5.7718 -5.7718 -5.7343 -5.7343 -5.6887 -5.6887 -5.5178 -5.5178 -5.4801 -5.4801 -5.3417 -5.3417 -5.2123 -5.2123 -5.1819 -5.1819 -2.3684 -2.3684 -2.3545 -2.3545 -2.3354 -2.3354 -1.9737 -1.9737 -1.9632 -1.9632 -1.8652 -1.8652 -1.8391 -1.8391 -1.7218 -1.7218 5.9826 5.9826 6.5422 6.5422 6.6891 6.6891 6.7656 6.7656 6.8266 6.8266 6.9825 6.9825 k = 0.0000 0.3276-0.0000 ( 6111 PWs) bands (ev): -22.4864 -22.4864 -22.3596 -22.3596 -22.2952 -22.2952 -22.2952 -22.2952 -21.4050 -21.4050 -21.4046 -21.4046 -21.3934 -21.3934 -21.3615 -21.3615 -6.9810 -6.9810 -6.9535 -6.9535 -6.9191 -6.9191 -6.8967 -6.8967 -6.2624 -6.2624 -6.2590 -6.2590 -6.1678 -6.1678 -5.8991 -5.8991 -5.7713 -5.7713 -5.7427 -5.7427 -5.6958 -5.6958 -5.5092 -5.5092 -5.4715 -5.4715 -5.3642 -5.3642 -5.2253 -5.2253 -5.1926 -5.1926 -2.3535 -2.3535 -2.3400 -2.3400 -2.3157 -2.3157 -1.9800 -1.9800 -1.9698 -1.9698 -1.8825 -1.8825 -1.8339 -1.8339 -1.7254 -1.7254 6.0510 6.0510 6.5380 6.5380 6.6723 6.6723 6.7776 6.7776 6.8441 6.8441 6.9914 6.9914 k = 0.0000 0.3448-0.0000 ( 6110 PWs) bands (ev): -22.4809 -22.4809 -22.3656 -22.3656 -22.2952 -22.2952 -22.2952 -22.2952 -21.4048 -21.4048 -21.4044 -21.4044 -21.3919 -21.3919 -21.3629 -21.3629 -6.9846 -6.9846 -6.9576 -6.9576 -6.9255 -6.9255 -6.9078 -6.9078 -6.2441 -6.2441 -6.2367 -6.2367 -6.1450 -6.1450 -5.9084 -5.9084 -5.7712 -5.7712 -5.7495 -5.7495 -5.7029 -5.7029 -5.4992 -5.4992 -5.4664 -5.4664 -5.3834 -5.3834 -5.2387 -5.2387 -5.2036 -5.2036 -2.3389 -2.3389 -2.3259 -2.3259 -2.2955 -2.2955 -1.9865 -1.9865 -1.9765 -1.9765 -1.9012 -1.9012 -1.8279 -1.8279 -1.7292 -1.7292 6.1222 6.1222 6.5346 6.5346 6.6561 6.6561 6.7892 6.7892 6.8615 6.8615 7.0010 7.0010 k = 0.0000 0.3621-0.0000 ( 6102 PWs) bands (ev): -22.4751 -22.4751 -22.3718 -22.3718 -22.2952 -22.2952 -22.2951 -22.2951 -21.4046 -21.4046 -21.4042 -21.4042 -21.3904 -21.3904 -21.3644 -21.3644 -6.9873 -6.9873 -6.9611 -6.9611 -6.9316 -6.9316 -6.9183 -6.9183 -6.2259 -6.2259 -6.2144 -6.2144 -6.1246 -6.1246 -5.9190 -5.9190 -5.7711 -5.7711 -5.7541 -5.7541 -5.7098 -5.7098 -5.4883 -5.4883 -5.4692 -5.4692 -5.3948 -5.3948 -5.2526 -5.2526 -5.2150 -5.2150 -2.3247 -2.3247 -2.3124 -2.3124 -2.2746 -2.2746 -1.9930 -1.9930 -1.9834 -1.9834 -1.9207 -1.9207 -1.8217 -1.8217 -1.7332 -1.7332 6.1960 6.1960 6.5321 6.5321 6.6406 6.6406 6.8001 6.8001 6.8789 6.8789 7.0113 7.0113 k = 0.0000 0.3793-0.0000 ( 6086 PWs) bands (ev): -22.4692 -22.4692 -22.3782 -22.3782 -22.2951 -22.2951 -22.2951 -22.2951 -21.4044 -21.4044 -21.4040 -21.4040 -21.3889 -21.3889 -21.3660 -21.3660 -6.9891 -6.9891 -6.9638 -6.9638 -6.9373 -6.9373 -6.9281 -6.9281 -6.2079 -6.2079 -6.1922 -6.1922 -6.1073 -6.1073 -5.9307 -5.9307 -5.7708 -5.7708 -5.7558 -5.7558 -5.7166 -5.7166 -5.4855 -5.4855 -5.4737 -5.4737 -5.3956 -5.3956 -5.2668 -5.2668 -5.2268 -5.2268 -2.3111 -2.3111 -2.2996 -2.2996 -2.2532 -2.2532 -1.9995 -1.9995 -1.9903 -1.9903 -1.9410 -1.9410 -1.8155 -1.8155 -1.7374 -1.7374 6.2721 6.2721 6.5305 6.5305 6.6258 6.6258 6.8101 6.8101 6.8961 6.8961 7.0224 7.0224 k = 0.0000 0.3966-0.0000 ( 6082 PWs) bands (ev): -22.4631 -22.4631 -22.3846 -22.3846 -22.2951 -22.2951 -22.2951 -22.2951 -21.4042 -21.4042 -21.4039 -21.4039 -21.3873 -21.3873 -21.3675 -21.3675 -6.9901 -6.9901 -6.9659 -6.9659 -6.9427 -6.9427 -6.9373 -6.9373 -6.1903 -6.1903 -6.1702 -6.1702 -6.0938 -6.0938 -5.9438 -5.9438 -5.7700 -5.7700 -5.7542 -5.7542 -5.7231 -5.7231 -5.5059 -5.5059 -5.4617 -5.4617 -5.3891 -5.3891 -5.2813 -5.2813 -5.2388 -5.2388 -2.2983 -2.2983 -2.2878 -2.2878 -2.2314 -2.2314 -2.0056 -2.0056 -1.9971 -1.9971 -1.9618 -1.9618 -1.8092 -1.8092 -1.7419 -1.7419 6.3499 6.3499 6.5300 6.5300 6.6119 6.6119 6.8185 6.8185 6.9131 6.9131 7.0343 7.0343 k = 0.0000 0.4138-0.0000 ( 6070 PWs) bands (ev): -22.4569 -22.4569 -22.3911 -22.3911 -22.2951 -22.2951 -22.2951 -22.2951 -21.4041 -21.4041 -21.4038 -21.4038 -21.3857 -21.3857 -21.3692 -21.3692 -6.9902 -6.9902 -6.9673 -6.9673 -6.9477 -6.9477 -6.9458 -6.9458 -6.1731 -6.1731 -6.1484 -6.1484 -6.0845 -6.0845 -5.9580 -5.9580 -5.7687 -5.7687 -5.7486 -5.7486 -5.7293 -5.7293 -5.5308 -5.5308 -5.4481 -5.4481 -5.3790 -5.3790 -5.2961 -5.2961 -5.2512 -5.2512 -2.2866 -2.2866 -2.2772 -2.2772 -2.2092 -2.2092 -2.0113 -2.0113 -2.0037 -2.0037 -1.9831 -1.9831 -1.8029 -1.8029 -1.7465 -1.7465 6.4288 6.4288 6.5305 6.5305 6.5989 6.5989 6.8248 6.8248 6.9303 6.9303 7.0469 7.0469 k = 0.0000 0.4310-0.0000 ( 6090 PWs) bands (ev): -22.4505 -22.4505 -22.3977 -22.3977 -22.2951 -22.2951 -22.2951 -22.2951 -21.4039 -21.4039 -21.4037 -21.4037 -21.3841 -21.3841 -21.3708 -21.3708 -6.9895 -6.9895 -6.9681 -6.9681 -6.9540 -6.9540 -6.9519 -6.9519 -6.1565 -6.1565 -6.1270 -6.1270 -6.0796 -6.0796 -5.9734 -5.9734 -5.7670 -5.7670 -5.7387 -5.7387 -5.7352 -5.7352 -5.5573 -5.5573 -5.4337 -5.4337 -5.3674 -5.3674 -5.3112 -5.3112 -5.2638 -5.2638 -2.2762 -2.2762 -2.2683 -2.2683 -2.1867 -2.1867 -2.0165 -2.0165 -2.0097 -2.0097 -2.0047 -2.0047 -1.7967 -1.7967 -1.7514 -1.7514 6.5077 6.5077 6.5320 6.5320 6.5870 6.5870 6.8280 6.8280 6.9482 6.9482 7.0604 7.0604 k = 0.0000 0.4483-0.0000 ( 6090 PWs) bands (ev): -22.4441 -22.4441 -22.4044 -22.4044 -22.2951 -22.2951 -22.2951 -22.2951 -21.4038 -21.4038 -21.4036 -21.4036 -21.3825 -21.3825 -21.3724 -21.3724 -6.9879 -6.9879 -6.9683 -6.9683 -6.9611 -6.9611 -6.9560 -6.9560 -6.1407 -6.1407 -6.1062 -6.1062 -6.0789 -6.0789 -5.9898 -5.9898 -5.7647 -5.7647 -5.7409 -5.7409 -5.7245 -5.7245 -5.5842 -5.5842 -5.4189 -5.4189 -5.3550 -5.3550 -5.3264 -5.3264 -5.2765 -5.2765 -2.2674 -2.2674 -2.2611 -2.2611 -2.1639 -2.1639 -2.0276 -2.0276 -2.0198 -2.0198 -2.0150 -2.0150 -1.7905 -1.7905 -1.7565 -1.7565 6.5348 6.5348 6.5752 6.5752 6.5856 6.5856 6.8267 6.8267 6.9684 6.9684 7.0746 7.0746 k = 0.0000 0.4655-0.0000 ( 6098 PWs) bands (ev): -22.4376 -22.4376 -22.4110 -22.4110 -22.2951 -22.2951 -22.2951 -22.2951 -21.4037 -21.4037 -21.4036 -21.4036 -21.3808 -21.3808 -21.3741 -21.3741 -6.9854 -6.9854 -6.9679 -6.9679 -6.9673 -6.9673 -6.9595 -6.9595 -6.1258 -6.1258 -6.0888 -6.0888 -6.0792 -6.0792 -6.0071 -6.0071 -5.7620 -5.7620 -5.7460 -5.7460 -5.7066 -5.7066 -5.6111 -5.6111 -5.4038 -5.4038 -5.3440 -5.3440 -5.3399 -5.3399 -5.2895 -5.2895 -2.2605 -2.2605 -2.2561 -2.2561 -2.1411 -2.1411 -2.0498 -2.0498 -2.0229 -2.0229 -2.0194 -2.0194 -1.7845 -1.7845 -1.7617 -1.7617 6.5387 6.5387 6.5661 6.5661 6.6571 6.6571 6.8186 6.8186 6.9934 6.9934 7.0896 7.0896 k = 0.0000 0.4828-0.0000 ( 6098 PWs) bands (ev): -22.4310 -22.4310 -22.4177 -22.4177 -22.2951 -22.2951 -22.2951 -22.2951 -21.4036 -21.4036 -21.4036 -21.4036 -21.3791 -21.3791 -21.3758 -21.3758 -6.9821 -6.9821 -6.9731 -6.9731 -6.9666 -6.9666 -6.9624 -6.9624 -6.1123 -6.1123 -6.0913 -6.0913 -6.0634 -6.0634 -6.0253 -6.0253 -5.7588 -5.7588 -5.7508 -5.7508 -5.6857 -5.6857 -5.6373 -5.6373 -5.3885 -5.3885 -5.3576 -5.3576 -5.3288 -5.3288 -5.3026 -5.3026 -2.2558 -2.2558 -2.2535 -2.2535 -2.1182 -2.1182 -2.0724 -2.0724 -2.0243 -2.0243 -2.0225 -2.0225 -1.7786 -1.7786 -1.7672 -1.7672 6.5437 6.5437 6.5575 6.5575 6.7198 6.7198 6.8004 6.8004 7.0271 7.0271 7.1052 7.1052 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -22.4244 -22.4244 -22.4244 -22.4244 -22.2951 -22.2951 -22.2951 -22.2951 -21.4036 -21.4036 -21.4036 -21.4036 -21.3775 -21.3775 -21.3775 -21.3775 -6.9780 -6.9780 -6.9780 -6.9780 -6.9648 -6.9648 -6.9648 -6.9648 -6.1006 -6.1006 -6.1006 -6.1006 -6.0442 -6.0442 -6.0442 -6.0442 -5.7550 -5.7550 -5.7550 -5.7550 -5.6624 -5.6624 -5.6624 -5.6624 -5.3730 -5.3730 -5.3730 -5.3730 -5.3157 -5.3157 -5.3157 -5.3157 -2.2534 -2.2534 -2.2534 -2.2534 -2.0953 -2.0953 -2.0953 -2.0953 -2.0242 -2.0242 -2.0242 -2.0242 -1.7728 -1.7728 -1.7728 -1.7728 6.5500 6.5500 6.5500 6.5500 6.7683 6.7683 6.7683 6.7683 7.0739 7.0739 7.0739 7.0739 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -22.4244 -22.4244 -22.4244 -22.4244 -22.2951 -22.2951 -22.2951 -22.2951 -21.4036 -21.4036 -21.4036 -21.4036 -21.3775 -21.3775 -21.3775 -21.3775 -6.9780 -6.9780 -6.9780 -6.9780 -6.9648 -6.9648 -6.9648 -6.9648 -6.1006 -6.1006 -6.1006 -6.1006 -6.0442 -6.0442 -6.0442 -6.0442 -5.7550 -5.7550 -5.7550 -5.7550 -5.6624 -5.6624 -5.6624 -5.6624 -5.3730 -5.3730 -5.3730 -5.3730 -5.3157 -5.3157 -5.3157 -5.3157 -2.2534 -2.2534 -2.2534 -2.2534 -2.0953 -2.0953 -2.0953 -2.0953 -2.0242 -2.0242 -2.0242 -2.0242 -1.7728 -1.7728 -1.7728 -1.7728 6.5500 6.5500 6.5500 6.5500 6.7683 6.7683 6.7683 6.7683 7.0739 7.0739 7.0739 7.0739 k = 0.0172 0.5000-0.0000 ( 6098 PWs) bands (ev): -22.4243 -22.4243 -22.4243 -22.4243 -22.2952 -22.2952 -22.2952 -22.2952 -21.4036 -21.4036 -21.4036 -21.4036 -21.3775 -21.3775 -21.3775 -21.3775 -6.9781 -6.9781 -6.9781 -6.9781 -6.9647 -6.9647 -6.9647 -6.9647 -6.1003 -6.1003 -6.1003 -6.1003 -6.0456 -6.0456 -6.0456 -6.0456 -5.7532 -5.7532 -5.7532 -5.7532 -5.6630 -5.6630 -5.6630 -5.6630 -5.3734 -5.3734 -5.3734 -5.3734 -5.3153 -5.3153 -5.3153 -5.3153 -2.2531 -2.2531 -2.2531 -2.2531 -2.0951 -2.0951 -2.0951 -2.0951 -2.0241 -2.0241 -2.0241 -2.0241 -1.7732 -1.7732 -1.7732 -1.7732 6.5500 6.5500 6.5500 6.5500 6.7672 6.7672 6.7672 6.7672 7.0758 7.0758 7.0758 7.0758 k = 0.0345 0.5000-0.0000 ( 6098 PWs) bands (ev): -22.4240 -22.4240 -22.4240 -22.4240 -22.2954 -22.2954 -22.2954 -22.2954 -21.4035 -21.4035 -21.4035 -21.4035 -21.3775 -21.3775 -21.3775 -21.3775 -6.9783 -6.9783 -6.9783 -6.9783 -6.9646 -6.9646 -6.9646 -6.9646 -6.0995 -6.0995 -6.0995 -6.0995 -6.0499 -6.0499 -6.0499 -6.0499 -5.7477 -5.7477 -5.7477 -5.7477 -5.6648 -5.6648 -5.6648 -5.6648 -5.3745 -5.3745 -5.3745 -5.3745 -5.3144 -5.3144 -5.3144 -5.3144 -2.2521 -2.2521 -2.2521 -2.2521 -2.0946 -2.0946 -2.0946 -2.0946 -2.0240 -2.0240 -2.0240 -2.0240 -1.7743 -1.7743 -1.7743 -1.7743 6.5498 6.5498 6.5498 6.5498 6.7641 6.7641 6.7641 6.7641 7.0814 7.0814 7.0814 7.0814 k = 0.0517 0.5000-0.0000 ( 6096 PWs) bands (ev): -22.4235 -22.4235 -22.4235 -22.4235 -22.2959 -22.2959 -22.2959 -22.2959 -21.4034 -21.4034 -21.4034 -21.4034 -21.3776 -21.3776 -21.3776 -21.3776 -6.9787 -6.9787 -6.9787 -6.9787 -6.9643 -6.9643 -6.9643 -6.9643 -6.0983 -6.0983 -6.0983 -6.0983 -6.0566 -6.0566 -6.0566 -6.0566 -5.7391 -5.7391 -5.7391 -5.7391 -5.6679 -5.6679 -5.6679 -5.6679 -5.3762 -5.3762 -5.3762 -5.3762 -5.3128 -5.3128 -5.3128 -5.3128 -2.2506 -2.2506 -2.2506 -2.2506 -2.0938 -2.0938 -2.0938 -2.0938 -2.0239 -2.0239 -2.0239 -2.0239 -1.7761 -1.7761 -1.7761 -1.7761 6.5494 6.5494 6.5494 6.5494 6.7592 6.7592 6.7592 6.7592 7.0905 7.0905 7.0905 7.0905 k = 0.0690 0.5000-0.0000 ( 6088 PWs) bands (ev): -22.4229 -22.4229 -22.4229 -22.4229 -22.2966 -22.2966 -22.2966 -22.2966 -21.4033 -21.4033 -21.4033 -21.4033 -21.3778 -21.3778 -21.3778 -21.3778 -6.9792 -6.9792 -6.9792 -6.9792 -6.9639 -6.9639 -6.9639 -6.9639 -6.0966 -6.0966 -6.0966 -6.0966 -6.0651 -6.0651 -6.0651 -6.0651 -5.7277 -5.7277 -5.7277 -5.7277 -5.6719 -5.6719 -5.6719 -5.6719 -5.3787 -5.3787 -5.3787 -5.3787 -5.3106 -5.3106 -5.3106 -5.3106 -2.2484 -2.2484 -2.2484 -2.2484 -2.0928 -2.0928 -2.0928 -2.0928 -2.0237 -2.0237 -2.0237 -2.0237 -1.7786 -1.7786 -1.7786 -1.7786 6.5490 6.5490 6.5490 6.5490 6.7526 6.7526 6.7526 6.7526 7.1027 7.1027 7.1027 7.1027 k = 0.0862 0.5000-0.0000 ( 6088 PWs) bands (ev): -22.4220 -22.4220 -22.4220 -22.4220 -22.2974 -22.2974 -22.2974 -22.2974 -21.4031 -21.4031 -21.4031 -21.4031 -21.3780 -21.3780 -21.3780 -21.3780 -6.9799 -6.9799 -6.9799 -6.9799 -6.9635 -6.9635 -6.9635 -6.9635 -6.0950 -6.0950 -6.0950 -6.0950 -6.0747 -6.0747 -6.0747 -6.0747 -5.7142 -5.7142 -5.7142 -5.7142 -5.6769 -5.6769 -5.6769 -5.6769 -5.3819 -5.3819 -5.3819 -5.3819 -5.3080 -5.3080 -5.3080 -5.3080 -2.2455 -2.2455 -2.2455 -2.2455 -2.0914 -2.0914 -2.0914 -2.0914 -2.0235 -2.0235 -2.0235 -2.0235 -1.7819 -1.7819 -1.7819 -1.7819 6.5484 6.5484 6.5484 6.5484 6.7447 6.7447 6.7447 6.7447 7.1175 7.1176 7.1176 7.1178 k = 0.1034 0.5000-0.0000 ( 6086 PWs) bands (ev): -22.4210 -22.4210 -22.4210 -22.4210 -22.2984 -22.2984 -22.2984 -22.2984 -21.4029 -21.4029 -21.4029 -21.4029 -21.3782 -21.3782 -21.3782 -21.3782 -6.9806 -6.9806 -6.9806 -6.9806 -6.9630 -6.9630 -6.9630 -6.9630 -6.0947 -6.0947 -6.0947 -6.0947 -6.0834 -6.0834 -6.0834 -6.0834 -5.6991 -5.6991 -5.6991 -5.6991 -5.6826 -5.6826 -5.6826 -5.6826 -5.3858 -5.3858 -5.3858 -5.3858 -5.3051 -5.3051 -5.3051 -5.3051 -2.2421 -2.2421 -2.2421 -2.2421 -2.0898 -2.0898 -2.0898 -2.0898 -2.0232 -2.0232 -2.0232 -2.0232 -1.7858 -1.7858 -1.7858 -1.7858 6.5477 6.5477 6.5477 6.5477 6.7358 6.7358 6.7358 6.7358 7.1315 7.1315 7.1315 7.1315 k = 0.1207 0.5000-0.0000 ( 6090 PWs) bands (ev): -22.4198 -22.4198 -22.4198 -22.4198 -22.2996 -22.2996 -22.2996 -22.2996 -21.4027 -21.4027 -21.4027 -21.4027 -21.3784 -21.3784 -21.3784 -21.3784 -6.9815 -6.9815 -6.9815 -6.9815 -6.9624 -6.9624 -6.9624 -6.9624 -6.1013 -6.1013 -6.1013 -6.1013 -6.0856 -6.0856 -6.0856 -6.0856 -5.6899 -5.6899 -5.6899 -5.6899 -5.6816 -5.6816 -5.6816 -5.6816 -5.3904 -5.3904 -5.3904 -5.3904 -5.3018 -5.3018 -5.3018 -5.3018 -2.2381 -2.2381 -2.2381 -2.2381 -2.0879 -2.0879 -2.0879 -2.0879 -2.0229 -2.0229 -2.0229 -2.0229 -1.7905 -1.7905 -1.7905 -1.7905 6.5468 6.5468 6.5468 6.5468 6.7261 6.7261 6.7261 6.7261 7.1384 7.1384 7.1384 7.1385 k = 0.1379 0.5000-0.0000 ( 6086 PWs) bands (ev): -22.4184 -22.4184 -22.4184 -22.4184 -22.3010 -22.3010 -22.3010 -22.3010 -21.4025 -21.4025 -21.4025 -21.4025 -21.3787 -21.3787 -21.3787 -21.3787 -6.9824 -6.9824 -6.9824 -6.9824 -6.9618 -6.9618 -6.9618 -6.9618 -6.1121 -6.1121 -6.1121 -6.1121 -6.0836 -6.0836 -6.0836 -6.0836 -5.6962 -5.6962 -5.6962 -5.6962 -5.6647 -5.6647 -5.6647 -5.6647 -5.3955 -5.3955 -5.3955 -5.3955 -5.2985 -5.2985 -5.2985 -5.2985 -2.2334 -2.2334 -2.2334 -2.2334 -2.0858 -2.0858 -2.0858 -2.0858 -2.0226 -2.0226 -2.0226 -2.0226 -1.7958 -1.7958 -1.7958 -1.7958 6.5459 6.5459 6.5459 6.5459 6.7157 6.7157 6.7157 6.7157 7.1440 7.1440 7.1440 7.1440 k = 0.1552 0.5000-0.0000 ( 6098 PWs) bands (ev): -22.4168 -22.4168 -22.4168 -22.4168 -22.3026 -22.3026 -22.3026 -22.3026 -21.4022 -21.4022 -21.4022 -21.4022 -21.3791 -21.3791 -21.3791 -21.3791 -6.9833 -6.9833 -6.9833 -6.9833 -6.9613 -6.9613 -6.9613 -6.9613 -6.1235 -6.1235 -6.1235 -6.1235 -6.0808 -6.0808 -6.0808 -6.0808 -5.7031 -5.7031 -5.7031 -5.7031 -5.6467 -5.6467 -5.6467 -5.6467 -5.4013 -5.4013 -5.4013 -5.4013 -5.2950 -5.2950 -5.2950 -5.2950 -2.2282 -2.2282 -2.2282 -2.2282 -2.0835 -2.0835 -2.0835 -2.0835 -2.0222 -2.0222 -2.0222 -2.0222 -1.8017 -1.8017 -1.8017 -1.8017 6.5449 6.5449 6.5449 6.5449 6.7050 6.7050 6.7050 6.7050 7.1499 7.1499 7.1499 7.1499 k = 0.1724 0.5000-0.0000 ( 6112 PWs) bands (ev): -22.4151 -22.4151 -22.4151 -22.4151 -22.3043 -22.3043 -22.3043 -22.3043 -21.4018 -21.4018 -21.4018 -21.4018 -21.3795 -21.3795 -21.3795 -21.3795 -6.9842 -6.9842 -6.9842 -6.9842 -6.9607 -6.9607 -6.9607 -6.9607 -6.1347 -6.1347 -6.1347 -6.1347 -6.0780 -6.0780 -6.0780 -6.0780 -5.7099 -5.7099 -5.7099 -5.7099 -5.6285 -5.6285 -5.6285 -5.6285 -5.4076 -5.4076 -5.4076 -5.4076 -5.2916 -5.2916 -5.2916 -5.2916 -2.2225 -2.2225 -2.2225 -2.2225 -2.0811 -2.0811 -2.0811 -2.0811 -2.0218 -2.0218 -2.0218 -2.0218 -1.8083 -1.8083 -1.8083 -1.8083 6.5438 6.5438 6.5438 6.5438 6.6941 6.6941 6.6941 6.6941 7.1563 7.1563 7.1563 7.1563 k = 0.1897 0.5000-0.0000 ( 6116 PWs) bands (ev): -22.4132 -22.4132 -22.4132 -22.4132 -22.3062 -22.3062 -22.3062 -22.3062 -21.4015 -21.4015 -21.4015 -21.4015 -21.3799 -21.3799 -21.3799 -21.3799 -6.9852 -6.9852 -6.9852 -6.9852 -6.9603 -6.9603 -6.9603 -6.9603 -6.1455 -6.1455 -6.1455 -6.1455 -6.0754 -6.0754 -6.0754 -6.0754 -5.7164 -5.7164 -5.7164 -5.7164 -5.6102 -5.6102 -5.6102 -5.6102 -5.4143 -5.4143 -5.4143 -5.4143 -5.2884 -5.2884 -5.2884 -5.2884 -2.2161 -2.2161 -2.2161 -2.2161 -2.0785 -2.0785 -2.0785 -2.0785 -2.0213 -2.0213 -2.0213 -2.0213 -1.8155 -1.8155 -1.8155 -1.8155 6.5427 6.5427 6.5427 6.5427 6.6830 6.6830 6.6830 6.6830 7.1632 7.1632 7.1632 7.1632 k = 0.2069 0.5000-0.0000 ( 6108 PWs) bands (ev): -22.4112 -22.4112 -22.4112 -22.4112 -22.3082 -22.3082 -22.3082 -22.3082 -21.4011 -21.4011 -21.4011 -21.4011 -21.3803 -21.3803 -21.3803 -21.3803 -6.9861 -6.9861 -6.9861 -6.9861 -6.9599 -6.9599 -6.9599 -6.9599 -6.1555 -6.1555 -6.1555 -6.1555 -6.0732 -6.0732 -6.0732 -6.0732 -5.7224 -5.7224 -5.7224 -5.7224 -5.5921 -5.5921 -5.5921 -5.5921 -5.4214 -5.4214 -5.4214 -5.4214 -5.2854 -5.2854 -5.2854 -5.2854 -2.2093 -2.2093 -2.2093 -2.2093 -2.0757 -2.0757 -2.0757 -2.0757 -2.0208 -2.0208 -2.0208 -2.0208 -1.8232 -1.8232 -1.8232 -1.8232 6.5415 6.5415 6.5415 6.5415 6.6720 6.6720 6.6720 6.6720 7.1705 7.1705 7.1705 7.1705 k = 0.2241 0.5000-0.0000 ( 6108 PWs) bands (ev): -22.4090 -22.4090 -22.4090 -22.4090 -22.3104 -22.3104 -22.3104 -22.3104 -21.4007 -21.4007 -21.4007 -21.4007 -21.3808 -21.3808 -21.3808 -21.3808 -6.9869 -6.9869 -6.9869 -6.9869 -6.9597 -6.9597 -6.9597 -6.9597 -6.1647 -6.1647 -6.1647 -6.1647 -6.0716 -6.0716 -6.0716 -6.0716 -5.7276 -5.7276 -5.7276 -5.7276 -5.5745 -5.5745 -5.5745 -5.5745 -5.4286 -5.4286 -5.4286 -5.4286 -5.2827 -5.2827 -5.2827 -5.2827 -2.2019 -2.2019 -2.2019 -2.2019 -2.0729 -2.0729 -2.0729 -2.0729 -2.0203 -2.0203 -2.0203 -2.0203 -1.8315 -1.8315 -1.8315 -1.8315 6.5403 6.5403 6.5403 6.5403 6.6611 6.6611 6.6611 6.6611 7.1783 7.1783 7.1783 7.1783 k = 0.2414 0.5000-0.0000 ( 6104 PWs) bands (ev): -22.4067 -22.4067 -22.4067 -22.4067 -22.3127 -22.3127 -22.3127 -22.3127 -21.4002 -21.4002 -21.4002 -21.4002 -21.3813 -21.3813 -21.3813 -21.3813 -6.9876 -6.9876 -6.9876 -6.9876 -6.9596 -6.9596 -6.9596 -6.9596 -6.1729 -6.1729 -6.1729 -6.1729 -6.0707 -6.0707 -6.0707 -6.0707 -5.7318 -5.7318 -5.7318 -5.7318 -5.5580 -5.5580 -5.5580 -5.5580 -5.4355 -5.4355 -5.4355 -5.4355 -5.2804 -5.2804 -5.2804 -5.2804 -2.1941 -2.1941 -2.1941 -2.1941 -2.0700 -2.0700 -2.0700 -2.0700 -2.0198 -2.0198 -2.0198 -2.0198 -1.8403 -1.8403 -1.8403 -1.8403 6.5391 6.5391 6.5391 6.5391 6.6504 6.6504 6.6504 6.6504 7.1864 7.1864 7.1864 7.1864 k = 0.2586 0.5000-0.0000 ( 6094 PWs) bands (ev): -22.4042 -22.4042 -22.4042 -22.4042 -22.3152 -22.3152 -22.3152 -22.3152 -21.3997 -21.3997 -21.3997 -21.3997 -21.3818 -21.3818 -21.3818 -21.3818 -6.9882 -6.9882 -6.9882 -6.9882 -6.9597 -6.9597 -6.9597 -6.9597 -6.1801 -6.1801 -6.1801 -6.1801 -6.0709 -6.0709 -6.0709 -6.0709 -5.7348 -5.7348 -5.7348 -5.7348 -5.5430 -5.5430 -5.5430 -5.5430 -5.4417 -5.4417 -5.4417 -5.4417 -5.2785 -5.2785 -5.2785 -5.2785 -2.1857 -2.1857 -2.1857 -2.1857 -2.0672 -2.0672 -2.0672 -2.0672 -2.0193 -2.0193 -2.0193 -2.0193 -1.8496 -1.8496 -1.8496 -1.8496 6.5379 6.5379 6.5379 6.5379 6.6399 6.6399 6.6399 6.6399 7.1949 7.1949 7.1949 7.1949 k = 0.2759 0.5000-0.0000 ( 6094 PWs) bands (ev): -22.4016 -22.4016 -22.4016 -22.4016 -22.3178 -22.3178 -22.3178 -22.3178 -21.3992 -21.3992 -21.3992 -21.3992 -21.3823 -21.3823 -21.3823 -21.3823 -6.9887 -6.9887 -6.9887 -6.9887 -6.9599 -6.9599 -6.9599 -6.9599 -6.1862 -6.1862 -6.1862 -6.1862 -6.0720 -6.0720 -6.0720 -6.0720 -5.7364 -5.7364 -5.7364 -5.7364 -5.5308 -5.5308 -5.5308 -5.5308 -5.4460 -5.4460 -5.4460 -5.4460 -5.2771 -5.2771 -5.2771 -5.2771 -2.1770 -2.1770 -2.1770 -2.1770 -2.0643 -2.0643 -2.0643 -2.0643 -2.0187 -2.0187 -2.0187 -2.0187 -1.8592 -1.8592 -1.8592 -1.8592 6.5368 6.5368 6.5368 6.5368 6.6298 6.6298 6.6298 6.6298 7.2036 7.2036 7.2036 7.2036 k = 0.2931 0.5000-0.0000 ( 6092 PWs) bands (ev): -22.3988 -22.3988 -22.3988 -22.3988 -22.3205 -22.3205 -22.3205 -22.3205 -21.3987 -21.3987 -21.3987 -21.3987 -21.3829 -21.3829 -21.3829 -21.3829 -6.9890 -6.9890 -6.9890 -6.9890 -6.9604 -6.9604 -6.9604 -6.9604 -6.1911 -6.1911 -6.1911 -6.1911 -6.0744 -6.0744 -6.0744 -6.0744 -5.7364 -5.7364 -5.7364 -5.7364 -5.5230 -5.5230 -5.5230 -5.5230 -5.4468 -5.4468 -5.4468 -5.4468 -5.2763 -5.2763 -5.2763 -5.2763 -2.1678 -2.1678 -2.1678 -2.1678 -2.0615 -2.0615 -2.0615 -2.0615 -2.0182 -2.0182 -2.0182 -2.0182 -1.8693 -1.8693 -1.8693 -1.8693 6.5358 6.5358 6.5358 6.5358 6.6201 6.6201 6.6201 6.6201 7.2125 7.2125 7.2125 7.2125 k = 0.3103 0.5000-0.0000 ( 6100 PWs) bands (ev): -22.3960 -22.3960 -22.3960 -22.3960 -22.3234 -22.3234 -22.3234 -22.3234 -21.3981 -21.3981 -21.3981 -21.3981 -21.3835 -21.3835 -21.3835 -21.3835 -6.9891 -6.9891 -6.9891 -6.9891 -6.9611 -6.9611 -6.9611 -6.9611 -6.1948 -6.1948 -6.1948 -6.1948 -6.0779 -6.0779 -6.0779 -6.0779 -5.7350 -5.7350 -5.7350 -5.7350 -5.5210 -5.5210 -5.5210 -5.5210 -5.4429 -5.4429 -5.4429 -5.4429 -5.2761 -5.2761 -5.2761 -5.2761 -2.1583 -2.1583 -2.1583 -2.1583 -2.0588 -2.0588 -2.0588 -2.0588 -2.0176 -2.0176 -2.0176 -2.0176 -1.8798 -1.8798 -1.8798 -1.8798 6.5349 6.5349 6.5349 6.5349 6.6108 6.6108 6.6108 6.6108 7.2215 7.2215 7.2215 7.2215 k = 0.3276 0.5000-0.0000 ( 6102 PWs) bands (ev): -22.3930 -22.3930 -22.3930 -22.3930 -22.3263 -22.3263 -22.3263 -22.3263 -21.3976 -21.3976 -21.3976 -21.3976 -21.3841 -21.3841 -21.3841 -21.3841 -6.9891 -6.9891 -6.9891 -6.9891 -6.9620 -6.9620 -6.9620 -6.9620 -6.1973 -6.1973 -6.1973 -6.1973 -6.0826 -6.0826 -6.0826 -6.0826 -5.7319 -5.7319 -5.7319 -5.7319 -5.5243 -5.5243 -5.5243 -5.5243 -5.4345 -5.4345 -5.4345 -5.4345 -5.2765 -5.2765 -5.2765 -5.2765 -2.1485 -2.1485 -2.1485 -2.1485 -2.0563 -2.0563 -2.0563 -2.0563 -2.0171 -2.0171 -2.0171 -2.0171 -1.8905 -1.8905 -1.8905 -1.8905 6.5341 6.5341 6.5341 6.5341 6.6019 6.6019 6.6019 6.6019 7.2306 7.2306 7.2306 7.2306 k = 0.3448 0.5000-0.0000 ( 6106 PWs) bands (ev): -22.3900 -22.3900 -22.3900 -22.3900 -22.3294 -22.3294 -22.3294 -22.3294 -21.3970 -21.3970 -21.3970 -21.3970 -21.3848 -21.3848 -21.3848 -21.3848 -6.9889 -6.9889 -6.9889 -6.9889 -6.9630 -6.9630 -6.9630 -6.9630 -6.1985 -6.1985 -6.1985 -6.1985 -6.0883 -6.0883 -6.0883 -6.0883 -5.7273 -5.7273 -5.7273 -5.7273 -5.5313 -5.5313 -5.5313 -5.5313 -5.4234 -5.4234 -5.4234 -5.4234 -5.2776 -5.2776 -5.2776 -5.2776 -2.1384 -2.1384 -2.1384 -2.1384 -2.0539 -2.0539 -2.0539 -2.0539 -2.0164 -2.0164 -2.0164 -2.0164 -1.9015 -1.9015 -1.9015 -1.9015 6.5336 6.5336 6.5336 6.5336 6.5936 6.5936 6.5936 6.5936 7.2397 7.2397 7.2397 7.2397 k = 0.3621 0.5000-0.0000 ( 6102 PWs) bands (ev): -22.3868 -22.3868 -22.3868 -22.3868 -22.3325 -22.3325 -22.3325 -22.3325 -21.3964 -21.3964 -21.3964 -21.3964 -21.3854 -21.3854 -21.3854 -21.3854 -6.9884 -6.9884 -6.9884 -6.9884 -6.9643 -6.9643 -6.9643 -6.9643 -6.1986 -6.1986 -6.1986 -6.1986 -6.0949 -6.0949 -6.0949 -6.0949 -5.7213 -5.7213 -5.7213 -5.7213 -5.5406 -5.5406 -5.5406 -5.5406 -5.4111 -5.4111 -5.4111 -5.4111 -5.2794 -5.2794 -5.2794 -5.2794 -2.1281 -2.1281 -2.1281 -2.1281 -2.0517 -2.0517 -2.0517 -2.0517 -2.0158 -2.0158 -2.0158 -2.0158 -1.9126 -1.9126 -1.9126 -1.9126 6.5332 6.5332 6.5332 6.5332 6.5858 6.5858 6.5858 6.5858 7.2488 7.2488 7.2488 7.2488 k = 0.3793 0.5000-0.0000 ( 6106 PWs) bands (ev): -22.3836 -22.3836 -22.3836 -22.3836 -22.3357 -22.3357 -22.3357 -22.3357 -21.3957 -21.3957 -21.3957 -21.3957 -21.3861 -21.3861 -21.3861 -21.3861 -6.9878 -6.9878 -6.9878 -6.9878 -6.9657 -6.9657 -6.9657 -6.9657 -6.1974 -6.1974 -6.1974 -6.1974 -6.1023 -6.1023 -6.1023 -6.1023 -5.7140 -5.7140 -5.7140 -5.7140 -5.5513 -5.5513 -5.5513 -5.5513 -5.3984 -5.3984 -5.3984 -5.3984 -5.2819 -5.2819 -5.2819 -5.2819 -2.1178 -2.1178 -2.1178 -2.1178 -2.0499 -2.0499 -2.0499 -2.0499 -2.0150 -2.0150 -2.0150 -2.0150 -1.9239 -1.9239 -1.9239 -1.9239 6.5331 6.5331 6.5331 6.5331 6.5786 6.5786 6.5786 6.5786 7.2577 7.2577 7.2577 7.2578 k = 0.3966 0.5000-0.0000 ( 6104 PWs) bands (ev): -22.3803 -22.3803 -22.3803 -22.3803 -22.3390 -22.3390 -22.3390 -22.3390 -21.3951 -21.3951 -21.3951 -21.3951 -21.3868 -21.3868 -21.3868 -21.3868 -6.9869 -6.9869 -6.9869 -6.9869 -6.9673 -6.9673 -6.9673 -6.9673 -6.1952 -6.1952 -6.1952 -6.1952 -6.1103 -6.1103 -6.1103 -6.1103 -5.7055 -5.7055 -5.7055 -5.7055 -5.5628 -5.5628 -5.5628 -5.5628 -5.3858 -5.3858 -5.3858 -5.3858 -5.2852 -5.2852 -5.2852 -5.2852 -2.1074 -2.1074 -2.1074 -2.1074 -2.0483 -2.0483 -2.0483 -2.0483 -2.0140 -2.0140 -2.0140 -2.0140 -1.9352 -1.9352 -1.9352 -1.9352 6.5333 6.5333 6.5333 6.5333 6.5720 6.5720 6.5720 6.5720 7.2665 7.2665 7.2665 7.2665 k = 0.4138 0.5000-0.0000 ( 6116 PWs) bands (ev): -22.3770 -22.3770 -22.3770 -22.3770 -22.3424 -22.3424 -22.3424 -22.3424 -21.3944 -21.3944 -21.3944 -21.3944 -21.3875 -21.3875 -21.3875 -21.3875 -6.9859 -6.9859 -6.9859 -6.9859 -6.9690 -6.9690 -6.9690 -6.9690 -6.1918 -6.1918 -6.1918 -6.1918 -6.1187 -6.1187 -6.1187 -6.1187 -5.6960 -5.6960 -5.6960 -5.6960 -5.5749 -5.5749 -5.5749 -5.5749 -5.3735 -5.3735 -5.3735 -5.3735 -5.2893 -5.2893 -5.2893 -5.2893 -2.0971 -2.0971 -2.0971 -2.0971 -2.0473 -2.0473 -2.0473 -2.0473 -2.0128 -2.0128 -2.0128 -2.0128 -1.9463 -1.9463 -1.9463 -1.9463 6.5338 6.5338 6.5338 6.5338 6.5660 6.5660 6.5660 6.5660 7.2749 7.2749 7.2749 7.2749 k = 0.4310 0.5000-0.0000 ( 6116 PWs) bands (ev): -22.3736 -22.3736 -22.3736 -22.3736 -22.3458 -22.3458 -22.3458 -22.3458 -21.3938 -21.3938 -21.3938 -21.3938 -21.3882 -21.3882 -21.3882 -21.3882 -6.9847 -6.9847 -6.9847 -6.9847 -6.9708 -6.9708 -6.9708 -6.9708 -6.1874 -6.1874 -6.1874 -6.1874 -6.1274 -6.1274 -6.1274 -6.1274 -5.6857 -5.6857 -5.6857 -5.6857 -5.5874 -5.5874 -5.5874 -5.5874 -5.3618 -5.3618 -5.3618 -5.3618 -5.2942 -5.2942 -5.2942 -5.2942 -2.0872 -2.0872 -2.0872 -2.0872 -2.0468 -2.0468 -2.0468 -2.0468 -2.0111 -2.0111 -2.0111 -2.0111 -1.9572 -1.9572 -1.9572 -1.9572 6.5347 6.5347 6.5347 6.5347 6.5605 6.5605 6.5605 6.5605 7.2831 7.2831 7.2831 7.2831 k = 0.4483 0.5000-0.0000 ( 6100 PWs) bands (ev): -22.3701 -22.3701 -22.3701 -22.3701 -22.3492 -22.3492 -22.3492 -22.3492 -21.3931 -21.3931 -21.3931 -21.3931 -21.3889 -21.3889 -21.3889 -21.3889 -6.9833 -6.9833 -6.9833 -6.9833 -6.9727 -6.9727 -6.9727 -6.9727 -6.1822 -6.1822 -6.1822 -6.1822 -6.1361 -6.1361 -6.1361 -6.1361 -5.6746 -5.6746 -5.6746 -5.6746 -5.6001 -5.6001 -5.6001 -5.6001 -5.3506 -5.3506 -5.3506 -5.3506 -5.2998 -5.2998 -5.2998 -5.2998 -2.0780 -2.0780 -2.0780 -2.0780 -2.0470 -2.0470 -2.0470 -2.0470 -2.0089 -2.0089 -2.0089 -2.0089 -1.9676 -1.9676 -1.9676 -1.9676 6.5359 6.5359 6.5359 6.5359 6.5558 6.5558 6.5558 6.5558 7.2908 7.2908 7.2908 7.2908 k = 0.4655 0.5000-0.0000 ( 6112 PWs) bands (ev): -22.3667 -22.3667 -22.3667 -22.3667 -22.3527 -22.3527 -22.3527 -22.3527 -21.3924 -21.3924 -21.3924 -21.3924 -21.3896 -21.3896 -21.3896 -21.3896 -6.9818 -6.9818 -6.9818 -6.9818 -6.9746 -6.9746 -6.9746 -6.9746 -6.1761 -6.1761 -6.1761 -6.1761 -6.1447 -6.1447 -6.1447 -6.1447 -5.6630 -5.6630 -5.6630 -5.6630 -5.6129 -5.6129 -5.6129 -5.6129 -5.3403 -5.3403 -5.3403 -5.3403 -5.3063 -5.3063 -5.3063 -5.3063 -2.0698 -2.0698 -2.0698 -2.0698 -2.0481 -2.0481 -2.0481 -2.0481 -2.0058 -2.0058 -2.0058 -2.0058 -1.9772 -1.9772 -1.9772 -1.9772 6.5373 6.5373 6.5373 6.5373 6.5517 6.5517 6.5517 6.5517 7.2979 7.2979 7.2979 7.2979 k = 0.4828 0.5000-0.0000 ( 6108 PWs) bands (ev): -22.3632 -22.3632 -22.3632 -22.3632 -22.3562 -22.3562 -22.3562 -22.3562 -21.3917 -21.3917 -21.3917 -21.3917 -21.3903 -21.3903 -21.3903 -21.3903 -6.9801 -6.9801 -6.9801 -6.9801 -6.9764 -6.9764 -6.9764 -6.9764 -6.1694 -6.1694 -6.1694 -6.1694 -6.1530 -6.1530 -6.1530 -6.1530 -5.6509 -5.6509 -5.6509 -5.6509 -5.6257 -5.6257 -5.6257 -5.6257 -5.3307 -5.3307 -5.3307 -5.3307 -5.3135 -5.3135 -5.3135 -5.3135 -2.0633 -2.0633 -2.0633 -2.0633 -2.0499 -2.0499 -2.0499 -2.0499 -2.0019 -2.0019 -2.0019 -2.0019 -1.9854 -1.9854 -1.9854 -1.9854 6.5389 6.5389 6.5389 6.5389 6.5486 6.5486 6.5486 6.5486 7.3040 7.3040 7.3040 7.3040 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -22.3597 -22.3597 -22.3597 -22.3597 -22.3596 -22.3596 -22.3596 -22.3596 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -6.9788 -6.9788 -6.9788 -6.9788 -6.9778 -6.9778 -6.9778 -6.9778 -6.1639 -6.1639 -6.1639 -6.1639 -6.1589 -6.1589 -6.1589 -6.1589 -5.6392 -5.6392 -5.6392 -5.6392 -5.6376 -5.6376 -5.6376 -5.6376 -5.3230 -5.3230 -5.3230 -5.3230 -5.3203 -5.3203 -5.3203 -5.3203 -2.0603 -2.0603 -2.0603 -2.0603 -2.0513 -2.0513 -2.0513 -2.0513 -1.9990 -1.9990 -1.9990 -1.9990 -1.9897 -1.9897 -1.9897 -1.9897 6.5397 6.5397 6.5397 6.5397 6.5473 6.5473 6.5473 6.5473 7.3072 7.3072 7.3072 7.3072 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -22.3597 -22.3597 -22.3597 -22.3597 -22.3596 -22.3596 -22.3596 -22.3596 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -6.9788 -6.9788 -6.9788 -6.9788 -6.9778 -6.9778 -6.9778 -6.9778 -6.1639 -6.1639 -6.1639 -6.1639 -6.1589 -6.1589 -6.1589 -6.1589 -5.6392 -5.6392 -5.6392 -5.6392 -5.6376 -5.6376 -5.6376 -5.6376 -5.3230 -5.3230 -5.3230 -5.3230 -5.3203 -5.3203 -5.3203 -5.3203 -2.0603 -2.0603 -2.0603 -2.0603 -2.0513 -2.0513 -2.0513 -2.0513 -1.9990 -1.9990 -1.9990 -1.9990 -1.9897 -1.9897 -1.9897 -1.9897 6.5397 6.5397 6.5397 6.5397 6.5473 6.5473 6.5473 6.5473 7.3072 7.3072 7.3072 7.3072 k = 0.4878 0.4878-0.0000 ( 6112 PWs) bands (ev): -22.3647 -22.3647 -22.3596 -22.3596 -22.3596 -22.3596 -22.3548 -22.3548 -21.3920 -21.3920 -21.3910 -21.3910 -21.3910 -21.3910 -21.3899 -21.3899 -6.9844 -6.9844 -6.9813 -6.9813 -6.9748 -6.9748 -6.9725 -6.9725 -6.1764 -6.1764 -6.1650 -6.1650 -6.1579 -6.1579 -6.1451 -6.1451 -5.6594 -5.6594 -5.6418 -5.6418 -5.6351 -5.6351 -5.6170 -5.6170 -5.3340 -5.3340 -5.3226 -5.3226 -5.3222 -5.3222 -5.3097 -5.3097 -2.0685 -2.0685 -2.0589 -2.0589 -2.0550 -2.0550 -2.0432 -2.0432 -2.0034 -2.0034 -1.9978 -1.9978 -1.9902 -1.9902 -1.9839 -1.9839 6.5319 6.5319 6.5407 6.5407 6.5470 6.5470 6.5556 6.5556 7.2980 7.2980 7.3108 7.3108 k = 0.4756 0.4756-0.0000 ( 6116 PWs) bands (ev): -22.3699 -22.3699 -22.3593 -22.3593 -22.3593 -22.3593 -22.3501 -22.3501 -21.3929 -21.3929 -21.3911 -21.3911 -21.3910 -21.3910 -21.3889 -21.3889 -6.9905 -6.9905 -6.9840 -6.9840 -6.9707 -6.9707 -6.9671 -6.9671 -6.1890 -6.1890 -6.1697 -6.1697 -6.1538 -6.1538 -6.1284 -6.1284 -5.6796 -5.6796 -5.6454 -5.6454 -5.6320 -5.6320 -5.5954 -5.5954 -5.3463 -5.3463 -5.3247 -5.3247 -5.3244 -5.3244 -5.2982 -5.2982 -2.0788 -2.0788 -2.0659 -2.0659 -2.0533 -2.0533 -2.0350 -2.0350 -2.0090 -2.0090 -1.9968 -1.9968 -1.9863 -1.9863 -1.9763 -1.9763 6.5240 6.5240 6.5357 6.5357 6.5542 6.5542 6.5651 6.5651 7.2863 7.2863 7.3050 7.3050 k = 0.4634 0.4634-0.0000 ( 6112 PWs) bands (ev): -22.3753 -22.3753 -22.3589 -22.3589 -22.3589 -22.3589 -22.3456 -22.3456 -21.3938 -21.3938 -21.3912 -21.3912 -21.3911 -21.3911 -21.3878 -21.3878 -6.9967 -6.9967 -6.9861 -6.9861 -6.9660 -6.9660 -6.9621 -6.9621 -6.2001 -6.2001 -6.1746 -6.1746 -6.1497 -6.1497 -6.1106 -6.1106 -5.6990 -5.6990 -5.6491 -5.6491 -5.6289 -5.6289 -5.5737 -5.5737 -5.3591 -5.3591 -5.3284 -5.3284 -5.3279 -5.3279 -5.2869 -5.2869 -2.0901 -2.0901 -2.0737 -2.0737 -2.0548 -2.0548 -2.0280 -2.0280 -2.0131 -2.0131 -1.9945 -1.9945 -1.9806 -1.9806 -1.9683 -1.9683 6.5164 6.5164 6.5319 6.5319 6.5619 6.5619 6.5752 6.5752 7.2734 7.2734 7.2983 7.2983 k = 0.4512 0.4512-0.0000 ( 6112 PWs) bands (ev): -22.3808 -22.3808 -22.3582 -22.3582 -22.3582 -22.3582 -22.3414 -22.3414 -21.3947 -21.3947 -21.3914 -21.3914 -21.3912 -21.3912 -21.3866 -21.3866 -7.0029 -7.0029 -6.9877 -6.9877 -6.9609 -6.9609 -6.9576 -6.9576 -6.2096 -6.2096 -6.1798 -6.1798 -6.1455 -6.1455 -6.0923 -6.0923 -5.7172 -5.7172 -5.6530 -5.6530 -5.6259 -5.6259 -5.5520 -5.5520 -5.3722 -5.3722 -5.3334 -5.3334 -5.3327 -5.3327 -5.2760 -5.2760 -2.1020 -2.1020 -2.0823 -2.0823 -2.0595 -2.0595 -2.0241 -2.0241 -2.0127 -2.0127 -1.9908 -1.9908 -1.9738 -1.9738 -1.9598 -1.9598 6.5095 6.5095 6.5289 6.5289 6.5700 6.5700 6.5853 6.5853 7.2596 7.2596 7.2903 7.2903 k = 0.4390 0.4390-0.0000 ( 6112 PWs) bands (ev): -22.3865 -22.3865 -22.3574 -22.3574 -22.3574 -22.3574 -22.3373 -22.3373 -21.3955 -21.3955 -21.3915 -21.3915 -21.3914 -21.3914 -21.3854 -21.3854 -7.0088 -7.0088 -6.9888 -6.9888 -6.9554 -6.9554 -6.9536 -6.9536 -6.2174 -6.2174 -6.1856 -6.1856 -6.1411 -6.1411 -6.0738 -6.0738 -5.7336 -5.7336 -5.6570 -5.6570 -5.6231 -5.6231 -5.5304 -5.5304 -5.3856 -5.3856 -5.3399 -5.3399 -5.3386 -5.3386 -5.2653 -5.2653 -2.1142 -2.1142 -2.0916 -2.0916 -2.0672 -2.0672 -2.0233 -2.0233 -2.0076 -2.0076 -1.9861 -1.9861 -1.9665 -1.9665 -1.9510 -1.9510 6.5034 6.5034 6.5268 6.5268 6.5787 6.5787 6.5950 6.5950 7.2449 7.2449 7.2809 7.2809 k = 0.4268 0.4268-0.0000 ( 6106 PWs) bands (ev): -22.3923 -22.3923 -22.3565 -22.3565 -22.3565 -22.3565 -22.3334 -22.3334 -21.3963 -21.3963 -21.3918 -21.3918 -21.3916 -21.3916 -21.3841 -21.3841 -7.0145 -7.0145 -6.9895 -6.9895 -6.9504 -6.9504 -6.9491 -6.9491 -6.2237 -6.2237 -6.1920 -6.1920 -6.1363 -6.1363 -6.0560 -6.0560 -5.7479 -5.7479 -5.6612 -5.6612 -5.6203 -5.6203 -5.5092 -5.5092 -5.3993 -5.3993 -5.3476 -5.3476 -5.3456 -5.3456 -5.2549 -5.2549 -2.1267 -2.1267 -2.1018 -2.1018 -2.0770 -2.0770 -2.0227 -2.0227 -2.0009 -2.0009 -1.9809 -1.9809 -1.9591 -1.9591 -1.9416 -1.9416 6.4982 6.4982 6.5253 6.5253 6.5880 6.5880 6.6039 6.6039 7.2296 7.2296 7.2702 7.2702 k = 0.4146 0.4146-0.0000 ( 6098 PWs) bands (ev): -22.3981 -22.3981 -22.3554 -22.3554 -22.3553 -22.3553 -22.3298 -22.3298 -21.3970 -21.3970 -21.3920 -21.3920 -21.3919 -21.3919 -21.3828 -21.3828 -7.0199 -7.0199 -6.9898 -6.9898 -6.9473 -6.9473 -6.9428 -6.9428 -6.2286 -6.2286 -6.1991 -6.1991 -6.1309 -6.1309 -6.0397 -6.0397 -5.7590 -5.7590 -5.6654 -5.6654 -5.6176 -5.6176 -5.4884 -5.4884 -5.4132 -5.4132 -5.3565 -5.3565 -5.3533 -5.3533 -5.2447 -5.2447 -2.1396 -2.1396 -2.1126 -2.1126 -2.0884 -2.0884 -2.0216 -2.0216 -1.9939 -1.9939 -1.9753 -1.9753 -1.9518 -1.9518 -1.9316 -1.9316 6.4939 6.4939 6.5245 6.5245 6.5977 6.5977 6.6115 6.6115 7.2135 7.2135 7.2583 7.2583 k = 0.4024 0.4024-0.0000 ( 6088 PWs) bands (ev): -22.4041 -22.4041 -22.3541 -22.3541 -22.3540 -22.3540 -22.3264 -22.3264 -21.3977 -21.3977 -21.3923 -21.3923 -21.3921 -21.3921 -21.3815 -21.3815 -7.0248 -7.0248 -6.9897 -6.9897 -6.9448 -6.9448 -6.9359 -6.9359 -6.2323 -6.2323 -6.2070 -6.2070 -6.1248 -6.1248 -6.0258 -6.0258 -5.7663 -5.7663 -5.6699 -5.6699 -5.6149 -5.6149 -5.4691 -5.4691 -5.4266 -5.4266 -5.3666 -5.3666 -5.3616 -5.3616 -5.2349 -5.2349 -2.1526 -2.1526 -2.1241 -2.1241 -2.1008 -2.1008 -2.0199 -2.0199 -1.9866 -1.9866 -1.9696 -1.9696 -1.9448 -1.9448 -1.9211 -1.9211 6.4907 6.4907 6.5240 6.5240 6.6076 6.6076 6.6172 6.6172 7.1968 7.1968 7.2455 7.2455 k = 0.3902 0.3902-0.0000 ( 6084 PWs) bands (ev): -22.4101 -22.4101 -22.3526 -22.3526 -22.3526 -22.3526 -22.3231 -22.3231 -21.3984 -21.3984 -21.3927 -21.3927 -21.3924 -21.3924 -21.3801 -21.3801 -7.0291 -7.0291 -6.9893 -6.9893 -6.9427 -6.9427 -6.9286 -6.9286 -6.2351 -6.2351 -6.2156 -6.2156 -6.1177 -6.1177 -6.0155 -6.0155 -5.7686 -5.7686 -5.6744 -5.6744 -5.6121 -5.6121 -5.4565 -5.4565 -5.4344 -5.4344 -5.3776 -5.3776 -5.3703 -5.3703 -5.2254 -5.2254 -2.1659 -2.1659 -2.1363 -2.1363 -2.1142 -2.1142 -2.0177 -2.0177 -1.9792 -1.9792 -1.9638 -1.9638 -1.9381 -1.9381 -1.9102 -1.9102 6.4884 6.4884 6.5238 6.5238 6.6153 6.6153 6.6223 6.6223 7.1797 7.1797 7.2322 7.2322 k = 0.3780 0.3780-0.0000 ( 6084 PWs) bands (ev): -22.4162 -22.4162 -22.3511 -22.3511 -22.3510 -22.3510 -22.3202 -22.3202 -21.3990 -21.3990 -21.3930 -21.3930 -21.3928 -21.3928 -21.3787 -21.3787 -7.0329 -7.0329 -6.9886 -6.9886 -6.9408 -6.9408 -6.9209 -6.9209 -6.2374 -6.2374 -6.2250 -6.2250 -6.1096 -6.1096 -6.0097 -6.0097 -5.7653 -5.7653 -5.6791 -5.6791 -5.6093 -5.6093 -5.4643 -5.4643 -5.4236 -5.4236 -5.3893 -5.3893 -5.3784 -5.3784 -5.2162 -5.2162 -2.1795 -2.1795 -2.1491 -2.1491 -2.1284 -2.1284 -2.0150 -2.0150 -1.9717 -1.9717 -1.9580 -1.9580 -1.9314 -1.9314 -1.8989 -1.8989 6.4873 6.4873 6.5235 6.5235 6.6150 6.6150 6.6317 6.6317 7.1622 7.1622 7.2188 7.2188 k = 0.3659 0.3659-0.0000 ( 6070 PWs) bands (ev): -22.4224 -22.4224 -22.3493 -22.3493 -22.3493 -22.3493 -22.3174 -22.3174 -21.3996 -21.3996 -21.3935 -21.3935 -21.3932 -21.3932 -21.3773 -21.3773 -7.0360 -7.0360 -6.9877 -6.9877 -6.9390 -6.9390 -6.9129 -6.9129 -6.2401 -6.2401 -6.2346 -6.2346 -6.1003 -6.1003 -6.0086 -6.0086 -5.7564 -5.7564 -5.6839 -5.6839 -5.6062 -5.6062 -5.4792 -5.4792 -5.4105 -5.4105 -5.4015 -5.4015 -5.3831 -5.3831 -5.2073 -5.2073 -2.1932 -2.1932 -2.1626 -2.1626 -2.1431 -2.1431 -2.0120 -2.0120 -1.9643 -1.9643 -1.9523 -1.9523 -1.9247 -1.9247 -1.8875 -1.8875 6.4872 6.4872 6.5224 6.5224 6.6082 6.6082 6.6429 6.6429 7.1444 7.1444 7.2059 7.2059 k = 0.3537 0.3537-0.0000 ( 6070 PWs) bands (ev): -22.4285 -22.4285 -22.3475 -22.3475 -22.3475 -22.3475 -22.3148 -22.3148 -21.4002 -21.4002 -21.3939 -21.3939 -21.3936 -21.3936 -21.3759 -21.3759 -7.0384 -7.0384 -6.9866 -6.9866 -6.9373 -6.9373 -6.9046 -6.9046 -6.2482 -6.2482 -6.2396 -6.2396 -6.0898 -6.0898 -6.0118 -6.0118 -5.7426 -5.7426 -5.6888 -5.6888 -5.6028 -5.6028 -5.4956 -5.4956 -5.4153 -5.4153 -5.4080 -5.4080 -5.3757 -5.3757 -5.1988 -5.1988 -2.2071 -2.2071 -2.1766 -2.1766 -2.1585 -2.1585 -2.0086 -2.0086 -1.9573 -1.9573 -1.9467 -1.9467 -1.9179 -1.9179 -1.8760 -1.8760 6.4881 6.4881 6.5187 6.5187 6.5963 6.5963 6.6546 6.6546 7.1265 7.1265 7.1937 7.1937 k = 0.3415 0.3415-0.0000 ( 6082 PWs) bands (ev): -22.4347 -22.4347 -22.3456 -22.3456 -22.3455 -22.3455 -22.3124 -22.3124 -21.4008 -21.4008 -21.3944 -21.3944 -21.3941 -21.3941 -21.3744 -21.3744 -7.0400 -7.0400 -6.9854 -6.9854 -6.9354 -6.9354 -6.8960 -6.8960 -6.2601 -6.2601 -6.2420 -6.2420 -6.0779 -6.0779 -6.0186 -6.0186 -5.7251 -5.7251 -5.6938 -5.6938 -5.5987 -5.5987 -5.5126 -5.5126 -5.4284 -5.4284 -5.4151 -5.4151 -5.3599 -5.3599 -5.1905 -5.1905 -2.2213 -2.2213 -2.1911 -2.1911 -2.1743 -2.1743 -2.0049 -2.0049 -1.9508 -1.9508 -1.9411 -1.9411 -1.9106 -1.9106 -1.8645 -1.8645 6.4900 6.4900 6.5087 6.5087 6.5822 6.5822 6.6665 6.6665 7.1086 7.1086 7.1795 7.1795 k = 0.3293 0.3293-0.0000 ( 6082 PWs) bands (ev): -22.4408 -22.4408 -22.3435 -22.3435 -22.3435 -22.3435 -22.3103 -22.3103 -21.4013 -21.4013 -21.3949 -21.3949 -21.3946 -21.3946 -21.3729 -21.3729 -7.0408 -7.0408 -6.9842 -6.9842 -6.9332 -6.9332 -6.8872 -6.8872 -6.2731 -6.2731 -6.2445 -6.2445 -6.0648 -6.0648 -6.0280 -6.0280 -5.7057 -5.7057 -5.6986 -5.6986 -5.5936 -5.5936 -5.5299 -5.5299 -5.4418 -5.4418 -5.4239 -5.4239 -5.3425 -5.3425 -5.1826 -5.1826 -2.2356 -2.2356 -2.2062 -2.2062 -2.1906 -2.1906 -2.0010 -2.0010 -1.9450 -1.9450 -1.9357 -1.9357 -1.9028 -1.9028 -1.8531 -1.8531 6.4852 6.4852 6.4941 6.4941 6.5715 6.5715 6.6785 6.6785 7.0908 7.0908 7.1496 7.1496 k = 0.3171 0.3171-0.0000 ( 6070 PWs) bands (ev): -22.4469 -22.4469 -22.3413 -22.3413 -22.3413 -22.3413 -22.3083 -22.3083 -21.4018 -21.4018 -21.3954 -21.3954 -21.3951 -21.3951 -21.3714 -21.3714 -7.0407 -7.0407 -6.9828 -6.9828 -6.9306 -6.9306 -6.8781 -6.8781 -6.2869 -6.2869 -6.2476 -6.2476 -6.0514 -6.0514 -6.0387 -6.0387 -5.7043 -5.7043 -5.6849 -5.6849 -5.5867 -5.5867 -5.5474 -5.5474 -5.4551 -5.4551 -5.4329 -5.4329 -5.3250 -5.3250 -5.1750 -5.1750 -2.2502 -2.2502 -2.2216 -2.2216 -2.2072 -2.2072 -1.9968 -1.9968 -1.9398 -1.9398 -1.9305 -1.9305 -1.8942 -1.8942 -1.8418 -1.8418 6.4486 6.4486 6.4977 6.4977 6.5669 6.5669 6.6907 6.6907 7.0731 7.0731 7.1109 7.1109 k = 0.3049 0.3049-0.0000 ( 6078 PWs) bands (ev): -22.4530 -22.4530 -22.3391 -22.3391 -22.3391 -22.3391 -22.3065 -22.3065 -21.4023 -21.4023 -21.3960 -21.3960 -21.3956 -21.3956 -21.3699 -21.3699 -7.0397 -7.0397 -6.9813 -6.9813 -6.9276 -6.9276 -6.8689 -6.8689 -6.3014 -6.3014 -6.2516 -6.2516 -6.0544 -6.0544 -6.0334 -6.0334 -5.7094 -5.7094 -5.6661 -5.6661 -5.5775 -5.5775 -5.5645 -5.5645 -5.4680 -5.4680 -5.4418 -5.4418 -5.3079 -5.3079 -5.1677 -5.1677 -2.2649 -2.2649 -2.2374 -2.2374 -2.2241 -2.2241 -1.9924 -1.9924 -1.9352 -1.9352 -1.9258 -1.9258 -1.8851 -1.8851 -1.8308 -1.8308 6.4003 6.4003 6.5028 6.5028 6.5664 6.5664 6.7028 6.7028 7.0554 7.0554 7.0752 7.0752 k = 0.2927 0.2927-0.0000 ( 6078 PWs) bands (ev): -22.4590 -22.4590 -22.3368 -22.3368 -22.3368 -22.3368 -22.3049 -22.3049 -21.4027 -21.4027 -21.3966 -21.3966 -21.3962 -21.3962 -21.3684 -21.3684 -7.0379 -7.0379 -6.9797 -6.9797 -6.9241 -6.9241 -6.8595 -6.8595 -6.3165 -6.3165 -6.2564 -6.2564 -6.0685 -6.0685 -6.0174 -6.0174 -5.7146 -5.7146 -5.6506 -5.6506 -5.5833 -5.5833 -5.5624 -5.5624 -5.4800 -5.4800 -5.4505 -5.4505 -5.2912 -5.2912 -5.1607 -5.1607 -2.2798 -2.2798 -2.2536 -2.2536 -2.2412 -2.2412 -1.9880 -1.9880 -1.9312 -1.9312 -1.9216 -1.9216 -1.8753 -1.8753 -1.8200 -1.8200 6.3443 6.3443 6.5089 6.5089 6.5682 6.5682 6.7148 6.7148 7.0358 7.0358 7.0453 7.0453 k = 0.2805 0.2805-0.0000 ( 6090 PWs) bands (ev): -22.4649 -22.4649 -22.3345 -22.3345 -22.3344 -22.3344 -22.3035 -22.3035 -21.4032 -21.4032 -21.3972 -21.3972 -21.3968 -21.3968 -21.3669 -21.3669 -7.0351 -7.0351 -6.9779 -6.9779 -6.9202 -6.9202 -6.8501 -6.8501 -6.3319 -6.3319 -6.2623 -6.2623 -6.0842 -6.0842 -6.0003 -6.0003 -5.7198 -5.7198 -5.6393 -5.6393 -5.5998 -5.5998 -5.5459 -5.5459 -5.4898 -5.4898 -5.4588 -5.4588 -5.2750 -5.2750 -5.1541 -5.1541 -2.2948 -2.2948 -2.2699 -2.2699 -2.2585 -2.2585 -1.9834 -1.9834 -1.9276 -1.9276 -1.9179 -1.9179 -1.8651 -1.8651 -1.8096 -1.8096 6.2836 6.2836 6.5159 6.5159 6.5711 6.5711 6.7267 6.7267 7.0091 7.0091 7.0255 7.0255 k = 0.2683 0.2683-0.0000 ( 6088 PWs) bands (ev): -22.4707 -22.4707 -22.3320 -22.3320 -22.3320 -22.3320 -22.3022 -22.3022 -21.4036 -21.4036 -21.3978 -21.3978 -21.3975 -21.3975 -21.3655 -21.3655 -7.0313 -7.0313 -6.9758 -6.9758 -6.9158 -6.9158 -6.8406 -6.8406 -6.3477 -6.3477 -6.2693 -6.2693 -6.1010 -6.1010 -5.9826 -5.9826 -5.7251 -5.7251 -5.6322 -5.6322 -5.6152 -5.6152 -5.5316 -5.5316 -5.4927 -5.4927 -5.4667 -5.4667 -5.2594 -5.2594 -5.1477 -5.1477 -2.3099 -2.3099 -2.2864 -2.2864 -2.2758 -2.2758 -1.9787 -1.9787 -1.9245 -1.9245 -1.9147 -1.9147 -1.8545 -1.8545 -1.7994 -1.7994 6.2202 6.2202 6.5237 6.5237 6.5747 6.5747 6.7384 6.7384 6.9810 6.9810 7.0095 7.0095 k = 0.2561 0.2561-0.0000 ( 6094 PWs) bands (ev): -22.4764 -22.4764 -22.3296 -22.3296 -22.3296 -22.3296 -22.3011 -22.3011 -21.4040 -21.4040 -21.3985 -21.3985 -21.3981 -21.3981 -21.3640 -21.3640 -7.0267 -7.0267 -6.9733 -6.9733 -6.9110 -6.9110 -6.8311 -6.8311 -6.3636 -6.3636 -6.2775 -6.2775 -6.1188 -6.1188 -5.9648 -5.9648 -5.7304 -5.7304 -5.6348 -5.6348 -5.6225 -5.6225 -5.5301 -5.5301 -5.4794 -5.4794 -5.4740 -5.4740 -5.2444 -5.2444 -5.1417 -5.1417 -2.3252 -2.3252 -2.3030 -2.3030 -2.2932 -2.2932 -1.9741 -1.9741 -1.9218 -1.9218 -1.9119 -1.9119 -1.8437 -1.8437 -1.7897 -1.7897 6.1555 6.1555 6.5322 6.5322 6.5786 6.5786 6.7499 6.7499 6.9538 6.9538 6.9948 6.9948 k = 0.2439 0.2439-0.0000 ( 6094 PWs) bands (ev): -22.4819 -22.4819 -22.3272 -22.3272 -22.3271 -22.3271 -22.3001 -22.3001 -21.4044 -21.4044 -21.3991 -21.3991 -21.3988 -21.3988 -21.3626 -21.3626 -7.0210 -7.0210 -6.9703 -6.9703 -6.9059 -6.9059 -6.8216 -6.8216 -6.3795 -6.3795 -6.2868 -6.2868 -6.1376 -6.1376 -5.9470 -5.9470 -5.7359 -5.7359 -5.6473 -5.6473 -5.6202 -5.6202 -5.5369 -5.5369 -5.4811 -5.4811 -5.4553 -5.4553 -5.2301 -5.2301 -5.1360 -5.1360 -2.3405 -2.3405 -2.3195 -2.3195 -2.3104 -2.3104 -1.9694 -1.9694 -1.9194 -1.9194 -1.9096 -1.9096 -1.8327 -1.8327 -1.7803 -1.7803 6.0907 6.0907 6.5412 6.5412 6.5828 6.5828 6.7611 6.7611 6.9276 6.9276 6.9811 6.9811 k = 0.2317 0.2317-0.0000 ( 6094 PWs) bands (ev): -22.4873 -22.4873 -22.3247 -22.3247 -22.3247 -22.3247 -22.2992 -22.2992 -21.4047 -21.4047 -21.3998 -21.3998 -21.3994 -21.3994 -21.3612 -21.3612 -7.0145 -7.0145 -6.9668 -6.9668 -6.9005 -6.9005 -6.8121 -6.8121 -6.3953 -6.3953 -6.2975 -6.2975 -6.1574 -6.1574 -5.9298 -5.9298 -5.7416 -5.7416 -5.6592 -5.6592 -5.6176 -5.6176 -5.5452 -5.5452 -5.4876 -5.4876 -5.4281 -5.4281 -5.2163 -5.2163 -5.1306 -5.1306 -2.3558 -2.3558 -2.3359 -2.3359 -2.3275 -2.3275 -1.9648 -1.9648 -1.9174 -1.9174 -1.9076 -1.9076 -1.8216 -1.8216 -1.7714 -1.7714 6.0266 6.0266 6.5506 6.5506 6.5870 6.5870 6.7720 6.7720 6.9021 6.9021 6.9685 6.9685 k = 0.2195 0.2195-0.0000 ( 6094 PWs) bands (ev): -22.4925 -22.4925 -22.3223 -22.3223 -22.3222 -22.3222 -22.2985 -22.2985 -21.4051 -21.4051 -21.4005 -21.4005 -21.4001 -21.4001 -21.3598 -21.3598 -7.0069 -7.0069 -6.9627 -6.9627 -6.8949 -6.8949 -6.8027 -6.8027 -6.4109 -6.4109 -6.3093 -6.3093 -6.1781 -6.1781 -5.9134 -5.9134 -5.7477 -5.7477 -5.6691 -5.6691 -5.6156 -5.6156 -5.5535 -5.5535 -5.4935 -5.4935 -5.4000 -5.4000 -5.2032 -5.2032 -5.1255 -5.1255 -2.3710 -2.3710 -2.3521 -2.3521 -2.3444 -2.3444 -1.9602 -1.9602 -1.9157 -1.9157 -1.9060 -1.9060 -1.8106 -1.8106 -1.7629 -1.7629 5.9638 5.9638 6.5601 6.5601 6.5913 6.5913 6.7826 6.7826 6.8775 6.8775 6.9570 6.9570 k = 0.2073 0.2073-0.0000 ( 6106 PWs) bands (ev): -22.4975 -22.4975 -22.3198 -22.3198 -22.3198 -22.3198 -22.2979 -22.2979 -21.4054 -21.4054 -21.4011 -21.4011 -21.4008 -21.4008 -21.3585 -21.3585 -6.9985 -6.9985 -6.9579 -6.9579 -6.8892 -6.8892 -6.7935 -6.7935 -6.4262 -6.4262 -6.3224 -6.3224 -6.1997 -6.1997 -5.8983 -5.8983 -5.7544 -5.7544 -5.6763 -5.6763 -5.6139 -5.6139 -5.5612 -5.5612 -5.4990 -5.4990 -5.3717 -5.3717 -5.1907 -5.1907 -5.1207 -5.1207 -2.3861 -2.3861 -2.3681 -2.3681 -2.3610 -2.3610 -1.9558 -1.9558 -1.9143 -1.9143 -1.9047 -1.9047 -1.7998 -1.7998 -1.7549 -1.7549 5.9029 5.9029 6.5696 6.5696 6.5955 6.5955 6.7928 6.7928 6.8537 6.8537 6.9468 6.9468 k = 0.1951 0.1951-0.0000 ( 6100 PWs) bands (ev): -22.5023 -22.5023 -22.3175 -22.3175 -22.3175 -22.3175 -22.2973 -22.2973 -21.4057 -21.4057 -21.4018 -21.4018 -21.4015 -21.4015 -21.3572 -21.3572 -6.9892 -6.9892 -6.9524 -6.9524 -6.8834 -6.8834 -6.7843 -6.7843 -6.4411 -6.4411 -6.3366 -6.3366 -6.2221 -6.2221 -5.8848 -5.8848 -5.7616 -5.7616 -5.6805 -5.6805 -5.6125 -5.6125 -5.5682 -5.5682 -5.5039 -5.5039 -5.3437 -5.3437 -5.1789 -5.1789 -5.1161 -5.1161 -2.4011 -2.4011 -2.3836 -2.3836 -2.3772 -2.3772 -1.9514 -1.9514 -1.9132 -1.9132 -1.9037 -1.9037 -1.7891 -1.7891 -1.7474 -1.7474 5.8443 5.8443 6.5789 6.5789 6.5997 6.5997 6.8024 6.8024 6.8312 6.8312 6.9380 6.9380 k = 0.1829 0.1829-0.0000 ( 6102 PWs) bands (ev): -22.5069 -22.5069 -22.3152 -22.3152 -22.3151 -22.3151 -22.2969 -22.2969 -21.4060 -21.4060 -21.4024 -21.4024 -21.4021 -21.4021 -21.3560 -21.3560 -6.9791 -6.9791 -6.9462 -6.9462 -6.8775 -6.8775 -6.7753 -6.7753 -6.4555 -6.4555 -6.3518 -6.3518 -6.2452 -6.2452 -5.8731 -5.8731 -5.7694 -5.7694 -5.6815 -5.6815 -5.6113 -5.6113 -5.5744 -5.5744 -5.5082 -5.5082 -5.3162 -5.3162 -5.1678 -5.1678 -5.1119 -5.1119 -2.4157 -2.4157 -2.3988 -2.3988 -2.3930 -2.3930 -1.9473 -1.9473 -1.9123 -1.9123 -1.9030 -1.9030 -1.7787 -1.7787 -1.7404 -1.7404 5.7882 5.7882 6.5875 6.5875 6.6039 6.6039 6.8051 6.8051 6.8162 6.8162 6.9304 6.9304 k = 0.1707 0.1707-0.0000 ( 6096 PWs) bands (ev): -22.5113 -22.5113 -22.3129 -22.3129 -22.3129 -22.3129 -22.2965 -22.2965 -21.4063 -21.4063 -21.4031 -21.4031 -21.4028 -21.4028 -21.3548 -21.3548 -6.9682 -6.9682 -6.9393 -6.9393 -6.8717 -6.8717 -6.7665 -6.7665 -6.4693 -6.4693 -6.3681 -6.3681 -6.2690 -6.2690 -5.8636 -5.8636 -5.7774 -5.7774 -5.6796 -5.6796 -5.6104 -5.6104 -5.5799 -5.5799 -5.5120 -5.5120 -5.2896 -5.2896 -5.1574 -5.1574 -5.1079 -5.1079 -2.4300 -2.4300 -2.4134 -2.4134 -2.4082 -2.4082 -1.9433 -1.9433 -1.9116 -1.9116 -1.9025 -1.9025 -1.7686 -1.7686 -1.7339 -1.7339 5.7349 5.7349 6.5953 6.5953 6.6081 6.6081 6.7864 6.7864 6.8235 6.8235 6.9243 6.9243 k = 0.1585 0.1585-0.0000 ( 6088 PWs) bands (ev): -22.5154 -22.5154 -22.3107 -22.3107 -22.3107 -22.3107 -22.2963 -22.2963 -21.4065 -21.4065 -21.4037 -21.4037 -21.4034 -21.4034 -21.3537 -21.3537 -6.9565 -6.9565 -6.9316 -6.9316 -6.8660 -6.8660 -6.7578 -6.7578 -6.4825 -6.4825 -6.3852 -6.3852 -6.2933 -6.2933 -5.8562 -5.8562 -5.7855 -5.7855 -5.6751 -5.6751 -5.6096 -5.6096 -5.5846 -5.5846 -5.5152 -5.5152 -5.2640 -5.2640 -5.1476 -5.1476 -5.1042 -5.1042 -2.4438 -2.4438 -2.4274 -2.4274 -2.4228 -2.4228 -1.9396 -1.9396 -1.9110 -1.9110 -1.9022 -1.9022 -1.7590 -1.7590 -1.7279 -1.7279 5.6846 5.6846 6.6020 6.6020 6.6123 6.6123 6.7666 6.7666 6.8326 6.8326 6.9195 6.9195 k = 0.1463 0.1463-0.0000 ( 6092 PWs) bands (ev): -22.5193 -22.5193 -22.3087 -22.3087 -22.3087 -22.3087 -22.2960 -22.2960 -21.4068 -21.4068 -21.4043 -21.4043 -21.4041 -21.4041 -21.3526 -21.3526 -6.9442 -6.9442 -6.9233 -6.9233 -6.8605 -6.8605 -6.7493 -6.7493 -6.4949 -6.4949 -6.4030 -6.4030 -6.3181 -6.3181 -5.8507 -5.8507 -5.7933 -5.7933 -5.6687 -5.6687 -5.6089 -5.6089 -5.5887 -5.5887 -5.5178 -5.5178 -5.2397 -5.2397 -5.1385 -5.1385 -5.1007 -5.1007 -2.4571 -2.4571 -2.4408 -2.4408 -2.4368 -2.4368 -1.9362 -1.9362 -1.9106 -1.9106 -1.9021 -1.9021 -1.7498 -1.7498 -1.7223 -1.7223 5.6375 5.6375 6.6074 6.6074 6.6166 6.6166 6.7477 6.7477 6.8419 6.8419 6.9160 6.9160 k = 0.1341 0.1341-0.0000 ( 6082 PWs) bands (ev): -22.5229 -22.5229 -22.3067 -22.3067 -22.3067 -22.3067 -22.2959 -22.2959 -21.4070 -21.4070 -21.4048 -21.4048 -21.4047 -21.4047 -21.3517 -21.3517 -6.9314 -6.9314 -6.9142 -6.9142 -6.8552 -6.8552 -6.7409 -6.7409 -6.5066 -6.5066 -6.4212 -6.4212 -6.3432 -6.3432 -5.8468 -5.8468 -5.8008 -5.8008 -5.6610 -5.6610 -5.6083 -5.6083 -5.5922 -5.5922 -5.5198 -5.5198 -5.2167 -5.2167 -5.1301 -5.1301 -5.0974 -5.0974 -2.4697 -2.4697 -2.4534 -2.4534 -2.4500 -2.4500 -1.9330 -1.9330 -1.9102 -1.9102 -1.9022 -1.9022 -1.7411 -1.7411 -1.7173 -1.7173 5.5937 5.5937 6.6117 6.6117 6.6207 6.6207 6.7300 6.7300 6.8510 6.8510 6.9137 6.9137 k = 0.1220 0.1220-0.0000 ( 6100 PWs) bands (ev): -22.5262 -22.5262 -22.3049 -22.3049 -22.3049 -22.3049 -22.2957 -22.2957 -21.4072 -21.4072 -21.4054 -21.4054 -21.4052 -21.4052 -21.3508 -21.3508 -6.9182 -6.9182 -6.9047 -6.9047 -6.8501 -6.8501 -6.7326 -6.7326 -6.5174 -6.5174 -6.4398 -6.4398 -6.3684 -6.3684 -5.8442 -5.8442 -5.8077 -5.8077 -5.6526 -5.6526 -5.6077 -5.6077 -5.5951 -5.5951 -5.5212 -5.5212 -5.1953 -5.1953 -5.1224 -5.1224 -5.0944 -5.0944 -2.4816 -2.4816 -2.4653 -2.4653 -2.4623 -2.4623 -1.9302 -1.9302 -1.9099 -1.9099 -1.9024 -1.9024 -1.7329 -1.7329 -1.7127 -1.7127 5.5534 5.5534 6.6151 6.6151 6.6244 6.6244 6.7136 6.7136 6.8601 6.8601 6.9123 6.9123 k = 0.1098 0.1098-0.0000 ( 6096 PWs) bands (ev): -22.5293 -22.5293 -22.3032 -22.3032 -22.3032 -22.3032 -22.2957 -22.2957 -21.4074 -21.4074 -21.4059 -21.4059 -21.4057 -21.4057 -21.3499 -21.3499 -6.9047 -6.9047 -6.8946 -6.8946 -6.8454 -6.8454 -6.7243 -6.7243 -6.5273 -6.5273 -6.4585 -6.4585 -6.3937 -6.3937 -5.8426 -5.8426 -5.8140 -5.8140 -5.6441 -5.6441 -5.6073 -5.6073 -5.5975 -5.5975 -5.5219 -5.5219 -5.1757 -5.1757 -5.1155 -5.1155 -5.0916 -5.0916 -2.4927 -2.4927 -2.4762 -2.4762 -2.4737 -2.4737 -1.9278 -1.9278 -1.9096 -1.9096 -1.9027 -1.9027 -1.7254 -1.7254 -1.7086 -1.7086 5.5167 5.5167 6.6179 6.6179 6.6274 6.6274 6.6985 6.6985 6.8689 6.8689 6.9118 6.9118 k = 0.0976 0.0976-0.0000 ( 6098 PWs) bands (ev): -22.5320 -22.5320 -22.3017 -22.3017 -22.3016 -22.3016 -22.2956 -22.2956 -21.4076 -21.4076 -21.4063 -21.4063 -21.4062 -21.4062 -21.3492 -21.3492 -6.8913 -6.8913 -6.8842 -6.8842 -6.8410 -6.8410 -6.7159 -6.7159 -6.5363 -6.5363 -6.4769 -6.4769 -6.4188 -6.4188 -5.8416 -5.8416 -5.8197 -5.8197 -5.6360 -5.6360 -5.6069 -5.6069 -5.5994 -5.5994 -5.5220 -5.5220 -5.1579 -5.1579 -5.1091 -5.1091 -5.0890 -5.0890 -2.5028 -2.5028 -2.4862 -2.4862 -2.4842 -2.4842 -1.9258 -1.9258 -1.9091 -1.9091 -1.9031 -1.9031 -1.7186 -1.7186 -1.7050 -1.7050 5.4836 5.4836 6.6201 6.6201 6.6297 6.6297 6.6848 6.6848 6.8775 6.8775 6.9119 6.9119 k = 0.0854 0.0854-0.0000 ( 6098 PWs) bands (ev): -22.5345 -22.5345 -22.3003 -22.3003 -22.3002 -22.3002 -22.2956 -22.2956 -21.4077 -21.4077 -21.4068 -21.4068 -21.4067 -21.4067 -21.3485 -21.3485 -6.8781 -6.8781 -6.8736 -6.8736 -6.8370 -6.8370 -6.7072 -6.7072 -6.5444 -6.5444 -6.4949 -6.4949 -6.4436 -6.4436 -5.8411 -5.8411 -5.8248 -5.8248 -5.6287 -5.6287 -5.6066 -5.6066 -5.6010 -5.6010 -5.5216 -5.5216 -5.1421 -5.1421 -5.1034 -5.1034 -5.0865 -5.0865 -2.5119 -2.5119 -2.4952 -2.4952 -2.4936 -2.4936 -1.9243 -1.9243 -1.9086 -1.9086 -1.9035 -1.9035 -1.7125 -1.7125 -1.7019 -1.7019 5.4543 5.4543 6.6220 6.6220 6.6314 6.6314 6.6727 6.6727 6.8856 6.8856 6.9123 6.9123 k = 0.0732 0.0732-0.0000 ( 6092 PWs) bands (ev): -22.5366 -22.5366 -22.2990 -22.2990 -22.2990 -22.2990 -22.2955 -22.2955 -21.4078 -21.4078 -21.4071 -21.4071 -21.4071 -21.4071 -21.3479 -21.3479 -6.8654 -6.8654 -6.8630 -6.8630 -6.8335 -6.8335 -6.6982 -6.6982 -6.5514 -6.5514 -6.5121 -6.5121 -6.4679 -6.4679 -5.8409 -5.8409 -5.8292 -5.8292 -5.6223 -5.6223 -5.6064 -5.6064 -5.6022 -5.6022 -5.5206 -5.5206 -5.1287 -5.1287 -5.0981 -5.0981 -5.0842 -5.0842 -2.5200 -2.5200 -2.5032 -2.5032 -2.5019 -2.5019 -1.9231 -1.9231 -1.9080 -1.9080 -1.9039 -1.9039 -1.7071 -1.7071 -1.6991 -1.6991 5.4287 5.4287 6.6234 6.6234 6.6326 6.6326 6.6621 6.6621 6.8931 6.8931 6.9131 6.9131 k = 0.0610 0.0610-0.0000 ( 6088 PWs) bands (ev): -22.5384 -22.5384 -22.2980 -22.2980 -22.2980 -22.2980 -22.2955 -22.2955 -21.4079 -21.4079 -21.4074 -21.4074 -21.4074 -21.4074 -21.3474 -21.3474 -6.8537 -6.8537 -6.8528 -6.8528 -6.8304 -6.8304 -6.6887 -6.6887 -6.5574 -6.5574 -6.5280 -6.5280 -6.4914 -6.4914 -5.8409 -5.8409 -5.8329 -5.8329 -5.6170 -5.6170 -5.6062 -5.6062 -5.6031 -5.6031 -5.5193 -5.5193 -5.1179 -5.1179 -5.0931 -5.0931 -5.0821 -5.0821 -2.5269 -2.5269 -2.5100 -2.5100 -2.5091 -2.5091 -1.9223 -1.9223 -1.9073 -1.9073 -1.9042 -1.9042 -1.7024 -1.7024 -1.6969 -1.6969 5.4070 5.4070 6.6243 6.6243 6.6334 6.6334 6.6532 6.6532 6.8999 6.8999 6.9139 6.9139 k = 0.0488 0.0488-0.0000 ( 6084 PWs) bands (ev): -22.5399 -22.5399 -22.2971 -22.2971 -22.2971 -22.2971 -22.2955 -22.2955 -21.4080 -21.4080 -21.4077 -21.4077 -21.4077 -21.4077 -21.3470 -21.3470 -6.8435 -6.8435 -6.8434 -6.8434 -6.8279 -6.8279 -6.6785 -6.6785 -6.5624 -6.5624 -6.5423 -6.5423 -6.5138 -6.5138 -5.8410 -5.8410 -5.8360 -5.8360 -5.6129 -5.6129 -5.6060 -5.6060 -5.6037 -5.6037 -5.5179 -5.5179 -5.1098 -5.1098 -5.0883 -5.0883 -5.0803 -5.0803 -2.5327 -2.5327 -2.5156 -2.5156 -2.5150 -2.5150 -1.9218 -1.9218 -1.9067 -1.9067 -1.9046 -1.9046 -1.6986 -1.6986 -1.6950 -1.6950 5.3892 5.3892 6.6248 6.6248 6.6340 6.6340 6.6460 6.6460 6.9057 6.9057 6.9148 6.9148 k = 0.0366 0.0366-0.0000 ( 6064 PWs) bands (ev): -22.5411 -22.5411 -22.2964 -22.2964 -22.2964 -22.2964 -22.2955 -22.2955 -21.4081 -21.4081 -21.4079 -21.4079 -21.4079 -21.4079 -21.3467 -21.3467 -6.8353 -6.8353 -6.8349 -6.8349 -6.8259 -6.8259 -6.6678 -6.6678 -6.5662 -6.5662 -6.5543 -6.5543 -6.5345 -6.5345 -5.8412 -5.8412 -5.8383 -5.8383 -5.6100 -5.6100 -5.6058 -5.6058 -5.6041 -5.6041 -5.5164 -5.5164 -5.1043 -5.1043 -5.0837 -5.0837 -5.0787 -5.0787 -2.5372 -2.5372 -2.5200 -2.5200 -2.5197 -2.5197 -1.9214 -1.9214 -1.9061 -1.9061 -1.9048 -1.9048 -1.6956 -1.6956 -1.6936 -1.6936 5.3753 5.3753 6.6248 6.6248 6.6344 6.6344 6.6407 6.6407 6.9104 6.9104 6.9156 6.9156 k = 0.0244 0.0244-0.0000 ( 6048 PWs) bands (ev): -22.5419 -22.5419 -22.2959 -22.2959 -22.2959 -22.2959 -22.2955 -22.2955 -21.4081 -21.4081 -21.4081 -21.4081 -21.4080 -21.4080 -21.3465 -21.3465 -6.8289 -6.8289 -6.8285 -6.8285 -6.8244 -6.8244 -6.6572 -6.6572 -6.5690 -6.5690 -6.5634 -6.5634 -6.5525 -6.5525 -5.8413 -5.8413 -5.8400 -5.8400 -5.6083 -5.6083 -5.6053 -5.6053 -5.6044 -5.6044 -5.5153 -5.5153 -5.1009 -5.1009 -5.0799 -5.0799 -5.0776 -5.0776 -2.5404 -2.5404 -2.5232 -2.5232 -2.5230 -2.5230 -1.9212 -1.9212 -1.9056 -1.9056 -1.9050 -1.9050 -1.6934 -1.6934 -1.6925 -1.6925 5.3653 5.3653 6.6245 6.6245 6.6346 6.6346 6.6373 6.6373 6.9138 6.9138 6.9161 6.9161 k = 0.0122 0.0122-0.0000 ( 6042 PWs) bands (ev): -22.5424 -22.5424 -22.2956 -22.2956 -22.2956 -22.2956 -22.2955 -22.2955 -21.4082 -21.4082 -21.4081 -21.4081 -21.4081 -21.4081 -21.3463 -21.3463 -6.8248 -6.8248 -6.8245 -6.8245 -6.8235 -6.8235 -6.6484 -6.6484 -6.5707 -6.5707 -6.5692 -6.5692 -6.5659 -6.5659 -5.8413 -5.8413 -5.8410 -5.8410 -5.6077 -5.6077 -5.6047 -5.6047 -5.6045 -5.6045 -5.5145 -5.5145 -5.0991 -5.0991 -5.0775 -5.0775 -5.0768 -5.0768 -2.5424 -2.5424 -2.5251 -2.5251 -2.5250 -2.5250 -1.9211 -1.9211 -1.9053 -1.9053 -1.9052 -1.9052 -1.6921 -1.6921 -1.6919 -1.6919 5.3594 5.3594 6.6240 6.6240 6.6348 6.6348 6.6354 6.6354 6.9159 6.9159 6.9165 6.9165 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -22.5426 -22.5426 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.3463 -21.3463 -6.8236 -6.8236 -6.8231 -6.8231 -6.8231 -6.8231 -6.6447 -6.6447 -6.5718 -6.5718 -6.5709 -6.5709 -6.5709 -6.5709 -5.8414 -5.8414 -5.8414 -5.8414 -5.6075 -5.6075 -5.6045 -5.6045 -5.6045 -5.6045 -5.5142 -5.5142 -5.0986 -5.0986 -5.0766 -5.0766 -5.0766 -5.0766 -2.5431 -2.5431 -2.5257 -2.5257 -2.5257 -2.5257 -1.9211 -1.9211 -1.9052 -1.9052 -1.9052 -1.9052 -1.6917 -1.6917 -1.6917 -1.6917 5.3574 5.3574 6.6237 6.6237 6.6348 6.6348 6.6348 6.6348 6.9166 6.9166 6.9166 6.9166 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -22.5426 -22.5426 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -22.2955 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.4082 -21.3463 -21.3463 -6.8236 -6.8236 -6.8231 -6.8231 -6.8231 -6.8231 -6.6447 -6.6447 -6.5718 -6.5718 -6.5709 -6.5709 -6.5709 -6.5709 -5.8414 -5.8414 -5.8414 -5.8414 -5.6075 -5.6075 -5.6045 -5.6045 -5.6045 -5.6045 -5.5142 -5.5142 -5.0986 -5.0986 -5.0766 -5.0766 -5.0766 -5.0766 -2.5431 -2.5431 -2.5257 -2.5257 -2.5257 -2.5257 -1.9211 -1.9211 -1.9052 -1.9052 -1.9052 -1.9052 -1.6917 -1.6917 -1.6917 -1.6917 5.3574 5.3574 6.6237 6.6237 6.6348 6.6348 6.6348 6.6348 6.9166 6.9166 6.9166 6.9166 k = 0.0100 0.0100 0.0100 ( 6043 PWs) bands (ev): -22.5424 -22.5424 -22.2956 -22.2956 -22.2956 -22.2956 -22.2956 -22.2956 -21.4082 -21.4082 -21.4081 -21.4081 -21.4081 -21.4081 -21.3463 -21.3463 -6.8251 -6.8251 -6.8240 -6.8240 -6.8237 -6.8237 -6.6484 -6.6484 -6.5705 -6.5705 -6.5699 -6.5699 -6.5654 -6.5654 -5.8412 -5.8412 -5.8412 -5.8412 -5.6077 -5.6077 -5.6046 -5.6046 -5.6046 -5.6046 -5.5145 -5.5145 -5.0991 -5.0991 -5.0775 -5.0775 -5.0768 -5.0768 -2.5424 -2.5424 -2.5251 -2.5251 -2.5250 -2.5250 -1.9211 -1.9211 -1.9053 -1.9053 -1.9052 -1.9052 -1.6920 -1.6920 -1.6920 -1.6920 5.3594 5.3594 6.6240 6.6240 6.6348 6.6348 6.6354 6.6354 6.9162 6.9162 6.9162 6.9162 k = 0.0200 0.0200 0.0200 ( 6055 PWs) bands (ev): -22.5419 -22.5419 -22.2958 -22.2958 -22.2958 -22.2958 -22.2958 -22.2958 -21.4081 -21.4081 -21.4081 -21.4081 -21.4080 -21.4080 -21.3465 -21.3465 -6.8302 -6.8302 -6.8260 -6.8260 -6.8257 -6.8257 -6.6570 -6.6570 -6.5674 -6.5674 -6.5668 -6.5668 -6.5508 -6.5508 -5.8406 -5.8406 -5.8406 -5.8406 -5.6081 -5.6081 -5.6050 -5.6050 -5.6049 -5.6049 -5.5153 -5.5153 -5.1010 -5.1010 -5.0801 -5.0801 -5.0774 -5.0774 -2.5404 -2.5404 -2.5231 -2.5231 -2.5230 -2.5230 -1.9212 -1.9212 -1.9054 -1.9054 -1.9053 -1.9053 -1.6930 -1.6930 -1.6930 -1.6930 5.3654 5.3654 6.6245 6.6245 6.6347 6.6347 6.6372 6.6372 6.9149 6.9149 6.9150 6.9150 k = 0.0300 0.0300 0.0300 ( 6067 PWs) bands (ev): -22.5410 -22.5410 -22.2961 -22.2961 -22.2961 -22.2961 -22.2961 -22.2961 -21.4080 -21.4080 -21.4080 -21.4080 -21.4079 -21.4079 -21.3467 -21.3467 -6.8385 -6.8385 -6.8290 -6.8290 -6.8287 -6.8287 -6.6671 -6.6671 -6.5624 -6.5624 -6.5618 -6.5618 -6.5312 -6.5312 -5.8398 -5.8398 -5.8397 -5.8397 -5.6088 -5.6088 -5.6058 -5.6058 -5.6055 -5.6055 -5.5164 -5.5164 -5.1045 -5.1045 -5.0838 -5.0838 -5.0785 -5.0785 -2.5371 -2.5371 -2.5200 -2.5200 -2.5196 -2.5196 -1.9214 -1.9214 -1.9056 -1.9056 -1.9053 -1.9053 -1.6946 -1.6946 -1.6946 -1.6946 5.3754 5.3754 6.6249 6.6249 6.6345 6.6345 6.6405 6.6405 6.9128 6.9128 6.9131 6.9131 k = 0.0400 0.0400 0.0400 ( 6079 PWs) bands (ev): -22.5399 -22.5399 -22.2966 -22.2966 -22.2966 -22.2966 -22.2966 -22.2966 -21.4079 -21.4079 -21.4079 -21.4079 -21.4076 -21.4076 -21.3470 -21.3470 -6.8495 -6.8495 -6.8331 -6.8331 -6.8327 -6.8327 -6.6769 -6.6769 -6.5557 -6.5557 -6.5551 -6.5551 -6.5085 -6.5085 -5.8385 -5.8385 -5.8384 -5.8384 -5.6099 -5.6099 -5.6069 -5.6069 -5.6061 -5.6061 -5.5176 -5.5176 -5.1106 -5.1106 -5.0880 -5.0880 -5.0800 -5.0800 -2.5326 -2.5326 -2.5155 -2.5155 -2.5149 -2.5149 -1.9216 -1.9216 -1.9060 -1.9060 -1.9054 -1.9054 -1.6969 -1.6969 -1.6968 -1.6968 5.3894 5.3894 6.6250 6.6250 6.6341 6.6341 6.6457 6.6457 6.9100 6.9100 6.9105 6.9105 k = 0.0500 0.0500 0.0500 ( 6088 PWs) bands (ev): -22.5384 -22.5384 -22.2972 -22.2972 -22.2972 -22.2972 -22.2971 -22.2971 -21.4077 -21.4077 -21.4077 -21.4077 -21.4073 -21.4073 -21.3474 -21.3474 -6.8625 -6.8625 -6.8378 -6.8378 -6.8375 -6.8375 -6.6861 -6.6861 -6.5476 -6.5476 -6.5469 -6.5469 -6.4840 -6.4840 -5.8369 -5.8369 -5.8367 -5.8367 -5.6119 -5.6119 -5.6081 -5.6081 -5.6069 -5.6069 -5.5187 -5.5187 -5.1196 -5.1196 -5.0919 -5.0919 -5.0819 -5.0819 -2.5268 -2.5268 -2.5099 -2.5099 -2.5089 -2.5089 -1.9219 -1.9219 -1.9064 -1.9064 -1.9056 -1.9056 -1.6997 -1.6997 -1.6997 -1.6997 5.4074 5.4074 6.6246 6.6246 6.6335 6.6335 6.6526 6.6526 6.9066 6.9066 6.9073 6.9073 k = 0.0600 0.0600 0.0600 ( 6100 PWs) bands (ev): -22.5365 -22.5365 -22.2980 -22.2980 -22.2979 -22.2979 -22.2978 -22.2978 -21.4075 -21.4075 -21.4075 -21.4075 -21.4070 -21.4070 -21.3479 -21.3479 -6.8770 -6.8770 -6.8431 -6.8431 -6.8428 -6.8428 -6.6946 -6.6946 -6.5383 -6.5383 -6.5376 -6.5376 -6.4582 -6.4582 -5.8350 -5.8350 -5.8347 -5.8347 -5.6151 -5.6151 -5.6093 -5.6093 -5.6077 -5.6077 -5.5194 -5.5194 -5.1316 -5.1316 -5.0956 -5.0956 -5.0842 -5.0842 -2.5198 -2.5198 -2.5031 -2.5031 -2.5017 -2.5017 -1.9223 -1.9223 -1.9069 -1.9069 -1.9058 -1.9058 -1.7032 -1.7032 -1.7031 -1.7031 5.4293 5.4293 6.6237 6.6237 6.6325 6.6325 6.6613 6.6613 6.9028 6.9028 6.9037 6.9037 k = 0.0700 0.0700 0.0700 ( 6100 PWs) bands (ev): -22.5344 -22.5344 -22.2988 -22.2988 -22.2987 -22.2987 -22.2987 -22.2987 -21.4073 -21.4073 -21.4073 -21.4073 -21.4065 -21.4065 -21.3485 -21.3485 -6.8923 -6.8923 -6.8488 -6.8488 -6.8485 -6.8485 -6.7026 -6.7026 -6.5281 -6.5281 -6.5274 -6.5274 -6.4315 -6.4315 -5.8327 -5.8327 -5.8323 -5.8323 -5.6199 -5.6199 -5.6103 -5.6103 -5.6084 -5.6084 -5.5192 -5.5192 -5.1464 -5.1464 -5.0992 -5.0992 -5.0869 -5.0869 -2.5117 -2.5117 -2.4951 -2.4951 -2.4933 -2.4933 -1.9228 -1.9228 -1.9076 -1.9076 -1.9061 -1.9061 -1.7073 -1.7073 -1.7072 -1.7072 5.4550 5.4550 6.6222 6.6222 6.6310 6.6310 6.6718 6.6718 6.8986 6.8986 6.8998 6.8998 k = 0.0800 0.0800 0.0800 ( 6103 PWs) bands (ev): -22.5319 -22.5319 -22.2998 -22.2998 -22.2996 -22.2996 -22.2996 -22.2996 -21.4070 -21.4070 -21.4070 -21.4070 -21.4060 -21.4060 -21.3492 -21.3492 -6.9082 -6.9082 -6.8546 -6.8546 -6.8543 -6.8543 -6.7103 -6.7103 -6.5172 -6.5172 -6.5166 -6.5166 -6.4043 -6.4043 -5.8301 -5.8301 -5.8296 -5.8296 -5.6263 -5.6263 -5.6110 -5.6110 -5.6089 -5.6089 -5.5181 -5.5181 -5.1637 -5.1637 -5.1029 -5.1029 -5.0900 -5.0900 -2.5026 -2.5026 -2.4861 -2.4861 -2.4838 -2.4838 -1.9234 -1.9234 -1.9083 -1.9083 -1.9064 -1.9064 -1.7120 -1.7120 -1.7118 -1.7118 5.4845 5.4845 6.6201 6.6201 6.6289 6.6289 6.6838 6.6838 6.8944 6.8944 6.8959 6.8959 k = 0.0900 0.0900 0.0900 ( 6097 PWs) bands (ev): -22.5292 -22.5292 -22.3009 -22.3009 -22.3006 -22.3006 -22.3006 -22.3006 -21.4067 -21.4067 -21.4067 -21.4067 -21.4055 -21.4055 -21.3500 -21.3500 -6.9242 -6.9242 -6.8604 -6.8604 -6.8602 -6.8602 -6.7178 -6.7178 -6.5060 -6.5060 -6.5054 -6.5054 -6.3767 -6.3767 -5.8271 -5.8271 -5.8266 -5.8266 -5.6343 -5.6343 -5.6114 -5.6114 -5.6091 -5.6091 -5.5159 -5.5159 -5.1832 -5.1832 -5.1067 -5.1067 -5.0935 -5.0935 -2.4925 -2.4925 -2.4761 -2.4761 -2.4733 -2.4733 -1.9242 -1.9242 -1.9093 -1.9093 -1.9069 -1.9069 -1.7173 -1.7173 -1.7170 -1.7170 5.5178 5.5178 6.6171 6.6171 6.6261 6.6261 6.6975 6.6975 6.8902 6.8902 6.8921 6.8921 k = 0.1000 0.1000 0.1000 ( 6079 PWs) bands (ev): -22.5261 -22.5261 -22.3021 -22.3021 -22.3018 -22.3018 -22.3018 -22.3018 -21.4064 -21.4064 -21.4064 -21.4064 -21.4049 -21.4049 -21.3508 -21.3508 -6.9401 -6.9401 -6.8661 -6.8661 -6.8659 -6.8659 -6.7252 -6.7252 -6.4947 -6.4947 -6.4940 -6.4940 -6.3491 -6.3491 -5.8238 -5.8238 -5.8231 -5.8231 -5.6438 -5.6438 -5.6115 -5.6115 -5.6090 -5.6090 -5.5126 -5.5126 -5.2048 -5.2048 -5.1108 -5.1108 -5.0973 -5.0973 -2.4815 -2.4815 -2.4651 -2.4651 -2.4618 -2.4618 -1.9250 -1.9250 -1.9103 -1.9103 -1.9074 -1.9074 -1.7231 -1.7231 -1.7228 -1.7228 5.5548 5.5548 6.6134 6.6134 6.6225 6.6225 6.7127 6.7127 6.8863 6.8863 6.8884 6.8884 k = 0.1100 0.1100 0.1100 ( 6091 PWs) bands (ev): -22.5228 -22.5228 -22.3034 -22.3034 -22.3030 -22.3030 -22.3030 -22.3030 -21.4061 -21.4061 -21.4061 -21.4061 -21.4043 -21.4043 -21.3517 -21.3517 -6.9556 -6.9556 -6.8716 -6.8716 -6.8714 -6.8714 -6.7325 -6.7325 -6.4834 -6.4834 -6.4828 -6.4828 -6.3216 -6.3216 -5.8200 -5.8200 -5.8193 -5.8193 -5.6544 -5.6544 -5.6110 -5.6110 -5.6084 -5.6084 -5.5084 -5.5084 -5.2283 -5.2283 -5.1151 -5.1151 -5.1015 -5.1015 -2.4698 -2.4698 -2.4532 -2.4532 -2.4495 -2.4495 -1.9261 -1.9261 -1.9115 -1.9115 -1.9081 -1.9081 -1.7295 -1.7295 -1.7291 -1.7291 5.5954 5.5954 6.6086 6.6086 6.6179 6.6179 6.7294 6.7294 6.8827 6.8827 6.8851 6.8851 k = 0.1200 0.1200 0.1200 ( 6097 PWs) bands (ev): -22.5192 -22.5192 -22.3048 -22.3048 -22.3044 -22.3044 -22.3043 -22.3043 -21.4057 -21.4057 -21.4057 -21.4057 -21.4037 -21.4037 -21.3527 -21.3527 -6.9705 -6.9705 -6.8768 -6.8768 -6.8765 -6.8765 -6.7399 -6.7399 -6.4725 -6.4725 -6.4718 -6.4718 -6.2946 -6.2946 -5.8158 -5.8158 -5.8151 -5.8151 -5.6661 -5.6661 -5.6100 -5.6100 -5.6072 -5.6072 -5.5034 -5.5034 -5.2535 -5.2535 -5.1198 -5.1198 -5.1060 -5.1060 -2.4573 -2.4573 -2.4406 -2.4406 -2.4363 -2.4363 -1.9274 -1.9274 -1.9129 -1.9129 -1.9090 -1.9090 -1.7364 -1.7364 -1.7359 -1.7359 5.6395 5.6395 6.6029 6.6029 6.6122 6.6122 6.7476 6.7476 6.8796 6.8796 6.8823 6.8823 k = 0.1300 0.1300 0.1300 ( 6097 PWs) bands (ev): -22.5153 -22.5153 -22.3062 -22.3062 -22.3058 -22.3058 -22.3058 -22.3058 -21.4053 -21.4053 -21.4053 -21.4053 -21.4030 -21.4030 -21.3538 -21.3538 -6.9848 -6.9848 -6.8815 -6.8815 -6.8813 -6.8813 -6.7473 -6.7473 -6.4621 -6.4621 -6.4614 -6.4614 -6.2683 -6.2683 -5.8111 -5.8111 -5.8103 -5.8103 -5.6782 -5.6782 -5.6083 -5.6083 -5.6054 -5.6054 -5.4977 -5.4977 -5.2803 -5.2803 -5.1247 -5.1247 -5.1109 -5.1109 -2.4442 -2.4442 -2.4272 -2.4272 -2.4225 -2.4225 -1.9288 -1.9288 -1.9145 -1.9145 -1.9101 -1.9101 -1.7438 -1.7438 -1.7432 -1.7432 5.6870 5.6870 6.5963 6.5963 6.6056 6.6056 6.7672 6.7672 6.8770 6.8770 6.8799 6.8799 k = 0.1400 0.1400 0.1400 ( 6097 PWs) bands (ev): -22.5112 -22.5112 -22.3078 -22.3078 -22.3073 -22.3073 -22.3073 -22.3073 -21.4049 -21.4049 -21.4049 -21.4049 -21.4023 -21.4023 -21.3549 -21.3549 -6.9983 -6.9983 -6.8859 -6.8859 -6.8857 -6.8857 -6.7547 -6.7547 -6.4523 -6.4523 -6.4517 -6.4517 -6.2432 -6.2432 -5.8058 -5.8058 -5.8050 -5.8050 -5.6907 -5.6907 -5.6059 -5.6059 -5.6029 -5.6029 -5.4915 -5.4915 -5.3083 -5.3083 -5.1300 -5.1300 -5.1160 -5.1160 -2.4305 -2.4305 -2.4132 -2.4132 -2.4082 -2.4082 -1.9305 -1.9305 -1.9163 -1.9163 -1.9114 -1.9114 -1.7516 -1.7516 -1.7509 -1.7509 5.7377 5.7377 6.5886 6.5886 6.5980 6.5980 6.7883 6.7883 6.8749 6.8749 6.8779 6.8779 k = 0.1500 0.1500 0.1500 ( 6088 PWs) bands (ev): -22.5068 -22.5068 -22.3094 -22.3094 -22.3089 -22.3089 -22.3089 -22.3089 -21.4045 -21.4045 -21.4045 -21.4045 -21.4017 -21.4017 -21.3561 -21.3561 -7.0109 -7.0109 -6.8897 -6.8897 -6.8895 -6.8895 -6.7621 -6.7621 -6.4435 -6.4435 -6.4429 -6.4429 -6.2195 -6.2195 -5.7998 -5.7998 -5.7990 -5.7990 -5.7029 -5.7029 -5.6027 -5.6027 -5.5996 -5.5996 -5.4851 -5.4851 -5.3374 -5.3374 -5.1354 -5.1354 -5.1215 -5.1215 -2.4164 -2.4164 -2.3986 -2.3986 -2.3933 -2.3933 -1.9323 -1.9323 -1.9182 -1.9182 -1.9129 -1.9129 -1.7599 -1.7599 -1.7591 -1.7591 5.7917 5.7917 6.5802 6.5802 6.5895 6.5895 6.8106 6.8106 6.8731 6.8731 6.8762 6.8762 k = 0.1600 0.1600 0.1600 ( 6112 PWs) bands (ev): -22.5022 -22.5022 -22.3111 -22.3111 -22.3105 -22.3105 -22.3105 -22.3105 -21.4041 -21.4041 -21.4041 -21.4041 -21.4010 -21.4010 -21.3573 -21.3573 -7.0226 -7.0226 -6.8931 -6.8931 -6.8929 -6.8929 -6.7694 -6.7694 -6.4358 -6.4358 -6.4352 -6.4352 -6.1979 -6.1979 -5.7931 -5.7931 -5.7922 -5.7922 -5.7144 -5.7144 -5.5987 -5.5987 -5.5956 -5.5956 -5.4789 -5.4789 -5.3669 -5.3669 -5.1412 -5.1412 -5.1272 -5.1272 -2.4019 -2.4019 -2.3836 -2.3836 -2.3780 -2.3780 -1.9344 -1.9344 -1.9204 -1.9204 -1.9147 -1.9147 -1.7686 -1.7686 -1.7677 -1.7677 5.8488 5.8488 6.5711 6.5711 6.5802 6.5802 6.8340 6.8340 6.8714 6.8714 6.8749 6.8749 k = 0.1700 0.1700 0.1700 ( 6112 PWs) bands (ev): -22.4974 -22.4974 -22.3129 -22.3129 -22.3123 -22.3123 -22.3122 -22.3122 -21.4037 -21.4037 -21.4037 -21.4037 -21.4003 -21.4003 -21.3586 -21.3586 -7.0334 -7.0334 -6.8959 -6.8959 -6.8957 -6.8957 -6.7767 -6.7767 -6.4293 -6.4293 -6.4287 -6.4287 -6.1788 -6.1788 -5.7854 -5.7854 -5.7847 -5.7847 -5.7249 -5.7249 -5.5939 -5.5939 -5.5907 -5.5907 -5.4738 -5.4738 -5.3957 -5.3957 -5.1472 -5.1472 -5.1332 -5.1332 -2.3871 -2.3871 -2.3683 -2.3683 -2.3624 -2.3624 -1.9367 -1.9367 -1.9229 -1.9229 -1.9167 -1.9167 -1.7777 -1.7777 -1.7767 -1.7767 5.9088 5.9088 6.5614 6.5614 6.5704 6.5704 6.8572 6.8572 6.8698 6.8698 6.8750 6.8750 k = 0.1800 0.1800 0.1800 ( 6082 PWs) bands (ev): -22.4924 -22.4924 -22.3147 -22.3147 -22.3140 -22.3140 -22.3140 -22.3140 -21.4032 -21.4032 -21.4032 -21.4032 -21.3996 -21.3996 -21.3599 -21.3599 -7.0430 -7.0430 -6.8981 -6.8981 -6.8979 -6.8979 -6.7838 -6.7838 -6.4240 -6.4240 -6.4236 -6.4236 -6.1629 -6.1629 -5.7768 -5.7768 -5.7762 -5.7762 -5.7336 -5.7336 -5.5883 -5.5883 -5.5851 -5.5851 -5.4733 -5.4733 -5.4202 -5.4202 -5.1534 -5.1534 -5.1393 -5.1393 -2.3721 -2.3721 -2.3527 -2.3527 -2.3466 -2.3466 -1.9393 -1.9393 -1.9255 -1.9255 -1.9190 -1.9190 -1.7872 -1.7872 -1.7861 -1.7861 5.9716 5.9716 6.5514 6.5514 6.5602 6.5602 6.8674 6.8674 6.8678 6.8678 6.8891 6.8891 k = 0.1900 0.1900 0.1900 ( 6082 PWs) bands (ev): -22.4873 -22.4873 -22.3165 -22.3165 -22.3158 -22.3158 -22.3158 -22.3158 -21.4028 -21.4028 -21.4028 -21.4028 -21.3989 -21.3989 -21.3613 -21.3613 -7.0516 -7.0516 -6.8997 -6.8997 -6.8995 -6.8995 -6.7908 -6.7908 -6.4202 -6.4202 -6.4198 -6.4198 -6.1508 -6.1508 -5.7671 -5.7671 -5.7667 -5.7667 -5.7404 -5.7404 -5.5820 -5.5820 -5.5788 -5.5788 -5.4856 -5.4856 -5.4318 -5.4318 -5.1598 -5.1598 -5.1458 -5.1458 -2.3568 -2.3568 -2.3369 -2.3369 -2.3307 -2.3307 -1.9421 -1.9421 -1.9284 -1.9284 -1.9216 -1.9216 -1.7970 -1.7970 -1.7957 -1.7957 6.0370 6.0370 6.5412 6.5412 6.5499 6.5499 6.8653 6.8653 6.8660 6.8660 6.9153 6.9153 k = 0.2000 0.2000 0.2000 ( 6088 PWs) bands (ev): -22.4819 -22.4819 -22.3184 -22.3184 -22.3177 -22.3177 -22.3176 -22.3176 -21.4023 -21.4023 -21.4023 -21.4023 -21.3983 -21.3983 -21.3627 -21.3627 -7.0591 -7.0591 -6.9008 -6.9008 -6.9006 -6.9006 -6.7976 -6.7976 -6.4179 -6.4179 -6.4175 -6.4175 -6.1430 -6.1430 -5.7567 -5.7567 -5.7564 -5.7564 -5.7449 -5.7449 -5.5750 -5.5750 -5.5718 -5.5718 -5.5099 -5.5099 -5.4306 -5.4306 -5.1664 -5.1664 -5.1523 -5.1523 -2.3415 -2.3415 -2.3211 -2.3211 -2.3148 -2.3148 -1.9452 -1.9452 -1.9316 -1.9316 -1.9245 -1.9245 -1.8071 -1.8071 -1.8057 -1.8057 6.1049 6.1049 6.5311 6.5311 6.5395 6.5395 6.8619 6.8619 6.8625 6.8625 6.9438 6.9438 k = 0.2100 0.2100 0.2100 ( 6091 PWs) bands (ev): -22.4765 -22.4765 -22.3203 -22.3203 -22.3195 -22.3195 -22.3195 -22.3195 -21.4019 -21.4019 -21.4019 -21.4019 -21.3977 -21.3977 -21.3641 -21.3641 -7.0654 -7.0654 -6.9013 -6.9013 -6.9011 -6.9011 -6.8041 -6.8041 -6.4171 -6.4171 -6.4167 -6.4167 -6.1397 -6.1397 -5.7510 -5.7510 -5.7445 -5.7445 -5.7425 -5.7425 -5.5675 -5.5675 -5.5641 -5.5641 -5.5373 -5.5373 -5.4246 -5.4246 -5.1731 -5.1731 -5.1591 -5.1591 -2.3261 -2.3261 -2.3052 -2.3052 -2.2989 -2.2989 -1.9485 -1.9485 -1.9350 -1.9350 -1.9277 -1.9277 -1.8174 -1.8174 -1.8159 -1.8159 6.1751 6.1751 6.5212 6.5212 6.5294 6.5294 6.8574 6.8574 6.8578 6.8578 6.9737 6.9737 k = 0.2200 0.2200 0.2200 ( 6091 PWs) bands (ev): -22.4709 -22.4709 -22.3222 -22.3222 -22.3214 -22.3214 -22.3214 -22.3214 -21.4014 -21.4014 -21.4014 -21.4014 -21.3971 -21.3971 -21.3656 -21.3656 -7.0706 -7.0706 -6.9012 -6.9012 -6.9010 -6.9010 -6.8103 -6.8103 -6.4177 -6.4177 -6.4174 -6.4174 -6.1411 -6.1411 -5.7536 -5.7536 -5.7316 -5.7316 -5.7307 -5.7307 -5.5652 -5.5652 -5.5572 -5.5572 -5.5559 -5.5559 -5.4170 -5.4170 -5.1800 -5.1800 -5.1660 -5.1660 -2.3107 -2.3107 -2.2895 -2.2895 -2.2832 -2.2832 -1.9521 -1.9521 -1.9386 -1.9386 -1.9311 -1.9311 -1.8279 -1.8279 -1.8263 -1.8263 6.2473 6.2473 6.5117 6.5117 6.5197 6.5197 6.8516 6.8516 6.8516 6.8516 7.0048 7.0048 k = 0.2300 0.2300 0.2300 ( 6085 PWs) bands (ev): -22.4653 -22.4653 -22.3241 -22.3241 -22.3233 -22.3233 -22.3233 -22.3233 -21.4010 -21.4010 -21.4010 -21.4010 -21.3965 -21.3965 -21.3671 -21.3671 -7.0746 -7.0746 -6.9005 -6.9005 -6.9003 -6.9003 -6.8162 -6.8162 -6.4197 -6.4197 -6.4195 -6.4195 -6.1470 -6.1470 -5.7598 -5.7598 -5.7176 -5.7176 -5.7171 -5.7171 -5.5847 -5.5847 -5.5497 -5.5497 -5.5471 -5.5471 -5.4088 -5.4088 -5.1870 -5.1870 -5.1730 -5.1730 -2.2954 -2.2954 -2.2740 -2.2740 -2.2677 -2.2677 -1.9559 -1.9559 -1.9425 -1.9425 -1.9349 -1.9349 -1.8387 -1.8387 -1.8369 -1.8369 6.3214 6.3214 6.5029 6.5029 6.5106 6.5106 6.8439 6.8439 6.8443 6.8443 7.0371 7.0371 k = 0.2400 0.2400 0.2400 ( 6082 PWs) bands (ev): -22.4595 -22.4595 -22.3261 -22.3261 -22.3253 -22.3253 -22.3252 -22.3252 -21.4005 -21.4005 -21.4005 -21.4005 -21.3960 -21.3960 -21.3686 -21.3686 -7.0774 -7.0774 -6.8992 -6.8992 -6.8991 -6.8991 -6.8216 -6.8216 -6.4230 -6.4230 -6.4229 -6.4229 -6.1567 -6.1567 -5.7719 -5.7719 -5.7027 -5.7027 -5.7024 -5.7024 -5.5973 -5.5973 -5.5405 -5.5405 -5.5379 -5.5379 -5.4004 -5.4004 -5.1940 -5.1940 -5.1800 -5.1800 -2.2802 -2.2802 -2.2587 -2.2587 -2.2525 -2.2525 -1.9600 -1.9600 -1.9467 -1.9467 -1.9389 -1.9389 -1.8495 -1.8495 -1.8476 -1.8476 6.3970 6.3970 6.4947 6.4947 6.5023 6.5023 6.8347 6.8347 6.8357 6.8357 7.0705 7.0705 k = 0.2500 0.2500 0.2500 ( 6106 PWs) bands (ev): -22.4537 -22.4537 -22.3280 -22.3280 -22.3272 -22.3272 -22.3272 -22.3272 -21.4001 -21.4001 -21.4001 -21.4001 -21.3956 -21.3956 -21.3701 -21.3701 -7.0790 -7.0790 -6.8975 -6.8975 -6.8973 -6.8973 -6.8267 -6.8267 -6.4276 -6.4276 -6.4275 -6.4275 -6.1698 -6.1698 -5.7917 -5.7917 -5.6868 -5.6868 -5.6868 -5.6868 -5.6004 -5.6004 -5.5309 -5.5309 -5.5284 -5.5284 -5.3918 -5.3918 -5.2011 -5.2011 -5.1871 -5.1871 -2.2652 -2.2652 -2.2437 -2.2437 -2.2376 -2.2376 -1.9643 -1.9643 -1.9510 -1.9510 -1.9432 -1.9432 -1.8605 -1.8605 -1.8585 -1.8585 6.4738 6.4738 6.4875 6.4875 6.4948 6.4948 6.8241 6.8241 6.8255 6.8255 7.1052 7.1052 k = 0.2600 0.2600 0.2600 ( 6088 PWs) bands (ev): -22.4479 -22.4479 -22.3299 -22.3299 -22.3291 -22.3291 -22.3291 -22.3291 -21.3997 -21.3997 -21.3997 -21.3997 -21.3951 -21.3951 -21.3716 -21.3716 -7.0793 -7.0793 -6.8951 -6.8951 -6.8950 -6.8950 -6.8312 -6.8312 -6.4333 -6.4333 -6.4333 -6.4333 -6.1857 -6.1857 -5.8185 -5.8185 -5.6704 -5.6704 -5.6702 -5.6702 -5.5949 -5.5949 -5.5208 -5.5208 -5.5185 -5.5185 -5.3832 -5.3832 -5.2082 -5.2082 -5.1942 -5.1942 -2.2504 -2.2504 -2.2290 -2.2290 -2.2231 -2.2231 -1.9688 -1.9688 -1.9556 -1.9556 -1.9478 -1.9478 -1.8716 -1.8716 -1.8694 -1.8694 6.4810 6.4810 6.4882 6.4882 6.5517 6.5517 6.8121 6.8121 6.8141 6.8141 7.1413 7.1413 k = 0.2700 0.2700 0.2700 ( 6088 PWs) bands (ev): -22.4420 -22.4420 -22.3318 -22.3318 -22.3310 -22.3310 -22.3310 -22.3310 -21.3993 -21.3993 -21.3993 -21.3993 -21.3948 -21.3948 -21.3731 -21.3731 -7.0784 -7.0784 -6.8923 -6.8923 -6.8922 -6.8922 -6.8353 -6.8353 -6.4401 -6.4401 -6.4401 -6.4401 -6.2038 -6.2038 -5.8504 -5.8504 -5.6534 -5.6534 -5.6530 -5.6530 -5.5833 -5.5833 -5.5106 -5.5106 -5.5084 -5.5084 -5.3747 -5.3747 -5.2152 -5.2152 -5.2013 -5.2013 -2.2360 -2.2360 -2.2148 -2.2148 -2.2091 -2.2091 -1.9735 -1.9735 -1.9604 -1.9604 -1.9525 -1.9525 -1.8827 -1.8827 -1.8803 -1.8803 6.4757 6.4757 6.4828 6.4828 6.6298 6.6298 6.7990 6.7990 6.8014 6.8014 7.1787 7.1787 k = 0.2800 0.2800 0.2800 ( 6082 PWs) bands (ev): -22.4362 -22.4362 -22.3336 -22.3336 -22.3329 -22.3329 -22.3328 -22.3328 -21.3989 -21.3989 -21.3989 -21.3989 -21.3944 -21.3944 -21.3746 -21.3746 -7.0762 -7.0762 -6.8890 -6.8890 -6.8888 -6.8888 -6.8388 -6.8388 -6.4477 -6.4477 -6.4477 -6.4477 -6.2236 -6.2236 -5.8855 -5.8855 -5.6358 -5.6358 -5.6352 -5.6352 -5.5677 -5.5677 -5.5001 -5.5001 -5.4981 -5.4981 -5.3662 -5.3662 -5.2222 -5.2222 -5.2083 -5.2083 -2.2218 -2.2218 -2.2011 -2.2011 -2.1956 -2.1956 -1.9784 -1.9784 -1.9654 -1.9654 -1.9575 -1.9575 -1.8937 -1.8937 -1.8912 -1.8912 6.4716 6.4716 6.4785 6.4785 6.7079 6.7079 6.7850 6.7850 6.7877 6.7877 7.2178 7.2178 k = 0.2900 0.2900 0.2900 ( 6082 PWs) bands (ev): -22.4304 -22.4304 -22.3354 -22.3354 -22.3347 -22.3347 -22.3347 -22.3347 -21.3985 -21.3985 -21.3985 -21.3985 -21.3941 -21.3941 -21.3761 -21.3761 -7.0727 -7.0727 -6.8852 -6.8852 -6.8850 -6.8850 -6.8417 -6.8417 -6.4561 -6.4561 -6.4561 -6.4561 -6.2447 -6.2447 -5.9226 -5.9226 -5.6180 -5.6180 -5.6172 -5.6172 -5.5496 -5.5496 -5.4896 -5.4896 -5.4878 -5.4878 -5.3580 -5.3580 -5.2291 -5.2291 -5.2152 -5.2152 -2.2080 -2.2080 -2.1878 -2.1878 -2.1826 -2.1826 -1.9835 -1.9835 -1.9705 -1.9705 -1.9626 -1.9626 -1.9047 -1.9047 -1.9021 -1.9021 6.4686 6.4686 6.4753 6.4753 6.7696 6.7696 6.7733 6.7733 6.7858 6.7858 7.2588 7.2588 k = 0.3000 0.3000 0.3000 ( 6100 PWs) bands (ev): -22.4247 -22.4247 -22.3372 -22.3372 -22.3365 -22.3365 -22.3365 -22.3365 -21.3981 -21.3981 -21.3981 -21.3981 -21.3939 -21.3939 -21.3776 -21.3776 -7.0681 -7.0681 -6.8809 -6.8809 -6.8808 -6.8808 -6.8440 -6.8440 -6.4652 -6.4652 -6.4651 -6.4651 -6.2667 -6.2667 -5.9611 -5.9611 -5.5999 -5.5999 -5.5989 -5.5989 -5.5301 -5.5301 -5.4789 -5.4789 -5.4774 -5.4774 -5.3499 -5.3499 -5.2358 -5.2358 -5.2220 -5.2220 -2.1947 -2.1947 -2.1750 -2.1750 -2.1702 -2.1702 -1.9887 -1.9887 -1.9758 -1.9758 -1.9679 -1.9679 -1.9156 -1.9156 -1.9128 -1.9128 6.4668 6.4668 6.4734 6.4734 6.7546 6.7546 6.7583 6.7583 6.8613 6.8613 7.3020 7.3020 k = 0.3100 0.3100 0.3100 ( 6082 PWs) bands (ev): -22.4191 -22.4191 -22.3389 -22.3389 -22.3383 -22.3383 -22.3382 -22.3382 -21.3978 -21.3978 -21.3978 -21.3978 -21.3937 -21.3937 -21.3790 -21.3790 -7.0621 -7.0621 -6.8763 -6.8763 -6.8761 -6.8761 -6.8456 -6.8456 -6.4748 -6.4748 -6.4746 -6.4746 -6.2895 -6.2895 -6.0003 -6.0003 -5.5818 -5.5818 -5.5806 -5.5806 -5.5098 -5.5098 -5.4683 -5.4683 -5.4671 -5.4671 -5.3421 -5.3421 -5.2423 -5.2423 -5.2285 -5.2285 -2.1819 -2.1819 -2.1628 -2.1628 -2.1584 -2.1584 -1.9939 -1.9939 -1.9811 -1.9811 -1.9733 -1.9733 -1.9263 -1.9263 -1.9234 -1.9234 6.4663 6.4663 6.4727 6.4727 6.7390 6.7390 6.7430 6.7430 6.9348 6.9348 7.3472 7.3472 k = 0.3200 0.3200 0.3200 ( 6076 PWs) bands (ev): -22.4135 -22.4135 -22.3406 -22.3406 -22.3400 -22.3400 -22.3399 -22.3399 -21.3975 -21.3975 -21.3974 -21.3974 -21.3936 -21.3936 -21.3804 -21.3804 -7.0549 -7.0549 -6.8712 -6.8712 -6.8711 -6.8711 -6.8466 -6.8466 -6.4848 -6.4848 -6.4846 -6.4846 -6.3126 -6.3126 -6.0399 -6.0399 -5.5638 -5.5638 -5.5623 -5.5623 -5.4893 -5.4893 -5.4577 -5.4577 -5.4570 -5.4570 -5.3345 -5.3345 -5.2484 -5.2484 -5.2348 -5.2348 -2.1695 -2.1695 -2.1511 -2.1511 -2.1472 -2.1472 -1.9993 -1.9993 -1.9866 -1.9866 -1.9788 -1.9788 -1.9367 -1.9367 -1.9337 -1.9337 6.4669 6.4669 6.4732 6.4732 6.7232 6.7232 6.7275 6.7275 7.0050 7.0050 7.3702 7.3702 k = 0.3300 0.3300 0.3300 ( 6073 PWs) bands (ev): -22.4081 -22.4081 -22.3422 -22.3422 -22.3416 -22.3416 -22.3416 -22.3416 -21.3971 -21.3971 -21.3971 -21.3971 -21.3935 -21.3935 -21.3818 -21.3818 -7.0464 -7.0464 -6.8658 -6.8658 -6.8656 -6.8656 -6.8469 -6.8469 -6.4951 -6.4951 -6.4949 -6.4949 -6.3361 -6.3361 -6.0798 -6.0798 -5.5460 -5.5460 -5.5444 -5.5444 -5.4691 -5.4691 -5.4471 -5.4471 -5.4471 -5.4471 -5.3272 -5.3272 -5.2543 -5.2543 -5.2407 -5.2407 -2.1578 -2.1578 -2.1400 -2.1400 -2.1367 -2.1367 -2.0047 -2.0047 -1.9921 -1.9921 -1.9843 -1.9843 -1.9469 -1.9469 -1.9439 -1.9439 6.4687 6.4687 6.4749 6.4749 6.7074 6.7074 6.7120 6.7120 7.0709 7.0709 7.3828 7.3852 k = 0.3400 0.3400 0.3400 ( 6061 PWs) bands (ev): -22.4029 -22.4029 -22.3437 -22.3437 -22.3432 -22.3432 -22.3432 -22.3432 -21.3968 -21.3968 -21.3968 -21.3968 -21.3934 -21.3934 -21.3831 -21.3831 -7.0367 -7.0367 -6.8601 -6.8601 -6.8599 -6.8599 -6.8464 -6.8464 -6.5056 -6.5056 -6.5054 -6.5054 -6.3596 -6.3596 -6.1197 -6.1197 -5.5287 -5.5287 -5.5268 -5.5268 -5.4502 -5.4502 -5.4375 -5.4375 -5.4358 -5.4358 -5.3202 -5.3202 -5.2596 -5.2596 -5.2463 -5.2463 -2.1467 -2.1467 -2.1295 -2.1295 -2.1269 -2.1269 -2.0101 -2.0101 -1.9976 -1.9976 -1.9899 -1.9899 -1.9568 -1.9568 -1.9537 -1.9537 6.4715 6.4715 6.4777 6.4777 6.6919 6.6919 6.6967 6.6967 7.1318 7.1318 7.3954 7.3962 k = 0.3500 0.3500 0.3500 ( 6070 PWs) bands (ev): -22.3978 -22.3978 -22.3452 -22.3452 -22.3447 -22.3447 -22.3447 -22.3447 -21.3966 -21.3966 -21.3966 -21.3966 -21.3934 -21.3934 -21.3844 -21.3844 -7.0257 -7.0257 -6.8541 -6.8541 -6.8539 -6.8539 -6.8453 -6.8453 -6.5163 -6.5163 -6.5161 -6.5161 -6.3831 -6.3831 -6.1595 -6.1595 -5.5119 -5.5119 -5.5097 -5.5097 -5.4348 -5.4348 -5.4284 -5.4284 -5.4220 -5.4220 -5.3135 -5.3135 -5.2645 -5.2645 -5.2513 -5.2513 -2.1363 -2.1363 -2.1195 -2.1195 -2.1177 -2.1177 -2.0154 -2.0154 -2.0031 -2.0031 -1.9954 -1.9954 -1.9663 -1.9663 -1.9631 -1.9631 6.4754 6.4754 6.4814 6.4814 6.6768 6.6768 6.6818 6.6818 7.1874 7.1874 7.4086 7.4129 k = 0.3600 0.3600 0.3600 ( 6076 PWs) bands (ev): -22.3929 -22.3929 -22.3466 -22.3466 -22.3462 -22.3462 -22.3462 -22.3462 -21.3963 -21.3963 -21.3963 -21.3963 -21.3935 -21.3935 -21.3856 -21.3856 -7.0135 -7.0135 -6.8478 -6.8478 -6.8476 -6.8476 -6.8434 -6.8434 -6.5271 -6.5271 -6.5268 -6.5268 -6.4064 -6.4064 -6.1991 -6.1991 -5.4958 -5.4958 -5.4934 -5.4934 -5.4237 -5.4237 -5.4197 -5.4197 -5.4051 -5.4051 -5.3072 -5.3072 -5.2687 -5.2687 -5.2558 -5.2558 -2.1266 -2.1266 -2.1101 -2.1101 -2.1092 -2.1092 -2.0207 -2.0207 -2.0086 -2.0086 -2.0009 -2.0009 -1.9754 -1.9754 -1.9722 -1.9722 6.4801 6.4801 6.4861 6.4861 6.6622 6.6622 6.6674 6.6674 7.2377 7.2377 7.4217 7.4220 k = 0.3700 0.3700 0.3700 ( 6070 PWs) bands (ev): -22.3883 -22.3883 -22.3479 -22.3479 -22.3475 -22.3475 -22.3475 -22.3475 -21.3961 -21.3961 -21.3961 -21.3961 -21.3935 -21.3935 -21.3868 -21.3868 -7.0001 -7.0001 -6.8414 -6.8414 -6.8412 -6.8412 -6.8407 -6.8407 -6.5378 -6.5378 -6.5375 -6.5375 -6.4294 -6.4294 -6.2382 -6.2382 -5.4804 -5.4804 -5.4778 -5.4778 -5.4148 -5.4148 -5.4116 -5.4116 -5.3875 -5.3875 -5.3013 -5.3013 -5.2722 -5.2722 -5.2597 -5.2597 -2.1177 -2.1177 -2.1015 -2.1015 -2.1012 -2.1012 -2.0258 -2.0258 -2.0139 -2.0139 -2.0063 -2.0063 -1.9839 -1.9839 -1.9808 -1.9808 6.4857 6.4857 6.4916 6.4916 6.6482 6.6482 6.6535 6.6535 7.2830 7.2830 7.4353 7.4355 k = 0.3800 0.3800 0.3800 ( 6058 PWs) bands (ev): -22.3839 -22.3839 -22.3492 -22.3492 -22.3488 -22.3488 -22.3488 -22.3488 -21.3958 -21.3958 -21.3958 -21.3958 -21.3936 -21.3936 -21.3879 -21.3879 -6.9855 -6.9855 -6.8374 -6.8374 -6.8347 -6.8347 -6.8345 -6.8345 -6.5484 -6.5484 -6.5481 -6.5481 -6.4519 -6.4519 -6.2770 -6.2770 -5.4660 -5.4660 -5.4631 -5.4631 -5.4072 -5.4072 -5.4043 -5.4043 -5.3704 -5.3704 -5.2958 -5.2958 -5.2748 -5.2748 -5.2628 -5.2628 -2.1094 -2.1094 -2.0944 -2.0944 -2.0930 -2.0930 -2.0308 -2.0308 -2.0190 -2.0190 -2.0116 -2.0116 -1.9918 -1.9918 -1.9890 -1.9890 6.4919 6.4919 6.4977 6.4977 6.6349 6.6349 6.6404 6.6404 7.3238 7.3238 7.4498 7.4514 k = 0.3900 0.3900 0.3900 ( 6067 PWs) bands (ev): -22.3797 -22.3797 -22.3503 -22.3503 -22.3500 -22.3500 -22.3500 -22.3500 -21.3956 -21.3956 -21.3956 -21.3956 -21.3936 -21.3936 -21.3889 -21.3889 -6.9697 -6.9697 -6.8334 -6.8334 -6.8280 -6.8280 -6.8278 -6.8278 -6.5588 -6.5588 -6.5585 -6.5585 -6.4739 -6.4739 -6.3152 -6.3152 -5.4525 -5.4525 -5.4494 -5.4494 -5.4006 -5.4006 -5.3977 -5.3977 -5.3542 -5.3542 -5.2908 -5.2908 -5.2764 -5.2764 -5.2652 -5.2652 -2.1020 -2.1020 -2.0880 -2.0880 -2.0853 -2.0853 -2.0356 -2.0356 -2.0240 -2.0240 -2.0168 -2.0168 -1.9991 -1.9991 -1.9965 -1.9965 6.4985 6.4985 6.5043 6.5043 6.6224 6.6224 6.6281 6.6281 7.3606 7.3606 7.4628 7.4632 k = 0.4000 0.4000 0.4000 ( 6067 PWs) bands (ev): -22.3759 -22.3759 -22.3514 -22.3514 -22.3511 -22.3511 -22.3511 -22.3511 -21.3954 -21.3954 -21.3954 -21.3954 -21.3937 -21.3937 -21.3898 -21.3898 -6.9528 -6.9528 -6.8286 -6.8286 -6.8212 -6.8212 -6.8210 -6.8210 -6.5690 -6.5690 -6.5687 -6.5687 -6.4953 -6.4953 -6.3527 -6.3527 -5.4401 -5.4401 -5.4369 -5.4369 -5.3952 -5.3952 -5.3920 -5.3920 -5.3391 -5.3391 -5.2864 -5.2864 -5.2769 -5.2769 -5.2667 -5.2667 -2.0953 -2.0953 -2.0824 -2.0824 -2.0783 -2.0783 -2.0402 -2.0402 -2.0286 -2.0286 -2.0217 -2.0217 -2.0058 -2.0058 -2.0035 -2.0035 6.5055 6.5055 6.5112 6.5112 6.6107 6.6107 6.6166 6.6166 7.3938 7.3938 7.4754 7.4787 k = 0.4100 0.4100 0.4100 ( 6070 PWs) bands (ev): -22.3724 -22.3724 -22.3524 -22.3524 -22.3522 -22.3522 -22.3521 -22.3521 -21.3953 -21.3953 -21.3953 -21.3953 -21.3939 -21.3939 -21.3907 -21.3907 -6.9349 -6.9349 -6.8232 -6.8232 -6.8144 -6.8144 -6.8143 -6.8143 -6.5789 -6.5789 -6.5786 -6.5786 -6.5160 -6.5160 -6.3895 -6.3895 -5.4289 -5.4289 -5.4255 -5.4255 -5.3908 -5.3908 -5.3872 -5.3872 -5.3252 -5.3252 -5.2828 -5.2828 -5.2760 -5.2760 -5.2674 -5.2674 -2.0894 -2.0894 -2.0775 -2.0775 -2.0721 -2.0721 -2.0444 -2.0444 -2.0329 -2.0329 -2.0264 -2.0264 -2.0117 -2.0117 -2.0099 -2.0099 6.5126 6.5126 6.5182 6.5182 6.6000 6.6000 6.6060 6.6060 7.4238 7.4238 7.4880 7.4903 k = 0.4200 0.4200 0.4200 ( 6058 PWs) bands (ev): -22.3691 -22.3691 -22.3532 -22.3532 -22.3531 -22.3531 -22.3531 -22.3531 -21.3951 -21.3951 -21.3951 -21.3951 -21.3940 -21.3940 -21.3915 -21.3915 -6.9159 -6.9159 -6.8172 -6.8172 -6.8078 -6.8078 -6.8076 -6.8076 -6.5883 -6.5883 -6.5880 -6.5880 -6.5358 -6.5358 -6.4255 -6.4255 -5.4188 -5.4188 -5.4153 -5.4153 -5.3874 -5.3874 -5.3832 -5.3832 -5.3127 -5.3127 -5.2800 -5.2800 -5.2738 -5.2738 -5.2674 -5.2674 -2.0841 -2.0841 -2.0734 -2.0734 -2.0668 -2.0668 -2.0482 -2.0482 -2.0367 -2.0367 -2.0305 -2.0305 -2.0168 -2.0168 -2.0156 -2.0156 6.5196 6.5196 6.5251 6.5251 6.5903 6.5903 6.5965 6.5965 7.4508 7.4508 7.5002 7.5005 k = 0.4300 0.4300 0.4300 ( 6052 PWs) bands (ev): -22.3663 -22.3663 -22.3540 -22.3540 -22.3539 -22.3539 -22.3539 -22.3539 -21.3950 -21.3950 -21.3950 -21.3950 -21.3941 -21.3941 -21.3922 -21.3922 -6.8960 -6.8960 -6.8108 -6.8108 -6.8013 -6.8013 -6.8011 -6.8011 -6.5972 -6.5972 -6.5969 -6.5969 -6.5546 -6.5546 -6.4604 -6.4604 -5.4099 -5.4099 -5.4064 -5.4064 -5.3849 -5.3849 -5.3800 -5.3800 -5.3016 -5.3016 -5.2775 -5.2775 -5.2711 -5.2711 -5.2667 -5.2667 -2.0796 -2.0796 -2.0702 -2.0702 -2.0627 -2.0627 -2.0514 -2.0514 -2.0399 -2.0399 -2.0340 -2.0340 -2.0213 -2.0213 -2.0205 -2.0205 6.5264 6.5264 6.5318 6.5318 6.5817 6.5817 6.5880 6.5880 7.4747 7.4747 7.5117 7.5131 k = 0.4400 0.4400 0.4400 ( 6055 PWs) bands (ev): -22.3638 -22.3638 -22.3547 -22.3547 -22.3546 -22.3546 -22.3546 -22.3546 -21.3949 -21.3949 -21.3949 -21.3949 -21.3942 -21.3942 -21.3928 -21.3928 -6.8754 -6.8754 -6.8039 -6.8039 -6.7952 -6.7952 -6.7950 -6.7950 -6.6055 -6.6055 -6.6052 -6.6052 -6.5721 -6.5721 -6.4942 -6.4942 -5.4022 -5.4022 -5.3989 -5.3989 -5.3833 -5.3833 -5.3775 -5.3775 -5.2922 -5.2922 -5.2749 -5.2749 -5.2682 -5.2682 -5.2656 -5.2656 -2.0759 -2.0759 -2.0679 -2.0679 -2.0606 -2.0606 -2.0535 -2.0535 -2.0425 -2.0425 -2.0365 -2.0365 -2.0251 -2.0251 -2.0248 -2.0248 6.5327 6.5327 6.5379 6.5379 6.5741 6.5741 6.5807 6.5807 7.4957 7.4958 7.5222 7.5227 k = 0.4500 0.4500 0.4500 ( 6055 PWs) bands (ev): -22.3616 -22.3616 -22.3553 -22.3553 -22.3552 -22.3552 -22.3552 -22.3552 -21.3948 -21.3948 -21.3948 -21.3948 -21.3943 -21.3943 -21.3933 -21.3933 -6.8542 -6.8542 -6.7970 -6.7970 -6.7895 -6.7895 -6.7893 -6.7893 -6.6130 -6.6130 -6.6126 -6.6126 -6.5882 -6.5882 -6.5265 -6.5265 -5.3957 -5.3957 -5.3927 -5.3927 -5.3822 -5.3822 -5.3755 -5.3755 -5.2846 -5.2846 -5.2718 -5.2718 -5.2656 -5.2656 -5.2642 -5.2642 -2.0728 -2.0728 -2.0666 -2.0666 -2.0610 -2.0610 -2.0540 -2.0540 -2.0443 -2.0443 -2.0378 -2.0378 -2.0283 -2.0283 -2.0283 -2.0283 6.5384 6.5384 6.5433 6.5433 6.5676 6.5676 6.5746 6.5746 7.5134 7.5135 7.5318 7.5330 k = 0.4600 0.4600 0.4600 ( 6056 PWs) bands (ev): -22.3598 -22.3598 -22.3557 -22.3557 -22.3557 -22.3557 -22.3557 -22.3557 -21.3947 -21.3947 -21.3947 -21.3947 -21.3944 -21.3944 -21.3938 -21.3938 -6.8329 -6.8329 -6.7902 -6.7902 -6.7844 -6.7844 -6.7842 -6.7842 -6.6195 -6.6195 -6.6192 -6.6192 -6.6026 -6.6026 -6.5570 -6.5570 -5.3904 -5.3904 -5.3880 -5.3880 -5.3816 -5.3816 -5.3738 -5.3738 -5.2791 -5.2791 -5.2683 -5.2683 -5.2634 -5.2634 -5.2627 -5.2627 -2.0703 -2.0703 -2.0660 -2.0660 -2.0627 -2.0627 -2.0541 -2.0541 -2.0454 -2.0454 -2.0378 -2.0378 -2.0311 -2.0311 -2.0309 -2.0309 6.5434 6.5434 6.5476 6.5476 6.5623 6.5623 6.5699 6.5699 7.5277 7.5278 7.5406 7.5410 k = 0.4700 0.4700 0.4700 ( 6050 PWs) bands (ev): -22.3584 -22.3584 -22.3561 -22.3561 -22.3561 -22.3561 -22.3561 -22.3561 -21.3946 -21.3946 -21.3946 -21.3946 -21.3945 -21.3945 -21.3941 -21.3941 -6.8123 -6.8123 -6.7839 -6.7839 -6.7802 -6.7802 -6.7799 -6.7799 -6.6249 -6.6249 -6.6245 -6.6245 -6.6147 -6.6147 -6.5848 -6.5848 -5.3863 -5.3863 -5.3846 -5.3846 -5.3812 -5.3812 -5.3724 -5.3724 -5.2755 -5.2755 -5.2648 -5.2648 -5.2616 -5.2616 -5.2613 -5.2613 -2.0686 -2.0686 -2.0660 -2.0660 -2.0643 -2.0643 -2.0545 -2.0545 -2.0460 -2.0460 -2.0371 -2.0371 -2.0331 -2.0331 -2.0329 -2.0329 6.5474 6.5474 6.5507 6.5507 6.5581 6.5581 6.5667 6.5667 7.5382 7.5383 7.5480 7.5484 k = 0.4800 0.4800 0.4800 ( 6038 PWs) bands (ev): -22.3574 -22.3574 -22.3564 -22.3564 -22.3564 -22.3564 -22.3564 -22.3564 -21.3946 -21.3946 -21.3946 -21.3946 -21.3945 -21.3945 -21.3944 -21.3944 -6.7936 -6.7936 -6.7788 -6.7788 -6.7769 -6.7769 -6.7767 -6.7767 -6.6290 -6.6290 -6.6286 -6.6286 -6.6241 -6.6241 -6.6086 -6.6086 -5.3833 -5.3833 -5.3825 -5.3825 -5.3811 -5.3811 -5.3711 -5.3711 -5.2732 -5.2732 -5.2618 -5.2618 -5.2603 -5.2603 -5.2602 -5.2602 -2.0675 -2.0675 -2.0663 -2.0663 -2.0656 -2.0656 -2.0549 -2.0549 -2.0463 -2.0463 -2.0363 -2.0363 -2.0344 -2.0344 -2.0343 -2.0343 6.5503 6.5503 6.5523 6.5523 6.5551 6.5551 6.5651 6.5651 7.5446 7.5446 7.5546 7.5558 k = 0.4900 0.4900 0.4900 ( 6008 PWs) bands (ev): -22.3568 -22.3568 -22.3565 -22.3565 -22.3565 -22.3565 -22.3565 -22.3565 -21.3946 -21.3946 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -6.7795 -6.7795 -6.7754 -6.7754 -6.7748 -6.7748 -6.7746 -6.7746 -6.6315 -6.6315 -6.6312 -6.6312 -6.6300 -6.6300 -6.6257 -6.6257 -5.3816 -5.3816 -5.3813 -5.3813 -5.3810 -5.3810 -5.3702 -5.3702 -5.2720 -5.2720 -5.2599 -5.2599 -5.2595 -5.2595 -5.2594 -5.2594 -2.0668 -2.0668 -2.0665 -2.0665 -2.0664 -2.0664 -2.0552 -2.0552 -2.0464 -2.0464 -2.0356 -2.0356 -2.0352 -2.0352 -2.0351 -2.0351 6.5522 6.5522 6.5527 6.5527 6.5534 6.5534 6.5647 6.5647 7.5479 7.5482 7.5588 7.5592 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7745 -6.7745 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6315 -6.6315 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3699 -5.3699 -5.2716 -5.2716 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0553 -2.0553 -2.0465 -2.0465 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 6.5528 6.5528 6.5528 6.5528 6.5528 6.5528 6.5647 6.5647 7.5489 7.5489 7.5602 7.5602 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7745 -6.7745 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6315 -6.6315 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3699 -5.3699 -5.2716 -5.2716 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0553 -2.0553 -2.0465 -2.0465 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 6.5528 6.5528 6.5528 6.5528 6.5528 6.5528 6.5647 6.5647 7.5489 7.5489 7.5602 7.5602 k = 0.4878 0.5000 0.4878 ( 6008 PWs) bands (ev): -22.3567 -22.3567 -22.3567 -22.3567 -22.3565 -22.3565 -22.3565 -22.3565 -21.3946 -21.3946 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -6.7780 -6.7780 -6.7777 -6.7777 -6.7745 -6.7745 -6.7742 -6.7742 -6.6318 -6.6318 -6.6314 -6.6314 -6.6278 -6.6278 -6.6273 -6.6273 -5.3816 -5.3816 -5.3813 -5.3813 -5.3811 -5.3811 -5.3702 -5.3702 -5.2720 -5.2720 -5.2598 -5.2598 -5.2596 -5.2596 -5.2594 -5.2594 -2.0668 -2.0668 -2.0666 -2.0666 -2.0664 -2.0664 -2.0552 -2.0552 -2.0464 -2.0464 -2.0355 -2.0355 -2.0353 -2.0353 -2.0351 -2.0351 6.5522 6.5522 6.5527 6.5527 6.5533 6.5533 6.5647 6.5647 7.5480 7.5491 7.5589 7.5595 k = 0.4756 0.5000 0.4756 ( 6036 PWs) bands (ev): -22.3570 -22.3570 -22.3570 -22.3570 -22.3563 -22.3563 -22.3562 -22.3562 -21.3946 -21.3946 -21.3946 -21.3946 -21.3944 -21.3944 -21.3944 -21.3944 -6.7880 -6.7880 -6.7877 -6.7877 -6.7753 -6.7753 -6.7750 -6.7750 -6.6302 -6.6302 -6.6298 -6.6298 -6.6154 -6.6154 -6.6149 -6.6149 -5.3832 -5.3832 -5.3823 -5.3823 -5.3813 -5.3813 -5.3711 -5.3711 -5.2732 -5.2732 -5.2616 -5.2616 -5.2607 -5.2607 -5.2600 -5.2600 -2.0672 -2.0672 -2.0664 -2.0664 -2.0656 -2.0656 -2.0549 -2.0549 -2.0463 -2.0463 -2.0360 -2.0360 -2.0350 -2.0350 -2.0341 -2.0341 6.5507 6.5507 6.5524 6.5524 6.5548 6.5548 6.5650 6.5650 7.5447 7.5450 7.5548 7.5558 k = 0.4634 0.5000 0.4634 ( 6060 PWs) bands (ev): -22.3575 -22.3575 -22.3575 -22.3575 -22.3558 -22.3558 -22.3558 -22.3558 -21.3947 -21.3947 -21.3946 -21.3946 -21.3943 -21.3943 -21.3943 -21.3943 -6.8019 -6.8019 -6.8017 -6.8017 -6.7766 -6.7766 -6.7763 -6.7763 -6.6275 -6.6275 -6.6271 -6.6271 -6.5974 -6.5974 -6.5969 -6.5969 -5.3861 -5.3861 -5.3842 -5.3842 -5.3816 -5.3816 -5.3724 -5.3724 -5.2753 -5.2753 -5.2644 -5.2644 -5.2625 -5.2625 -5.2609 -5.2609 -2.0680 -2.0680 -2.0664 -2.0664 -2.0644 -2.0644 -2.0544 -2.0544 -2.0460 -2.0460 -2.0366 -2.0366 -2.0344 -2.0344 -2.0323 -2.0323 6.5481 6.5481 6.5512 6.5512 6.5573 6.5573 6.5662 6.5662 7.5389 7.5390 7.5475 7.5483 k = 0.4512 0.5000 0.4512 ( 6060 PWs) bands (ev): -22.3583 -22.3583 -22.3583 -22.3583 -22.3552 -22.3552 -22.3552 -22.3552 -21.3947 -21.3947 -21.3947 -21.3947 -21.3941 -21.3941 -21.3941 -21.3941 -6.8178 -6.8178 -6.8176 -6.8176 -6.7784 -6.7784 -6.7782 -6.7782 -6.6238 -6.6238 -6.6233 -6.6233 -6.5759 -6.5759 -6.5753 -6.5753 -5.3902 -5.3902 -5.3873 -5.3873 -5.3821 -5.3821 -5.3739 -5.3739 -5.2782 -5.2782 -5.2683 -5.2683 -5.2646 -5.2646 -5.2622 -5.2622 -2.0692 -2.0692 -2.0667 -2.0667 -2.0628 -2.0628 -2.0538 -2.0538 -2.0455 -2.0455 -2.0374 -2.0374 -2.0331 -2.0331 -2.0299 -2.0299 6.5446 6.5446 6.5487 6.5487 6.5609 6.5609 6.5687 6.5687 7.5301 7.5305 7.5377 7.5379 k = 0.4390 0.5000 0.4390 ( 6050 PWs) bands (ev): -22.3592 -22.3592 -22.3592 -22.3592 -22.3545 -22.3545 -22.3545 -22.3545 -21.3948 -21.3948 -21.3948 -21.3948 -21.3938 -21.3938 -21.3938 -21.3938 -6.8344 -6.8344 -6.8344 -6.8344 -6.7807 -6.7807 -6.7805 -6.7805 -6.6190 -6.6190 -6.6186 -6.6186 -6.5519 -6.5519 -6.5513 -6.5513 -5.3956 -5.3956 -5.3919 -5.3919 -5.3828 -5.3828 -5.3756 -5.3756 -5.2821 -5.2821 -5.2730 -5.2730 -5.2671 -5.2671 -5.2638 -5.2638 -2.0707 -2.0707 -2.0676 -2.0676 -2.0608 -2.0608 -2.0531 -2.0531 -2.0447 -2.0447 -2.0384 -2.0384 -2.0311 -2.0311 -2.0268 -2.0268 6.5404 6.5404 6.5450 6.5450 6.5654 6.5654 6.5726 6.5726 7.5186 7.5186 7.5255 7.5256 k = 0.4268 0.5000 0.4268 ( 6042 PWs) bands (ev): -22.3603 -22.3603 -22.3603 -22.3603 -22.3535 -22.3535 -22.3535 -22.3535 -21.3949 -21.3949 -21.3949 -21.3949 -21.3935 -21.3935 -21.3935 -21.3935 -6.8513 -6.8513 -6.8513 -6.8513 -6.7835 -6.7835 -6.7832 -6.7832 -6.6132 -6.6132 -6.6127 -6.6127 -6.5263 -6.5263 -6.5256 -6.5256 -5.4024 -5.4024 -5.3981 -5.3981 -5.3837 -5.3837 -5.3773 -5.3773 -5.2866 -5.2866 -5.2784 -5.2784 -5.2697 -5.2697 -5.2658 -5.2658 -2.0728 -2.0728 -2.0692 -2.0692 -2.0585 -2.0585 -2.0525 -2.0525 -2.0434 -2.0434 -2.0393 -2.0393 -2.0282 -2.0282 -2.0229 -2.0229 6.5354 6.5354 6.5404 6.5404 6.5710 6.5710 6.5777 6.5777 7.5046 7.5046 7.5111 7.5113 k = 0.4146 0.5000 0.4146 ( 6046 PWs) bands (ev): -22.3616 -22.3616 -22.3616 -22.3616 -22.3525 -22.3525 -22.3524 -22.3524 -21.3950 -21.3950 -21.3950 -21.3950 -21.3931 -21.3931 -21.3931 -21.3931 -6.8679 -6.8679 -6.8678 -6.8678 -6.7867 -6.7867 -6.7864 -6.7864 -6.6065 -6.6065 -6.6059 -6.6059 -6.4995 -6.4995 -6.4987 -6.4987 -5.4107 -5.4107 -5.4060 -5.4060 -5.3849 -5.3849 -5.3791 -5.3791 -5.2916 -5.2916 -5.2842 -5.2842 -5.2725 -5.2725 -5.2680 -5.2680 -2.0754 -2.0754 -2.0716 -2.0716 -2.0562 -2.0562 -2.0523 -2.0523 -2.0415 -2.0415 -2.0401 -2.0401 -2.0243 -2.0243 -2.0183 -2.0183 6.5298 6.5298 6.5351 6.5351 6.5774 6.5774 6.5839 6.5839 7.4884 7.4885 7.4947 7.4948 k = 0.4024 0.5000 0.4024 ( 6050 PWs) bands (ev): -22.3631 -22.3631 -22.3630 -22.3630 -22.3512 -22.3512 -22.3512 -22.3512 -21.3952 -21.3952 -21.3952 -21.3952 -21.3927 -21.3927 -21.3927 -21.3927 -6.8839 -6.8839 -6.8838 -6.8838 -6.7903 -6.7903 -6.7901 -6.7901 -6.5987 -6.5987 -6.5981 -6.5981 -6.4717 -6.4717 -6.4708 -6.4708 -5.4206 -5.4206 -5.4157 -5.4157 -5.3864 -5.3864 -5.3813 -5.3813 -5.2969 -5.2969 -5.2904 -5.2904 -5.2755 -5.2755 -5.2705 -5.2705 -2.0785 -2.0785 -2.0749 -2.0749 -2.0540 -2.0540 -2.0523 -2.0523 -2.0406 -2.0406 -2.0393 -2.0393 -2.0194 -2.0194 -2.0130 -2.0130 6.5238 6.5238 6.5292 6.5292 6.5847 6.5847 6.5910 6.5910 7.4704 7.4704 7.4764 7.4764 k = 0.3902 0.5000 0.3902 ( 6046 PWs) bands (ev): -22.3647 -22.3647 -22.3647 -22.3647 -22.3498 -22.3498 -22.3498 -22.3498 -21.3953 -21.3953 -21.3953 -21.3953 -21.3922 -21.3922 -21.3922 -21.3922 -6.8993 -6.8993 -6.8991 -6.8991 -6.7944 -6.7944 -6.7941 -6.7941 -6.5900 -6.5900 -6.5894 -6.5894 -6.4432 -6.4432 -6.4422 -6.4422 -5.4321 -5.4321 -5.4272 -5.4272 -5.3883 -5.3883 -5.3838 -5.3838 -5.3022 -5.3022 -5.2966 -5.2966 -5.2785 -5.2785 -5.2732 -5.2732 -2.0822 -2.0822 -2.0788 -2.0788 -2.0525 -2.0525 -2.0522 -2.0522 -2.0404 -2.0404 -2.0367 -2.0367 -2.0136 -2.0136 -2.0070 -2.0070 6.5174 6.5174 6.5230 6.5230 6.5929 6.5929 6.5990 6.5990 7.4506 7.4506 7.4565 7.4565 k = 0.3780 0.5000 0.3780 ( 6048 PWs) bands (ev): -22.3665 -22.3665 -22.3665 -22.3665 -22.3483 -22.3483 -22.3483 -22.3483 -21.3955 -21.3955 -21.3955 -21.3955 -21.3917 -21.3917 -21.3917 -21.3917 -6.9139 -6.9139 -6.9137 -6.9137 -6.7987 -6.7987 -6.7985 -6.7985 -6.5803 -6.5803 -6.5796 -6.5796 -6.4141 -6.4141 -6.4130 -6.4130 -5.4453 -5.4453 -5.4405 -5.4405 -5.3907 -5.3907 -5.3869 -5.3869 -5.3072 -5.3072 -5.3026 -5.3026 -5.2818 -5.2818 -5.2760 -5.2760 -2.0865 -2.0865 -2.0834 -2.0834 -2.0528 -2.0528 -2.0511 -2.0511 -2.0395 -2.0395 -2.0341 -2.0341 -2.0070 -2.0070 -2.0003 -2.0003 6.5109 6.5109 6.5166 6.5166 6.6019 6.6019 6.6078 6.6078 7.4294 7.4294 7.4351 7.4351 k = 0.3659 0.5000 0.3659 ( 6052 PWs) bands (ev): -22.3684 -22.3684 -22.3684 -22.3684 -22.3467 -22.3467 -22.3467 -22.3467 -21.3957 -21.3957 -21.3957 -21.3957 -21.3912 -21.3912 -21.3912 -21.3912 -6.9277 -6.9277 -6.9273 -6.9273 -6.8034 -6.8034 -6.8032 -6.8032 -6.5697 -6.5697 -6.5690 -6.5690 -6.3845 -6.3845 -6.3834 -6.3834 -5.4601 -5.4601 -5.4556 -5.4556 -5.3938 -5.3938 -5.3906 -5.3906 -5.3119 -5.3119 -5.3085 -5.3085 -5.2851 -5.2851 -5.2791 -5.2791 -2.0914 -2.0914 -2.0885 -2.0885 -2.0532 -2.0532 -2.0508 -2.0508 -2.0377 -2.0377 -2.0314 -2.0314 -1.9997 -1.9997 -1.9931 -1.9931 6.5044 6.5044 6.5102 6.5102 6.6116 6.6116 6.6174 6.6174 7.4068 7.4068 7.4123 7.4123 k = 0.3537 0.5000 0.3537 ( 6062 PWs) bands (ev): -22.3705 -22.3705 -22.3705 -22.3705 -22.3449 -22.3449 -22.3449 -22.3449 -21.3959 -21.3959 -21.3959 -21.3959 -21.3906 -21.3906 -21.3906 -21.3906 -6.9405 -6.9405 -6.9401 -6.9401 -6.8085 -6.8085 -6.8082 -6.8082 -6.5583 -6.5583 -6.5575 -6.5575 -6.3547 -6.3547 -6.3535 -6.3535 -5.4764 -5.4764 -5.4722 -5.4722 -5.3975 -5.3975 -5.3950 -5.3950 -5.3162 -5.3162 -5.3139 -5.3139 -5.2885 -5.2885 -5.2822 -5.2822 -2.0967 -2.0967 -2.0942 -2.0942 -2.0537 -2.0537 -2.0511 -2.0511 -2.0353 -2.0353 -2.0287 -2.0287 -1.9917 -1.9917 -1.9853 -1.9853 6.4981 6.4981 6.5038 6.5038 6.6220 6.6220 6.6277 6.6277 7.3831 7.3831 7.3884 7.3884 k = 0.3415 0.5000 0.3415 ( 6064 PWs) bands (ev): -22.3727 -22.3727 -22.3726 -22.3726 -22.3430 -22.3430 -22.3430 -22.3430 -21.3962 -21.3962 -21.3962 -21.3962 -21.3900 -21.3900 -21.3900 -21.3900 -6.9524 -6.9524 -6.9520 -6.9520 -6.8137 -6.8137 -6.8135 -6.8135 -6.5459 -6.5459 -6.5451 -6.5451 -6.3246 -6.3246 -6.3233 -6.3233 -5.4942 -5.4942 -5.4902 -5.4902 -5.4021 -5.4021 -5.4003 -5.4003 -5.3199 -5.3199 -5.3188 -5.3188 -5.2920 -5.2920 -5.2854 -5.2854 -2.1025 -2.1025 -2.1003 -2.1003 -2.0542 -2.0542 -2.0516 -2.0516 -2.0328 -2.0328 -2.0261 -2.0261 -1.9832 -1.9832 -1.9770 -1.9770 6.4920 6.4920 6.4978 6.4978 6.6330 6.6330 6.6386 6.6386 7.3585 7.3585 7.3635 7.3635 k = 0.3293 0.5000 0.3293 ( 6064 PWs) bands (ev): -22.3749 -22.3749 -22.3749 -22.3749 -22.3410 -22.3410 -22.3410 -22.3410 -21.3964 -21.3964 -21.3964 -21.3964 -21.3894 -21.3894 -21.3894 -21.3894 -6.9633 -6.9633 -6.9628 -6.9628 -6.8193 -6.8193 -6.8190 -6.8190 -6.5328 -6.5328 -6.5319 -6.5319 -6.2945 -6.2945 -6.2931 -6.2931 -5.5131 -5.5131 -5.5096 -5.5096 -5.4076 -5.4076 -5.4065 -5.4065 -5.3231 -5.3231 -5.3231 -5.3231 -5.2955 -5.2955 -5.2887 -5.2887 -2.1087 -2.1087 -2.1068 -2.1068 -2.0548 -2.0548 -2.0523 -2.0523 -2.0302 -2.0302 -2.0236 -2.0236 -1.9742 -1.9742 -1.9682 -1.9682 6.4863 6.4863 6.4922 6.4922 6.6445 6.6445 6.6500 6.6500 7.3331 7.3331 7.3379 7.3379 k = 0.3171 0.5000 0.3171 ( 6072 PWs) bands (ev): -22.3773 -22.3773 -22.3773 -22.3773 -22.3390 -22.3390 -22.3390 -22.3390 -21.3967 -21.3967 -21.3967 -21.3967 -21.3887 -21.3887 -21.3887 -21.3887 -6.9733 -6.9733 -6.9727 -6.9727 -6.8251 -6.8251 -6.8247 -6.8247 -6.5188 -6.5188 -6.5179 -6.5179 -6.2644 -6.2644 -6.2629 -6.2629 -5.5331 -5.5331 -5.5300 -5.5300 -5.4142 -5.4142 -5.4136 -5.4136 -5.3268 -5.3268 -5.3257 -5.3257 -5.2990 -5.2990 -5.2920 -5.2920 -2.1152 -2.1152 -2.1135 -2.1135 -2.0555 -2.0555 -2.0532 -2.0532 -2.0277 -2.0277 -2.0213 -2.0213 -1.9647 -1.9647 -1.9590 -1.9590 6.4811 6.4811 6.4870 6.4870 6.6565 6.6565 6.6618 6.6618 7.3070 7.3070 7.3116 7.3116 k = 0.3049 0.5000 0.3049 ( 6072 PWs) bands (ev): -22.3798 -22.3798 -22.3797 -22.3797 -22.3368 -22.3368 -22.3368 -22.3368 -21.3970 -21.3970 -21.3970 -21.3970 -21.3881 -21.3881 -21.3881 -21.3881 -6.9823 -6.9823 -6.9817 -6.9817 -6.8310 -6.8310 -6.8307 -6.8307 -6.5040 -6.5040 -6.5030 -6.5030 -6.2344 -6.2344 -6.2329 -6.2329 -5.5540 -5.5540 -5.5512 -5.5512 -5.4217 -5.4217 -5.4217 -5.4217 -5.3300 -5.3300 -5.3279 -5.3279 -5.3024 -5.3024 -5.2952 -5.2952 -2.1220 -2.1220 -2.1206 -2.1206 -2.0563 -2.0563 -2.0541 -2.0541 -2.0254 -2.0254 -2.0193 -2.0193 -1.9549 -1.9549 -1.9495 -1.9495 6.4766 6.4766 6.4825 6.4825 6.6689 6.6689 6.6740 6.6740 7.2806 7.2806 7.2849 7.2849 k = 0.2927 0.5000 0.2927 ( 6074 PWs) bands (ev): -22.3823 -22.3823 -22.3823 -22.3823 -22.3346 -22.3346 -22.3346 -22.3346 -21.3973 -21.3973 -21.3973 -21.3973 -21.3874 -21.3874 -21.3874 -21.3874 -6.9903 -6.9903 -6.9896 -6.9896 -6.8371 -6.8371 -6.8368 -6.8368 -6.4885 -6.4885 -6.4874 -6.4874 -6.2048 -6.2048 -6.2031 -6.2031 -5.5756 -5.5756 -5.5732 -5.5732 -5.4307 -5.4307 -5.4303 -5.4303 -5.3326 -5.3326 -5.3298 -5.3298 -5.3057 -5.3057 -5.2984 -5.2984 -2.1291 -2.1291 -2.1279 -2.1279 -2.0571 -2.0571 -2.0551 -2.0551 -2.0233 -2.0233 -2.0175 -2.0175 -1.9449 -1.9449 -1.9398 -1.9398 6.4727 6.4727 6.4787 6.4787 6.6815 6.6815 6.6864 6.6864 7.2541 7.2541 7.2580 7.2580 k = 0.2805 0.5000 0.2805 ( 6074 PWs) bands (ev): -22.3848 -22.3848 -22.3848 -22.3848 -22.3323 -22.3323 -22.3323 -22.3323 -21.3976 -21.3976 -21.3976 -21.3976 -21.3868 -21.3868 -21.3868 -21.3868 -6.9973 -6.9973 -6.9966 -6.9966 -6.8433 -6.8433 -6.8430 -6.8430 -6.4723 -6.4723 -6.4711 -6.4711 -6.1757 -6.1757 -6.1739 -6.1739 -5.5976 -5.5976 -5.5955 -5.5955 -5.4406 -5.4406 -5.4398 -5.4398 -5.3348 -5.3348 -5.3313 -5.3313 -5.3089 -5.3089 -5.3015 -5.3015 -2.1364 -2.1364 -2.1354 -2.1354 -2.0580 -2.0580 -2.0562 -2.0562 -2.0215 -2.0215 -2.0159 -2.0159 -1.9347 -1.9347 -1.9298 -1.9298 6.4697 6.4697 6.4757 6.4757 6.6943 6.6943 6.6989 6.6989 7.2276 7.2276 7.2311 7.2311 k = 0.2683 0.5000 0.2683 ( 6078 PWs) bands (ev): -22.3874 -22.3874 -22.3874 -22.3874 -22.3300 -22.3300 -22.3300 -22.3300 -21.3979 -21.3979 -21.3979 -21.3979 -21.3861 -21.3861 -21.3861 -21.3861 -7.0033 -7.0033 -7.0026 -7.0026 -6.8497 -6.8497 -6.8493 -6.8493 -6.4554 -6.4554 -6.4542 -6.4542 -6.1471 -6.1471 -6.1452 -6.1452 -5.6197 -5.6197 -5.6180 -5.6180 -5.4513 -5.4513 -5.4504 -5.4504 -5.3366 -5.3366 -5.3326 -5.3326 -5.3119 -5.3119 -5.3045 -5.3045 -2.1438 -2.1438 -2.1429 -2.1429 -2.0590 -2.0590 -2.0574 -2.0574 -2.0199 -2.0199 -2.0147 -2.0147 -1.9243 -1.9243 -1.9197 -1.9197 6.4675 6.4675 6.4735 6.4735 6.7071 6.7071 6.7114 6.7114 7.2013 7.2014 7.2045 7.2045 k = 0.2561 0.5000 0.2561 ( 6082 PWs) bands (ev): -22.3900 -22.3900 -22.3900 -22.3900 -22.3277 -22.3277 -22.3277 -22.3277 -21.3982 -21.3982 -21.3982 -21.3982 -21.3854 -21.3854 -21.3854 -21.3854 -7.0085 -7.0085 -7.0077 -7.0077 -6.8561 -6.8561 -6.8557 -6.8557 -6.4378 -6.4378 -6.4365 -6.4365 -6.1195 -6.1195 -6.1175 -6.1175 -5.6417 -5.6417 -5.6405 -5.6405 -5.4629 -5.4629 -5.4617 -5.4617 -5.3382 -5.3382 -5.3339 -5.3339 -5.3147 -5.3147 -5.3073 -5.3073 -2.1513 -2.1513 -2.1506 -2.1506 -2.0601 -2.0601 -2.0586 -2.0586 -2.0187 -2.0187 -2.0138 -2.0138 -1.9138 -1.9138 -1.9095 -1.9095 6.4661 6.4661 6.4722 6.4722 6.7198 6.7198 6.7237 6.7237 7.1757 7.1757 7.1785 7.1785 k = 0.2439 0.5000 0.2439 ( 6082 PWs) bands (ev): -22.3926 -22.3926 -22.3926 -22.3926 -22.3253 -22.3253 -22.3253 -22.3253 -21.3986 -21.3986 -21.3986 -21.3986 -21.3848 -21.3848 -21.3848 -21.3848 -7.0127 -7.0127 -7.0118 -7.0118 -6.8625 -6.8625 -6.8621 -6.8621 -6.4197 -6.4197 -6.4183 -6.4183 -6.0930 -6.0930 -6.0908 -6.0908 -5.6633 -5.6633 -5.6625 -5.6625 -5.4752 -5.4752 -5.4740 -5.4740 -5.3396 -5.3396 -5.3352 -5.3352 -5.3171 -5.3171 -5.3099 -5.3099 -2.1589 -2.1589 -2.1583 -2.1583 -2.0613 -2.0613 -2.0600 -2.0600 -2.0178 -2.0178 -2.0132 -2.0132 -1.9034 -1.9034 -1.8993 -1.8993 6.4657 6.4657 6.4718 6.4718 6.7321 6.7321 6.7357 6.7357 7.1510 7.1510 7.1532 7.1532 k = 0.2317 0.5000 0.2317 ( 6082 PWs) bands (ev): -22.3952 -22.3952 -22.3952 -22.3952 -22.3230 -22.3230 -22.3230 -22.3230 -21.3989 -21.3989 -21.3989 -21.3989 -21.3841 -21.3841 -21.3841 -21.3841 -7.0160 -7.0160 -7.0151 -7.0151 -6.8690 -6.8690 -6.8685 -6.8685 -6.4010 -6.4010 -6.3995 -6.3995 -6.0679 -6.0679 -6.0656 -6.0656 -5.6841 -5.6841 -5.6837 -5.6837 -5.4883 -5.4883 -5.4869 -5.4869 -5.3409 -5.3409 -5.3367 -5.3367 -5.3191 -5.3191 -5.3123 -5.3123 -2.1664 -2.1664 -2.1659 -2.1659 -2.0627 -2.0627 -2.0615 -2.0615 -2.0172 -2.0172 -2.0129 -2.0129 -1.8930 -1.8930 -1.8892 -1.8892 6.4663 6.4663 6.4723 6.4723 6.7440 6.7440 6.7470 6.7470 7.1274 7.1274 7.1291 7.1291 k = 0.2195 0.5000 0.2195 ( 6078 PWs) bands (ev): -22.3977 -22.3977 -22.3977 -22.3977 -22.3206 -22.3206 -22.3206 -22.3206 -21.3993 -21.3993 -21.3993 -21.3993 -21.3835 -21.3835 -21.3835 -21.3835 -7.0184 -7.0184 -7.0175 -7.0175 -6.8754 -6.8754 -6.8749 -6.8749 -6.3819 -6.3819 -6.3803 -6.3803 -6.0447 -6.0447 -6.0422 -6.0422 -5.7037 -5.7037 -5.7036 -5.7036 -5.5020 -5.5020 -5.5006 -5.5006 -5.3422 -5.3422 -5.3384 -5.3384 -5.3206 -5.3206 -5.3144 -5.3144 -2.1738 -2.1738 -2.1735 -2.1735 -2.0641 -2.0641 -2.0631 -2.0631 -2.0169 -2.0169 -2.0128 -2.0128 -1.8827 -1.8827 -1.8791 -1.8791 6.4677 6.4677 6.4738 6.4738 6.7551 6.7551 6.7576 6.7576 7.1053 7.1053 7.1064 7.1064 k = 0.2073 0.5000 0.2073 ( 6082 PWs) bands (ev): -22.4002 -22.4002 -22.4002 -22.4002 -22.3183 -22.3183 -22.3183 -22.3183 -21.3996 -21.3996 -21.3996 -21.3996 -21.3829 -21.3829 -21.3829 -21.3829 -7.0201 -7.0201 -7.0191 -7.0191 -6.8818 -6.8818 -6.8813 -6.8813 -6.3623 -6.3623 -6.3606 -6.3606 -6.0239 -6.0239 -6.0213 -6.0213 -5.7216 -5.7216 -5.7213 -5.7213 -5.5164 -5.5164 -5.5150 -5.5150 -5.3436 -5.3436 -5.3405 -5.3405 -5.3216 -5.3216 -5.3162 -5.3162 -2.1812 -2.1812 -2.1810 -2.1810 -2.0657 -2.0657 -2.0648 -2.0648 -2.0168 -2.0168 -2.0131 -2.0131 -1.8725 -1.8725 -1.8692 -1.8692 6.4701 6.4701 6.4762 6.4762 6.7653 6.7653 6.7671 6.7671 7.0850 7.0850 7.0854 7.0854 k = 0.1951 0.5000 0.1951 ( 6114 PWs) bands (ev): -22.4027 -22.4027 -22.4027 -22.4027 -22.3161 -22.3161 -22.3161 -22.3161 -21.4000 -21.4000 -21.4000 -21.4000 -21.3824 -21.3824 -21.3823 -21.3823 -7.0209 -7.0209 -7.0199 -7.0199 -6.8881 -6.8881 -6.8876 -6.8876 -6.3424 -6.3424 -6.3405 -6.3405 -6.0062 -6.0062 -6.0035 -6.0035 -5.7370 -5.7370 -5.7363 -5.7363 -5.5313 -5.5313 -5.5299 -5.5299 -5.3452 -5.3452 -5.3428 -5.3428 -5.3221 -5.3221 -5.3177 -5.3177 -2.1884 -2.1884 -2.1883 -2.1883 -2.0675 -2.0675 -2.0667 -2.0667 -2.0170 -2.0170 -2.0135 -2.0135 -1.8626 -1.8626 -1.8596 -1.8596 6.4733 6.4733 6.4794 6.4794 6.7742 6.7742 6.7752 6.7752 7.0666 7.0666 7.0669 7.0669 k = 0.1829 0.5000 0.1829 ( 6112 PWs) bands (ev): -22.4050 -22.4050 -22.4050 -22.4050 -22.3138 -22.3138 -22.3138 -22.3138 -21.4004 -21.4004 -21.4004 -21.4004 -21.3818 -21.3818 -21.3818 -21.3818 -7.0210 -7.0210 -7.0200 -7.0200 -6.8943 -6.8943 -6.8938 -6.8938 -6.3221 -6.3221 -6.3201 -6.3201 -5.9924 -5.9924 -5.9897 -5.9897 -5.7488 -5.7488 -5.7479 -5.7479 -5.5467 -5.5467 -5.5453 -5.5453 -5.3469 -5.3469 -5.3452 -5.3452 -5.3223 -5.3223 -5.3187 -5.3187 -2.1954 -2.1954 -2.1953 -2.1953 -2.0693 -2.0693 -2.0687 -2.0687 -2.0174 -2.0174 -2.0142 -2.0142 -1.8530 -1.8530 -1.8502 -1.8502 6.4774 6.4774 6.4835 6.4835 6.7816 6.7816 6.7817 6.7817 7.0503 7.0503 7.0515 7.0515 k = 0.1707 0.5000 0.1707 ( 6116 PWs) bands (ev): -22.4073 -22.4073 -22.4073 -22.4073 -22.3117 -22.3117 -22.3117 -22.3117 -21.4007 -21.4007 -21.4007 -21.4007 -21.3813 -21.3813 -21.3813 -21.3813 -7.0205 -7.0205 -7.0194 -7.0194 -6.9004 -6.9004 -6.8998 -6.8998 -6.3017 -6.3017 -6.2995 -6.2995 -5.9832 -5.9832 -5.9806 -5.9806 -5.7564 -5.7564 -5.7552 -5.7552 -5.5625 -5.5625 -5.5612 -5.5612 -5.3488 -5.3488 -5.3479 -5.3479 -5.3222 -5.3222 -5.3194 -5.3194 -2.2022 -2.2022 -2.2022 -2.2022 -2.0713 -2.0713 -2.0708 -2.0708 -2.0178 -2.0178 -2.0149 -2.0149 -1.8437 -1.8437 -1.8411 -1.8411 6.4822 6.4822 6.4883 6.4883 6.7863 6.7863 6.7871 6.7871 7.0369 7.0369 7.0390 7.0390 k = 0.1585 0.5000 0.1585 ( 6112 PWs) bands (ev): -22.4095 -22.4095 -22.4095 -22.4095 -22.3096 -22.3096 -22.3096 -22.3096 -21.4010 -21.4010 -21.4010 -21.4010 -21.3808 -21.3808 -21.3808 -21.3808 -7.0193 -7.0193 -7.0182 -7.0182 -6.9064 -6.9064 -6.9058 -6.9058 -6.2812 -6.2812 -6.2788 -6.2788 -5.9790 -5.9790 -5.9768 -5.9768 -5.7591 -5.7591 -5.7579 -5.7579 -5.5786 -5.5786 -5.5774 -5.5774 -5.3508 -5.3508 -5.3505 -5.3505 -5.3219 -5.3219 -5.3198 -5.3198 -2.2087 -2.2087 -2.2086 -2.2086 -2.0734 -2.0734 -2.0730 -2.0730 -2.0184 -2.0184 -2.0158 -2.0158 -1.8348 -1.8348 -1.8324 -1.8324 6.4876 6.4876 6.4937 6.4937 6.7889 6.7889 6.7906 6.7906 7.0266 7.0266 7.0296 7.0296 k = 0.1463 0.5000 0.1463 ( 6112 PWs) bands (ev): -22.4115 -22.4115 -22.4115 -22.4115 -22.3076 -22.3076 -22.3076 -22.3076 -21.4014 -21.4014 -21.4014 -21.4014 -21.3803 -21.3803 -21.3803 -21.3803 -7.0175 -7.0175 -7.0164 -7.0164 -6.9122 -6.9122 -6.9116 -6.9116 -6.2606 -6.2606 -6.2581 -6.2581 -5.9797 -5.9797 -5.9779 -5.9779 -5.7572 -5.7572 -5.7561 -5.7561 -5.5950 -5.5950 -5.5939 -5.5939 -5.3532 -5.3532 -5.3530 -5.3530 -5.3215 -5.3215 -5.3200 -5.3200 -2.2149 -2.2149 -2.2148 -2.2148 -2.0756 -2.0756 -2.0754 -2.0754 -2.0191 -2.0191 -2.0167 -2.0167 -1.8263 -1.8263 -1.8241 -1.8241 6.4936 6.4936 6.4996 6.4996 6.7895 6.7895 6.7921 6.7921 7.0195 7.0195 7.0233 7.0233 k = 0.1341 0.5000 0.1341 ( 6108 PWs) bands (ev): -22.4135 -22.4135 -22.4135 -22.4135 -22.3058 -22.3058 -22.3058 -22.3058 -21.4017 -21.4017 -21.4017 -21.4017 -21.3798 -21.3798 -21.3798 -21.3798 -7.0152 -7.0152 -7.0141 -7.0141 -6.9178 -6.9178 -6.9172 -6.9172 -6.2402 -6.2402 -6.2375 -6.2375 -5.9843 -5.9843 -5.9830 -5.9830 -5.7517 -5.7517 -5.7507 -5.7507 -5.6113 -5.6113 -5.6103 -5.6103 -5.3559 -5.3559 -5.3553 -5.3553 -5.3209 -5.3209 -5.3199 -5.3199 -2.2207 -2.2207 -2.2206 -2.2206 -2.0779 -2.0779 -2.0777 -2.0777 -2.0198 -2.0198 -2.0177 -2.0177 -1.8183 -1.8183 -1.8164 -1.8164 6.4999 6.4999 6.5058 6.5058 6.7884 6.7884 6.7917 6.7917 7.0156 7.0156 7.0201 7.0201 k = 0.1220 0.5000 0.1220 ( 6100 PWs) bands (ev): -22.4153 -22.4153 -22.4153 -22.4153 -22.3040 -22.3040 -22.3040 -22.3040 -21.4020 -21.4020 -21.4020 -21.4020 -21.3794 -21.3794 -21.3794 -21.3794 -7.0125 -7.0125 -7.0113 -7.0113 -6.9233 -6.9233 -6.9226 -6.9226 -6.2201 -6.2201 -6.2172 -6.2172 -5.9916 -5.9916 -5.9910 -5.9910 -5.7438 -5.7438 -5.7430 -5.7430 -5.6275 -5.6275 -5.6267 -5.6267 -5.3585 -5.3585 -5.3576 -5.3576 -5.3202 -5.3202 -5.3196 -5.3196 -2.2262 -2.2262 -2.2260 -2.2260 -2.0802 -2.0802 -2.0801 -2.0801 -2.0205 -2.0205 -2.0186 -2.0186 -1.8109 -1.8109 -1.8091 -1.8091 6.5065 6.5065 6.5123 6.5123 6.7860 6.7860 6.7898 6.7898 7.0146 7.0146 7.0196 7.0196 k = 0.1098 0.5000 0.1098 ( 6088 PWs) bands (ev): -22.4170 -22.4170 -22.4170 -22.4170 -22.3024 -22.3024 -22.3024 -22.3024 -21.4023 -21.4023 -21.4023 -21.4023 -21.3791 -21.3791 -21.3791 -21.3791 -7.0094 -7.0094 -7.0082 -7.0082 -6.9286 -6.9286 -6.9279 -6.9279 -6.2005 -6.2005 -6.1973 -6.1973 -6.0005 -6.0005 -6.0004 -6.0004 -5.7349 -5.7349 -5.7342 -5.7342 -5.6432 -5.6432 -5.6425 -5.6425 -5.3609 -5.3609 -5.3599 -5.3599 -5.3196 -5.3196 -5.3192 -5.3192 -2.2312 -2.2312 -2.2310 -2.2310 -2.0825 -2.0825 -2.0825 -2.0825 -2.0212 -2.0212 -2.0195 -2.0195 -1.8040 -1.8040 -1.8024 -1.8024 6.5132 6.5132 6.5187 6.5187 6.7828 6.7828 6.7869 6.7869 7.0160 7.0160 7.0212 7.0212 k = 0.0976 0.5000 0.0976 ( 6108 PWs) bands (ev): -22.4185 -22.4185 -22.4185 -22.4185 -22.3009 -22.3009 -22.3009 -22.3009 -21.4025 -21.4025 -21.4025 -21.4025 -21.3787 -21.3787 -21.3787 -21.3787 -7.0060 -7.0060 -7.0048 -7.0048 -6.9338 -6.9338 -6.9330 -6.9330 -6.1817 -6.1817 -6.1781 -6.1781 -6.0106 -6.0106 -6.0099 -6.0099 -5.7264 -5.7264 -5.7257 -5.7257 -5.6576 -5.6576 -5.6571 -5.6571 -5.3633 -5.3633 -5.3621 -5.3621 -5.3189 -5.3189 -5.3187 -5.3187 -2.2357 -2.2357 -2.2355 -2.2355 -2.0848 -2.0848 -2.0848 -2.0848 -2.0218 -2.0218 -2.0204 -2.0204 -1.7977 -1.7977 -1.7963 -1.7963 6.5197 6.5197 6.5249 6.5249 6.7792 6.7792 6.7834 6.7834 7.0193 7.0193 7.0247 7.0247 k = 0.0854 0.5000 0.0854 ( 6096 PWs) bands (ev): -22.4198 -22.4198 -22.4198 -22.4198 -22.2996 -22.2996 -22.2996 -22.2996 -21.4028 -21.4028 -21.4028 -21.4028 -21.3784 -21.3784 -21.3784 -21.3784 -7.0024 -7.0024 -7.0012 -7.0012 -6.9388 -6.9388 -6.9380 -6.9380 -6.1639 -6.1639 -6.1600 -6.1600 -6.0205 -6.0205 -6.0190 -6.0190 -5.7202 -5.7202 -5.7195 -5.7195 -5.6694 -5.6694 -5.6692 -5.6692 -5.3655 -5.3655 -5.3643 -5.3643 -5.3182 -5.3182 -5.3182 -5.3182 -2.2398 -2.2398 -2.2396 -2.2396 -2.0870 -2.0870 -2.0869 -2.0869 -2.0224 -2.0224 -2.0212 -2.0212 -1.7921 -1.7921 -1.7909 -1.7909 6.5259 6.5259 6.5308 6.5308 6.7759 6.7759 6.7800 6.7800 7.0243 7.0243 7.0295 7.0295 k = 0.0732 0.5000 0.0732 ( 6104 PWs) bands (ev): -22.4210 -22.4210 -22.4210 -22.4210 -22.2984 -22.2984 -22.2984 -22.2984 -21.4030 -21.4030 -21.4030 -21.4030 -21.3782 -21.3782 -21.3782 -21.3782 -6.9985 -6.9985 -6.9974 -6.9974 -6.9436 -6.9436 -6.9428 -6.9428 -6.1475 -6.1475 -6.1433 -6.1433 -6.0294 -6.0294 -6.0272 -6.0272 -5.7192 -5.7192 -5.7183 -5.7183 -5.6761 -5.6761 -5.6759 -5.6759 -5.3674 -5.3674 -5.3663 -5.3663 -5.3176 -5.3176 -5.3176 -5.3176 -2.2434 -2.2434 -2.2432 -2.2432 -2.0890 -2.0890 -2.0890 -2.0890 -2.0229 -2.0229 -2.0219 -2.0219 -1.7871 -1.7871 -1.7861 -1.7861 6.5317 6.5317 6.5361 6.5361 6.7730 6.7730 6.7768 6.7768 7.0303 7.0303 7.0354 7.0354 k = 0.0610 0.5000 0.0610 ( 6092 PWs) bands (ev): -22.4220 -22.4220 -22.4220 -22.4220 -22.2974 -22.2974 -22.2974 -22.2974 -21.4032 -21.4032 -21.4032 -21.4032 -21.3780 -21.3780 -21.3780 -21.3780 -6.9946 -6.9946 -6.9934 -6.9934 -6.9482 -6.9482 -6.9474 -6.9474 -6.1331 -6.1331 -6.1286 -6.1286 -6.0368 -6.0368 -6.0340 -6.0340 -5.7245 -5.7245 -5.7236 -5.7236 -5.6764 -5.6764 -5.6760 -5.6760 -5.3692 -5.3692 -5.3681 -5.3681 -5.3171 -5.3171 -5.3170 -5.3170 -2.2464 -2.2464 -2.2463 -2.2463 -2.0908 -2.0908 -2.0907 -2.0907 -2.0233 -2.0233 -2.0225 -2.0225 -1.7829 -1.7829 -1.7820 -1.7820 6.5368 6.5368 6.5406 6.5406 6.7707 6.7707 6.7741 6.7741 7.0374 7.0374 7.0422 7.0422 k = 0.0488 0.5000 0.0488 ( 6098 PWs) bands (ev): -22.4229 -22.4229 -22.4229 -22.4229 -22.2966 -22.2966 -22.2966 -22.2966 -21.4033 -21.4033 -21.4033 -21.4033 -21.3778 -21.3778 -21.3778 -21.3778 -6.9906 -6.9906 -6.9895 -6.9895 -6.9527 -6.9527 -6.9518 -6.9518 -6.1212 -6.1212 -6.1166 -6.1166 -6.0421 -6.0421 -6.0389 -6.0389 -5.7330 -5.7330 -5.7324 -5.7324 -5.6730 -5.6730 -5.6726 -5.6726 -5.3706 -5.3706 -5.3697 -5.3697 -5.3167 -5.3167 -5.3165 -5.3165 -2.2489 -2.2489 -2.2488 -2.2488 -2.0924 -2.0924 -2.0923 -2.0923 -2.0237 -2.0237 -2.0230 -2.0230 -1.7793 -1.7793 -1.7787 -1.7787 6.5411 6.5411 6.5444 6.5444 6.7692 6.7692 6.7721 6.7721 7.0452 7.0452 7.0496 7.0496 k = 0.0366 0.5000 0.0366 ( 6106 PWs) bands (ev): -22.4235 -22.4235 -22.4235 -22.4235 -22.2959 -22.2959 -22.2959 -22.2959 -21.4034 -21.4034 -21.4034 -21.4034 -21.3776 -21.3776 -21.3776 -21.3776 -6.9866 -6.9866 -6.9856 -6.9856 -6.9569 -6.9569 -6.9560 -6.9560 -6.1121 -6.1121 -6.1079 -6.1079 -6.0451 -6.0451 -6.0419 -6.0419 -5.7417 -5.7417 -5.7412 -5.7412 -5.6689 -5.6689 -5.6686 -5.6686 -5.3717 -5.3717 -5.3710 -5.3710 -5.3163 -5.3163 -5.3162 -5.3162 -2.2509 -2.2509 -2.2508 -2.2508 -2.0936 -2.0936 -2.0935 -2.0935 -2.0240 -2.0240 -2.0235 -2.0235 -1.7766 -1.7766 -1.7760 -1.7760 6.5447 6.5447 6.5472 6.5472 6.7683 6.7683 6.7705 6.7705 7.0535 7.0535 7.0575 7.0575 k = 0.0244 0.5000 0.0244 ( 6102 PWs) bands (ev): -22.4240 -22.4240 -22.4240 -22.4240 -22.2954 -22.2954 -22.2954 -22.2954 -21.4035 -21.4035 -21.4035 -21.4035 -21.3775 -21.3775 -21.3775 -21.3775 -6.9828 -6.9828 -6.9819 -6.9819 -6.9607 -6.9607 -6.9599 -6.9599 -6.1060 -6.1060 -6.1028 -6.1028 -6.0457 -6.0457 -6.0432 -6.0432 -5.7489 -5.7489 -5.7485 -5.7485 -5.6654 -5.6654 -5.6652 -5.6652 -5.3725 -5.3725 -5.3720 -5.3720 -5.3160 -5.3160 -5.3159 -5.3159 -2.2523 -2.2523 -2.2522 -2.2522 -2.0945 -2.0945 -2.0945 -2.0945 -2.0241 -2.0241 -2.0238 -2.0238 -1.7745 -1.7745 -1.7742 -1.7742 6.5474 6.5474 6.5490 6.5490 6.7680 6.7680 6.7695 6.7695 7.0621 7.0621 7.0654 7.0654 k = 0.0122 0.5000 0.0122 ( 6102 PWs) bands (ev): -22.4243 -22.4243 -22.4243 -22.4243 -22.2952 -22.2952 -22.2952 -22.2952 -21.4036 -21.4036 -21.4036 -21.4036 -21.3775 -21.3775 -21.3775 -21.3775 -6.9797 -6.9797 -6.9790 -6.9790 -6.9637 -6.9637 -6.9632 -6.9632 -6.1023 -6.1023 -6.1006 -6.1006 -6.0451 -6.0451 -6.0437 -6.0437 -5.7535 -5.7535 -5.7533 -5.7533 -5.6632 -5.6632 -5.6631 -5.6631 -5.3730 -5.3730 -5.3727 -5.3727 -5.3158 -5.3158 -5.3157 -5.3157 -2.2531 -2.2531 -2.2531 -2.2531 -2.0951 -2.0951 -2.0950 -2.0950 -2.0242 -2.0242 -2.0240 -2.0240 -1.7733 -1.7733 -1.7731 -1.7731 6.5491 6.5491 6.5500 6.5500 6.7680 6.7680 6.7688 6.7688 7.0697 7.0697 7.0719 7.0719 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -22.4244 -22.4244 -22.4244 -22.4244 -22.2951 -22.2951 -22.2951 -22.2951 -21.4036 -21.4036 -21.4036 -21.4036 -21.3775 -21.3775 -21.3775 -21.3775 -6.9780 -6.9780 -6.9780 -6.9780 -6.9648 -6.9648 -6.9648 -6.9648 -6.1006 -6.1006 -6.1006 -6.1006 -6.0442 -6.0442 -6.0442 -6.0442 -5.7550 -5.7550 -5.7550 -5.7550 -5.6624 -5.6624 -5.6624 -5.6624 -5.3730 -5.3730 -5.3730 -5.3730 -5.3157 -5.3157 -5.3157 -5.3157 -2.2534 -2.2534 -2.2534 -2.2534 -2.0953 -2.0953 -2.0953 -2.0953 -2.0242 -2.0242 -2.0242 -2.0242 -1.7728 -1.7728 -1.7728 -1.7728 6.5500 6.5500 6.5500 6.5500 6.7683 6.7683 6.7683 6.7683 7.0739 7.0739 7.0739 7.0739 k = 0.5000 0.5000-0.0000 ( 6088 PWs) bands (ev): -22.3597 -22.3597 -22.3597 -22.3597 -22.3596 -22.3596 -22.3596 -22.3596 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -6.9788 -6.9788 -6.9788 -6.9788 -6.9778 -6.9778 -6.9778 -6.9778 -6.1639 -6.1639 -6.1639 -6.1639 -6.1589 -6.1589 -6.1589 -6.1589 -5.6392 -5.6392 -5.6392 -5.6392 -5.6376 -5.6376 -5.6376 -5.6376 -5.3230 -5.3230 -5.3230 -5.3230 -5.3203 -5.3203 -5.3203 -5.3203 -2.0603 -2.0603 -2.0603 -2.0603 -2.0513 -2.0513 -2.0513 -2.0513 -1.9990 -1.9990 -1.9990 -1.9990 -1.9897 -1.9897 -1.9897 -1.9897 6.5397 6.5397 6.5397 6.5397 6.5473 6.5473 6.5473 6.5473 7.3072 7.3072 7.3072 7.3072 k = 0.5000 0.5000 0.0172 ( 6104 PWs) bands (ev): -22.3597 -22.3597 -22.3597 -22.3597 -22.3596 -22.3596 -22.3596 -22.3596 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -6.9785 -6.9785 -6.9785 -6.9785 -6.9775 -6.9775 -6.9775 -6.9775 -6.1655 -6.1655 -6.1655 -6.1655 -6.1605 -6.1605 -6.1605 -6.1605 -5.6380 -5.6380 -5.6377 -5.6377 -5.6362 -5.6362 -5.6362 -5.6362 -5.3231 -5.3231 -5.3228 -5.3228 -5.3203 -5.3203 -5.3203 -5.3203 -2.0604 -2.0604 -2.0602 -2.0602 -2.0514 -2.0514 -2.0512 -2.0512 -1.9993 -1.9993 -1.9990 -1.9990 -1.9899 -1.9899 -1.9898 -1.9898 6.5397 6.5397 6.5398 6.5398 6.5470 6.5470 6.5477 6.5477 7.3075 7.3075 7.3080 7.3080 k = 0.5000 0.5000 0.0345 ( 6116 PWs) bands (ev): -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -21.3910 -6.9776 -6.9776 -6.9775 -6.9775 -6.9766 -6.9766 -6.9766 -6.9766 -6.1703 -6.1703 -6.1703 -6.1703 -6.1654 -6.1654 -6.1654 -6.1654 -5.6339 -5.6339 -5.6334 -5.6334 -5.6322 -5.6322 -5.6321 -5.6321 -5.3231 -5.3231 -5.3224 -5.3224 -5.3201 -5.3201 -5.3201 -5.3201 -2.0605 -2.0605 -2.0602 -2.0602 -2.0516 -2.0516 -2.0511 -2.0511 -1.9998 -1.9998 -1.9993 -1.9993 -1.9904 -1.9904 -1.9901 -1.9901 6.5400 6.5400 6.5400 6.5400 6.5469 6.5469 6.5483 6.5483 7.3088 7.3088 7.3099 7.3099 k = 0.5000 0.5000 0.0517 ( 6108 PWs) bands (ev): -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -22.3596 -21.3911 -21.3911 -21.3911 -21.3911 -21.3911 -21.3911 -21.3911 -21.3911 -6.9760 -6.9760 -6.9760 -6.9760 -6.9751 -6.9751 -6.9751 -6.9751 -6.1780 -6.1780 -6.1780 -6.1780 -6.1733 -6.1733 -6.1732 -6.1732 -5.6272 -5.6272 -5.6265 -5.6265 -5.6256 -5.6256 -5.6254 -5.6254 -5.3229 -5.3229 -5.3220 -5.3220 -5.3198 -5.3198 -5.3197 -5.3197 -2.0606 -2.0606 -2.0601 -2.0601 -2.0517 -2.0517 -2.0510 -2.0510 -2.0006 -2.0006 -1.9999 -1.9999 -1.9912 -1.9912 -1.9908 -1.9908 6.5403 6.5403 6.5403 6.5403 6.5469 6.5469 6.5490 6.5490 7.3112 7.3112 7.3129 7.3129 k = 0.5000 0.5000 0.0690 ( 6116 PWs) bands (ev): -22.3595 -22.3595 -22.3595 -22.3595 -22.3595 -22.3595 -22.3595 -22.3595 -21.3912 -21.3912 -21.3912 -21.3912 -21.3911 -21.3911 -21.3911 -21.3911 -6.9739 -6.9739 -6.9738 -6.9738 -6.9730 -6.9730 -6.9729 -6.9729 -6.1884 -6.1884 -6.1884 -6.1884 -6.1839 -6.1839 -6.1838 -6.1838 -5.6183 -5.6183 -5.6173 -5.6173 -5.6168 -5.6168 -5.6166 -5.6166 -5.3227 -5.3227 -5.3214 -5.3214 -5.3194 -5.3194 -5.3192 -5.3192 -2.0607 -2.0607 -2.0601 -2.0601 -2.0519 -2.0519 -2.0509 -2.0509 -2.0017 -2.0017 -2.0007 -2.0007 -1.9922 -1.9922 -1.9917 -1.9917 6.5408 6.5408 6.5408 6.5408 6.5470 6.5470 6.5498 6.5498 7.3146 7.3146 7.3169 7.3169 k = 0.5000 0.5000 0.0862 ( 6100 PWs) bands (ev): -22.3595 -22.3595 -22.3595 -22.3595 -22.3594 -22.3594 -22.3594 -22.3594 -21.3912 -21.3912 -21.3912 -21.3912 -21.3912 -21.3912 -21.3912 -21.3912 -6.9711 -6.9711 -6.9710 -6.9710 -6.9702 -6.9702 -6.9701 -6.9701 -6.2012 -6.2012 -6.2012 -6.2012 -6.1969 -6.1969 -6.1968 -6.1968 -5.6074 -5.6074 -5.6061 -5.6061 -5.6060 -5.6060 -5.6058 -5.6058 -5.3223 -5.3223 -5.3207 -5.3207 -5.3188 -5.3188 -5.3186 -5.3186 -2.0608 -2.0608 -2.0601 -2.0601 -2.0521 -2.0521 -2.0508 -2.0508 -2.0031 -2.0031 -2.0018 -2.0018 -1.9935 -1.9935 -1.9928 -1.9928 6.5414 6.5414 6.5414 6.5414 6.5472 6.5472 6.5507 6.5507 7.3192 7.3192 7.3221 7.3221 k = 0.5000 0.5000 0.1034 ( 6092 PWs) bands (ev): -22.3594 -22.3594 -22.3594 -22.3594 -22.3593 -22.3593 -22.3593 -22.3593 -21.3913 -21.3913 -21.3913 -21.3913 -21.3913 -21.3913 -21.3913 -21.3913 -6.9677 -6.9677 -6.9676 -6.9676 -6.9668 -6.9668 -6.9667 -6.9667 -6.2161 -6.2161 -6.2161 -6.2161 -6.2121 -6.2121 -6.2119 -6.2119 -5.5949 -5.5949 -5.5937 -5.5937 -5.5934 -5.5934 -5.5933 -5.5933 -5.3219 -5.3219 -5.3199 -5.3199 -5.3181 -5.3181 -5.3178 -5.3178 -2.0609 -2.0609 -2.0601 -2.0601 -2.0523 -2.0523 -2.0507 -2.0507 -2.0046 -2.0046 -2.0031 -2.0031 -1.9951 -1.9951 -1.9942 -1.9942 6.5421 6.5421 6.5421 6.5421 6.5475 6.5475 6.5517 6.5517 7.3248 7.3248 7.3282 7.3282 k = 0.5000 0.5000 0.1207 ( 6084 PWs) bands (ev): -22.3592 -22.3592 -22.3592 -22.3592 -22.3592 -22.3592 -22.3592 -22.3592 -21.3915 -21.3915 -21.3915 -21.3915 -21.3915 -21.3915 -21.3915 -21.3915 -6.9637 -6.9637 -6.9636 -6.9636 -6.9629 -6.9629 -6.9627 -6.9627 -6.2328 -6.2328 -6.2327 -6.2327 -6.2289 -6.2289 -6.2288 -6.2288 -5.5811 -5.5811 -5.5801 -5.5801 -5.5798 -5.5798 -5.5792 -5.5792 -5.3213 -5.3213 -5.3189 -5.3189 -5.3172 -5.3172 -5.3169 -5.3169 -2.0611 -2.0611 -2.0601 -2.0601 -2.0526 -2.0526 -2.0507 -2.0507 -2.0065 -2.0065 -2.0046 -2.0046 -1.9968 -1.9968 -1.9959 -1.9959 6.5429 6.5429 6.5429 6.5429 6.5479 6.5479 6.5527 6.5527 7.3314 7.3314 7.3354 7.3354 k = 0.5000 0.5000 0.1379 ( 6080 PWs) bands (ev): -22.3591 -22.3591 -22.3591 -22.3591 -22.3591 -22.3591 -22.3591 -22.3591 -21.3916 -21.3916 -21.3916 -21.3916 -21.3916 -21.3916 -21.3916 -21.3916 -6.9591 -6.9591 -6.9590 -6.9590 -6.9583 -6.9583 -6.9582 -6.9582 -6.2508 -6.2508 -6.2508 -6.2508 -6.2473 -6.2473 -6.2471 -6.2471 -5.5665 -5.5665 -5.5657 -5.5657 -5.5654 -5.5654 -5.5642 -5.5642 -5.3205 -5.3205 -5.3177 -5.3177 -5.3162 -5.3162 -5.3158 -5.3158 -2.0612 -2.0612 -2.0601 -2.0601 -2.0529 -2.0529 -2.0506 -2.0506 -2.0085 -2.0085 -2.0063 -2.0063 -1.9988 -1.9988 -1.9977 -1.9977 6.5437 6.5437 6.5437 6.5437 6.5484 6.5484 6.5538 6.5538 7.3390 7.3390 7.3435 7.3435 k = 0.5000 0.5000 0.1552 ( 6072 PWs) bands (ev): -22.3590 -22.3590 -22.3590 -22.3590 -22.3590 -22.3590 -22.3590 -22.3590 -21.3918 -21.3918 -21.3918 -21.3918 -21.3917 -21.3917 -21.3917 -21.3917 -6.9539 -6.9539 -6.9538 -6.9538 -6.9531 -6.9531 -6.9529 -6.9529 -6.2701 -6.2701 -6.2700 -6.2700 -6.2668 -6.2668 -6.2665 -6.2665 -5.5513 -5.5513 -5.5507 -5.5507 -5.5503 -5.5503 -5.5486 -5.5486 -5.3197 -5.3197 -5.3164 -5.3164 -5.3149 -5.3149 -5.3146 -5.3146 -2.0614 -2.0614 -2.0602 -2.0602 -2.0532 -2.0532 -2.0506 -2.0506 -2.0107 -2.0107 -2.0082 -2.0082 -2.0009 -2.0009 -1.9997 -1.9997 6.5445 6.5445 6.5446 6.5446 6.5489 6.5489 6.5549 6.5549 7.3476 7.3476 7.3526 7.3526 k = 0.5000 0.5000 0.1724 ( 6064 PWs) bands (ev): -22.3588 -22.3588 -22.3588 -22.3588 -22.3588 -22.3588 -22.3588 -22.3588 -21.3919 -21.3919 -21.3919 -21.3919 -21.3919 -21.3919 -21.3919 -21.3919 -6.9481 -6.9481 -6.9479 -6.9479 -6.9473 -6.9473 -6.9471 -6.9471 -6.2902 -6.2902 -6.2901 -6.2901 -6.2872 -6.2872 -6.2869 -6.2869 -5.5358 -5.5358 -5.5354 -5.5354 -5.5350 -5.5350 -5.5327 -5.5327 -5.3186 -5.3186 -5.3149 -5.3149 -5.3135 -5.3135 -5.3131 -5.3131 -2.0616 -2.0616 -2.0603 -2.0603 -2.0536 -2.0536 -2.0506 -2.0506 -2.0131 -2.0131 -2.0102 -2.0102 -2.0032 -2.0032 -2.0019 -2.0019 6.5454 6.5454 6.5455 6.5455 6.5494 6.5494 6.5559 6.5559 7.3571 7.3571 7.3626 7.3626 k = 0.5000 0.5000 0.1897 ( 6072 PWs) bands (ev): -22.3587 -22.3587 -22.3587 -22.3587 -22.3587 -22.3587 -22.3587 -22.3587 -21.3921 -21.3921 -21.3921 -21.3921 -21.3921 -21.3921 -21.3921 -21.3921 -6.9416 -6.9416 -6.9415 -6.9415 -6.9409 -6.9409 -6.9407 -6.9407 -6.3111 -6.3111 -6.3110 -6.3110 -6.3083 -6.3083 -6.3080 -6.3080 -5.5203 -5.5203 -5.5200 -5.5200 -5.5196 -5.5196 -5.5167 -5.5167 -5.3174 -5.3174 -5.3131 -5.3131 -5.3118 -5.3118 -5.3114 -5.3114 -2.0618 -2.0618 -2.0605 -2.0605 -2.0540 -2.0540 -2.0506 -2.0506 -2.0156 -2.0156 -2.0123 -2.0123 -2.0056 -2.0056 -2.0042 -2.0042 6.5463 6.5463 6.5463 6.5463 6.5499 6.5499 6.5570 6.5570 7.3674 7.3674 7.3735 7.3735 k = 0.5000 0.5000 0.2069 ( 6068 PWs) bands (ev): -22.3585 -22.3585 -22.3585 -22.3585 -22.3585 -22.3585 -22.3585 -22.3585 -21.3923 -21.3923 -21.3923 -21.3923 -21.3923 -21.3923 -21.3923 -21.3923 -6.9346 -6.9346 -6.9345 -6.9345 -6.9339 -6.9339 -6.9337 -6.9337 -6.3325 -6.3325 -6.3323 -6.3323 -6.3299 -6.3299 -6.3295 -6.3295 -5.5050 -5.5050 -5.5049 -5.5049 -5.5044 -5.5044 -5.5008 -5.5008 -5.3161 -5.3161 -5.3112 -5.3112 -5.3100 -5.3100 -5.3095 -5.3095 -2.0620 -2.0620 -2.0606 -2.0606 -2.0545 -2.0545 -2.0505 -2.0505 -2.0182 -2.0182 -2.0144 -2.0144 -2.0081 -2.0081 -2.0067 -2.0067 6.5471 6.5471 6.5472 6.5472 6.5504 6.5504 6.5580 6.5580 7.3786 7.3786 7.3851 7.3851 k = 0.5000 0.5000 0.2241 ( 6060 PWs) bands (ev): -22.3584 -22.3584 -22.3584 -22.3584 -22.3584 -22.3584 -22.3583 -22.3583 -21.3925 -21.3925 -21.3925 -21.3925 -21.3925 -21.3925 -21.3925 -21.3925 -6.9270 -6.9270 -6.9268 -6.9268 -6.9264 -6.9264 -6.9261 -6.9261 -6.3542 -6.3542 -6.3541 -6.3541 -6.3518 -6.3518 -6.3515 -6.3515 -5.4901 -5.4901 -5.4901 -5.4901 -5.4897 -5.4897 -5.4853 -5.4853 -5.3145 -5.3145 -5.3089 -5.3089 -5.3078 -5.3078 -5.3073 -5.3073 -2.0623 -2.0623 -2.0608 -2.0608 -2.0550 -2.0550 -2.0506 -2.0506 -2.0209 -2.0209 -2.0166 -2.0166 -2.0106 -2.0106 -2.0092 -2.0092 6.5479 6.5479 6.5480 6.5480 6.5508 6.5508 6.5590 6.5590 7.3904 7.3904 7.3974 7.3974 k = 0.5000 0.5000 0.2414 ( 6068 PWs) bands (ev): -22.3582 -22.3582 -22.3582 -22.3582 -22.3582 -22.3582 -22.3582 -22.3582 -21.3927 -21.3927 -21.3927 -21.3927 -21.3927 -21.3927 -21.3927 -21.3927 -6.9188 -6.9188 -6.9186 -6.9186 -6.9182 -6.9182 -6.9180 -6.9180 -6.3762 -6.3762 -6.3760 -6.3760 -6.3740 -6.3740 -6.3736 -6.3736 -5.4760 -5.4760 -5.4758 -5.4758 -5.4755 -5.4755 -5.4704 -5.4704 -5.3126 -5.3126 -5.3064 -5.3064 -5.3053 -5.3053 -5.3049 -5.3049 -2.0625 -2.0625 -2.0611 -2.0611 -2.0556 -2.0556 -2.0506 -2.0506 -2.0237 -2.0237 -2.0188 -2.0188 -2.0132 -2.0132 -2.0117 -2.0117 6.5487 6.5487 6.5487 6.5487 6.5512 6.5512 6.5599 6.5599 7.4029 7.4029 7.4103 7.4103 k = 0.5000 0.5000 0.2586 ( 6068 PWs) bands (ev): -22.3581 -22.3581 -22.3581 -22.3581 -22.3580 -22.3580 -22.3580 -22.3580 -21.3929 -21.3929 -21.3929 -21.3929 -21.3929 -21.3929 -21.3929 -21.3929 -6.9101 -6.9101 -6.9099 -6.9099 -6.9095 -6.9095 -6.9093 -6.9093 -6.3982 -6.3982 -6.3980 -6.3980 -6.3962 -6.3962 -6.3958 -6.3958 -5.4626 -5.4626 -5.4623 -5.4623 -5.4621 -5.4621 -5.4562 -5.4562 -5.3105 -5.3105 -5.3035 -5.3035 -5.3026 -5.3026 -5.3021 -5.3021 -2.0628 -2.0628 -2.0613 -2.0613 -2.0563 -2.0563 -2.0506 -2.0506 -2.0264 -2.0264 -2.0209 -2.0209 -2.0157 -2.0157 -2.0143 -2.0143 6.5494 6.5494 6.5494 6.5494 6.5516 6.5516 6.5607 6.5607 7.4158 7.4158 7.4237 7.4237 k = 0.5000 0.5000 0.2759 ( 6060 PWs) bands (ev): -22.3579 -22.3579 -22.3579 -22.3579 -22.3579 -22.3579 -22.3579 -22.3579 -21.3931 -21.3931 -21.3930 -21.3930 -21.3930 -21.3930 -21.3930 -21.3930 -6.9007 -6.9007 -6.9005 -6.9005 -6.9003 -6.9003 -6.9000 -6.9000 -6.4202 -6.4202 -6.4200 -6.4200 -6.4184 -6.4184 -6.4179 -6.4179 -5.4501 -5.4501 -5.4497 -5.4497 -5.4496 -5.4496 -5.4429 -5.4429 -5.3081 -5.3081 -5.3003 -5.3003 -5.2995 -5.2995 -5.2990 -5.2990 -2.0631 -2.0631 -2.0617 -2.0617 -2.0570 -2.0570 -2.0507 -2.0507 -2.0292 -2.0292 -2.0230 -2.0230 -2.0182 -2.0182 -2.0168 -2.0168 6.5500 6.5500 6.5500 6.5500 6.5519 6.5519 6.5614 6.5614 7.4291 7.4291 7.4374 7.4374 k = 0.5000 0.5000 0.2931 ( 6060 PWs) bands (ev): -22.3577 -22.3577 -22.3577 -22.3577 -22.3577 -22.3577 -22.3577 -22.3577 -21.3933 -21.3933 -21.3932 -21.3932 -21.3932 -21.3932 -21.3932 -21.3932 -6.8909 -6.8909 -6.8907 -6.8907 -6.8905 -6.8905 -6.8902 -6.8902 -6.4420 -6.4420 -6.4419 -6.4419 -6.4404 -6.4404 -6.4400 -6.4400 -5.4386 -5.4386 -5.4382 -5.4382 -5.4381 -5.4381 -5.4307 -5.4307 -5.3054 -5.3054 -5.2968 -5.2968 -5.2961 -5.2961 -5.2956 -5.2956 -2.0634 -2.0634 -2.0620 -2.0620 -2.0579 -2.0579 -2.0508 -2.0508 -2.0318 -2.0318 -2.0249 -2.0249 -2.0206 -2.0206 -2.0193 -2.0193 6.5505 6.5505 6.5506 6.5506 6.5522 6.5522 6.5620 6.5620 7.4425 7.4425 7.4512 7.4512 k = 0.5000 0.5000 0.3103 ( 6056 PWs) bands (ev): -22.3576 -22.3576 -22.3576 -22.3576 -22.3576 -22.3576 -22.3575 -22.3575 -21.3934 -21.3934 -21.3934 -21.3934 -21.3934 -21.3934 -21.3934 -21.3934 -6.8806 -6.8806 -6.8804 -6.8804 -6.8802 -6.8802 -6.8799 -6.8799 -6.4637 -6.4637 -6.4635 -6.4635 -6.4622 -6.4622 -6.4617 -6.4617 -5.4282 -5.4282 -5.4278 -5.4278 -5.4278 -5.4278 -5.4196 -5.4196 -5.3023 -5.3023 -5.2930 -5.2930 -5.2923 -5.2923 -5.2919 -5.2919 -2.0637 -2.0637 -2.0624 -2.0624 -2.0588 -2.0588 -2.0509 -2.0509 -2.0343 -2.0343 -2.0267 -2.0267 -2.0229 -2.0229 -2.0216 -2.0216 6.5510 6.5510 6.5510 6.5510 6.5524 6.5524 6.5626 6.5626 7.4560 7.4563 7.4653 7.4655 k = 0.5000 0.5000 0.3276 ( 6056 PWs) bands (ev): -22.3574 -22.3574 -22.3574 -22.3574 -22.3574 -22.3574 -22.3574 -22.3574 -21.3936 -21.3936 -21.3936 -21.3936 -21.3936 -21.3936 -21.3936 -21.3936 -6.8698 -6.8698 -6.8696 -6.8696 -6.8695 -6.8695 -6.8691 -6.8691 -6.4850 -6.4850 -6.4848 -6.4848 -6.4837 -6.4837 -6.4831 -6.4831 -5.4189 -5.4189 -5.4186 -5.4186 -5.4186 -5.4186 -5.4097 -5.4097 -5.2990 -5.2990 -5.2890 -5.2890 -5.2884 -5.2884 -5.2880 -5.2880 -2.0641 -2.0641 -2.0629 -2.0629 -2.0597 -2.0597 -2.0511 -2.0511 -2.0367 -2.0367 -2.0283 -2.0283 -2.0250 -2.0250 -2.0239 -2.0239 6.5514 6.5514 6.5514 6.5514 6.5526 6.5526 6.5631 6.5631 7.4694 7.4696 7.4791 7.4795 k = 0.5000 0.5000 0.3448 ( 6056 PWs) bands (ev): -22.3573 -22.3573 -22.3573 -22.3573 -22.3573 -22.3573 -22.3572 -22.3572 -21.3938 -21.3938 -21.3938 -21.3938 -21.3938 -21.3938 -21.3938 -21.3938 -6.8585 -6.8585 -6.8583 -6.8583 -6.8583 -6.8583 -6.8580 -6.8580 -6.5058 -6.5058 -6.5056 -6.5056 -6.5046 -6.5046 -6.5041 -6.5041 -5.4109 -5.4109 -5.4106 -5.4106 -5.4105 -5.4105 -5.4010 -5.4010 -5.2954 -5.2954 -5.2847 -5.2847 -5.2842 -5.2842 -5.2839 -5.2839 -2.0644 -2.0644 -2.0634 -2.0634 -2.0607 -2.0607 -2.0514 -2.0514 -2.0389 -2.0389 -2.0298 -2.0298 -2.0270 -2.0270 -2.0260 -2.0260 6.5517 6.5517 6.5517 6.5517 6.5527 6.5527 6.5634 6.5634 7.4823 7.4834 7.4935 7.4938 k = 0.5000 0.5000 0.3621 ( 6056 PWs) bands (ev): -22.3571 -22.3571 -22.3571 -22.3571 -22.3571 -22.3571 -22.3571 -22.3571 -21.3939 -21.3939 -21.3939 -21.3939 -21.3939 -21.3939 -21.3939 -21.3939 -6.8470 -6.8470 -6.8468 -6.8468 -6.8468 -6.8468 -6.8465 -6.8465 -6.5260 -6.5260 -6.5259 -6.5259 -6.5251 -6.5251 -6.5245 -6.5245 -5.4039 -5.4039 -5.4037 -5.4037 -5.4036 -5.4036 -5.3936 -5.3936 -5.2916 -5.2916 -5.2805 -5.2805 -5.2800 -5.2800 -5.2798 -5.2798 -2.0648 -2.0648 -2.0639 -2.0639 -2.0617 -2.0617 -2.0517 -2.0517 -2.0408 -2.0408 -2.0310 -2.0310 -2.0288 -2.0288 -2.0279 -2.0279 6.5520 6.5520 6.5520 6.5520 6.5527 6.5527 6.5638 6.5638 7.4953 7.4956 7.5055 7.5060 k = 0.5000 0.5000 0.3793 ( 6064 PWs) bands (ev): -22.3570 -22.3570 -22.3570 -22.3570 -22.3570 -22.3570 -22.3570 -22.3570 -21.3941 -21.3941 -21.3941 -21.3941 -21.3941 -21.3941 -21.3941 -21.3941 -6.8352 -6.8352 -6.8351 -6.8351 -6.8350 -6.8350 -6.8348 -6.8348 -6.5456 -6.5456 -6.5454 -6.5454 -6.5447 -6.5447 -6.5442 -6.5442 -5.3981 -5.3981 -5.3979 -5.3979 -5.3978 -5.3978 -5.3875 -5.3875 -5.2878 -5.2878 -5.2762 -5.2762 -5.2759 -5.2759 -5.2757 -5.2757 -2.0651 -2.0651 -2.0644 -2.0644 -2.0627 -2.0627 -2.0522 -2.0522 -2.0424 -2.0424 -2.0321 -2.0321 -2.0304 -2.0304 -2.0296 -2.0296 6.5522 6.5522 6.5522 6.5522 6.5528 6.5528 6.5640 6.5640 7.5063 7.5073 7.5171 7.5175 k = 0.5000 0.5000 0.3966 ( 6056 PWs) bands (ev): -22.3569 -22.3569 -22.3569 -22.3569 -22.3569 -22.3569 -22.3569 -22.3569 -21.3942 -21.3942 -21.3942 -21.3942 -21.3942 -21.3942 -21.3942 -21.3942 -6.8234 -6.8234 -6.8233 -6.8233 -6.8232 -6.8232 -6.8230 -6.8230 -6.5642 -6.5642 -6.5641 -6.5641 -6.5635 -6.5635 -6.5629 -6.5629 -5.3932 -5.3932 -5.3931 -5.3931 -5.3930 -5.3930 -5.3824 -5.3824 -5.2841 -5.2841 -5.2722 -5.2722 -5.2720 -5.2720 -5.2718 -5.2718 -2.0655 -2.0655 -2.0649 -2.0649 -2.0636 -2.0636 -2.0527 -2.0527 -2.0437 -2.0437 -2.0330 -2.0330 -2.0317 -2.0317 -2.0311 -2.0311 6.5524 6.5524 6.5524 6.5524 6.5528 6.5528 6.5642 6.5642 7.5169 7.5191 7.5276 7.5281 k = 0.5000 0.5000 0.4138 ( 6064 PWs) bands (ev): -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -21.3943 -21.3943 -21.3943 -21.3943 -21.3943 -21.3943 -21.3943 -21.3943 -6.8117 -6.8117 -6.8116 -6.8116 -6.8115 -6.8115 -6.8113 -6.8113 -6.5817 -6.5817 -6.5816 -6.5816 -6.5811 -6.5811 -6.5805 -6.5805 -5.3893 -5.3893 -5.3892 -5.3892 -5.3892 -5.3892 -5.3783 -5.3783 -5.2806 -5.2806 -5.2685 -5.2685 -5.2684 -5.2684 -5.2683 -5.2683 -2.0658 -2.0658 -2.0654 -2.0654 -2.0645 -2.0645 -2.0533 -2.0533 -2.0448 -2.0448 -2.0338 -2.0338 -2.0329 -2.0329 -2.0325 -2.0325 6.5525 6.5525 6.5525 6.5525 6.5528 6.5528 6.5643 6.5643 7.5263 7.5267 7.5372 7.5374 k = 0.5000 0.5000 0.4310 ( 6064 PWs) bands (ev): -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -22.3568 -22.3567 -22.3567 -21.3944 -21.3944 -21.3944 -21.3944 -21.3944 -21.3944 -21.3944 -21.3944 -6.8006 -6.8006 -6.8004 -6.8004 -6.8003 -6.8003 -6.8002 -6.8002 -6.5976 -6.5976 -6.5975 -6.5975 -6.5972 -6.5972 -6.5965 -6.5965 -5.3862 -5.3862 -5.3861 -5.3861 -5.3861 -5.3861 -5.3752 -5.3752 -5.2776 -5.2776 -5.2653 -5.2653 -5.2652 -5.2652 -5.2652 -5.2652 -2.0661 -2.0661 -2.0658 -2.0658 -2.0652 -2.0652 -2.0539 -2.0539 -2.0455 -2.0455 -2.0344 -2.0344 -2.0338 -2.0338 -2.0335 -2.0335 6.5526 6.5526 6.5526 6.5526 6.5528 6.5528 6.5645 6.5645 7.5343 7.5355 7.5452 7.5453 k = 0.5000 0.5000 0.4483 ( 6056 PWs) bands (ev): -22.3567 -22.3567 -22.3567 -22.3567 -22.3567 -22.3567 -22.3567 -22.3567 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7905 -6.7905 -6.7902 -6.7902 -6.7901 -6.7901 -6.7900 -6.7900 -6.6115 -6.6115 -6.6114 -6.6114 -6.6112 -6.6112 -6.6105 -6.6105 -5.3839 -5.3839 -5.3838 -5.3838 -5.3838 -5.3838 -5.3728 -5.3728 -5.2750 -5.2750 -5.2627 -5.2627 -5.2627 -5.2627 -5.2626 -5.2626 -2.0663 -2.0663 -2.0662 -2.0662 -2.0658 -2.0658 -2.0545 -2.0545 -2.0460 -2.0460 -2.0349 -2.0349 -2.0345 -2.0345 -2.0344 -2.0344 6.5527 6.5527 6.5527 6.5527 6.5528 6.5528 6.5645 6.5645 7.5405 7.5420 7.5516 7.5517 k = 0.5000 0.5000 0.4655 ( 6048 PWs) bands (ev): -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7822 -6.7822 -6.7817 -6.7817 -6.7817 -6.7817 -6.7816 -6.7816 -6.6225 -6.6225 -6.6225 -6.6225 -6.6224 -6.6224 -6.6216 -6.6216 -5.3823 -5.3823 -5.3822 -5.3822 -5.3822 -5.3822 -5.3712 -5.3712 -5.2731 -5.2731 -5.2608 -5.2608 -5.2608 -5.2608 -5.2607 -5.2607 -2.0665 -2.0665 -2.0664 -2.0664 -2.0663 -2.0663 -2.0550 -2.0550 -2.0463 -2.0463 -2.0352 -2.0352 -2.0350 -2.0350 -2.0349 -2.0349 6.5527 6.5527 6.5527 6.5527 6.5527 6.5527 6.5646 6.5646 7.5454 7.5460 7.5563 7.5564 k = 0.5000 0.5000 0.4828 ( 6008 PWs) bands (ev): -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7765 -6.7765 -6.7760 -6.7760 -6.7760 -6.7760 -6.7760 -6.7760 -6.6298 -6.6298 -6.6298 -6.6298 -6.6298 -6.6298 -6.6290 -6.6290 -5.3813 -5.3813 -5.3813 -5.3813 -5.3813 -5.3813 -5.3702 -5.3702 -5.2720 -5.2720 -5.2596 -5.2596 -5.2596 -5.2596 -5.2596 -5.2596 -2.0666 -2.0666 -2.0666 -2.0666 -2.0665 -2.0665 -2.0552 -2.0552 -2.0464 -2.0464 -2.0353 -2.0353 -2.0353 -2.0353 -2.0353 -2.0353 6.5528 6.5528 6.5528 6.5528 6.5528 6.5528 6.5647 6.5647 7.5479 7.5489 7.5593 7.5593 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -22.3566 -21.3946 -21.3946 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -21.3945 -6.7745 -6.7745 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.7739 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6323 -6.6315 -6.6315 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3810 -5.3699 -5.3699 -5.2716 -5.2716 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -5.2592 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0666 -2.0553 -2.0553 -2.0465 -2.0465 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 -2.0354 6.5528 6.5528 6.5528 6.5528 6.5528 6.5528 6.5647 6.5647 7.5489 7.5489 7.5602 7.5602 Writing output data file CO2.save init_run : 0.14s CPU 0.32s WALL ( 1 calls) electrons : 376.36s CPU 381.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 376.35s CPU 381.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 225 calls) cegterg : 360.60s CPU 364.54s WALL ( 677 calls) Called by sum_band: Called by *egterg: h_psi : 161.81s CPU 163.74s WALL ( 13001 calls) s_psi : 8.16s CPU 8.18s WALL ( 13001 calls) g_psi : 0.48s CPU 0.50s WALL ( 12099 calls) cdiaghg : 154.74s CPU 156.50s WALL ( 12324 calls) cegterg:over : 17.04s CPU 17.16s WALL ( 12099 calls) cegterg:upda : 18.28s CPU 18.48s WALL ( 12099 calls) cegterg:last : 6.70s CPU 6.75s WALL ( 1354 calls) cdiaghg:chol : 9.02s CPU 9.08s WALL ( 12324 calls) cdiaghg:inve : 6.38s CPU 6.55s WALL ( 12324 calls) cdiaghg:para : 11.12s CPU 11.26s WALL ( 24648 calls) Called by h_psi: h_psi:vloc : 140.77s CPU 142.64s WALL ( 13001 calls) h_psi:vnl : 20.41s CPU 20.47s WALL ( 13001 calls) add_vuspsi : 8.89s CPU 8.73s WALL ( 13001 calls) General routines calbec : 11.49s CPU 11.71s WALL ( 13001 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 132.01s CPU 133.92s WALL ( 1211776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.35s WALL ( 450 calls) Parallel routines fft_scatter : 45.48s CPU 46.03s WALL ( 1211799 calls) PWSCF : 6m34.56s CPU 6m57.57s WALL This run was terminated on: 17:17:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=