Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:33:37 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: ./SiAs2.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 50 50 14 1604 1604 246 Max 51 51 15 1610 1610 251 Sum 1801 1801 517 57873 57873 8925 bravais-lattice index = 14 lattice parameter (alat) = 11.3822 a.u. unit-cell volume = 1474.6140 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 176.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.382198 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Si 4.00 28.08550 Si( 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= 207 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0048309 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0048309 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0048309 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0048309 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0048309 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0048309 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0048309 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0048309 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0048309 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0048309 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0048309 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0048309 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0048309 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0048309 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0048309 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0048309 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0048309 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0048309 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0048309 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0048309 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0048309 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0048309 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0048309 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0048309 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0048309 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0048309 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0048309 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0048309 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0048309 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0048309 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0048309 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0048309 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0048309 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0048309 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0048309 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0048309 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0048309 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0048309 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0048309 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0048309 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0048309 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0048309 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0048309 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0048309 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0048309 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0048309 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0048309 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0048309 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0048309 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0048309 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0048309 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0048309 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0048309 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0048309 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0048309 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0048309 k( 58) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0048309 k( 59) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0048309 k( 60) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0048309 k( 61) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0048309 k( 62) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0048309 k( 63) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0048309 k( 64) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0048309 k( 65) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0048309 k( 66) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0048309 k( 67) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0048309 k( 68) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0048309 k( 69) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0048309 k( 70) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0048309 k( 71) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0048309 k( 72) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0048309 k( 73) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0048309 k( 74) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0048309 k( 75) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0048309 k( 76) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0048309 k( 77) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0048309 k( 78) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0048309 k( 79) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0048309 k( 80) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0048309 k( 81) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0048309 k( 82) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0048309 k( 83) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0048309 k( 84) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0048309 k( 85) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0048309 k( 86) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0048309 k( 87) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0048309 k( 88) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0048309 k( 89) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0048309 k( 90) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0048309 k( 91) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0048309 k( 92) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0048309 k( 93) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0048309 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 96) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0048309 k( 97) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0048309 k( 98) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0048309 k( 99) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0048309 k( 100) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0048309 k( 101) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0048309 k( 102) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0048309 k( 103) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0048309 k( 104) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0048309 k( 105) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0048309 k( 106) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0048309 k( 107) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0048309 k( 108) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0048309 k( 109) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0048309 k( 110) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0048309 k( 111) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0048309 k( 112) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0048309 k( 113) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0048309 k( 114) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0048309 k( 115) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0048309 k( 116) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0048309 k( 117) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0048309 k( 118) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0048309 k( 119) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0048309 k( 120) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0048309 k( 121) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0048309 k( 122) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0048309 k( 123) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0048309 k( 124) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0048309 k( 125) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0048309 k( 126) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0048309 k( 127) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0048309 k( 128) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0048309 k( 129) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0048309 k( 130) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0048309 k( 131) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0048309 k( 132) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0048309 k( 133) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0048309 k( 134) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0048309 k( 135) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0048309 k( 136) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0048309 k( 137) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0048309 k( 138) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0048309 k( 139) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0048309 k( 140) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0048309 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 143) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0048309 k( 144) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0048309 k( 145) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0048309 k( 146) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0048309 k( 147) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0048309 k( 148) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0048309 k( 149) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0048309 k( 150) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0048309 k( 151) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0048309 k( 152) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0048309 k( 153) = ( 0.3513514 0.5000000 0.3513513), wk = 0.0048309 k( 154) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0048309 k( 155) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0048309 k( 156) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0048309 k( 157) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0048309 k( 158) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0048309 k( 159) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0048309 k( 160) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0048309 k( 161) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0048309 k( 162) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0048309 k( 163) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0048309 k( 164) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0048309 k( 165) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0048309 k( 166) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0048309 k( 167) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0048309 k( 168) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0048309 k( 169) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0048309 k( 170) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0048309 k( 171) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0048309 k( 172) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0048309 k( 173) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0048309 k( 174) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0048309 k( 175) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0048309 k( 176) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0048309 k( 177) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0048309 k( 178) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0048309 k( 179) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0048309 k( 180) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0048309 k( 181) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0048309 k( 182) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0048309 k( 183) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0048309 k( 184) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0048309 k( 185) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0048309 k( 186) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0048309 k( 187) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0048309 k( 188) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0048309 k( 189) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0048309 k( 190) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0048309 k( 191) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0048309 k( 192) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0048309 k( 193) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0048309 k( 194) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0048309 k( 195) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0048309 k( 196) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0048309 k( 197) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0048309 k( 198) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0048309 k( 199) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0048309 k( 200) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0048309 k( 201) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0048309 k( 202) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0048309 k( 203) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0048309 k( 204) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0048309 k( 205) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0048309 k( 206) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0048309 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0048309 k( 3) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0048309 k( 4) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0048309 k( 5) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0048309 k( 6) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0048309 k( 7) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0048309 k( 8) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0048309 k( 9) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0048309 k( 10) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0048309 k( 11) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0048309 k( 12) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0048309 k( 13) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0048309 k( 14) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0048309 k( 15) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0048309 k( 16) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0048309 k( 17) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0048309 k( 18) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0048309 k( 19) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0048309 k( 20) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0048309 k( 21) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0048309 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0048309 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0048309 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0048309 k( 25) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0048309 k( 26) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0048309 k( 27) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0048309 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0048309 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0048309 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0048309 k( 31) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0048309 k( 32) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0048309 k( 33) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0048309 k( 34) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0048309 k( 35) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0048309 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0048309 k( 37) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0048309 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0048309 k( 39) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0048309 k( 40) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0048309 k( 41) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0048309 k( 42) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0048309 k( 43) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0048309 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0048309 k( 45) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0048309 k( 46) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0048309 k( 47) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0048309 k( 48) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0048309 k( 49) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0048309 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0048309 k( 51) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0048309 k( 52) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0048309 k( 53) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0048309 k( 54) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0048309 k( 55) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0048309 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048309 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048309 k( 58) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0048309 k( 59) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0048309 k( 60) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0048309 k( 61) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0048309 k( 62) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0048309 k( 63) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0048309 k( 64) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0048309 k( 65) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0048309 k( 66) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0048309 k( 67) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0048309 k( 68) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0048309 k( 69) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0048309 k( 70) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0048309 k( 71) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0048309 k( 72) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0048309 k( 73) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0048309 k( 74) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0048309 k( 75) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0048309 k( 76) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0048309 k( 77) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0048309 k( 78) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0048309 k( 79) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0048309 k( 80) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0048309 k( 81) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0048309 k( 82) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0048309 k( 83) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0048309 k( 84) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0048309 k( 85) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0048309 k( 86) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0048309 k( 87) = ( 0.0945946 0.0945946 0.0000000), wk = 0.0048309 k( 88) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0048309 k( 89) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0048309 k( 90) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0048309 k( 91) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0048309 k( 92) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0048309 k( 93) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0048309 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 96) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0048309 k( 97) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0048309 k( 98) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0048309 k( 99) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0048309 k( 100) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0048309 k( 101) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0048309 k( 102) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0048309 k( 103) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0048309 k( 104) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0048309 k( 105) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0048309 k( 106) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0048309 k( 107) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0048309 k( 108) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0048309 k( 109) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0048309 k( 110) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0048309 k( 111) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0048309 k( 112) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0048309 k( 113) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0048309 k( 114) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0048309 k( 115) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0048309 k( 116) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0048309 k( 117) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0048309 k( 118) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0048309 k( 119) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0048309 k( 120) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0048309 k( 121) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0048309 k( 122) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0048309 k( 123) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0048309 k( 124) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0048309 k( 125) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0048309 k( 126) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0048309 k( 127) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0048309 k( 128) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0048309 k( 129) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0048309 k( 130) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0048309 k( 131) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0048309 k( 132) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0048309 k( 133) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0048309 k( 134) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0048309 k( 135) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0048309 k( 136) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0048309 k( 137) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0048309 k( 138) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0048309 k( 139) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0048309 k( 140) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0048309 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 143) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0048309 k( 144) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0048309 k( 145) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0048309 k( 146) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0048309 k( 147) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0048309 k( 148) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0048309 k( 149) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0048309 k( 150) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0048309 k( 151) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0048309 k( 152) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0048309 k( 153) = ( 0.3513514 0.5000000 0.3513514), wk = 0.0048309 k( 154) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0048309 k( 155) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0048309 k( 156) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0048309 k( 157) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0048309 k( 158) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0048309 k( 159) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0048309 k( 160) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0048309 k( 161) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0048309 k( 162) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0048309 k( 163) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0048309 k( 164) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0048309 k( 165) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0048309 k( 166) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0048309 k( 167) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0048309 k( 168) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0048309 k( 169) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0048309 k( 170) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0048309 k( 171) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0048309 k( 172) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0048309 k( 173) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0048309 k( 174) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0048309 k( 175) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0048309 k( 176) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0048309 k( 177) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0048309 k( 178) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0048309 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0048309 k( 180) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048309 k( 181) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0048309 k( 182) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0048309 k( 183) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0048309 k( 184) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0048309 k( 185) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0048309 k( 186) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0048309 k( 187) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0048309 k( 188) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0048309 k( 189) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0048309 k( 190) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0048309 k( 191) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0048309 k( 192) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0048309 k( 193) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0048309 k( 194) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0048309 k( 195) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0048309 k( 196) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0048309 k( 197) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0048309 k( 198) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0048309 k( 199) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0048309 k( 200) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0048309 k( 201) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0048309 k( 202) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0048309 k( 203) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0048309 k( 204) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0048309 k( 205) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0048309 k( 206) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0048309 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 Dense grid: 57873 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 426, 68) NL pseudopotentials 0.81 Mb ( 213, 248) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1610) G-vector shells 0.00 Mb ( 386) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.77 Mb ( 426, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.51 Mb ( 248, 2, 68) The potential is recalculated from file : ./SiAs2.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 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 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 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.9 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.4 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.6 secs Computing kpt #: 21 total cpu time spent up to now is 24.7 secs Computing kpt #: 22 total cpu time spent up to now is 25.8 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 28.0 secs Computing kpt #: 25 total cpu time spent up to now is 29.1 secs Computing kpt #: 26 total cpu time spent up to now is 30.1 secs Computing kpt #: 27 total cpu time spent up to now is 31.0 secs Computing kpt #: 28 total cpu time spent up to now is 32.0 secs Computing kpt #: 29 total cpu time spent up to now is 32.9 secs Computing kpt #: 30 total cpu time spent up to now is 33.9 secs Computing kpt #: 31 total cpu time spent up to now is 34.8 secs Computing kpt #: 32 total cpu time spent up to now is 35.7 secs Computing kpt #: 33 total cpu time spent up to now is 36.7 secs Computing kpt #: 34 total cpu time spent up to now is 37.6 secs Computing kpt #: 35 total cpu time spent up to now is 38.5 secs Computing kpt #: 36 total cpu time spent up to now is 39.5 secs Computing kpt #: 37 total cpu time spent up to now is 40.4 secs Computing kpt #: 38 total cpu time spent up to now is 41.4 secs Computing kpt #: 39 total cpu time spent up to now is 42.4 secs Computing kpt #: 40 total cpu time spent up to now is 43.4 secs Computing kpt #: 41 total cpu time spent up to now is 44.4 secs Computing kpt #: 42 total cpu time spent up to now is 45.4 secs Computing kpt #: 43 total cpu time spent up to now is 46.4 secs Computing kpt #: 44 total cpu time spent up to now is 47.4 secs Computing kpt #: 45 total cpu time spent up to now is 48.6 secs Computing kpt #: 46 total cpu time spent up to now is 49.7 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 52.0 secs Computing kpt #: 49 total cpu time spent up to now is 53.1 secs Computing kpt #: 50 total cpu time spent up to now is 54.2 secs Computing kpt #: 51 total cpu time spent up to now is 55.3 secs Computing kpt #: 52 total cpu time spent up to now is 56.4 secs Computing kpt #: 53 total cpu time spent up to now is 57.5 secs Computing kpt #: 54 total cpu time spent up to now is 58.6 secs Computing kpt #: 55 total cpu time spent up to now is 59.7 secs Computing kpt #: 56 total cpu time spent up to now is 60.8 secs Computing kpt #: 57 total cpu time spent up to now is 61.9 secs Computing kpt #: 58 total cpu time spent up to now is 63.0 secs Computing kpt #: 59 total cpu time spent up to now is 64.2 secs Computing kpt #: 60 total cpu time spent up to now is 65.5 secs Computing kpt #: 61 total cpu time spent up to now is 66.6 secs Computing kpt #: 62 total cpu time spent up to now is 67.7 secs Computing kpt #: 63 total cpu time spent up to now is 68.7 secs Computing kpt #: 64 total cpu time spent up to now is 69.7 secs Computing kpt #: 65 total cpu time spent up to now is 70.6 secs Computing kpt #: 66 total cpu time spent up to now is 71.6 secs Computing kpt #: 67 total cpu time spent up to now is 72.6 secs Computing kpt #: 68 total cpu time spent up to now is 73.6 secs Computing kpt #: 69 total cpu time spent up to now is 74.7 secs Computing kpt #: 70 total cpu time spent up to now is 75.8 secs Computing kpt #: 71 total cpu time spent up to now is 76.9 secs Computing kpt #: 72 total cpu time spent up to now is 78.0 secs Computing kpt #: 73 total cpu time spent up to now is 79.1 secs Computing kpt #: 74 total cpu time spent up to now is 80.2 secs Computing kpt #: 75 total cpu time spent up to now is 81.3 secs Computing kpt #: 76 total cpu time spent up to now is 82.5 secs Computing kpt #: 77 total cpu time spent up to now is 83.6 secs Computing kpt #: 78 total cpu time spent up to now is 84.8 secs Computing kpt #: 79 total cpu time spent up to now is 85.9 secs Computing kpt #: 80 total cpu time spent up to now is 87.0 secs Computing kpt #: 81 total cpu time spent up to now is 88.1 secs Computing kpt #: 82 total cpu time spent up to now is 89.3 secs Computing kpt #: 83 total cpu time spent up to now is 90.4 secs Computing kpt #: 84 total cpu time spent up to now is 91.5 secs Computing kpt #: 85 total cpu time spent up to now is 92.6 secs Computing kpt #: 86 total cpu time spent up to now is 93.7 secs Computing kpt #: 87 total cpu time spent up to now is 94.8 secs Computing kpt #: 88 total cpu time spent up to now is 95.8 secs Computing kpt #: 89 total cpu time spent up to now is 96.9 secs Computing kpt #: 90 total cpu time spent up to now is 98.0 secs Computing kpt #: 91 total cpu time spent up to now is 99.2 secs Computing kpt #: 92 total cpu time spent up to now is 100.4 secs Computing kpt #: 93 total cpu time spent up to now is 101.5 secs Computing kpt #: 94 total cpu time spent up to now is 102.8 secs Computing kpt #: 95 total cpu time spent up to now is 103.9 secs Computing kpt #: 96 total cpu time spent up to now is 105.1 secs Computing kpt #: 97 total cpu time spent up to now is 106.2 secs Computing kpt #: 98 total cpu time spent up to now is 107.3 secs Computing kpt #: 99 total cpu time spent up to now is 108.5 secs Computing kpt #: 100 total cpu time spent up to now is 109.5 secs Computing kpt #: 101 total cpu time spent up to now is 110.6 secs Computing kpt #: 102 total cpu time spent up to now is 111.7 secs Computing kpt #: 103 total cpu time spent up to now is 112.7 secs Computing kpt #: 104 total cpu time spent up to now is 113.8 secs Computing kpt #: 105 total cpu time spent up to now is 114.9 secs Computing kpt #: 106 total cpu time spent up to now is 116.0 secs Computing kpt #: 107 total cpu time spent up to now is 117.1 secs Computing kpt #: 108 total cpu time spent up to now is 118.0 secs Computing kpt #: 109 total cpu time spent up to now is 119.0 secs Computing kpt #: 110 total cpu time spent up to now is 119.9 secs Computing kpt #: 111 total cpu time spent up to now is 121.0 secs Computing kpt #: 112 total cpu time spent up to now is 122.2 secs Computing kpt #: 113 total cpu time spent up to now is 123.3 secs Computing kpt #: 114 total cpu time spent up to now is 124.4 secs Computing kpt #: 115 total cpu time spent up to now is 125.5 secs Computing kpt #: 116 total cpu time spent up to now is 126.6 secs Computing kpt #: 117 total cpu time spent up to now is 127.7 secs Computing kpt #: 118 total cpu time spent up to now is 128.8 secs Computing kpt #: 119 total cpu time spent up to now is 129.9 secs Computing kpt #: 120 total cpu time spent up to now is 131.1 secs Computing kpt #: 121 total cpu time spent up to now is 132.1 secs Computing kpt #: 122 total cpu time spent up to now is 133.2 secs Computing kpt #: 123 total cpu time spent up to now is 134.3 secs Computing kpt #: 124 total cpu time spent up to now is 135.4 secs Computing kpt #: 125 total cpu time spent up to now is 136.4 secs Computing kpt #: 126 total cpu time spent up to now is 137.3 secs Computing kpt #: 127 total cpu time spent up to now is 138.2 secs Computing kpt #: 128 total cpu time spent up to now is 139.3 secs Computing kpt #: 129 total cpu time spent up to now is 140.2 secs Computing kpt #: 130 total cpu time spent up to now is 141.2 secs Computing kpt #: 131 total cpu time spent up to now is 142.2 secs Computing kpt #: 132 total cpu time spent up to now is 143.2 secs Computing kpt #: 133 total cpu time spent up to now is 144.3 secs Computing kpt #: 134 total cpu time spent up to now is 145.3 secs Computing kpt #: 135 total cpu time spent up to now is 146.4 secs Computing kpt #: 136 total cpu time spent up to now is 147.5 secs Computing kpt #: 137 total cpu time spent up to now is 149.0 secs Computing kpt #: 138 total cpu time spent up to now is 150.8 secs Computing kpt #: 139 total cpu time spent up to now is 152.8 secs Computing kpt #: 140 total cpu time spent up to now is 154.9 secs Computing kpt #: 141 total cpu time spent up to now is 156.5 secs Computing kpt #: 142 total cpu time spent up to now is 158.2 secs Computing kpt #: 143 total cpu time spent up to now is 159.7 secs Computing kpt #: 144 total cpu time spent up to now is 160.8 secs Computing kpt #: 145 total cpu time spent up to now is 161.8 secs Computing kpt #: 146 total cpu time spent up to now is 162.8 secs Computing kpt #: 147 total cpu time spent up to now is 163.7 secs Computing kpt #: 148 total cpu time spent up to now is 164.6 secs Computing kpt #: 149 total cpu time spent up to now is 165.4 secs Computing kpt #: 150 total cpu time spent up to now is 166.3 secs Computing kpt #: 151 total cpu time spent up to now is 167.1 secs Computing kpt #: 152 total cpu time spent up to now is 168.0 secs Computing kpt #: 153 total cpu time spent up to now is 168.9 secs Computing kpt #: 154 total cpu time spent up to now is 169.7 secs Computing kpt #: 155 total cpu time spent up to now is 170.6 secs Computing kpt #: 156 total cpu time spent up to now is 171.4 secs Computing kpt #: 157 total cpu time spent up to now is 172.3 secs Computing kpt #: 158 total cpu time spent up to now is 173.1 secs Computing kpt #: 159 total cpu time spent up to now is 174.0 secs Computing kpt #: 160 total cpu time spent up to now is 174.9 secs Computing kpt #: 161 total cpu time spent up to now is 175.8 secs Computing kpt #: 162 total cpu time spent up to now is 176.7 secs Computing kpt #: 163 total cpu time spent up to now is 177.7 secs Computing kpt #: 164 total cpu time spent up to now is 178.6 secs Computing kpt #: 165 total cpu time spent up to now is 179.5 secs Computing kpt #: 166 total cpu time spent up to now is 180.4 secs Computing kpt #: 167 total cpu time spent up to now is 181.3 secs Computing kpt #: 168 total cpu time spent up to now is 182.2 secs Computing kpt #: 169 total cpu time spent up to now is 183.1 secs Computing kpt #: 170 total cpu time spent up to now is 184.0 secs Computing kpt #: 171 total cpu time spent up to now is 184.9 secs Computing kpt #: 172 total cpu time spent up to now is 185.8 secs Computing kpt #: 173 total cpu time spent up to now is 186.7 secs Computing kpt #: 174 total cpu time spent up to now is 187.6 secs Computing kpt #: 175 total cpu time spent up to now is 188.5 secs Computing kpt #: 176 total cpu time spent up to now is 189.4 secs Computing kpt #: 177 total cpu time spent up to now is 190.3 secs Computing kpt #: 178 total cpu time spent up to now is 191.3 secs Computing kpt #: 179 total cpu time spent up to now is 192.2 secs Computing kpt #: 180 total cpu time spent up to now is 193.3 secs Computing kpt #: 181 total cpu time spent up to now is 194.4 secs Computing kpt #: 182 total cpu time spent up to now is 195.6 secs Computing kpt #: 183 total cpu time spent up to now is 196.7 secs Computing kpt #: 184 total cpu time spent up to now is 197.8 secs Computing kpt #: 185 total cpu time spent up to now is 198.9 secs Computing kpt #: 186 total cpu time spent up to now is 200.1 secs Computing kpt #: 187 total cpu time spent up to now is 201.2 secs Computing kpt #: 188 total cpu time spent up to now is 202.3 secs Computing kpt #: 189 total cpu time spent up to now is 203.4 secs Computing kpt #: 190 total cpu time spent up to now is 204.5 secs Computing kpt #: 191 total cpu time spent up to now is 205.6 secs Computing kpt #: 192 total cpu time spent up to now is 206.7 secs Computing kpt #: 193 total cpu time spent up to now is 207.8 secs Computing kpt #: 194 total cpu time spent up to now is 208.9 secs Computing kpt #: 195 total cpu time spent up to now is 210.0 secs Computing kpt #: 196 total cpu time spent up to now is 211.0 secs Computing kpt #: 197 total cpu time spent up to now is 212.1 secs Computing kpt #: 198 total cpu time spent up to now is 213.2 secs Computing kpt #: 199 total cpu time spent up to now is 214.3 secs Computing kpt #: 200 total cpu time spent up to now is 215.5 secs Computing kpt #: 201 total cpu time spent up to now is 216.6 secs Computing kpt #: 202 total cpu time spent up to now is 218.1 secs Computing kpt #: 203 total cpu time spent up to now is 219.9 secs Computing kpt #: 204 total cpu time spent up to now is 222.1 secs Computing kpt #: 205 total cpu time spent up to now is 224.2 secs Computing kpt #: 206 total cpu time spent up to now is 226.2 secs Computing kpt #: 207 total cpu time spent up to now is 227.7 secs ethr = 1.79E-08, avg # of iterations = 25.3 total cpu time spent up to now is 227.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -6.1290 -6.1290 -3.4589 -3.4589 -3.4589 -3.4589 -3.4556 -3.4556 -1.9805 -1.9805 -1.9805 -1.9805 -1.9781 -1.9781 -0.5875 -0.5875 0.6443 0.6443 0.6886 0.6886 0.6886 0.6886 2.8654 2.8654 2.9244 2.9244 2.9244 2.9244 3.4837 3.4837 3.4837 3.4837 3.9524 3.9524 4.4656 4.4656 4.5068 4.5068 4.5068 4.5068 5.6871 5.6871 5.7471 5.7471 5.7471 5.7471 7.9001 7.9001 7.9297 7.9297 7.9297 7.9297 9.1085 9.1085 9.1085 9.1085 9.6007 9.6007 10.1427 10.1427 11.5545 11.5545 11.5719 11.5719 11.5719 11.5719 12.7166 12.7166 k = 0.0000 0.0185-0.0000 ( 7152 PWs) bands (ev): -6.1278 -6.1278 -3.4648 -3.4648 -3.4581 -3.4581 -3.4557 -3.4557 -1.9801 -1.9801 -1.9787 -1.9787 -1.9744 -1.9744 -0.5917 -0.5917 0.6440 0.6440 0.6865 0.6865 0.6902 0.6902 2.8657 2.8657 2.9222 2.9222 2.9275 2.9275 3.4779 3.4779 3.4891 3.4891 3.9460 3.9460 4.4719 4.4719 4.5109 4.5109 4.5152 4.5152 5.6868 5.6868 5.7427 5.7427 5.7522 5.7522 7.9011 7.9011 7.9290 7.9290 7.9346 7.9346 9.0906 9.0906 9.1088 9.1088 9.5931 9.5931 10.1497 10.1497 11.5573 11.5573 11.5709 11.5709 11.5952 11.5952 12.7051 12.7051 k = 0.0000 0.0370-0.0000 ( 7160 PWs) bands (ev): -6.1240 -6.1240 -3.4845 -3.4845 -3.4560 -3.4560 -3.4537 -3.4537 -1.9795 -1.9795 -1.9764 -1.9764 -1.9602 -1.9602 -0.6040 -0.6040 0.6412 0.6412 0.6813 0.6813 0.6958 0.6958 2.8643 2.8643 2.9168 2.9168 2.9378 2.9378 3.4615 3.4615 3.5055 3.5055 3.9273 3.9273 4.4866 4.4866 4.5271 4.5271 4.5400 4.5400 5.6808 5.6808 5.7303 5.7303 5.7719 5.7719 7.8951 7.8951 7.9355 7.9355 7.9496 7.9496 9.0365 9.0365 9.1097 9.1097 9.5746 9.5746 10.1703 10.1703 11.5533 11.5533 11.5698 11.5698 11.6717 11.6717 12.6686 12.6686 k = 0.0000 0.0556-0.0000 ( 7168 PWs) bands (ev): -6.1178 -6.1178 -3.5165 -3.5165 -3.4524 -3.4524 -3.4500 -3.4500 -1.9787 -1.9787 -1.9727 -1.9727 -1.9373 -1.9373 -0.6242 -0.6242 0.6317 0.6317 0.6758 0.6758 0.7069 0.7069 2.8571 2.8571 2.9106 2.9106 2.9573 2.9573 3.4364 3.4364 3.5326 3.5326 3.8979 3.8979 4.5012 4.5012 4.5622 4.5622 4.5799 4.5799 5.6631 5.6631 5.7119 5.7119 5.8096 5.8096 7.8752 7.8752 7.9552 7.9552 7.9750 7.9750 8.9467 8.9467 9.1111 9.1111 9.5532 9.5532 10.2038 10.2038 11.5410 11.5410 11.5705 11.5705 11.7911 11.7911 12.6048 12.6048 k = 0.0000 0.0741-0.0000 ( 7184 PWs) bands (ev): -6.1091 -6.1091 -3.5593 -3.5593 -3.4475 -3.4475 -3.4449 -3.4449 -1.9779 -1.9779 -1.9674 -1.9674 -1.9074 -1.9074 -0.6517 -0.6517 0.6135 0.6135 0.6715 0.6715 0.7245 0.7245 2.8421 2.8421 2.9054 2.9054 2.9860 2.9860 3.4049 3.4049 3.5702 3.5702 3.8599 3.8599 4.5154 4.5154 4.6149 4.6149 4.6328 4.6328 5.6333 5.6333 5.6900 5.6900 5.8628 5.8628 7.8455 7.8455 7.9827 7.9827 8.0108 8.0108 8.8257 8.8257 9.1131 9.1131 9.5348 9.5348 10.2491 10.2491 11.5198 11.5198 11.5726 11.5726 11.9421 11.9421 12.5180 12.5180 k = 0.0000 0.0926-0.0000 ( 7200 PWs) bands (ev): -6.0978 -6.0978 -3.6113 -3.6113 -3.4414 -3.4414 -3.4382 -3.4382 -1.9768 -1.9768 -1.9605 -1.9605 -1.8722 -1.8722 -0.6858 -0.6858 0.5883 0.5883 0.6673 0.6673 0.7486 0.7486 2.8216 2.8216 2.9005 2.9005 3.0226 3.0226 3.3696 3.3696 3.6180 3.6180 3.8159 3.8159 4.5317 4.5317 4.6805 4.6805 4.6968 4.6968 5.5928 5.5928 5.6660 5.6660 5.9279 5.9279 7.8088 7.8088 8.0153 8.0153 8.0554 8.0554 8.6813 8.6813 9.1155 9.1155 9.5211 9.5211 10.3045 10.3045 11.4876 11.4876 11.5755 11.5755 12.1146 12.1146 12.4195 12.4195 k = 0.0000 0.1111-0.0000 ( 7216 PWs) bands (ev): -6.0841 -6.0841 -3.6707 -3.6707 -3.4340 -3.4340 -3.4301 -3.4301 -1.9756 -1.9756 -1.9522 -1.9522 -1.8336 -1.8336 -0.7258 -0.7258 0.5580 0.5580 0.6620 0.6620 0.7787 0.7787 2.7983 2.7983 2.8945 2.8945 3.0649 3.0649 3.3327 3.3327 3.6751 3.6751 3.7690 3.7690 4.5514 4.5514 4.7549 4.7549 4.7712 4.7712 5.5438 5.5438 5.6406 5.6406 6.0014 6.0014 7.7669 7.7669 8.0508 8.0508 8.1064 8.1064 8.5225 8.5225 9.1182 9.1182 9.5116 9.5116 10.3684 10.3684 11.4420 11.4420 11.5788 11.5788 12.2756 12.2756 12.2948 12.2948 k = 0.0000 0.1296-0.0000 ( 7232 PWs) bands (ev): -6.0679 -6.0679 -3.7362 -3.7362 -3.4254 -3.4254 -3.4206 -3.4206 -1.9742 -1.9742 -1.9424 -1.9424 -1.7931 -1.7931 -0.7708 -0.7708 0.5242 0.5242 0.6550 0.6550 0.8145 0.8145 2.7748 2.7748 2.8859 2.8859 3.1112 3.1112 3.2958 3.2958 3.7150 3.7150 3.7481 3.7481 4.5752 4.5752 4.8333 4.8333 4.8564 4.8564 5.4880 5.4880 5.6146 5.6146 6.0800 6.0800 7.7212 7.7212 8.0865 8.0865 8.1573 8.1573 8.3621 8.3621 9.1211 9.1211 9.5053 9.5053 10.4388 10.4388 11.3811 11.3811 11.5821 11.5821 12.1106 12.1106 12.2484 12.2484 k = 0.0000 0.1481-0.0000 ( 7224 PWs) bands (ev): -6.0492 -6.0492 -3.8064 -3.8064 -3.4157 -3.4157 -3.4099 -3.4099 -1.9727 -1.9727 -1.9313 -1.9313 -1.7523 -1.7523 -0.8201 -0.8201 0.4882 0.4882 0.6458 0.6458 0.8554 0.8554 2.7531 2.7531 2.8734 2.8734 3.1594 3.1594 3.2603 3.2603 3.6724 3.6724 3.8207 3.8207 4.6037 4.6037 4.9135 4.9135 4.9513 4.9513 5.4271 5.4271 5.5887 5.5887 6.1601 6.1601 7.6732 7.6732 8.1030 8.1030 8.1566 8.1566 8.2733 8.2733 9.1238 9.1238 9.5013 9.5013 10.5132 10.5132 11.3054 11.3054 11.5850 11.5850 11.9417 11.9417 12.1859 12.1859 k = 0.0000 0.1667-0.0000 ( 7224 PWs) bands (ev): -6.0281 -6.0281 -3.8803 -3.8803 -3.4050 -3.4050 -3.3979 -3.3979 -1.9711 -1.9711 -1.9187 -1.9187 -1.7122 -1.7122 -0.8729 -0.8729 0.4511 0.4511 0.6342 0.6342 0.9011 0.9011 2.7349 2.7349 2.8559 2.8559 3.2075 3.2075 3.2274 3.2274 3.6309 3.6309 3.9048 3.9048 4.6376 4.6376 4.9944 4.9944 5.0538 5.0538 5.3624 5.3624 5.5642 5.5642 6.2372 6.2372 7.6242 7.6242 7.9774 7.9774 8.1668 8.1668 8.3188 8.3188 9.1260 9.1260 9.4992 9.4992 10.5884 10.5884 11.2179 11.2179 11.5869 11.5869 11.7754 11.7754 12.1406 12.1406 k = 0.0000 0.1852-0.0000 ( 7216 PWs) bands (ev): -6.0045 -6.0045 -3.9568 -3.9568 -3.3933 -3.3933 -3.3849 -3.3849 -1.9694 -1.9694 -1.9049 -1.9049 -1.6739 -1.6739 -0.9284 -0.9284 0.4138 0.4138 0.6201 0.6201 0.9510 0.9510 2.7217 2.7217 2.8322 2.8322 3.1973 3.1973 3.2542 3.2542 3.5957 3.5957 3.9970 3.9970 4.6772 4.6772 5.0743 5.0743 5.1615 5.1615 5.2962 5.2962 5.5420 5.5420 6.3054 6.3054 7.5754 7.5754 7.8208 7.8208 8.1931 8.1931 8.3851 8.3851 9.1275 9.1275 9.4988 9.4988 10.6590 10.6590 11.1240 11.1240 11.5869 11.5869 11.6184 11.6184 12.1104 12.1104 k = 0.0000 0.2037-0.0000 ( 7220 PWs) bands (ev): -5.9784 -5.9784 -4.0352 -4.0352 -3.3807 -3.3807 -3.3709 -3.3709 -1.9675 -1.9675 -1.8898 -1.8898 -1.6383 -1.6383 -0.9860 -0.9860 0.3772 0.3772 0.6035 0.6035 1.0046 1.0046 2.7148 2.7148 2.8015 2.8015 3.1710 3.1710 3.2972 3.2972 3.5685 3.5685 4.0965 4.0965 4.7228 4.7228 5.1497 5.1497 5.2202 5.2202 5.2849 5.2849 5.5234 5.5234 6.3563 6.3563 7.5279 7.5279 7.6778 7.6778 8.2125 8.2125 8.4554 8.4554 9.1279 9.1279 9.4999 9.4999 10.7158 10.7158 11.0295 11.0295 11.4803 11.4803 11.5849 11.5849 12.0910 12.0910 k = 0.0000 0.2222-0.0000 ( 7228 PWs) bands (ev): -5.9499 -5.9499 -4.1149 -4.1149 -3.3673 -3.3673 -3.3561 -3.3561 -1.9655 -1.9655 -1.8735 -1.8735 -1.6059 -1.6059 -1.0451 -1.0451 0.3418 0.3418 0.5845 0.5845 1.0610 1.0610 2.7156 2.7156 2.7637 2.7637 3.1487 3.1487 3.3354 3.3354 3.5500 3.5500 4.2028 4.2028 4.7745 4.7745 5.1449 5.1449 5.2323 5.2323 5.3995 5.3995 5.5099 5.5099 6.3785 6.3785 7.4822 7.4822 7.5626 7.5626 8.2210 8.2210 8.5266 8.5266 9.1266 9.1266 9.5028 9.5028 10.7415 10.7415 10.9400 10.9400 11.3798 11.3798 11.5786 11.5786 12.0767 12.0767 k = 0.0000 0.2407-0.0000 ( 7224 PWs) bands (ev): -5.9190 -5.9190 -4.1954 -4.1954 -3.3532 -3.3532 -3.3407 -3.3407 -1.9632 -1.9632 -1.8562 -1.8562 -1.5771 -1.5771 -1.1050 -1.1050 0.3084 0.3084 0.5632 0.5632 1.1194 1.1194 2.7187 2.7187 2.7256 2.7256 3.1306 3.1306 3.3676 3.3676 3.5406 3.5406 4.3151 4.3151 4.8315 4.8315 5.0760 5.0760 5.2984 5.2984 5.5016 5.5016 5.5235 5.5235 6.3602 6.3602 7.4391 7.4391 7.4876 7.4876 8.2158 8.2158 8.5974 8.5974 9.1235 9.1235 9.5079 9.5079 10.7159 10.7159 10.8594 10.8594 11.3377 11.3377 11.5668 11.5668 12.0582 12.0582 k = 0.0000 0.2593-0.0000 ( 7228 PWs) bands (ev): -5.8856 -5.8856 -4.2762 -4.2762 -3.3386 -3.3386 -3.3248 -3.3248 -1.9607 -1.9607 -1.8378 -1.8378 -1.5523 -1.5523 -1.1652 -1.1652 0.2775 0.2775 0.5398 0.5398 1.1791 1.1791 2.6687 2.6687 2.7446 2.7446 3.1167 3.1167 3.3931 3.3931 3.5396 3.5396 4.4328 4.4328 4.8902 4.8902 5.0083 5.0083 5.3574 5.3574 5.5049 5.5049 5.6486 5.6486 6.2953 6.2953 7.4010 7.4010 7.4561 7.4561 8.1946 8.1946 8.6668 8.6668 9.1185 9.1185 9.5157 9.5157 10.6383 10.6383 10.7906 10.7906 11.3555 11.3555 11.5473 11.5473 12.0230 12.0230 k = 0.0000 0.2778-0.0000 ( 7244 PWs) bands (ev): -5.8498 -5.8498 -4.3569 -4.3569 -3.3237 -3.3237 -3.3088 -3.3088 -1.9577 -1.9577 -1.8185 -1.8185 -1.5316 -1.5316 -1.2252 -1.2252 0.2495 0.2495 0.5146 0.5146 1.2391 1.2391 2.6136 2.6136 2.7746 2.7746 3.1072 3.1072 3.4116 3.4116 3.5463 3.5463 4.5552 4.5552 4.9089 4.9089 4.9843 4.9843 5.4050 5.4050 5.5195 5.5195 5.7772 5.7772 6.1885 6.1885 7.3681 7.3681 7.4624 7.4624 8.1561 8.1561 8.7338 8.7338 9.1117 9.1117 9.5267 9.5267 10.5303 10.5303 10.7348 10.7348 11.4120 11.4120 11.5178 11.5178 11.9710 11.9710 k = 0.0000 0.2963-0.0000 ( 7264 PWs) bands (ev): -5.8117 -5.8117 -4.4372 -4.4372 -3.3085 -3.3085 -3.2927 -3.2927 -1.9541 -1.9541 -1.7983 -1.7983 -1.5151 -1.5151 -1.2846 -1.2846 0.2248 0.2248 0.4879 0.4879 1.2988 1.2988 2.5550 2.5550 2.8160 2.8160 3.1020 3.1020 3.4229 3.4229 3.5596 3.5596 4.6810 4.6810 4.8493 4.8493 5.0415 5.0415 5.4417 5.4417 5.5460 5.5460 5.9072 5.9072 6.0523 6.0523 7.3387 7.3387 7.4946 7.4946 8.0999 8.0999 8.7976 8.7976 9.1039 9.1039 9.5416 9.5416 10.4121 10.4121 10.6911 10.6911 11.4711 11.4711 11.4921 11.4921 11.9129 11.9129 k = 0.0000 0.3148-0.0000 ( 7264 PWs) bands (ev): -5.7712 -5.7712 -4.5169 -4.5169 -3.2934 -3.2934 -3.2769 -3.2769 -1.9498 -1.9498 -1.7775 -1.7775 -1.5028 -1.5028 -1.3431 -1.3431 0.2036 0.2036 0.4601 0.4601 1.3574 1.3574 2.4940 2.4940 2.8690 2.8690 3.1011 3.1011 3.4276 3.4276 3.5786 3.5786 4.7694 4.7694 4.8217 4.8217 5.1069 5.1069 5.4739 5.4739 5.5791 5.5791 5.8926 5.8926 6.0432 6.0432 7.3125 7.3125 7.5391 7.5391 8.0269 8.0269 8.8577 8.8577 9.0962 9.0962 9.5611 9.5611 10.2958 10.2958 10.6563 10.6563 11.4162 11.4162 11.5733 11.5733 11.8553 11.8553 k = 0.0000 0.3333-0.0000 ( 7256 PWs) bands (ev): -5.7283 -5.7283 -4.5957 -4.5957 -3.2784 -3.2784 -3.2616 -3.2616 -1.9444 -1.9444 -1.7560 -1.7560 -1.4945 -1.4945 -1.4001 -1.4001 0.1861 0.1861 0.4315 0.4315 1.4147 1.4147 2.4315 2.4315 2.9334 2.9334 3.1044 3.1044 3.4260 3.4260 3.6022 3.6022 4.7064 4.7064 4.9480 4.9480 5.1690 5.1690 5.5075 5.5075 5.6143 5.6143 5.7268 5.7268 6.1758 6.1758 7.2887 7.2887 7.5848 7.5848 7.9389 7.9389 8.9132 8.9132 9.0901 9.0901 9.5862 9.5862 10.1881 10.1881 10.6254 10.6254 11.3421 11.3421 11.6586 11.6586 11.8013 11.8013 k = 0.0000 0.3519-0.0000 ( 7268 PWs) bands (ev): -5.6831 -5.6831 -4.6734 -4.6734 -3.2639 -3.2639 -3.2471 -3.2471 -1.9377 -1.9377 -1.7342 -1.7342 -1.4902 -1.4902 -1.4552 -1.4552 0.1726 0.1726 0.4026 0.4026 1.4704 1.4704 2.3684 2.3684 3.0081 3.0081 3.1127 3.1127 3.4188 3.4188 3.6298 3.6298 4.6391 4.6391 5.0811 5.0811 5.2241 5.2241 5.5394 5.5394 5.5563 5.5563 5.6548 5.6548 6.3096 6.3096 7.2658 7.2658 7.6233 7.6233 7.8387 7.8387 8.9637 8.9637 9.0874 9.0874 9.6178 9.6178 10.0938 10.0938 10.5921 10.5921 11.2519 11.2519 11.7271 11.7271 11.7655 11.7655 k = 0.0000 0.3704-0.0000 ( 7256 PWs) bands (ev): -5.6356 -5.6356 -4.7500 -4.7500 -3.2499 -3.2499 -3.2337 -3.2337 -1.9294 -1.9294 -1.7120 -1.7120 -1.5087 -1.5087 -1.4891 -1.4891 0.1631 0.1631 0.3736 0.3736 1.5245 1.5245 2.3053 2.3053 3.0848 3.0848 3.1331 3.1331 3.4070 3.4070 3.6603 3.6603 4.5736 4.5736 5.2094 5.2094 5.2715 5.2715 5.3866 5.3866 5.5680 5.5680 5.7048 5.7048 6.4432 6.4432 7.2424 7.2424 7.6482 7.6482 7.7295 7.7295 9.0087 9.0087 9.0896 9.0896 9.6574 9.6574 10.0162 10.0162 10.5506 10.5506 11.1473 11.1473 11.6991 11.6991 11.7817 11.7817 k = 0.0000 0.3889-0.0000 ( 7260 PWs) bands (ev): -5.5858 -5.5858 -4.8251 -4.8251 -3.2369 -3.2369 -3.2217 -3.2217 -1.9191 -1.9191 -1.6897 -1.6897 -1.5593 -1.5593 -1.4919 -1.4919 0.1575 0.1575 0.3450 0.3450 1.5775 1.5775 2.2427 2.2427 3.1228 3.1228 3.2048 3.2048 3.3912 3.3912 3.6929 3.6929 4.5112 4.5112 5.1899 5.1899 5.3097 5.3097 5.3698 5.3698 5.5815 5.5815 5.7672 5.7672 6.5758 6.5758 7.2170 7.2170 7.6142 7.6142 7.6561 7.6561 9.0478 9.0478 9.0972 9.0972 9.7064 9.7064 9.9579 9.9579 10.4967 10.4967 11.0310 11.0310 11.6676 11.6676 11.7551 11.7551 k = 0.0000 0.4074-0.0000 ( 7256 PWs) bands (ev): -5.5338 -5.5338 -4.8988 -4.8988 -3.2250 -3.2250 -3.2113 -3.2113 -1.9066 -1.9066 -1.6675 -1.6675 -1.6073 -1.6073 -1.4978 -1.4978 0.1559 0.1559 0.3172 0.3172 1.6295 1.6295 2.1809 2.1809 3.1420 3.1420 3.3055 3.3055 3.3727 3.3727 3.7263 3.7263 4.4531 4.4531 5.0260 5.0260 5.3464 5.3464 5.4952 5.4952 5.5835 5.5835 5.8362 5.8362 6.7064 6.7064 7.1892 7.1892 7.4984 7.4984 7.6431 7.6431 9.0807 9.0807 9.1095 9.1095 9.7661 9.7661 9.9207 9.9207 10.4300 10.4300 10.9060 10.9060 11.6477 11.6477 11.7481 11.7481 k = 0.0000 0.4259-0.0000 ( 7260 PWs) bands (ev): -5.4795 -5.4795 -4.9708 -4.9708 -3.2145 -3.2145 -3.2028 -3.2028 -1.8915 -1.8915 -1.6524 -1.6524 -1.6455 -1.6455 -1.5065 -1.5065 0.1581 0.1581 0.2905 0.2905 1.6811 1.6811 2.1202 2.1202 3.1612 3.1612 3.3492 3.3492 3.4167 3.4167 3.7588 3.7588 4.4014 4.4014 4.8625 4.8625 5.3795 5.3795 5.5764 5.5764 5.6219 5.6219 5.9034 5.9034 6.8338 6.8338 7.1599 7.1599 7.3859 7.3859 7.6100 7.6100 9.1073 9.1073 9.1246 9.1246 9.8368 9.8368 9.9065 9.9065 10.3532 10.3532 10.7753 10.7753 11.6369 11.6369 11.7470 11.7470 k = 0.0000 0.4444-0.0000 ( 7260 PWs) bands (ev): -5.4231 -5.4231 -5.0411 -5.0411 -3.2056 -3.2056 -3.1964 -3.1964 -1.8734 -1.8734 -1.6944 -1.6944 -1.6239 -1.6239 -1.5178 -1.5178 0.1641 0.1641 0.2653 0.2653 1.7327 1.7327 2.0609 2.0609 3.1819 3.1819 3.3265 3.3265 3.5270 3.5270 3.7876 3.7876 4.3593 4.3593 4.7076 4.7076 5.4107 5.4107 5.5629 5.5629 5.7407 5.7407 5.9606 5.9606 6.9551 6.9551 7.1329 7.1329 7.2830 7.2830 7.5578 7.5578 9.1281 9.1281 9.1396 9.1396 9.9006 9.9006 9.9332 9.9332 10.2708 10.2708 10.6418 10.6418 11.6331 11.6331 11.7286 11.7286 k = 0.0000 0.4630-0.0000 ( 7244 PWs) bands (ev): -5.3645 -5.3645 -5.1097 -5.1097 -3.1986 -3.1986 -3.1922 -3.1922 -1.8522 -1.8522 -1.7329 -1.7329 -1.6031 -1.6031 -1.5314 -1.5314 0.1735 0.1735 0.2420 0.2420 1.7847 1.7847 2.0029 2.0029 3.2042 3.2042 3.3022 3.3022 3.6328 3.6328 3.8076 3.8076 4.3329 4.3329 4.5672 4.5672 5.4407 5.4407 5.5443 5.5443 5.8460 5.8460 5.9988 5.9988 7.0550 7.0550 7.1252 7.1252 7.1987 7.1987 7.4887 7.4887 9.1436 9.1436 9.1513 9.1513 9.9323 9.9323 10.0245 10.0245 10.1878 10.1878 10.5084 10.5084 11.6356 11.6356 11.7030 11.7030 k = 0.0000 0.4815-0.0000 ( 7244 PWs) bands (ev): -5.3038 -5.3038 -5.1763 -5.1763 -3.1936 -3.1936 -3.1904 -3.1904 -1.8277 -1.8277 -1.7681 -1.7681 -1.5831 -1.5831 -1.5471 -1.5471 0.1863 0.1863 0.2208 0.2208 1.8375 1.8375 1.9464 1.9464 3.2278 3.2278 3.2773 3.2773 3.7230 3.7230 3.8103 3.8103 4.3322 4.3322 4.4506 4.4506 5.4694 5.4694 5.5218 5.5218 5.9306 5.9306 6.0096 6.0096 7.0783 7.0783 7.1249 7.1249 7.2129 7.2129 7.4055 7.4055 9.1540 9.1540 9.1579 9.1579 9.9768 9.9768 10.1040 10.1040 10.1370 10.1370 10.3776 10.3776 11.6444 11.6444 11.6789 11.6789 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -5.2411 -5.2411 -5.2411 -5.2411 -3.1908 -3.1908 -3.1908 -3.1908 -1.7997 -1.7997 -1.7997 -1.7997 -1.5644 -1.5644 -1.5644 -1.5644 0.2022 0.2022 0.2022 0.2022 1.8913 1.8913 1.8913 1.8913 3.2523 3.2523 3.2523 3.2523 3.7843 3.7843 3.7843 3.7843 4.3697 4.3697 4.3697 4.3697 5.4966 5.4966 5.4966 5.4966 5.9869 5.9869 5.9869 5.9869 7.0908 7.0908 7.0908 7.0908 7.3114 7.3114 7.3114 7.3114 9.1589 9.1589 9.1589 9.1589 10.0360 10.0360 10.0360 10.0360 10.2520 10.2520 10.2520 10.2520 11.6591 11.6591 11.6591 11.6591 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -5.2411 -5.2411 -5.2411 -5.2411 -3.1908 -3.1908 -3.1908 -3.1908 -1.7997 -1.7997 -1.7997 -1.7997 -1.5644 -1.5644 -1.5644 -1.5644 0.2022 0.2022 0.2022 0.2022 1.8913 1.8913 1.8913 1.8913 3.2523 3.2523 3.2523 3.2523 3.7843 3.7843 3.7843 3.7843 4.3697 4.3697 4.3697 4.3697 5.4966 5.4966 5.4966 5.4966 5.9869 5.9869 5.9869 5.9869 7.0908 7.0908 7.0908 7.0908 7.3114 7.3114 7.3114 7.3114 9.1589 9.1589 9.1589 9.1589 10.0360 10.0360 10.0360 10.0360 10.2520 10.2520 10.2520 10.2520 11.6591 11.6591 11.6591 11.6591 k = 0.0185 0.5000-0.0000 ( 7246 PWs) bands (ev): -5.2399 -5.2399 -5.2399 -5.2399 -3.1930 -3.1930 -3.1930 -3.1930 -1.8022 -1.8022 -1.8022 -1.8022 -1.5645 -1.5645 -1.5645 -1.5645 0.2084 0.2084 0.2084 0.2084 1.8867 1.8867 1.8867 1.8867 3.2490 3.2490 3.2490 3.2490 3.7889 3.7889 3.7889 3.7889 4.3737 4.3737 4.3737 4.3737 5.5026 5.5026 5.5026 5.5026 5.9869 5.9869 5.9869 5.9869 7.0884 7.0884 7.0884 7.0884 7.3105 7.3105 7.3105 7.3105 9.1407 9.1407 9.1407 9.1407 10.0403 10.0403 10.0403 10.0403 10.2628 10.2628 10.2628 10.2628 11.6460 11.6460 11.6460 11.6460 k = 0.0370 0.5000-0.0000 ( 7246 PWs) bands (ev): -5.2363 -5.2363 -5.2363 -5.2363 -3.1996 -3.1996 -3.1996 -3.1996 -1.8095 -1.8095 -1.8095 -1.8095 -1.5649 -1.5649 -1.5649 -1.5649 0.2269 0.2269 0.2269 0.2269 1.8733 1.8733 1.8733 1.8733 3.2393 3.2393 3.2393 3.2393 3.8022 3.8022 3.8022 3.8022 4.3857 4.3857 4.3857 4.3857 5.5202 5.5202 5.5202 5.5202 5.9869 5.9869 5.9869 5.9869 7.0811 7.0811 7.0811 7.0811 7.3081 7.3081 7.3081 7.3081 9.0889 9.0889 9.0889 9.0889 10.0529 10.0529 10.0529 10.0529 10.2924 10.2924 10.2924 10.2924 11.6102 11.6102 11.6102 11.6102 k = 0.0556 0.5000-0.0000 ( 7266 PWs) bands (ev): -5.2303 -5.2303 -5.2303 -5.2303 -3.2106 -3.2106 -3.2106 -3.2106 -1.8211 -1.8211 -1.8211 -1.8211 -1.5655 -1.5655 -1.5655 -1.5655 0.2570 0.2570 0.2570 0.2570 1.8517 1.8517 1.8517 1.8517 3.2239 3.2239 3.2239 3.2239 3.8231 3.8231 3.8231 3.8231 4.4063 4.4063 4.4063 4.4063 5.5484 5.5484 5.5484 5.5484 5.9874 5.9874 5.9874 5.9874 7.0693 7.0693 7.0693 7.0693 7.3038 7.3038 7.3038 7.3038 9.0097 9.0097 9.0097 9.0097 10.0732 10.0732 10.0732 10.0732 10.3338 10.3338 10.3338 10.3338 11.5594 11.5594 11.5594 11.5594 k = 0.0741 0.5000-0.0000 ( 7258 PWs) bands (ev): -5.2220 -5.2220 -5.2220 -5.2220 -3.2261 -3.2261 -3.2261 -3.2261 -1.8360 -1.8360 -1.8360 -1.8360 -1.5664 -1.5664 -1.5664 -1.5664 0.2976 0.2976 0.2976 0.2976 1.8228 1.8228 1.8228 1.8228 3.2037 3.2037 3.2037 3.2037 3.8503 3.8503 3.8503 3.8503 4.4357 4.4357 4.4357 4.4357 5.5854 5.5854 5.5854 5.5854 5.9891 5.9891 5.9891 5.9891 7.0536 7.0536 7.0536 7.0536 7.2973 7.2973 7.2973 7.2973 8.9100 8.9100 8.9100 8.9100 10.1002 10.1002 10.1002 10.1002 10.3788 10.3788 10.3788 10.3788 11.5029 11.5029 11.5029 11.5029 k = 0.0926 0.5000-0.0000 ( 7264 PWs) bands (ev): -5.2112 -5.2112 -5.2112 -5.2112 -3.2461 -3.2461 -3.2461 -3.2461 -1.8532 -1.8532 -1.8532 -1.8532 -1.5676 -1.5676 -1.5676 -1.5676 0.3474 0.3474 0.3474 0.3474 1.7880 1.7880 1.7880 1.7880 3.1800 3.1800 3.1800 3.1800 3.8818 3.8818 3.8818 3.8818 4.4745 4.4745 4.4745 4.4745 5.6284 5.6284 5.6284 5.6284 5.9937 5.9937 5.9937 5.9937 7.0345 7.0345 7.0345 7.0345 7.2881 7.2881 7.2881 7.2881 8.7960 8.7960 8.7960 8.7960 10.1328 10.1328 10.1328 10.1328 10.4195 10.4195 10.4195 10.4195 11.4492 11.4492 11.4492 11.4492 k = 0.1111 0.5000-0.0000 ( 7262 PWs) bands (ev): -5.1981 -5.1981 -5.1981 -5.1981 -3.2707 -3.2707 -3.2707 -3.2707 -1.8715 -1.8715 -1.8715 -1.8715 -1.5693 -1.5693 -1.5693 -1.5693 0.4049 0.4049 0.4049 0.4049 1.7484 1.7484 1.7484 1.7484 3.1542 3.1542 3.1542 3.1542 3.9158 3.9158 3.9158 3.9158 4.5231 4.5231 4.5231 4.5231 5.6731 5.6731 5.6731 5.6731 6.0041 6.0041 6.0041 6.0041 7.0128 7.0128 7.0128 7.0128 7.2755 7.2755 7.2755 7.2755 8.6729 8.6729 8.6729 8.6729 10.1693 10.1693 10.1693 10.1693 10.4490 10.4490 10.4490 10.4490 11.4056 11.4056 11.4056 11.4056 k = 0.1296 0.5000-0.0000 ( 7262 PWs) bands (ev): -5.1826 -5.1826 -5.1826 -5.1826 -3.2999 -3.2999 -3.2999 -3.2999 -1.8899 -1.8899 -1.8899 -1.8899 -1.5713 -1.5713 -1.5713 -1.5713 0.4685 0.4685 0.4685 0.4685 1.7054 1.7054 1.7054 1.7054 3.1280 3.1280 3.1280 3.1280 3.9509 3.9509 3.9509 3.9509 4.5816 4.5816 4.5816 4.5816 5.7133 5.7133 5.7133 5.7133 6.0251 6.0251 6.0251 6.0251 6.9893 6.9893 6.9893 6.9893 7.2582 7.2582 7.2582 7.2582 8.5446 8.5446 8.5446 8.5446 10.2077 10.2077 10.2077 10.2077 10.4620 10.4620 10.4620 10.4620 11.3775 11.3775 11.3775 11.3775 k = 0.1481 0.5000-0.0000 ( 7264 PWs) bands (ev): -5.1648 -5.1648 -5.1648 -5.1648 -3.3336 -3.3336 -3.3336 -3.3336 -1.9073 -1.9073 -1.9073 -1.9073 -1.5739 -1.5739 -1.5739 -1.5739 0.5364 0.5364 0.5364 0.5364 1.6601 1.6601 1.6601 1.6601 3.1029 3.1029 3.1029 3.1029 3.9860 3.9860 3.9860 3.9860 4.6498 4.6498 4.6498 4.6498 5.7421 5.7421 5.7421 5.7421 6.0620 6.0620 6.0620 6.0620 6.9649 6.9649 6.9649 6.9649 7.2348 7.2348 7.2348 7.2348 8.4153 8.4153 8.4153 8.4153 10.2456 10.2456 10.2456 10.2456 10.4561 10.4561 10.4561 10.4561 11.3673 11.3673 11.3673 11.3673 k = 0.1667 0.5000-0.0000 ( 7274 PWs) bands (ev): -5.1447 -5.1447 -5.1447 -5.1447 -3.3718 -3.3718 -3.3718 -3.3718 -1.9230 -1.9230 -1.9230 -1.9230 -1.5771 -1.5771 -1.5771 -1.5771 0.6070 0.6070 0.6070 0.6070 1.6136 1.6136 1.6136 1.6136 3.0805 3.0805 3.0805 3.0805 4.0204 4.0204 4.0204 4.0204 4.7269 4.7269 4.7269 4.7269 5.7559 5.7559 5.7559 5.7559 6.1173 6.1173 6.1173 6.1173 6.9403 6.9403 6.9403 6.9403 7.2030 7.2030 7.2030 7.2030 8.2886 8.2886 8.2886 8.2886 10.2803 10.2803 10.2803 10.2803 10.4325 10.4325 10.4325 10.4325 11.3738 11.3738 11.3738 11.3738 k = 0.1852 0.5000-0.0000 ( 7266 PWs) bands (ev): -5.1222 -5.1222 -5.1222 -5.1222 -3.4141 -3.4141 -3.4141 -3.4141 -1.9364 -1.9364 -1.9364 -1.9364 -1.5809 -1.5809 -1.5809 -1.5809 0.6786 0.6786 0.6786 0.6786 1.5669 1.5669 1.5669 1.5669 3.0626 3.0626 3.0626 3.0626 4.0539 4.0539 4.0539 4.0539 4.8120 4.8120 4.8120 4.8120 5.7557 5.7557 5.7557 5.7557 6.1885 6.1885 6.1885 6.1885 6.9162 6.9162 6.9162 6.9162 7.1604 7.1604 7.1604 7.1604 8.1687 8.1687 8.1687 8.1687 10.3084 10.3084 10.3084 10.3084 10.3952 10.3952 10.3952 10.3952 11.3932 11.3932 11.3932 11.3932 k = 0.2037 0.5000-0.0000 ( 7278 PWs) bands (ev): -5.0974 -5.0974 -5.0974 -5.0974 -3.4603 -3.4603 -3.4603 -3.4603 -1.9470 -1.9470 -1.9470 -1.9470 -1.5855 -1.5855 -1.5855 -1.5855 0.7493 0.7493 0.7493 0.7493 1.5208 1.5208 1.5208 1.5208 3.0507 3.0507 3.0507 3.0507 4.0864 4.0864 4.0864 4.0864 4.9039 4.9039 4.9039 4.9039 5.7446 5.7446 5.7446 5.7446 6.2713 6.2713 6.2713 6.2713 6.8931 6.8931 6.8931 6.8931 7.1042 7.1042 7.1042 7.1042 8.0597 8.0597 8.0597 8.0597 10.3211 10.3211 10.3211 10.3211 10.3551 10.3551 10.3551 10.3551 11.4206 11.4206 11.4206 11.4206 k = 0.2222 0.5000-0.0000 ( 7278 PWs) bands (ev): -5.0703 -5.0703 -5.0703 -5.0703 -3.5100 -3.5100 -3.5100 -3.5100 -1.9546 -1.9546 -1.9546 -1.9546 -1.5909 -1.5909 -1.5909 -1.5909 0.8176 0.8176 0.8176 0.8176 1.4758 1.4758 1.4758 1.4758 3.0467 3.0467 3.0467 3.0467 4.1180 4.1180 4.1180 4.1180 5.0014 5.0014 5.0014 5.0014 5.7255 5.7255 5.7255 5.7255 6.3616 6.3616 6.3616 6.3616 6.8712 6.8712 6.8712 6.8712 7.0323 7.0323 7.0323 7.0323 7.9651 7.9651 7.9651 7.9651 10.2844 10.2844 10.2844 10.2844 10.3479 10.3479 10.3479 10.3479 11.4512 11.4512 11.4512 11.4512 k = 0.2407 0.5000-0.0000 ( 7290 PWs) bands (ev): -5.0409 -5.0409 -5.0409 -5.0409 -3.5629 -3.5629 -3.5629 -3.5629 -1.9591 -1.9591 -1.9591 -1.9591 -1.5972 -1.5972 -1.5972 -1.5972 0.8818 0.8818 0.8818 0.8818 1.4328 1.4328 1.4328 1.4328 3.0519 3.0519 3.0519 3.0519 4.1488 4.1488 4.1488 4.1488 5.1030 5.1030 5.1030 5.1030 5.7004 5.7004 5.7004 5.7004 6.4560 6.4560 6.4560 6.4560 6.8493 6.8493 6.8493 6.8493 6.9458 6.9458 6.9458 6.9458 7.8868 7.8868 7.8868 7.8868 10.2293 10.2293 10.2293 10.2293 10.3448 10.3448 10.3448 10.3448 11.4812 11.4812 11.4812 11.4812 k = 0.2593 0.5000-0.0000 ( 7296 PWs) bands (ev): -5.0093 -5.0093 -5.0093 -5.0093 -3.6184 -3.6184 -3.6184 -3.6184 -1.9606 -1.9606 -1.9606 -1.9606 -1.6045 -1.6045 -1.6045 -1.6045 0.9405 0.9405 0.9405 0.9405 1.3921 1.3921 1.3921 1.3921 3.0677 3.0677 3.0677 3.0677 4.1789 4.1789 4.1789 4.1789 5.2073 5.2073 5.2073 5.2073 5.6706 5.6706 5.6706 5.6706 6.5504 6.5504 6.5504 6.5504 6.8120 6.8120 6.8120 6.8120 6.8633 6.8633 6.8633 6.8633 7.8247 7.8247 7.8247 7.8247 10.1724 10.1724 10.1724 10.1724 10.3314 10.3314 10.3314 10.3314 11.5073 11.5073 11.5073 11.5073 k = 0.2778 0.5000-0.0000 ( 7288 PWs) bands (ev): -4.9754 -4.9754 -4.9754 -4.9754 -3.6763 -3.6763 -3.6763 -3.6763 -1.9591 -1.9591 -1.9591 -1.9591 -1.6128 -1.6128 -1.6128 -1.6128 0.9924 0.9924 0.9924 0.9924 1.3541 1.3541 1.3541 1.3541 3.0952 3.0952 3.0952 3.0952 4.2082 4.2082 4.2082 4.2082 5.3127 5.3127 5.3127 5.3127 5.6372 5.6372 5.6372 5.6372 6.6270 6.6270 6.6270 6.6270 6.7283 6.7283 6.7283 6.7283 6.8352 6.8352 6.8352 6.8352 7.7768 7.7768 7.7768 7.7768 10.1166 10.1166 10.1166 10.1166 10.3074 10.3074 10.3074 10.3074 11.5263 11.5263 11.5263 11.5263 k = 0.2963 0.5000-0.0000 ( 7284 PWs) bands (ev): -4.9394 -4.9394 -4.9394 -4.9394 -3.7359 -3.7359 -3.7359 -3.7359 -1.9548 -1.9548 -1.9548 -1.9548 -1.6222 -1.6222 -1.6222 -1.6222 1.0369 1.0369 1.0369 1.0369 1.3192 1.3192 1.3192 1.3192 3.1352 3.1352 3.1352 3.1352 4.2364 4.2364 4.2364 4.2364 5.4171 5.4171 5.4171 5.4171 5.6011 5.6011 5.6011 5.6011 6.5646 6.5646 6.5646 6.5646 6.7469 6.7469 6.7469 6.7469 6.8367 6.8367 6.8367 6.8367 7.7405 7.7405 7.7405 7.7405 10.0631 10.0631 10.0631 10.0631 10.2739 10.2739 10.2739 10.2739 11.5356 11.5356 11.5356 11.5356 k = 0.3148 0.5000-0.0000 ( 7280 PWs) bands (ev): -4.9012 -4.9012 -4.9012 -4.9012 -3.7969 -3.7969 -3.7969 -3.7969 -1.9479 -1.9479 -1.9479 -1.9479 -1.6328 -1.6328 -1.6328 -1.6328 1.0734 1.0734 1.0734 1.0734 1.2877 1.2877 1.2877 1.2877 3.1877 3.1877 3.1877 3.1877 4.2631 4.2631 4.2631 4.2631 5.5160 5.5160 5.5160 5.5160 5.5650 5.5650 5.5650 5.5650 6.4405 6.4405 6.4405 6.4405 6.7702 6.7702 6.7702 6.7702 6.8918 6.8918 6.8918 6.8918 7.7127 7.7127 7.7127 7.7127 10.0130 10.0130 10.0130 10.0130 10.2327 10.2327 10.2327 10.2327 11.5310 11.5310 11.5310 11.5310 k = 0.3333 0.5000-0.0000 ( 7286 PWs) bands (ev): -4.8609 -4.8609 -4.8609 -4.8609 -3.8589 -3.8589 -3.8589 -3.8589 -1.9387 -1.9387 -1.9387 -1.9387 -1.6444 -1.6444 -1.6444 -1.6444 1.1021 1.1021 1.1021 1.1021 1.2597 1.2597 1.2597 1.2597 3.2525 3.2525 3.2525 3.2525 4.2879 4.2879 4.2879 4.2879 5.5209 5.5209 5.5209 5.5209 5.6130 5.6130 5.6130 5.6130 6.3163 6.3163 6.3163 6.3163 6.7648 6.7648 6.7648 6.7648 6.9778 6.9778 6.9778 6.9778 7.6913 7.6913 7.6913 7.6913 9.9668 9.9668 9.9668 9.9668 10.1855 10.1855 10.1855 10.1855 11.4858 11.4858 11.4858 11.4858 k = 0.3519 0.5000-0.0000 ( 7278 PWs) bands (ev): -4.8186 -4.8186 -4.8186 -4.8186 -3.9216 -3.9216 -3.9216 -3.9216 -1.9274 -1.9274 -1.9274 -1.9274 -1.6572 -1.6572 -1.6572 -1.6572 1.1233 1.1233 1.1233 1.1233 1.2354 1.2354 1.2354 1.2354 3.3288 3.3288 3.3288 3.3288 4.3096 4.3096 4.3096 4.3096 5.4818 5.4818 5.4818 5.4818 5.6854 5.6854 5.6854 5.6854 6.2081 6.2081 6.2081 6.2081 6.7532 6.7532 6.7532 6.7532 7.0668 7.0668 7.0668 7.0668 7.6744 7.6744 7.6744 7.6744 9.9252 9.9252 9.9252 9.9252 10.1344 10.1344 10.1344 10.1344 11.4106 11.4106 11.4106 11.4106 k = 0.3704 0.5000-0.0000 ( 7284 PWs) bands (ev): -4.7742 -4.7742 -4.7742 -4.7742 -3.9846 -3.9846 -3.9846 -3.9846 -1.9142 -1.9142 -1.9142 -1.9142 -1.6711 -1.6711 -1.6711 -1.6711 1.1379 1.1379 1.1379 1.1379 1.2149 1.2149 1.2149 1.2149 3.4153 3.4153 3.4153 3.4153 4.3270 4.3270 4.3270 4.3270 5.4425 5.4425 5.4425 5.4425 5.7166 5.7166 5.7166 5.7166 6.1415 6.1415 6.1415 6.1415 6.7389 6.7389 6.7389 6.7389 7.1526 7.1526 7.1526 7.1526 7.6604 7.6604 7.6604 7.6604 9.8885 9.8885 9.8885 9.8885 10.0811 10.0811 10.0811 10.0811 11.3370 11.3370 11.3370 11.3370 k = 0.3889 0.5000-0.0000 ( 7278 PWs) bands (ev): -4.7278 -4.7278 -4.7278 -4.7278 -4.0475 -4.0475 -4.0475 -4.0475 -1.8995 -1.8995 -1.8995 -1.8995 -1.6861 -1.6861 -1.6861 -1.6861 1.1467 1.1467 1.1467 1.1467 1.1983 1.1983 1.1983 1.1983 3.5103 3.5103 3.5103 3.5103 4.3382 4.3382 4.3382 4.3382 5.4046 5.4046 5.4046 5.4046 5.6843 5.6843 5.6843 5.6843 6.1403 6.1403 6.1403 6.1403 6.7219 6.7219 6.7219 6.7219 7.2327 7.2327 7.2327 7.2327 7.6482 7.6482 7.6482 7.6482 9.8570 9.8570 9.8570 9.8570 10.0277 10.0277 10.0277 10.0277 11.2724 11.2724 11.2724 11.2724 k = 0.4074 0.5000-0.0000 ( 7278 PWs) bands (ev): -4.6795 -4.6795 -4.6795 -4.6795 -4.1102 -4.1102 -4.1102 -4.1102 -1.8835 -1.8835 -1.8835 -1.8835 -1.7020 -1.7020 -1.7020 -1.7020 1.1506 1.1506 1.1506 1.1506 1.1857 1.1857 1.1857 1.1857 3.6121 3.6121 3.6121 3.6121 4.3407 4.3407 4.3407 4.3407 5.3694 5.3694 5.3694 5.3694 5.6074 5.6074 5.6074 5.6074 6.1882 6.1882 6.1882 6.1882 6.7016 6.7016 6.7016 6.7016 7.3058 7.3058 7.3058 7.3058 7.6368 7.6368 7.6368 7.6368 9.8313 9.8313 9.8313 9.8313 9.9762 9.9762 9.9762 9.9762 11.2198 11.2198 11.2198 11.2198 k = 0.4259 0.5000-0.0000 ( 7282 PWs) bands (ev): -4.6293 -4.6293 -4.6293 -4.6293 -4.1723 -4.1723 -4.1723 -4.1723 -1.8664 -1.8664 -1.8664 -1.8664 -1.7188 -1.7188 -1.7188 -1.7188 1.1507 1.1507 1.1507 1.1507 1.1771 1.1771 1.1771 1.1771 3.7182 3.7182 3.7182 3.7182 4.3315 4.3315 4.3315 4.3315 5.3382 5.3382 5.3382 5.3382 5.5188 5.5188 5.5188 5.5188 6.2552 6.2552 6.2552 6.2552 6.6773 6.6773 6.6773 6.6773 7.3707 7.3707 7.3707 7.3707 7.6252 7.6252 7.6252 7.6252 9.8116 9.8116 9.8116 9.8116 9.9285 9.9285 9.9285 9.9285 11.1808 11.1808 11.1808 11.1808 k = 0.4444 0.5000-0.0000 ( 7278 PWs) bands (ev): -4.5773 -4.5773 -4.5773 -4.5773 -4.2337 -4.2337 -4.2337 -4.2337 -1.8484 -1.8484 -1.8484 -1.8484 -1.7364 -1.7364 -1.7364 -1.7364 1.1487 1.1487 1.1487 1.1487 1.1716 1.1716 1.1716 1.1716 3.8259 3.8259 3.8259 3.8259 4.3072 4.3072 4.3072 4.3072 5.3129 5.3129 5.3129 5.3129 5.4370 5.4370 5.4370 5.4370 6.3260 6.3260 6.3260 6.3260 6.6481 6.6481 6.6481 6.6481 7.4267 7.4267 7.4267 7.4267 7.6125 7.6125 7.6125 7.6125 9.7987 9.7987 9.7987 9.7987 9.8864 9.8864 9.8864 9.8864 11.1557 11.1557 11.1557 11.1557 k = 0.4630 0.5000-0.0000 ( 7278 PWs) bands (ev): -4.5237 -4.5237 -4.5237 -4.5237 -4.2942 -4.2942 -4.2942 -4.2942 -1.8299 -1.8299 -1.8299 -1.8299 -1.7546 -1.7546 -1.7546 -1.7546 1.1462 1.1462 1.1462 1.1462 1.1682 1.1682 1.1682 1.1682 3.9322 3.9322 3.9322 3.9322 4.2652 4.2652 4.2652 4.2652 5.2958 5.2958 5.2958 5.2958 5.3709 5.3709 5.3709 5.3709 6.3938 6.3938 6.3938 6.3938 6.6136 6.6136 6.6136 6.6136 7.4734 7.4734 7.4734 7.4734 7.5976 7.5976 7.5976 7.5976 9.7929 9.7929 9.7929 9.7929 9.8513 9.8513 9.8513 9.8513 11.1440 11.1440 11.1440 11.1440 k = 0.4815 0.5000-0.0000 ( 7274 PWs) bands (ev): -4.4685 -4.4685 -4.4685 -4.4685 -4.3536 -4.3536 -4.3536 -4.3536 -1.8111 -1.8111 -1.8111 -1.8111 -1.7732 -1.7732 -1.7732 -1.7732 1.1445 1.1445 1.1445 1.1445 1.1663 1.1663 1.1663 1.1663 4.0329 4.0329 4.0329 4.0329 4.2049 4.2049 4.2049 4.2049 5.2898 5.2898 5.2898 5.2898 5.3246 5.3246 5.3246 5.3246 6.4540 6.4540 6.4540 6.4540 6.5744 6.5744 6.5744 6.5744 7.5097 7.5097 7.5097 7.5097 7.5809 7.5809 7.5809 7.5809 9.7947 9.7947 9.7947 9.7947 9.8243 9.8243 9.8243 9.8243 11.1438 11.1438 11.1438 11.1438 k = 0.5000 0.5000-0.0000 ( 7248 PWs) bands (ev): -4.4120 -4.4120 -4.4120 -4.4120 -4.4114 -4.4114 -4.4114 -4.4114 -1.7930 -1.7930 -1.7930 -1.7930 -1.7912 -1.7912 -1.7912 -1.7912 1.1439 1.1439 1.1439 1.1439 1.1656 1.1656 1.1656 1.1656 4.1126 4.1126 4.1126 4.1126 4.1389 4.1389 4.1389 4.1389 5.2975 5.2975 5.2975 5.2975 5.2991 5.2991 5.2991 5.2991 6.4897 6.4897 6.4897 6.4897 6.5460 6.5460 6.5460 6.5460 7.5275 7.5275 7.5275 7.5275 7.5697 7.5697 7.5697 7.5697 9.8024 9.8024 9.8024 9.8024 9.8081 9.8081 9.8081 9.8081 11.1474 11.1474 11.1474 11.1474 k = 0.5000 0.5000-0.0000 ( 7248 PWs) bands (ev): -4.4120 -4.4120 -4.4120 -4.4120 -4.4114 -4.4114 -4.4114 -4.4114 -1.7930 -1.7930 -1.7930 -1.7930 -1.7912 -1.7912 -1.7912 -1.7912 1.1439 1.1439 1.1439 1.1439 1.1656 1.1656 1.1656 1.1656 4.1126 4.1126 4.1126 4.1126 4.1389 4.1389 4.1389 4.1389 5.2975 5.2975 5.2975 5.2975 5.2991 5.2991 5.2991 5.2991 6.4897 6.4897 6.4897 6.4897 6.5460 6.5460 6.5460 6.5460 7.5275 7.5275 7.5275 7.5275 7.5697 7.5697 7.5697 7.5697 9.8024 9.8024 9.8024 9.8024 9.8081 9.8081 9.8081 9.8081 11.1474 11.1474 11.1474 11.1474 k = 0.4865 0.4865-0.0000 ( 7273 PWs) bands (ev): -4.4954 -4.4954 -4.4108 -4.4108 -4.4104 -4.4104 -4.3273 -4.3273 -1.8328 -1.8328 -1.8045 -1.8045 -1.7787 -1.7787 -1.7518 -1.7518 1.1185 1.1185 1.1388 1.1388 1.1694 1.1694 1.1928 1.1928 4.0133 4.0133 4.1046 4.1046 4.1293 4.1293 4.2427 4.2427 5.2129 5.2129 5.2464 5.2464 5.3667 5.3667 5.3844 5.3844 6.3917 6.3917 6.4856 6.4856 6.5445 6.5445 6.6426 6.6426 7.4810 7.4810 7.5372 7.5372 7.5532 7.5532 7.6148 7.6148 9.7469 9.7469 9.7667 9.7667 9.8503 9.8503 9.8732 9.8732 11.1145 11.1145 11.1645 11.1645 k = 0.4730 0.4730-0.0000 ( 7273 PWs) bands (ev): -4.5780 -4.5780 -4.4077 -4.4077 -4.4068 -4.4068 -4.2423 -4.2423 -1.8734 -1.8734 -1.8160 -1.8160 -1.7643 -1.7643 -1.7123 -1.7123 1.0931 1.0931 1.1130 1.1130 1.1943 1.1943 1.2208 1.2208 3.9088 3.9088 4.0713 4.0713 4.1094 4.1094 4.3621 4.3621 5.1290 5.1290 5.2160 5.2160 5.4439 5.4439 5.4698 5.4698 6.2778 6.2778 6.4387 6.4387 6.5775 6.5775 6.7511 6.7511 7.4227 7.4227 7.5095 7.5095 7.5659 7.5659 7.6638 7.6638 9.6989 9.6989 9.7354 9.7354 9.9039 9.9039 9.9472 9.9472 11.0793 11.0793 11.1514 11.1514 k = 0.4595 0.4595-0.0000 ( 7275 PWs) bands (ev): -4.6594 -4.6594 -4.4023 -4.4023 -4.4010 -4.4010 -4.1573 -4.1573 -1.9134 -1.9134 -1.8265 -1.8265 -1.7489 -1.7489 -1.6742 -1.6742 1.0671 1.0671 1.0890 1.0890 1.2168 1.2168 1.2509 1.2509 3.8103 3.8103 4.0278 4.0278 4.0685 4.0685 4.4853 4.4853 5.0474 5.0474 5.2083 5.2083 5.5199 5.5199 5.5535 5.5535 6.1618 6.1618 6.3991 6.3991 6.6002 6.6002 6.8578 6.8578 7.3603 7.3603 7.4799 7.4799 7.5713 7.5713 7.7105 7.7105 9.6620 9.6620 9.7116 9.7116 9.9649 9.9649 10.0262 10.0262 11.0473 11.0473 11.1444 11.1444 k = 0.4459 0.4459-0.0000 ( 7271 PWs) bands (ev): -4.7394 -4.7394 -4.3948 -4.3948 -4.3930 -4.3930 -4.0724 -4.0724 -1.9521 -1.9521 -1.8362 -1.8362 -1.7325 -1.7325 -1.6379 -1.6379 1.0405 1.0405 1.0669 1.0669 1.2350 1.2350 1.2844 1.2844 3.7188 3.7188 3.9776 3.9776 4.0091 4.0091 4.6114 4.6114 4.9689 4.9689 5.2207 5.2207 5.5821 5.5821 5.6335 5.6335 6.0473 6.0473 6.3745 6.3745 6.6149 6.6149 6.9580 6.9580 7.2976 7.2976 7.4471 7.4471 7.5704 7.5704 7.7537 7.7537 9.6368 9.6368 9.6952 9.6952 10.0336 10.0336 10.1073 10.1073 11.0210 11.0210 11.1423 11.1423 k = 0.4324 0.4324-0.0000 ( 7275 PWs) bands (ev): -4.8178 -4.8178 -4.3850 -4.3850 -4.3828 -4.3828 -3.9883 -3.9883 -1.9890 -1.9890 -1.8452 -1.8452 -1.7150 -1.7150 -1.6038 -1.6038 1.0137 1.0137 1.0463 1.0463 1.2480 1.2480 1.3217 1.3217 3.6352 3.6352 3.9213 3.9213 3.9379 3.9379 4.7390 4.7390 4.8943 4.8943 5.2476 5.2476 5.6169 5.6169 5.7064 5.7064 5.9389 5.9389 6.3759 6.3759 6.6228 6.6228 7.0418 7.0418 7.2435 7.2435 7.4108 7.4108 7.5643 7.5643 7.7935 7.7935 9.6229 9.6229 9.6861 9.6861 10.1102 10.1102 10.1870 10.1870 11.0022 11.0022 11.1443 11.1443 k = 0.4189 0.4189-0.0000 ( 7289 PWs) bands (ev): -4.8946 -4.8946 -4.3730 -4.3730 -4.3704 -4.3704 -3.9055 -3.9055 -2.0234 -2.0234 -1.8533 -1.8533 -1.6965 -1.6965 -1.5721 -1.5721 0.9873 0.9873 1.0264 1.0264 1.2556 1.2556 1.3627 1.3627 3.5599 3.5599 3.8471 3.8471 3.8735 3.8735 4.8228 4.8228 4.8682 4.8682 5.2812 5.2812 5.6148 5.6148 5.7562 5.7562 5.8556 5.8556 6.4103 6.4103 6.6259 6.6259 7.0720 7.0720 7.2333 7.2333 7.3715 7.3715 7.5544 7.5544 7.8310 7.8310 9.6197 9.6197 9.6843 9.6843 10.1946 10.1946 10.2606 10.2606 10.9924 10.9924 11.1496 11.1496 k = 0.4054 0.4054-0.0000 ( 7277 PWs) bands (ev): -4.9695 -4.9695 -4.3589 -4.3589 -4.3559 -4.3559 -3.8246 -3.8246 -2.0545 -2.0545 -1.8608 -1.8608 -1.6770 -1.6770 -1.5434 -1.5434 0.9616 0.9616 1.0067 1.0067 1.2576 1.2576 1.4074 1.4074 3.4931 3.4931 3.7597 3.7597 3.8168 3.8168 4.7585 4.7585 4.9921 4.9921 5.3116 5.3116 5.5769 5.5769 5.7203 5.7203 5.8671 5.8671 6.4732 6.4732 6.6266 6.6266 7.0299 7.0299 7.2780 7.2780 7.3340 7.3340 7.5447 7.5447 7.8682 7.8682 9.6255 9.6255 9.6898 9.6898 10.2857 10.2857 10.3232 10.3232 10.9942 10.9942 11.1569 11.1569 k = 0.3919 0.3919-0.0000 ( 7277 PWs) bands (ev): -5.0426 -5.0426 -4.3426 -4.3426 -4.3392 -4.3392 -3.7466 -3.7466 -2.0816 -2.0816 -1.8677 -1.8677 -1.6565 -1.6565 -1.5179 -1.5179 0.9368 0.9368 0.9863 0.9863 1.2539 1.2539 1.4559 1.4559 3.4350 3.4350 3.6694 3.6694 3.7619 3.7619 4.6995 4.6995 5.1013 5.1013 5.3313 5.3313 5.5126 5.5126 5.6712 5.6712 5.9144 5.9144 6.5489 6.5489 6.6289 6.6289 6.9668 6.9668 7.2693 7.2693 7.3502 7.3502 7.5446 7.5446 7.9071 7.9071 9.6383 9.6383 9.7027 9.7027 10.3561 10.3561 10.3950 10.3950 11.0097 11.0097 11.1649 11.1649 k = 0.3784 0.3784-0.0000 ( 7275 PWs) bands (ev): -5.1137 -5.1137 -4.3241 -4.3241 -4.3204 -4.3204 -3.6722 -3.6722 -2.1038 -2.1038 -1.8740 -1.8740 -1.6351 -1.6351 -1.4959 -1.4959 0.9131 0.9131 0.9646 0.9646 1.2451 1.2451 1.5080 1.5080 3.3851 3.3851 3.5798 3.5798 3.7088 3.7088 4.6471 4.6471 5.1502 5.1502 5.3688 5.3688 5.4317 5.4317 5.6599 5.6599 5.9565 5.9565 6.6048 6.6048 6.6459 6.6459 6.9094 6.9094 7.2210 7.2210 7.3767 7.3767 7.5690 7.5690 7.9499 7.9499 9.6561 9.6561 9.7229 9.7229 10.3753 10.3753 10.5015 10.5015 11.0401 11.0401 11.1720 11.1720 k = 0.3649 0.3649-0.0000 ( 7267 PWs) bands (ev): -5.1827 -5.1827 -4.3036 -4.3036 -4.2996 -4.2996 -3.6025 -3.6025 -2.1201 -2.1201 -1.8799 -1.8799 -1.6128 -1.6128 -1.4775 -1.4775 0.8905 0.8905 0.9409 0.9409 1.2317 1.2317 1.5639 1.5639 3.3425 3.3425 3.4928 3.4928 3.6581 3.6581 4.6020 4.6020 5.1061 5.1061 5.3376 5.3376 5.4655 5.4655 5.6808 5.6808 5.9889 5.9889 6.6212 6.6212 6.6627 6.6627 6.8864 6.8864 7.1677 7.1677 7.3811 7.3811 7.6183 7.6183 7.9982 7.9982 9.6769 9.6769 9.7505 9.7505 10.3681 10.3681 10.6177 10.6177 11.0830 11.0830 11.1767 11.1767 k = 0.3514 0.3514-0.0000 ( 7273 PWs) bands (ev): -5.2496 -5.2496 -4.2811 -4.2811 -4.2767 -4.2767 -3.5386 -3.5386 -2.1296 -2.1296 -1.8853 -1.8853 -1.5895 -1.5895 -1.4630 -1.4630 0.8689 0.8689 0.9146 0.9146 1.2150 1.2150 1.6234 1.6234 3.3060 3.3060 3.4104 3.4104 3.6102 3.6102 4.5651 4.5651 5.0176 5.0176 5.2388 5.2388 5.5808 5.5808 5.7179 5.7179 6.0111 6.0111 6.6102 6.6102 6.6489 6.6489 6.9040 6.9040 7.1130 7.1130 7.3857 7.3857 7.6773 7.6773 8.0530 8.0530 9.6990 9.6990 9.7854 9.7854 10.3428 10.3428 10.7406 10.7406 11.1323 11.1323 11.1798 11.1798 k = 0.3378 0.3378-0.0000 ( 7259 PWs) bands (ev): -5.3143 -5.3143 -4.2565 -4.2565 -4.2519 -4.2519 -3.4816 -3.4816 -2.1315 -2.1315 -1.8905 -1.8905 -1.5654 -1.5654 -1.4524 -1.4524 0.8482 0.8482 0.8850 0.8850 1.1959 1.1959 1.6864 1.6864 3.2735 3.2735 3.3347 3.3347 3.5655 3.5655 4.5369 4.5369 4.9135 4.9135 5.1359 5.1359 5.6796 5.6796 5.7748 5.7748 6.0244 6.0244 6.5406 6.5406 6.6696 6.6696 6.9151 6.9151 7.0594 7.0594 7.4110 7.4110 7.7367 7.7367 8.1143 8.1143 9.7208 9.7208 9.8277 9.8277 10.3081 10.3081 10.8680 10.8680 11.1596 11.1596 11.2067 11.2067 k = 0.3243 0.3243-0.0000 ( 7267 PWs) bands (ev): -5.3767 -5.3767 -4.2300 -4.2300 -4.2251 -4.2251 -3.4324 -3.4324 -2.1252 -2.1252 -1.8953 -1.8953 -1.5404 -1.5404 -1.4459 -1.4459 0.8277 0.8277 0.8525 0.8525 1.1756 1.1756 1.7527 1.7527 3.2384 3.2384 3.2716 3.2716 3.5243 3.5243 4.5178 4.5178 4.8033 4.8033 5.0313 5.0313 5.7236 5.7236 5.8735 5.8735 6.0328 6.0328 6.4554 6.4554 6.7035 6.7035 6.8934 6.8934 7.0107 7.0107 7.4631 7.4631 7.7926 7.7926 8.1812 8.1812 9.7411 9.7411 9.8773 9.8773 10.2729 10.2729 10.9947 10.9947 11.1572 11.1572 11.2681 11.2681 k = 0.3108 0.3108-0.0000 ( 7271 PWs) bands (ev): -5.4369 -5.4369 -4.2015 -4.2015 -4.1965 -4.1965 -3.3917 -3.3917 -2.1105 -2.1105 -1.9000 -1.9000 -1.5144 -1.5144 -1.4436 -1.4436 0.8046 0.8046 0.8200 0.8200 1.1551 1.1551 1.8221 1.8221 3.1876 3.1876 3.2340 3.2340 3.4867 3.4867 4.5079 4.5079 4.6911 4.6911 4.9268 4.9268 5.7315 5.7315 5.9741 5.9741 6.0509 6.0509 6.3650 6.3650 6.7413 6.7413 6.8428 6.8428 6.9748 6.9748 7.5321 7.5321 7.8438 7.8438 8.2524 8.2524 9.7585 9.7585 9.9339 9.9339 10.2445 10.2445 11.0831 11.0831 11.1867 11.1867 11.3394 11.3394 k = 0.2973 0.2973-0.0000 ( 7271 PWs) bands (ev): -5.4947 -5.4947 -4.1713 -4.1713 -4.1661 -4.1661 -3.3597 -3.3597 -2.0877 -2.0877 -1.9046 -1.9046 -1.4874 -1.4874 -1.4452 -1.4452 0.7705 0.7705 0.7964 0.7964 1.1349 1.1349 1.8941 1.8941 3.1343 3.1343 3.2085 3.2085 3.4527 3.4527 4.5052 4.5052 4.5802 4.5802 4.8241 4.8241 5.7182 5.7182 6.0072 6.0072 6.1263 6.1263 6.2745 6.2745 6.7425 6.7425 6.8011 6.8011 6.9679 6.9679 7.6051 7.6051 7.8900 7.8900 8.3258 8.3258 9.7714 9.7714 9.9971 9.9971 10.2290 10.2290 11.0835 11.0835 11.3004 11.3004 11.4180 11.4180 k = 0.2838 0.2838-0.0000 ( 7259 PWs) bands (ev): -5.5502 -5.5502 -4.1393 -4.1393 -4.1339 -4.1339 -3.3363 -3.3363 -2.0578 -2.0578 -1.9091 -1.9091 -1.4594 -1.4594 -1.4507 -1.4507 0.7301 0.7301 0.7781 0.7781 1.1151 1.1151 1.9683 1.9683 3.0875 3.0875 3.1857 3.1857 3.4223 3.4223 4.4609 4.4609 4.5180 4.5180 4.7266 4.7266 5.6881 5.6881 6.0063 6.0063 6.1595 6.1595 6.2403 6.2403 6.6604 6.6604 6.8131 6.8131 7.0062 7.0062 7.6732 7.6732 7.9309 7.9309 8.3992 8.3992 9.7781 9.7781 10.0660 10.0660 10.2311 10.2311 11.0637 11.0637 11.4286 11.4286 11.5054 11.5054 k = 0.2703 0.2703-0.0000 ( 7261 PWs) bands (ev): -5.6033 -5.6033 -4.1056 -4.1056 -4.1002 -4.1002 -3.3208 -3.3208 -2.0223 -2.0223 -1.9135 -1.9135 -1.4610 -1.4610 -1.4289 -1.4289 0.6882 0.6882 0.7614 0.7614 1.0956 1.0956 2.0440 2.0440 3.0493 3.0493 3.1640 3.1640 3.3952 3.3952 4.3537 4.3537 4.5147 4.5147 4.6462 4.6462 5.6448 5.6448 5.9979 5.9979 6.0739 6.0739 6.3004 6.3004 6.5569 6.5569 6.8413 6.8413 7.0801 7.0801 7.7316 7.7316 7.9665 7.9665 8.4700 8.4700 9.7768 9.7768 10.1395 10.1395 10.2540 10.2540 11.0453 11.0453 11.5380 11.5380 11.6116 11.6116 k = 0.2568 0.2568-0.0000 ( 7275 PWs) bands (ev): -5.6539 -5.6539 -4.0704 -4.0704 -4.0650 -4.0650 -3.3123 -3.3123 -1.9836 -1.9836 -1.9179 -1.9179 -1.4746 -1.4746 -1.3968 -1.3968 0.6469 0.6469 0.7458 0.7458 1.0762 1.0762 2.1205 2.1205 3.0203 3.0203 3.1430 3.1430 3.3715 3.3715 4.2467 4.2467 4.4713 4.4713 4.6191 4.6191 5.5913 5.5913 5.9726 5.9726 5.9937 5.9937 6.3308 6.3308 6.4431 6.4431 6.9014 6.9014 7.1735 7.1735 7.7784 7.7784 7.9960 7.9960 8.5359 8.5359 9.7655 9.7655 10.2157 10.2157 10.2998 10.2998 11.0358 11.0358 11.6142 11.6142 11.7368 11.7368 k = 0.2432 0.2432-0.0000 ( 7275 PWs) bands (ev): -5.7021 -5.7021 -4.0338 -4.0338 -4.0283 -4.0283 -3.3098 -3.3098 -1.9440 -1.9440 -1.9222 -1.9222 -1.4919 -1.4919 -1.3618 -1.3618 0.6078 0.6078 0.7312 0.7312 1.0566 1.0566 2.1966 2.1966 3.0011 3.0011 3.1227 3.1227 3.3510 3.3510 4.1426 4.1426 4.3906 4.3906 4.6397 4.6397 5.5298 5.5298 5.8851 5.8851 5.9734 5.9734 6.3165 6.3165 6.3331 6.3331 6.9949 6.9949 7.2781 7.2781 7.8142 7.8142 8.0187 8.0187 8.5944 8.5944 9.7431 9.7431 10.2933 10.2933 10.3682 10.3682 11.0409 11.0409 11.6612 11.6612 11.8619 11.8619 k = 0.2297 0.2297-0.0000 ( 7269 PWs) bands (ev): -5.7478 -5.7478 -3.9958 -3.9958 -3.9904 -3.9904 -3.3120 -3.3120 -1.9270 -1.9270 -1.9057 -1.9057 -1.5129 -1.5129 -1.3234 -1.3234 0.5722 0.5722 0.7177 0.7177 1.0365 1.0365 2.2713 2.2713 2.9919 2.9919 3.1033 3.1033 3.3340 3.3340 4.0422 4.0422 4.3026 4.3026 4.6767 4.6767 5.4624 5.4624 5.7950 5.7950 5.9553 5.9553 6.1931 6.1931 6.3052 6.3052 7.1114 7.1114 7.3899 7.3899 7.8406 7.8406 8.0343 8.0343 8.6434 8.6434 9.7098 9.7098 10.3719 10.3719 10.4562 10.4562 11.0644 11.0644 11.6822 11.6822 11.9730 11.9730 k = 0.2162 0.2162-0.0000 ( 7267 PWs) bands (ev): -5.7910 -5.7910 -3.9568 -3.9568 -3.9515 -3.9515 -3.3180 -3.3180 -1.9314 -1.9314 -1.8721 -1.8721 -1.5372 -1.5372 -1.2807 -1.2807 0.5415 0.5415 0.7054 0.7054 1.0155 1.0155 2.3431 2.3431 2.9924 2.9924 3.0852 3.0852 3.3206 3.3206 3.9465 3.9465 4.2153 4.2153 4.7201 4.7201 5.3907 5.3907 5.7084 5.7084 5.9349 5.9349 6.0628 6.0628 6.2696 6.2696 7.2410 7.2410 7.5062 7.5062 7.8595 7.8595 8.0431 8.0431 8.6812 8.6812 9.6674 9.6674 10.4495 10.4495 10.5606 10.5606 11.1079 11.1079 11.6837 11.6837 12.0732 12.0732 k = 0.2027 0.2027-0.0000 ( 7267 PWs) bands (ev): -5.8316 -5.8316 -3.9168 -3.9168 -3.9116 -3.9116 -3.3267 -3.3267 -1.9358 -1.9358 -1.8447 -1.8447 -1.5645 -1.5645 -1.2335 -1.2335 0.5165 0.5165 0.6945 0.6945 0.9935 0.9935 2.4107 2.4107 3.0010 3.0010 3.0700 3.0700 3.3110 3.3110 3.8566 3.8566 4.1310 4.1310 4.7652 4.7652 5.3158 5.3158 5.6275 5.6275 5.9009 5.9009 5.9423 5.9423 6.2285 6.2285 7.3778 7.3778 7.6246 7.6246 7.8727 7.8727 8.0462 8.0462 8.7066 8.7066 9.6197 9.6197 10.5216 10.5216 10.6790 10.6790 11.1711 11.1711 11.6719 11.6719 12.1582 12.1582 k = 0.1892 0.1892-0.0000 ( 7267 PWs) bands (ev): -5.8697 -5.8697 -3.8760 -3.8760 -3.8711 -3.8711 -3.3373 -3.3373 -1.9402 -1.9402 -1.8249 -1.8249 -1.5946 -1.5946 -1.1819 -1.1819 0.4982 0.4982 0.6851 0.6851 0.9704 0.9704 2.4731 2.4731 3.0113 3.0113 3.0629 3.0629 3.3056 3.3056 3.7741 3.7741 4.0505 4.0505 4.8079 4.8079 5.2390 5.2390 5.5550 5.5550 5.7850 5.7850 5.9019 5.9019 6.1849 6.1849 7.5178 7.5178 7.7426 7.7426 7.8820 7.8820 8.0452 8.0452 8.7190 8.7190 9.5709 9.5709 10.5829 10.5829 10.8082 10.8082 11.2523 11.2523 11.6542 11.6542 12.2112 12.2112 k = 0.1757 0.1757-0.0000 ( 7265 PWs) bands (ev): -5.9053 -5.9053 -3.8348 -3.8348 -3.8301 -3.8301 -3.3492 -3.3492 -1.9446 -1.9446 -1.8132 -1.8132 -1.6270 -1.6270 -1.1266 -1.1266 0.4868 0.4868 0.6774 0.6774 0.9461 0.9461 2.5297 2.5297 3.0102 3.0102 3.0744 3.0744 3.3045 3.3045 3.7016 3.7016 3.9745 3.9745 4.8430 4.8430 5.1613 5.1613 5.4944 5.4944 5.6513 5.6513 5.8798 5.8798 6.1406 6.1406 7.6582 7.6582 7.8552 7.8552 7.8896 7.8896 8.0436 8.0436 8.7197 8.7197 9.5256 9.5256 10.6276 10.6276 10.9439 10.9439 11.3487 11.3487 11.6397 11.6397 12.2328 12.2328 k = 0.1622 0.1622-0.0000 ( 7249 PWs) bands (ev): -5.9382 -5.9382 -3.7934 -3.7934 -3.7890 -3.7890 -3.3618 -3.3618 -1.9490 -1.9490 -1.8094 -1.8094 -1.6613 -1.6613 -1.0685 -1.0685 0.4827 0.4827 0.6713 0.6713 0.9207 0.9207 2.5804 2.5804 2.9991 2.9991 3.0980 3.0980 3.3077 3.3077 3.6429 3.6429 3.9032 3.9032 4.8645 4.8645 5.0836 5.0836 5.4475 5.4475 5.5218 5.5218 5.8593 5.8593 6.0963 6.0963 7.7945 7.7945 7.8933 7.8933 7.9525 7.9525 8.0540 8.0540 8.7120 8.7120 9.4872 9.4872 10.6500 10.6500 11.0798 11.0798 11.4571 11.4571 11.6396 11.6396 12.2420 12.2420 k = 0.1486 0.1486-0.0000 ( 7241 PWs) bands (ev): -5.9686 -5.9686 -3.7521 -3.7521 -3.7480 -3.7480 -3.3746 -3.3746 -1.9532 -1.9532 -1.8130 -1.8130 -1.6971 -1.6971 -1.0090 -1.0090 0.4856 0.4856 0.6668 0.6668 0.8944 0.8944 2.6262 2.6262 2.9855 2.9855 3.1192 3.1192 3.3151 3.3151 3.6038 3.6038 3.8369 3.8369 4.8668 4.8668 5.0070 5.0070 5.3703 5.3703 5.4472 5.4472 5.8397 5.8397 6.0526 6.0526 7.8850 7.8850 7.9357 7.9357 7.9883 7.9883 8.1163 8.1163 8.7031 8.7031 9.4577 9.4577 10.6470 10.6470 11.2068 11.2068 11.5739 11.5739 11.6663 11.6663 12.2515 12.2515 k = 0.1351 0.1351-0.0000 ( 7237 PWs) bands (ev): -5.9964 -5.9964 -3.7114 -3.7114 -3.7076 -3.7076 -3.3872 -3.3872 -1.9573 -1.9573 -1.8229 -1.8229 -1.7336 -1.7336 -0.9494 -0.9494 0.4950 0.4950 0.6640 0.6640 0.8674 0.8674 2.6677 2.6677 2.9718 2.9718 3.1272 3.1272 3.3263 3.3263 3.5904 3.5904 3.7761 3.7761 4.8486 4.8486 4.9322 4.9322 5.2472 5.2472 5.4454 5.4454 5.8213 5.8213 6.0098 6.0098 7.8927 7.8927 7.9862 7.9862 8.0395 8.0395 8.2120 8.2120 8.7043 8.7043 9.4375 9.4375 10.6192 10.6192 11.3134 11.3134 11.6943 11.6943 11.7307 11.7307 12.2548 12.2548 k = 0.1216 0.1216-0.0000 ( 7235 PWs) bands (ev): -6.0215 -6.0215 -3.6716 -3.6716 -3.6682 -3.6682 -3.3994 -3.3994 -1.9611 -1.9611 -1.8377 -1.8377 -1.7704 -1.7704 -0.8910 -0.8910 0.5100 0.5100 0.6626 0.6626 0.8401 0.8401 2.7058 2.7058 2.9589 2.9589 3.1178 3.1178 3.3409 3.3409 3.6041 3.6041 3.7210 3.7210 4.8134 4.8134 4.8605 4.8605 5.1246 5.1246 5.4668 5.4668 5.8040 5.8040 5.9681 5.9681 7.8955 7.8955 7.9779 7.9779 8.1053 8.1053 8.3213 8.3213 8.7270 8.7270 9.4264 9.4264 10.5717 10.5717 11.3924 11.3924 11.8128 11.8128 11.8335 11.8335 12.2252 12.2252 k = 0.1081 0.1081-0.0000 ( 7231 PWs) bands (ev): -6.0440 -6.0440 -3.6334 -3.6334 -3.6303 -3.6303 -3.4108 -3.4108 -1.9647 -1.9647 -1.8563 -1.8563 -1.8065 -1.8065 -0.8351 -0.8351 0.5295 0.5295 0.6624 0.6624 0.8130 0.8130 2.7410 2.7410 2.9471 2.9471 3.0939 3.0939 3.3583 3.3583 3.6376 3.6376 3.6738 3.6738 4.7669 4.7669 4.7932 4.7932 5.0079 5.0079 5.5008 5.5008 5.7882 5.7882 5.9280 5.9280 7.8978 7.8978 7.9681 7.9681 8.1241 8.1241 8.4421 8.4421 8.7747 8.7747 9.4241 9.4241 10.5111 10.5111 11.4474 11.4474 11.9180 11.9180 11.9599 11.9599 12.1656 12.1656 k = 0.0946 0.0946-0.0000 ( 7223 PWs) bands (ev): -6.0639 -6.0639 -3.5973 -3.5973 -3.5945 -3.5945 -3.4212 -3.4212 -1.9680 -1.9680 -1.8771 -1.8771 -1.8414 -1.8414 -0.7826 -0.7826 0.5519 0.5519 0.6634 0.6634 0.7866 0.7866 2.7735 2.7735 2.9366 2.9366 3.0623 3.0623 3.3778 3.3778 3.6245 3.6245 3.6923 3.6923 4.7138 4.7138 4.7323 4.7323 4.8992 4.8992 5.5406 5.5406 5.7739 5.7739 5.8898 5.8898 7.9001 7.9001 7.9584 7.9584 8.1092 8.1092 8.5664 8.5664 8.8394 8.8394 9.4304 9.4304 10.4442 10.4442 11.4859 11.4859 11.9607 11.9607 12.0767 12.0767 12.1186 12.1186 k = 0.0811 0.0811-0.0000 ( 7217 PWs) bands (ev): -6.0812 -6.0812 -3.5639 -3.5639 -3.5614 -3.5614 -3.4306 -3.4306 -1.9710 -1.9710 -1.8989 -1.8989 -1.8742 -1.8742 -0.7347 -0.7347 0.5756 0.5756 0.6652 0.6652 0.7617 0.7617 2.8028 2.8028 2.9278 2.9278 3.0287 3.0287 3.3985 3.3985 3.5875 3.5875 3.7462 3.7462 4.6589 4.6589 4.6782 4.6782 4.8002 4.8002 5.5812 5.5812 5.7614 5.7614 5.8542 5.8542 7.9026 7.9026 7.9495 7.9495 8.0769 8.0769 8.6876 8.6876 8.9088 8.9088 9.4456 9.4456 10.3764 10.3764 11.5132 11.5132 11.9152 11.9152 11.9931 11.9931 12.2549 12.2549 k = 0.0676 0.0676-0.0000 ( 7201 PWs) bands (ev): -6.0958 -6.0958 -3.5339 -3.5339 -3.5316 -3.5316 -3.4387 -3.4387 -1.9736 -1.9736 -1.9202 -1.9202 -1.9039 -1.9039 -0.6921 -0.6921 0.5987 0.5987 0.6678 0.6678 0.7391 0.7391 2.8281 2.8281 2.9209 2.9209 2.9970 2.9970 3.4195 3.4195 3.5556 3.5556 3.8006 3.8006 4.6071 4.6071 4.6299 4.6299 4.7127 4.7127 5.6191 5.6191 5.7507 5.7507 5.8221 5.8221 7.9049 7.9049 7.9419 7.9419 8.0385 8.0385 8.8010 8.8010 8.9729 8.9729 9.4698 9.4698 10.3121 10.3121 11.5326 11.5326 11.8344 11.8344 11.8860 11.8860 12.3942 12.3942 k = 0.0541 0.0541-0.0000 ( 7189 PWs) bands (ev): -6.1078 -6.1078 -3.5081 -3.5081 -3.5059 -3.5059 -3.4454 -3.4454 -1.9758 -1.9758 -1.9398 -1.9398 -1.9297 -1.9297 -0.6558 -0.6558 0.6189 0.6189 0.6711 0.6711 0.7198 0.7198 2.8480 2.8480 2.9167 2.9167 2.9699 2.9699 3.4396 3.4396 3.5296 3.5296 3.8507 3.8507 4.5613 4.5613 4.5879 4.5879 4.6387 4.6387 5.6512 5.6512 5.7427 5.7427 5.7946 5.7946 7.9066 7.9066 7.9360 7.9360 8.0011 8.0011 8.9025 8.9025 9.0254 9.0254 9.5017 9.5017 10.2549 10.2549 11.5461 11.5461 11.7502 11.7502 11.7835 11.7835 12.5118 12.5118 k = 0.0405 0.0405-0.0000 ( 7175 PWs) bands (ev): -6.1171 -6.1171 -3.4871 -3.4871 -3.4850 -3.4850 -3.4507 -3.4507 -1.9775 -1.9775 -1.9565 -1.9565 -1.9508 -1.9508 -0.6266 -0.6266 0.6337 0.6337 0.6757 0.6757 0.7049 0.7049 2.8606 2.8606 2.9160 2.9160 2.9489 2.9489 3.4574 3.4574 3.5094 3.5094 3.8932 3.8932 4.5227 4.5227 4.5535 4.5535 4.5802 4.5802 5.6740 5.6740 5.7386 5.7386 5.7730 5.7730 7.9069 7.9069 7.9322 7.9322 7.9693 7.9693 8.9880 8.9880 9.0641 9.0641 9.5370 9.5370 10.2075 10.2075 11.5552 11.5552 11.6746 11.6746 11.6953 11.6953 12.6024 12.6024 k = 0.0270 0.0270-0.0000 ( 7161 PWs) bands (ev): -6.1237 -6.1237 -3.4716 -3.4716 -3.4696 -3.4696 -3.4545 -3.4545 -1.9788 -1.9788 -1.9693 -1.9693 -1.9664 -1.9664 -0.6051 -0.6051 0.6415 0.6415 0.6815 0.6815 0.6951 0.6951 2.8655 2.8655 2.9190 2.9190 2.9347 2.9347 3.4715 3.4715 3.4951 3.4951 3.9254 3.9254 4.4924 4.4924 4.5279 4.5279 4.5388 4.5388 5.6850 5.6850 5.7402 5.7402 5.7581 5.7581 7.9051 7.9051 7.9303 7.9303 7.9462 7.9462 9.0533 9.0533 9.0897 9.0897 9.5695 9.5695 10.1720 10.1720 11.5604 11.5604 11.6148 11.6148 11.6280 11.6280 12.6667 12.6667 k = 0.0135 0.0135-0.0000 ( 7151 PWs) bands (ev): -6.1277 -6.1277 -3.4621 -3.4621 -3.4606 -3.4606 -3.4563 -3.4563 -1.9798 -1.9798 -1.9776 -1.9776 -1.9755 -1.9755 -0.5919 -0.5919 0.6440 0.6440 0.6866 0.6866 0.6901 0.6901 2.8658 2.8658 2.9228 2.9228 2.9269 2.9269 3.4805 3.4805 3.4865 3.4865 3.9455 3.9455 4.4726 4.4726 4.5121 4.5121 4.5146 4.5146 5.6872 5.6872 5.7448 5.7448 5.7497 5.7497 7.9019 7.9019 7.9298 7.9298 7.9335 7.9335 9.0944 9.0944 9.1039 9.1039 9.5924 9.5924 10.1501 10.1501 11.5602 11.5602 11.5789 11.5789 11.5861 11.5861 12.7044 12.7044 k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -6.1290 -6.1290 -3.4589 -3.4589 -3.4589 -3.4589 -3.4556 -3.4556 -1.9805 -1.9805 -1.9805 -1.9805 -1.9781 -1.9781 -0.5875 -0.5875 0.6443 0.6443 0.6886 0.6886 0.6886 0.6886 2.8654 2.8654 2.9244 2.9244 2.9244 2.9244 3.4837 3.4837 3.4837 3.4837 3.9524 3.9524 4.4656 4.4656 4.5068 4.5068 4.5068 4.5068 5.6871 5.6871 5.7471 5.7471 5.7471 5.7471 7.9001 7.9001 7.9297 7.9297 7.9297 7.9297 9.1085 9.1085 9.1085 9.1085 9.6007 9.6007 10.1427 10.1427 11.5545 11.5545 11.5719 11.5719 11.5719 11.5719 12.7166 12.7166 k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -6.1290 -6.1290 -3.4589 -3.4589 -3.4589 -3.4589 -3.4556 -3.4556 -1.9805 -1.9805 -1.9805 -1.9805 -1.9781 -1.9781 -0.5875 -0.5875 0.6443 0.6443 0.6886 0.6886 0.6886 0.6886 2.8654 2.8654 2.9244 2.9244 2.9244 2.9244 3.4837 3.4837 3.4837 3.4837 3.9524 3.9524 4.4656 4.4656 4.5068 4.5068 4.5068 4.5068 5.6871 5.6871 5.7471 5.7471 5.7471 5.7471 7.9001 7.9001 7.9297 7.9297 7.9297 7.9297 9.1085 9.1085 9.1085 9.1085 9.6007 9.6007 10.1427 10.1427 11.5545 11.5545 11.5719 11.5719 11.5719 11.5719 12.7166 12.7166 k = 0.0109 0.0109 0.0109 ( 7150 PWs) bands (ev): -6.1278 -6.1278 -3.4608 -3.4608 -3.4606 -3.4606 -3.4574 -3.4574 -1.9790 -1.9790 -1.9782 -1.9782 -1.9758 -1.9758 -0.5918 -0.5918 0.6440 0.6440 0.6867 0.6867 0.6900 0.6900 2.8658 2.8658 2.9232 2.9232 2.9265 2.9265 3.4833 3.4833 3.4837 3.4837 3.9457 3.9457 4.4725 4.4725 4.5130 4.5130 4.5132 4.5132 5.6874 5.6874 5.7464 5.7464 5.7480 5.7480 7.9020 7.9020 7.9310 7.9310 7.9319 7.9319 9.0994 9.0994 9.0995 9.0995 9.5925 9.5925 10.1499 10.1499 11.5631 11.5631 11.5805 11.5805 11.5808 11.5808 12.7048 12.7048 k = 0.0217 0.0217 0.0217 ( 7156 PWs) bands (ev): -6.1239 -6.1239 -3.4665 -3.4665 -3.4658 -3.4658 -3.4628 -3.4628 -1.9746 -1.9746 -1.9732 -1.9732 -1.9674 -1.9674 -0.6046 -0.6046 0.6421 0.6421 0.6810 0.6810 0.6952 0.6952 2.8659 2.8659 2.9206 2.9206 2.9325 2.9325 3.4823 3.4823 3.4841 3.4841 3.9261 3.9261 4.4929 4.4929 4.5317 4.5317 4.5324 4.5324 5.6880 5.6880 5.7445 5.7445 5.7508 5.7508 7.9076 7.9076 7.9348 7.9348 7.9386 7.9386 9.0727 9.0727 9.0730 9.0730 9.5689 9.5689 10.1712 10.1712 11.5881 11.5881 11.6058 11.6058 11.6072 11.6072 12.6678 12.6678 k = 0.0326 0.0326 0.0326 ( 7174 PWs) bands (ev): -6.1174 -6.1174 -3.4759 -3.4759 -3.4743 -3.4743 -3.4715 -3.4715 -1.9675 -1.9675 -1.9660 -1.9660 -1.9527 -1.9527 -0.6254 -0.6254 0.6368 0.6368 0.6719 0.6719 0.7059 0.7059 2.8624 2.8624 2.9202 2.9202 2.9425 2.9425 3.4810 3.4810 3.4849 3.4849 3.8944 3.8944 4.5263 4.5263 4.5622 4.5622 4.5637 4.5637 5.6881 5.6881 5.7415 5.7415 5.7560 5.7560 7.9162 7.9162 7.9412 7.9412 7.9496 7.9496 9.0298 9.0298 9.0305 9.0305 9.5316 9.5316 10.2057 10.2057 11.6276 11.6276 11.6460 11.6460 11.6490 11.6490 12.6003 12.6003 k = 0.0435 0.0435 0.0435 ( 7180 PWs) bands (ev): -6.1084 -6.1084 -3.4888 -3.4888 -3.4859 -3.4859 -3.4833 -3.4833 -1.9581 -1.9581 -1.9565 -1.9565 -1.9325 -1.9325 -0.6539 -0.6539 0.6278 0.6278 0.6600 0.6600 0.7226 0.7226 2.8516 2.8516 2.9260 2.9260 2.9563 2.9563 3.4800 3.4800 3.4865 3.4865 3.8521 3.8521 4.5717 4.5717 4.6038 4.6038 4.6063 4.6063 5.6872 5.6872 5.7377 5.7377 5.7640 5.7640 7.9269 7.9269 7.9506 7.9506 7.9645 7.9645 8.9724 8.9724 8.9738 8.9738 9.4833 9.4833 10.2520 10.2520 11.6787 11.6787 11.6986 11.6986 11.7034 11.7034 12.4952 12.4952 k = 0.0543 0.0543 0.0543 ( 7204 PWs) bands (ev): -6.0968 -6.0968 -3.5048 -3.5048 -3.5003 -3.5003 -3.4978 -3.4978 -1.9469 -1.9469 -1.9454 -1.9454 -1.9074 -1.9074 -0.6892 -0.6892 0.6160 0.6160 0.6459 0.6459 0.7447 0.7447 2.8330 2.8330 2.9384 2.9384 2.9738 2.9738 3.4797 3.4797 3.4892 3.4892 3.8012 3.8012 4.6281 4.6281 4.6555 4.6555 4.6590 4.6590 5.6852 5.6852 5.7336 5.7336 5.7744 5.7744 7.9375 7.9375 7.9635 7.9635 7.9829 7.9829 8.9029 8.9029 8.9052 8.9052 9.4272 9.4272 10.3083 10.3083 11.7379 11.7379 11.7595 11.7595 11.7663 11.7663 12.3616 12.3616 k = 0.0652 0.0652 0.0652 ( 7202 PWs) bands (ev): -6.0826 -6.0826 -3.5235 -3.5235 -3.5171 -3.5171 -3.5147 -3.5147 -1.9347 -1.9347 -1.9332 -1.9332 -1.8780 -1.8780 -0.7308 -0.7308 0.6025 0.6025 0.6306 0.6306 0.7713 0.7713 2.8081 2.8081 2.9561 2.9561 2.9946 2.9946 3.4808 3.4808 3.4935 3.4935 3.7442 3.7442 4.6938 4.6938 4.7160 4.7160 4.7203 4.7203 5.6826 5.6826 5.7297 5.7297 5.7869 5.7869 7.9462 7.9462 7.9802 7.9802 8.0042 8.0042 8.8236 8.8236 8.8273 8.8273 9.3667 9.3667 10.3721 10.3721 11.8006 11.8006 11.8233 11.8233 11.8323 11.8323 12.2145 12.2145 k = 0.0761 0.0761 0.0761 ( 7220 PWs) bands (ev): -6.0659 -6.0659 -3.5443 -3.5443 -3.5360 -3.5360 -3.5337 -3.5337 -1.9220 -1.9220 -1.9207 -1.9207 -1.8450 -1.8450 -0.7778 -0.7778 0.5886 0.5886 0.6151 0.6151 0.8017 0.8017 2.7778 2.7778 2.9779 2.9779 3.0187 3.0187 3.4836 3.4836 3.4997 3.4997 3.6836 3.6836 4.7673 4.7673 4.7839 4.7839 4.7884 4.7884 5.6804 5.6804 5.7269 5.7269 5.8014 5.8014 7.9513 7.9513 7.9995 7.9995 8.0275 8.0275 8.7368 8.7368 8.7424 8.7424 9.3051 9.3051 10.4402 10.4402 11.8584 11.8584 11.8823 11.8823 11.8940 11.8940 12.0643 12.0643 k = 0.0870 0.0870 0.0870 ( 7235 PWs) bands (ev): -6.0465 -6.0465 -3.5669 -3.5669 -3.5566 -3.5566 -3.5544 -3.5544 -1.9098 -1.9098 -1.9085 -1.9085 -1.8090 -1.8090 -0.8296 -0.8296 0.5754 0.5754 0.6003 0.6003 0.8353 0.8353 2.7420 2.7420 3.0033 3.0033 3.0458 3.0458 3.4886 3.4886 3.5081 3.5081 3.6224 3.6224 4.8466 4.8466 4.8573 4.8573 4.8615 4.8615 5.6797 5.6797 5.7264 5.7264 5.8180 5.8180 7.9514 7.9514 8.0194 8.0194 8.0517 8.0517 8.6450 8.6450 8.6533 8.6533 9.2461 9.2461 10.5086 10.5086 11.8709 11.8709 11.9005 11.9005 11.9411 11.9411 11.9718 11.9718 k = 0.0978 0.0978 0.0978 ( 7235 PWs) bands (ev): -6.0247 -6.0247 -3.5909 -3.5909 -3.5787 -3.5787 -3.5765 -3.5765 -1.8988 -1.8988 -1.8976 -1.8976 -1.7709 -1.7709 -0.8853 -0.8853 0.5639 0.5639 0.5875 0.5875 0.8717 0.8717 2.7006 2.7006 3.0318 3.0318 3.0758 3.0758 3.4958 3.4958 3.5188 3.5188 3.5636 3.5636 4.9295 4.9295 4.9342 4.9342 4.9374 4.9374 5.6823 5.6823 5.7297 5.7297 5.8374 5.8374 7.9442 7.9442 8.0374 8.0374 8.0748 8.0748 8.5509 8.5509 8.5630 8.5630 9.1929 9.1929 10.5720 10.5720 11.7291 11.7291 11.9026 11.9026 11.9612 11.9612 11.9971 11.9971 k = 0.1087 0.1087 0.1087 ( 7229 PWs) bands (ev): -6.0003 -6.0003 -3.6157 -3.6157 -3.6017 -3.6017 -3.5996 -3.5996 -1.8897 -1.8897 -1.8887 -1.8887 -1.7314 -1.7314 -0.9443 -0.9443 0.5554 0.5554 0.5776 0.5776 0.9106 0.9106 2.6528 2.6528 3.0631 3.0631 3.1084 3.1084 3.5002 3.5002 3.5153 3.5153 3.5322 3.5322 5.0110 5.0110 5.0118 5.0118 5.0156 5.0156 5.6904 5.6904 5.7389 5.7389 5.8610 5.8610 7.9274 7.9274 8.0492 8.0492 8.0930 8.0930 8.4590 8.4590 8.4763 8.4763 9.1487 9.1487 10.6238 10.6238 11.5732 11.5732 11.8699 11.8699 11.9458 11.9458 12.0014 12.0014 k = 0.1196 0.1196 0.1196 ( 7229 PWs) bands (ev): -5.9733 -5.9733 -3.6412 -3.6412 -3.6254 -3.6254 -3.6233 -3.6233 -1.8834 -1.8834 -1.8825 -1.8825 -1.6915 -1.6915 -1.0059 -1.0059 0.5508 0.5508 0.5717 0.5717 0.9515 0.9515 2.5985 2.5985 3.0970 3.0970 3.1435 3.1435 3.4603 3.4603 3.5212 3.5212 3.5482 3.5482 5.0845 5.0845 5.0865 5.0865 5.0960 5.0960 5.7071 5.7071 5.7569 5.7569 5.8906 5.8906 7.8989 7.8989 8.0472 8.0472 8.0978 8.0978 8.3779 8.3779 8.4007 8.4007 9.1157 9.1157 10.6572 10.6572 11.4181 11.4181 11.8094 11.8094 11.8964 11.8964 11.9865 11.9865 k = 0.1304 0.1304 0.1304 ( 7223 PWs) bands (ev): -5.9438 -5.9438 -3.6668 -3.6668 -3.6495 -3.6495 -3.6475 -3.6475 -1.8805 -1.8805 -1.8797 -1.8797 -1.6521 -1.6521 -1.0692 -1.0692 0.5509 0.5509 0.5707 0.5707 0.9944 0.9944 2.5376 2.5376 3.1334 3.1334 3.1810 3.1810 3.4224 3.4224 3.5369 3.5369 3.5671 3.5671 5.1506 5.1506 5.1546 5.1546 5.1704 5.1704 5.7367 5.7367 5.7872 5.7872 5.9284 5.9284 7.8573 7.8573 8.0206 8.0206 8.0732 8.0732 8.3238 8.3238 8.3471 8.3471 9.0950 9.0950 10.6665 10.6665 11.2665 11.2665 11.7302 11.7302 11.8213 11.8213 11.9789 11.9789 k = 0.1413 0.1413 0.1413 ( 7241 PWs) bands (ev): -5.9118 -5.9118 -3.6924 -3.6924 -3.6737 -3.6737 -3.6717 -3.6717 -1.8816 -1.8816 -1.8809 -1.8809 -1.6147 -1.6147 -1.1332 -1.1332 0.5567 0.5567 0.5753 0.5753 1.0391 1.0391 2.4707 2.4707 3.1721 3.1721 3.2208 3.2208 3.3940 3.3940 3.5560 3.5560 3.5888 3.5888 5.2069 5.2069 5.2119 5.2119 5.2336 5.2336 5.7830 5.7830 5.8332 5.8332 5.9765 5.9765 7.8024 7.8024 7.9634 7.9634 8.0096 8.0096 8.3062 8.3062 8.3216 8.3216 9.0863 9.0863 10.6494 10.6494 11.1205 11.1205 11.6379 11.6379 11.7290 11.7290 11.9897 11.9897 k = 0.1522 0.1522 0.1522 ( 7232 PWs) bands (ev): -5.8773 -5.8773 -3.7178 -3.7178 -3.6978 -3.6978 -3.6959 -3.6959 -1.8870 -1.8870 -1.8865 -1.8865 -1.5812 -1.5812 -1.1965 -1.1965 0.5688 0.5688 0.5863 0.5863 1.0853 1.0853 2.3990 2.3990 3.2128 3.2128 3.2627 3.2627 3.3757 3.3757 3.5783 3.5783 3.6135 3.6135 5.2509 5.2509 5.2562 5.2562 5.2833 5.2833 5.8484 5.8484 5.8965 5.8965 6.0361 6.0361 7.7352 7.7352 7.8822 7.8822 7.9202 7.9202 8.3115 8.3115 8.3170 8.3170 9.0875 9.0875 10.6075 10.6075 10.9826 10.9826 11.5364 11.5364 11.6250 11.6250 12.0169 12.0169 k = 0.1630 0.1630 0.1630 ( 7241 PWs) bands (ev): -5.8403 -5.8403 -3.7426 -3.7426 -3.7216 -3.7216 -3.7197 -3.7197 -1.8972 -1.8972 -1.8969 -1.8969 -1.5547 -1.5547 -1.2562 -1.2562 0.5876 0.5876 0.6041 0.6041 1.1330 1.1330 2.3243 2.3243 3.2552 3.2552 3.3067 3.3067 3.3673 3.3673 3.6036 3.6036 3.6410 3.6410 5.2821 5.2821 5.2875 5.2875 5.3197 5.3197 5.9318 5.9318 5.9766 5.9766 6.1068 6.1068 7.6572 7.6572 7.7875 7.7875 7.8195 7.8195 8.3225 8.3225 8.3251 8.3251 9.0959 9.0959 10.5446 10.5446 10.8563 10.8563 11.4283 11.4283 11.5127 11.5127 12.0512 12.0512 k = 0.1739 0.1739 0.1739 ( 7241 PWs) bands (ev): -5.8008 -5.8008 -3.7667 -3.7667 -3.7449 -3.7449 -3.7430 -3.7430 -1.9122 -1.9122 -1.9120 -1.9120 -1.5412 -1.5412 -1.3070 -1.3070 0.6133 0.6133 0.6290 0.6290 1.1821 1.1821 2.2484 2.2484 3.2985 3.2985 3.3526 3.3526 3.3689 3.3689 3.6321 3.6321 3.6716 3.6716 5.3021 5.3021 5.3078 5.3078 5.3449 5.3449 6.0296 6.0296 6.0706 6.0706 6.1870 6.1870 7.5706 7.5706 7.6861 7.6861 7.7141 7.7141 8.3311 8.3311 8.3398 8.3398 9.1078 9.1078 10.4643 10.4643 10.7465 10.7465 11.3150 11.3150 11.3943 11.3943 12.0797 12.0797 k = 0.1848 0.1848 0.1848 ( 7241 PWs) bands (ev): -5.7589 -5.7589 -3.7899 -3.7899 -3.7675 -3.7675 -3.7656 -3.7656 -1.9321 -1.9321 -1.9320 -1.9320 -1.5498 -1.5498 -1.3403 -1.3403 0.6462 0.6462 0.6611 0.6611 1.2326 1.2326 2.1733 2.1733 3.3403 3.3403 3.3822 3.3822 3.4003 3.4003 3.6638 3.6638 3.7050 3.7050 5.3136 5.3136 5.3200 5.3200 5.3612 5.3612 6.1373 6.1373 6.1748 6.1748 6.2735 6.2735 7.4775 7.4775 7.5818 7.5818 7.6072 7.6072 8.3386 8.3386 8.3522 8.3522 9.1198 9.1198 10.3692 10.3692 10.6581 10.6581 11.1977 11.1977 11.2712 11.2712 12.0705 12.0705 k = 0.1957 0.1957 0.1957 ( 7259 PWs) bands (ev): -5.7145 -5.7145 -3.8121 -3.8121 -3.7892 -3.7892 -3.7874 -3.7874 -1.9566 -1.9566 -1.9565 -1.9565 -1.5849 -1.5849 -1.3524 -1.3524 0.6861 0.6861 0.7003 0.7003 1.2842 1.2842 2.1008 2.1008 3.3740 3.3740 3.4126 3.4126 3.4497 3.4497 3.6986 3.6986 3.7415 3.7415 5.3194 5.3194 5.3267 5.3267 5.3706 5.3706 6.2506 6.2506 6.2856 6.2856 6.3627 6.3627 7.3799 7.3799 7.4771 7.4771 7.5007 7.5007 8.3426 8.3426 8.3604 8.3604 9.1289 9.1289 10.2632 10.2632 10.5937 10.5937 11.0772 11.0772 11.1443 11.1443 11.9962 11.9962 k = 0.2065 0.2065 0.2065 ( 7253 PWs) bands (ev): -5.6677 -5.6677 -3.8333 -3.8333 -3.8100 -3.8100 -3.8082 -3.8082 -1.9855 -1.9855 -1.9854 -1.9854 -1.6385 -1.6385 -1.3521 -1.3521 0.7328 0.7328 0.7464 0.7464 1.3371 1.3371 2.0329 2.0329 3.4019 3.4019 3.4571 3.4571 3.5006 3.5006 3.7365 3.7365 3.7809 3.7809 5.3216 5.3216 5.3298 5.3298 5.3751 5.3751 6.3653 6.3653 6.3993 6.3993 6.4507 6.4507 7.2803 7.2803 7.3740 7.3740 7.3961 7.3961 8.3416 8.3416 8.3632 8.3632 9.1333 9.1333 10.1514 10.1514 10.5531 10.5531 10.9540 10.9540 11.0147 11.0147 11.9131 11.9131 k = 0.2174 0.2174 0.2174 ( 7256 PWs) bands (ev): -5.6185 -5.6185 -3.8532 -3.8532 -3.8298 -3.8298 -3.8281 -3.8281 -2.0184 -2.0184 -2.0181 -2.0181 -1.7011 -1.7011 -1.3493 -1.3493 0.7860 0.7860 0.7990 0.7990 1.3910 1.3910 1.9711 1.9711 3.4319 3.4319 3.5069 3.5069 3.5530 3.5530 3.7776 3.7776 3.8233 3.8233 5.3218 5.3218 5.3308 5.3308 5.3759 5.3759 6.4749 6.4749 6.5118 6.5118 6.5340 6.5340 7.1815 7.1815 7.2751 7.2751 7.2959 7.2959 8.3346 8.3346 8.3596 8.3596 9.1326 9.1326 10.0380 10.0380 10.5343 10.5343 10.8287 10.8287 10.8830 10.8830 11.8316 11.8316 k = 0.2283 0.2283 0.2283 ( 7256 PWs) bands (ev): -5.5669 -5.5669 -3.8719 -3.8719 -3.8484 -3.8484 -3.8467 -3.8467 -2.0548 -2.0548 -2.0544 -2.0544 -1.7680 -1.7680 -1.3498 -1.3498 0.8453 0.8453 0.8579 0.8579 1.4460 1.4460 1.9170 1.9170 3.4664 3.4664 3.5590 3.5590 3.6066 3.6066 3.8220 3.8220 3.8688 3.8688 5.3209 5.3209 5.3308 5.3308 5.3744 5.3744 6.5629 6.5629 6.6150 6.6150 6.6167 6.6167 7.0885 7.0885 7.1858 7.1858 7.2047 7.2047 8.3209 8.3209 8.3492 8.3492 9.1282 9.1282 9.9263 9.9263 10.5347 10.5347 10.7020 10.7020 10.7501 10.7501 11.7516 11.7516 k = 0.2391 0.2391 0.2391 ( 7259 PWs) bands (ev): -5.5130 -5.5130 -3.8891 -3.8891 -3.8659 -3.8659 -3.8642 -3.8642 -2.0942 -2.0942 -2.0938 -2.0938 -1.8365 -1.8365 -1.3562 -1.3562 0.9102 0.9102 0.9225 0.9225 1.5017 1.5017 1.8718 1.8718 3.5053 3.5053 3.6125 3.6125 3.6612 3.6612 3.8696 3.8696 3.9173 3.9173 5.3198 5.3198 5.3304 5.3304 5.3714 5.3714 6.6060 6.6060 6.6919 6.6919 6.7009 6.7009 7.0100 7.0100 7.1180 7.1180 7.1340 7.1340 8.3004 8.3004 8.3316 8.3316 9.1228 9.1228 9.8190 9.8190 10.5493 10.5493 10.5749 10.5749 10.6165 10.6165 11.6717 11.6717 k = 0.2500 0.2500 0.2500 ( 7256 PWs) bands (ev): -5.4568 -5.4568 -3.9050 -3.9050 -3.8820 -3.8820 -3.8804 -3.8804 -2.1361 -2.1361 -2.1357 -2.1357 -1.9057 -1.9057 -1.3704 -1.3704 0.9803 0.9803 0.9923 0.9923 1.5580 1.5580 1.8368 1.8368 3.5486 3.5486 3.6670 3.6670 3.7166 3.7166 3.9205 3.9205 3.9689 3.9689 5.3189 5.3189 5.3304 5.3304 5.3676 5.3676 6.5979 6.5979 6.7290 6.7290 6.7379 6.7379 6.9605 6.9605 7.0950 7.0950 7.1088 7.1088 8.2729 8.2729 8.3070 8.3070 9.1188 9.1188 9.7191 9.7191 10.4460 10.4460 10.4829 10.4829 10.5737 10.5737 11.5911 11.5911 k = 0.2609 0.2609 0.2609 ( 7253 PWs) bands (ev): -5.3984 -5.3984 -3.9195 -3.9195 -3.8969 -3.8969 -3.8953 -3.8953 -2.1801 -2.1801 -2.1796 -2.1796 -1.9746 -1.9746 -1.3932 -1.3932 1.0550 1.0550 1.0668 1.0668 1.6145 1.6145 1.8128 1.8128 3.5958 3.5958 3.7221 3.7221 3.7726 3.7726 3.9747 3.9747 4.0235 4.0235 5.3186 5.3186 5.3309 5.3309 5.3636 5.3636 6.5425 6.5425 6.6995 6.6995 6.7100 6.7100 6.9457 6.9457 7.1300 7.1300 7.1453 7.1453 8.2387 8.2387 8.2756 8.2756 9.1170 9.1170 9.6312 9.6312 10.3179 10.3179 10.3497 10.3497 10.5970 10.5970 11.5103 11.5103 k = 0.2717 0.2717 0.2717 ( 7265 PWs) bands (ev): -5.3377 -5.3377 -3.9325 -3.9325 -3.9105 -3.9105 -3.9089 -3.9089 -2.2256 -2.2256 -2.2251 -2.2251 -2.0429 -2.0429 -1.4250 -1.4250 1.1337 1.1337 1.1454 1.1454 1.6701 1.6701 1.8014 1.8014 3.6465 3.6465 3.7776 3.7776 3.8290 3.8290 4.0321 4.0321 4.0811 4.0811 5.3192 5.3192 5.3324 5.3324 5.3600 5.3600 6.4572 6.4572 6.6279 6.6279 6.6406 6.6406 6.9428 6.9428 7.2005 7.2005 7.2180 7.2180 8.1985 8.1985 8.2380 8.2380 9.1134 9.1134 9.5632 9.5632 10.1901 10.1901 10.2172 10.2172 10.6077 10.6077 11.4324 11.4324 k = 0.2826 0.2826 0.2826 ( 7250 PWs) bands (ev): -5.2749 -5.2749 -3.9440 -3.9440 -3.9227 -3.9227 -3.9211 -3.9211 -2.2722 -2.2722 -2.2717 -2.2717 -2.1102 -2.1102 -1.4658 -1.4658 1.2160 1.2160 1.2277 1.2277 1.7217 1.7217 1.8053 1.8053 3.7003 3.7003 3.8332 3.8332 3.8855 3.8855 4.0927 4.0927 4.1417 4.1417 5.3207 5.3207 5.3351 5.3351 5.3570 5.3570 6.3572 6.3572 6.5408 6.5408 6.5547 6.5547 6.9337 6.9337 7.2809 7.2809 7.3003 7.3003 8.1530 8.1530 8.1948 8.1948 9.0984 9.0984 9.5267 9.5267 10.0627 10.0627 10.0856 10.0856 10.5906 10.5906 11.3621 11.3621 k = 0.2935 0.2935 0.2935 ( 7262 PWs) bands (ev): -5.2099 -5.2099 -3.9541 -3.9541 -3.9335 -3.9335 -3.9320 -3.9320 -2.3194 -2.3194 -2.3190 -2.3190 -2.1762 -2.1762 -1.5155 -1.5155 1.3013 1.3013 1.3131 1.3131 1.7624 1.7624 1.8312 1.8312 3.7567 3.7567 3.8886 3.8886 3.9419 3.9419 4.1562 4.1562 4.2050 4.2050 5.3232 5.3232 5.3391 5.3391 5.3549 5.3549 6.2507 6.2507 6.4485 6.4485 6.4628 6.4628 6.9120 6.9120 7.3583 7.3583 7.3796 7.3796 8.1033 8.1033 8.1471 8.1471 9.0629 9.0629 9.5311 9.5311 9.9359 9.9359 9.9551 9.9551 10.5353 10.5353 11.2987 11.2987 k = 0.3043 0.3043 0.3043 ( 7274 PWs) bands (ev): -5.1430 -5.1430 -3.9627 -3.9627 -3.9430 -3.9430 -3.9415 -3.9415 -2.3669 -2.3669 -2.3665 -2.3665 -2.2406 -2.2406 -1.5734 -1.5734 1.3890 1.3890 1.4011 1.4011 1.7929 1.7929 1.8778 1.8778 3.8152 3.8152 3.9438 3.9438 3.9979 3.9979 4.2226 4.2226 4.2710 4.2710 5.3265 5.3265 5.3446 5.3446 5.3541 5.3541 6.1417 6.1417 6.3549 6.3549 6.3692 6.3692 6.8765 6.8765 7.4262 7.4262 7.4497 7.4497 8.0503 8.0503 8.0959 8.0959 9.0076 9.0076 9.5727 9.5727 9.8100 9.8100 9.8256 9.8256 10.4456 10.4456 11.2441 11.2441 k = 0.3152 0.3152 0.3152 ( 7268 PWs) bands (ev): -5.0740 -5.0740 -3.9699 -3.9699 -3.9512 -3.9512 -3.9498 -3.9498 -2.4142 -2.4142 -2.4139 -2.4139 -2.3034 -2.3034 -1.6389 -1.6389 1.4788 1.4788 1.4910 1.4910 1.8240 1.8240 1.9333 1.9333 3.8752 3.8752 3.9984 3.9984 4.0533 4.0533 4.2914 4.2914 4.3393 4.3393 5.3303 5.3303 5.3515 5.3515 5.3546 5.3546 6.0330 6.0330 6.2617 6.2617 6.2759 6.2759 6.8283 6.8283 7.4807 7.4807 7.5068 7.5068 7.9955 7.9955 8.0423 8.0423 8.9405 8.9405 9.6330 9.6330 9.6881 9.6881 9.6970 9.6970 10.3382 10.3382 11.2032 11.2032 k = 0.3261 0.3261 0.3261 ( 7262 PWs) bands (ev): -5.0033 -5.0033 -3.9758 -3.9758 -3.9581 -3.9581 -3.9567 -3.9567 -2.4610 -2.4610 -2.4608 -2.4608 -2.3641 -2.3641 -1.7112 -1.7112 1.5699 1.5699 1.5825 1.5825 1.8607 1.8607 1.9918 1.9918 3.9362 3.9362 4.0523 4.0523 4.1079 4.1079 4.3624 4.3624 4.4096 4.4096 5.3333 5.3333 5.3570 5.3570 5.3601 5.3601 5.9269 5.9269 6.1703 6.1703 6.1842 6.1842 6.7694 6.7694 7.5190 7.5190 7.5482 7.5482 7.9401 7.9401 7.9878 7.9878 8.8685 8.8685 9.5557 9.5557 9.5694 9.5694 9.7026 9.7026 10.2397 10.2397 11.1795 11.1795 k = 0.3370 0.3370 0.3370 ( 7268 PWs) bands (ev): -4.9307 -4.9307 -3.9802 -3.9802 -3.9638 -3.9638 -3.9624 -3.9624 -2.5070 -2.5070 -2.5068 -2.5068 -2.4228 -2.4228 -1.7893 -1.7893 1.6619 1.6619 1.6750 1.6750 1.9038 1.9038 2.0511 2.0511 3.9975 3.9975 4.1051 4.1051 4.1612 4.1612 4.4350 4.4350 4.4815 4.4815 5.3330 5.3330 5.3617 5.3617 5.3700 5.3700 5.8264 5.8264 6.0814 6.0814 6.0950 6.0950 6.7024 6.7024 7.5395 7.5395 7.5722 7.5722 7.8855 7.8855 7.9336 7.9336 8.7958 8.7958 9.4317 9.4317 9.4427 9.4427 9.7194 9.7194 10.1950 10.1950 11.1752 11.1752 k = 0.3478 0.3478 0.3478 ( 7259 PWs) bands (ev): -4.8566 -4.8566 -3.9835 -3.9835 -3.9683 -3.9683 -3.9669 -3.9669 -2.5519 -2.5519 -2.5517 -2.5517 -2.4791 -2.4791 -1.8724 -1.8724 1.7542 1.7542 1.7679 1.7679 1.9530 1.9530 2.1105 2.1105 4.0583 4.0583 4.1565 4.1565 4.2130 4.2130 4.5087 4.5087 4.5545 4.5545 5.3254 5.3254 5.3689 5.3689 5.3812 5.3812 5.7361 5.7361 5.9962 5.9962 6.0093 6.0093 6.6295 6.6295 7.5418 7.5418 7.5780 7.5780 7.8324 7.8324 7.8806 7.8806 8.7246 8.7246 9.3080 9.3080 9.3173 9.3173 9.6562 9.6562 10.2406 10.2406 11.1914 11.1914 k = 0.3587 0.3587 0.3587 ( 7277 PWs) bands (ev): -4.7811 -4.7811 -3.9855 -3.9855 -3.9717 -3.9717 -3.9703 -3.9703 -2.5952 -2.5952 -2.5951 -2.5951 -2.5328 -2.5328 -1.9593 -1.9593 1.8462 1.8462 1.8605 1.8605 2.0075 2.0075 2.1694 2.1694 4.1179 4.1179 4.2063 4.2063 4.2628 4.2628 4.5829 4.5829 4.6279 4.6279 5.3044 5.3044 5.3777 5.3777 5.3930 5.3930 5.6635 5.6635 5.9159 5.9159 5.9284 5.9284 6.5529 6.5529 7.5270 7.5270 7.5668 7.5668 7.7809 7.7809 7.8292 7.8292 8.6563 8.6563 9.1854 9.1854 9.1934 9.1934 9.5380 9.5380 10.3511 10.3511 11.2280 11.2280 k = 0.3696 0.3696 0.3696 ( 7277 PWs) bands (ev): -4.7044 -4.7044 -3.9865 -3.9865 -3.9740 -3.9740 -3.9727 -3.9727 -2.6369 -2.6369 -2.6368 -2.6368 -2.5839 -2.5839 -2.0493 -2.0493 1.9372 1.9372 1.9523 1.9523 2.0662 2.0662 2.2273 2.2273 4.1755 4.1755 4.2540 4.2540 4.3101 4.3101 4.6566 4.6566 4.7011 4.7011 5.2631 5.2631 5.3863 5.3863 5.4046 5.4046 5.6167 5.6167 5.8426 5.8426 5.8542 5.8542 6.4745 6.4745 7.4984 7.4984 7.5410 7.5410 7.7295 7.7295 7.7785 7.7785 8.5916 8.5916 9.0650 9.0650 9.0717 9.0717 9.3981 9.3981 10.4931 10.4931 11.2842 11.2842 k = 0.3804 0.3804 0.3804 ( 7277 PWs) bands (ev): -4.6267 -4.6267 -3.9865 -3.9865 -3.9755 -3.9755 -3.9742 -3.9742 -2.6765 -2.6765 -2.6764 -2.6764 -2.6320 -2.6320 -2.1414 -2.1414 2.0264 2.0264 2.0426 2.0426 2.1284 2.1284 2.2838 2.2838 4.2302 4.2302 4.2990 4.2990 4.3544 4.3544 4.7288 4.7288 4.7731 4.7731 5.2008 5.2008 5.3926 5.3926 5.4138 5.4138 5.5977 5.5977 5.7792 5.7792 5.7896 5.7896 6.3961 6.3961 7.4602 7.4602 7.5046 7.5046 7.6765 7.6765 7.7269 7.7269 8.5310 8.5310 8.9477 8.9477 8.9532 8.9532 9.2514 9.2514 10.6516 10.6516 11.3581 11.3581 k = 0.3913 0.3913 0.3913 ( 7289 PWs) bands (ev): -4.5484 -4.5484 -3.9856 -3.9856 -3.9761 -3.9761 -3.9748 -3.9748 -2.7138 -2.7138 -2.7138 -2.7138 -2.6771 -2.6771 -2.2346 -2.2346 2.1131 2.1131 2.1306 2.1306 2.1929 2.1929 2.3383 2.3383 4.2812 4.2812 4.3410 4.3410 4.3950 4.3950 4.7979 4.7979 4.8429 4.8429 5.1249 5.1249 5.3929 5.3929 5.4172 5.4172 5.6002 5.6002 5.7302 5.7302 5.7389 5.7389 6.3191 6.3191 7.4164 7.4164 7.4617 7.4617 7.6204 7.6204 7.6730 7.6730 8.4749 8.4749 8.8345 8.8345 8.8387 8.8387 9.1046 9.1046 10.8200 10.8200 11.4474 11.4474 k = 0.4022 0.4022 0.4022 ( 7283 PWs) bands (ev): -4.4700 -4.4700 -3.9841 -3.9841 -3.9760 -3.9760 -3.9748 -3.9748 -2.7486 -2.7486 -2.7486 -2.7486 -2.7188 -2.7188 -2.3280 -2.3280 2.1964 2.1964 2.2154 2.2154 2.2586 2.2586 2.3903 2.3903 4.3279 4.3279 4.3793 4.3793 4.4313 4.4313 4.8603 4.8603 4.9094 4.9094 5.0458 5.0458 5.3830 5.3830 5.4105 5.4105 5.6169 5.6169 5.7009 5.7009 5.7075 5.7075 6.2450 6.2450 7.3704 7.3704 7.4156 7.4156 7.5606 7.5606 7.6165 7.6165 8.4236 8.4236 8.7269 8.7269 8.7296 8.7296 8.9612 8.9612 10.9947 10.9947 11.5497 11.5497 k = 0.4130 0.4130 0.4130 ( 7286 PWs) bands (ev): -4.3920 -4.3920 -3.9820 -3.9820 -3.9754 -3.9754 -3.9741 -3.9741 -2.7806 -2.7806 -2.7805 -2.7805 -2.7569 -2.7569 -2.4204 -2.4204 2.2752 2.2752 2.2962 2.2962 2.3245 2.3245 2.4394 2.4394 4.3696 4.3696 4.4134 4.4134 4.4626 4.4626 4.8961 4.8961 4.9715 4.9715 4.9876 4.9876 5.3612 5.3612 5.3915 5.3915 5.6419 5.6419 5.6943 5.6943 5.6985 5.6985 6.1750 6.1750 7.3247 7.3247 7.3687 7.3687 7.4976 7.4976 7.5577 7.5577 8.3772 8.3772 8.6261 8.6261 8.6272 8.6272 8.8237 8.8237 11.1738 11.1738 11.6621 11.6621 k = 0.4239 0.4239 0.4239 ( 7292 PWs) bands (ev): -4.3153 -4.3153 -3.9796 -3.9796 -3.9744 -3.9744 -3.9731 -3.9731 -2.8095 -2.8095 -2.8094 -2.8094 -2.7913 -2.7913 -2.5108 -2.5108 2.3484 2.3484 2.3719 2.3719 2.3892 2.3892 2.4849 2.4849 4.4056 4.4056 4.4432 4.4432 4.4885 4.4885 4.8506 4.8506 5.0074 5.0074 5.0278 5.0278 5.3307 5.3307 5.3637 5.3637 5.6717 5.6717 5.7081 5.7081 5.7090 5.7090 6.1101 6.1101 7.2810 7.2810 7.3228 7.3228 7.4325 7.4325 7.4980 7.4980 8.3360 8.3360 8.5327 8.5327 8.5333 8.5333 8.6944 8.6944 11.3554 11.3554 11.7819 11.7819 k = 0.4348 0.4348 0.4348 ( 7280 PWs) bands (ev): -4.2409 -4.2409 -3.9770 -3.9770 -3.9731 -3.9731 -3.9718 -3.9718 -2.8352 -2.8352 -2.8350 -2.8350 -2.8217 -2.8217 -2.5976 -2.5976 2.4150 2.4150 2.4413 2.4413 2.4510 2.4510 2.5263 2.5263 4.4353 4.4353 4.4685 4.4685 4.5086 4.5086 4.7791 4.7791 5.0515 5.0515 5.0771 5.0771 5.2971 5.2971 5.3333 5.3333 5.7045 5.7045 5.7330 5.7330 5.7358 5.7358 6.0516 6.0516 7.2408 7.2408 7.2790 7.2790 7.3671 7.3671 7.4393 7.4393 8.3000 8.3000 8.4476 8.4476 8.4501 8.4501 8.5754 8.5754 11.5384 11.5384 11.9062 11.9062 k = 0.4457 0.4457 0.4457 ( 7277 PWs) bands (ev): -4.1703 -4.1703 -3.9744 -3.9744 -3.9717 -3.9717 -3.9704 -3.9704 -2.8573 -2.8573 -2.8571 -2.8571 -2.8478 -2.8478 -2.6791 -2.6791 2.4740 2.4740 2.5033 2.5033 2.5082 2.5082 2.5631 2.5631 4.4581 4.4581 4.4898 4.4898 4.5230 4.5230 4.7105 4.7105 5.0925 5.0925 5.1184 5.1184 5.2650 5.2650 5.3054 5.3054 5.7398 5.7398 5.7647 5.7647 5.7697 5.7697 6.0004 6.0004 7.2050 7.2050 7.2380 7.2380 7.3034 7.3034 7.3840 7.3840 8.2693 8.2693 8.3732 8.3732 8.3774 8.3774 8.4688 8.4688 11.7213 11.7213 12.0320 12.0320 k = 0.4565 0.4565 0.4565 ( 7283 PWs) bands (ev): -4.1056 -4.1056 -3.9720 -3.9720 -3.9703 -3.9703 -3.9690 -3.9690 -2.8758 -2.8758 -2.8755 -2.8755 -2.8696 -2.8696 -2.7531 -2.7531 2.5242 2.5242 2.5564 2.5564 2.5585 2.5585 2.5947 2.5947 4.4737 4.4737 4.5076 4.5076 4.5323 4.5323 4.6503 4.6503 5.1267 5.1267 5.1504 5.1504 5.2373 5.2373 5.2836 5.2836 5.7760 5.7760 5.7992 5.7992 5.8044 5.8044 5.9573 5.9573 7.1745 7.1745 7.2007 7.2007 7.2443 7.2443 7.3349 7.3349 8.2440 8.2440 8.3106 8.3106 8.3163 8.3163 8.3771 8.3771 11.9030 11.9030 12.1560 12.1560 k = 0.4674 0.4674 0.4674 ( 7286 PWs) bands (ev): -4.0494 -4.0494 -3.9700 -3.9700 -3.9691 -3.9691 -3.9677 -3.9677 -2.8903 -2.8903 -2.8900 -2.8900 -2.8867 -2.8867 -2.8167 -2.8167 2.5645 2.5645 2.5995 2.5995 2.6002 2.6002 2.6206 2.6206 4.4827 4.4827 4.5218 4.5218 4.5374 4.5374 4.6014 4.6014 5.1534 5.1534 5.1719 5.1719 5.2154 5.2154 5.2701 5.2701 5.8095 5.8095 5.8321 5.8321 5.8359 5.8359 5.9234 5.9234 7.1501 7.1501 7.1678 7.1678 7.1928 7.1928 7.2948 7.2948 8.2240 8.2240 8.2608 8.2608 8.2677 8.2677 8.3029 8.3029 12.0818 12.0818 12.2747 12.2747 k = 0.4783 0.4783 0.4783 ( 7265 PWs) bands (ev): -4.0053 -4.0053 -3.9685 -3.9685 -3.9681 -3.9681 -3.9666 -3.9666 -2.9008 -2.9008 -2.9005 -2.9005 -2.8991 -2.8991 -2.8662 -2.8662 2.5935 2.5935 2.6313 2.6313 2.6314 2.6314 2.6404 2.6404 4.4860 4.4860 4.5321 4.5321 4.5397 4.5397 4.5664 4.5664 5.1724 5.1724 5.1829 5.1829 5.1998 5.1998 5.2651 5.2651 5.8361 5.8361 5.8594 5.8594 5.8613 5.8613 5.8994 5.8994 7.1322 7.1322 7.1413 7.1413 7.1525 7.1525 7.2654 7.2654 8.2091 8.2091 8.2247 8.2247 8.2312 8.2312 8.2496 8.2496 12.2552 12.2552 12.3837 12.3837 k = 0.4891 0.4891 0.4891 ( 7229 PWs) bands (ev): -3.9767 -3.9767 -3.9676 -3.9676 -3.9675 -3.9675 -3.9658 -3.9658 -2.9071 -2.9071 -2.9069 -2.9069 -2.9065 -2.9065 -2.8981 -2.8981 2.6109 2.6109 2.6508 2.6508 2.6508 2.6508 2.6530 2.6530 4.4853 4.4853 4.5384 4.5384 4.5404 4.5404 4.5465 4.5465 5.1837 5.1837 5.1867 5.1867 5.1905 5.1905 5.2651 5.2651 5.8518 5.8518 5.8775 5.8775 5.8780 5.8780 5.8867 5.8867 7.1213 7.1213 7.1238 7.1238 7.1266 7.1266 7.2478 7.2478 8.1992 8.1992 8.2028 8.2028 8.2054 8.2054 8.2213 8.2213 12.4171 12.4172 12.4748 12.4748 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9651 -3.9651 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9086 -2.9086 2.6166 2.6166 2.6573 2.6573 2.6573 2.6573 2.6573 2.6573 4.4843 4.4843 4.5405 4.5405 4.5405 4.5405 4.5405 4.5405 5.1874 5.1874 5.1874 5.1874 5.1874 5.1874 5.2657 5.2657 5.8559 5.8559 5.8838 5.8838 5.8838 5.8838 5.8838 5.8838 7.1176 7.1176 7.1176 7.1176 7.1176 7.1176 7.2419 7.2419 8.1954 8.1954 8.1954 8.1954 8.1954 8.1954 8.2136 8.2136 12.5160 12.5160 12.5354 12.5354 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9651 -3.9651 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9086 -2.9086 2.6166 2.6166 2.6573 2.6573 2.6573 2.6573 2.6573 2.6573 4.4843 4.4843 4.5405 4.5405 4.5405 4.5405 4.5405 4.5405 5.1874 5.1874 5.1874 5.1874 5.1874 5.1874 5.2657 5.2657 5.8559 5.8559 5.8838 5.8838 5.8838 5.8838 5.8838 5.8838 7.1176 7.1176 7.1176 7.1176 7.1176 7.1176 7.2419 7.2419 8.1954 8.1954 8.1954 8.1954 8.1954 8.1954 8.2136 8.2136 12.5160 12.5160 12.5354 12.5354 k = 0.4865 0.5000 0.4865 ( 7230 PWs) bands (ev): -3.9738 -3.9738 -3.9729 -3.9729 -3.9663 -3.9663 -3.9650 -3.9650 -2.9081 -2.9081 -2.9078 -2.9078 -2.9012 -2.9012 -2.9009 -2.9009 2.6107 2.6107 2.6502 2.6502 2.6513 2.6513 2.6524 2.6524 4.4854 4.4854 4.5380 4.5380 4.5420 4.5420 4.5454 4.5454 5.1840 5.1840 5.1869 5.1869 5.1901 5.1901 5.2650 5.2650 5.8517 5.8517 5.8762 5.8762 5.8809 5.8809 5.8847 5.8847 7.1218 7.1218 7.1239 7.1239 7.1265 7.1265 7.2479 7.2479 8.2000 8.2000 8.2025 8.2025 8.2056 8.2056 8.2214 8.2214 12.4264 12.4264 12.4528 12.4528 k = 0.4730 0.5000 0.4730 ( 7266 PWs) bands (ev): -3.9927 -3.9927 -3.9917 -3.9917 -3.9633 -3.9633 -3.9622 -3.9622 -2.9046 -2.9046 -2.9043 -2.9043 -2.8779 -2.8779 -2.8776 -2.8776 2.5929 2.5929 2.6292 2.6292 2.6339 2.6339 2.6378 2.6378 4.4861 4.4861 4.5305 4.5305 4.5483 4.5483 4.5596 4.5596 5.1739 5.1739 5.1840 5.1840 5.1978 5.1978 5.2645 5.2645 5.8344 5.8344 5.8543 5.8543 5.8786 5.8786 5.8874 5.8874 7.1340 7.1340 7.1419 7.1419 7.1523 7.1523 7.2659 7.2659 8.2138 8.2138 8.2203 8.2203 8.2360 8.2360 8.2481 8.2481 12.2811 12.2811 12.3177 12.3177 k = 0.4595 0.5000 0.4595 ( 7272 PWs) bands (ev): -4.0225 -4.0225 -4.0215 -4.0215 -3.9583 -3.9583 -3.9572 -3.9572 -2.8987 -2.8987 -2.8984 -2.8984 -2.8408 -2.8408 -2.8406 -2.8406 2.5630 2.5630 2.5952 2.5952 2.6064 2.6064 2.6137 2.6137 4.4813 4.4813 4.5177 4.5177 4.5629 4.5629 4.5817 4.5817 5.1580 5.1580 5.1760 5.1760 5.2102 5.2102 5.2672 5.2672 5.8028 5.8028 5.8214 5.8214 5.8814 5.8814 5.8921 5.8921 7.1535 7.1535 7.1691 7.1691 7.1927 7.1927 7.2955 7.2955 8.2367 8.2367 8.2454 8.2454 8.2858 8.2858 8.2960 8.2960 12.1257 12.1257 12.1647 12.1647 k = 0.4459 0.5000 0.4459 ( 7272 PWs) bands (ev): -4.0610 -4.0610 -4.0600 -4.0600 -3.9514 -3.9514 -3.9503 -3.9503 -2.8906 -2.8906 -2.8902 -2.8902 -2.7921 -2.7921 -2.7919 -2.7919 2.5212 2.5212 2.5499 2.5499 2.5705 2.5705 2.5807 2.5807 4.4688 4.4688 4.4992 4.4992 4.5854 4.5854 4.6096 4.6096 5.1374 5.1374 5.1615 5.1615 5.2261 5.2261 5.2747 5.2747 5.7637 5.7637 5.7822 5.7822 5.8881 5.8881 5.8993 5.8993 7.1793 7.1793 7.2028 7.2028 7.2444 7.2444 7.3355 7.3355 8.2687 8.2687 8.2789 8.2789 8.3536 8.3536 8.3629 8.3629 11.9652 11.9652 12.0048 12.0048 k = 0.4324 0.5000 0.4324 ( 7274 PWs) bands (ev): -4.1061 -4.1061 -4.1052 -4.1052 -3.9425 -3.9425 -3.9414 -3.9414 -2.8801 -2.8801 -2.8798 -2.8798 -2.7341 -2.7341 -2.7339 -2.7339 2.4689 2.4689 2.4947 2.4947 2.5272 2.5272 2.5394 2.5394 4.4488 4.4488 4.4748 4.4748 4.6123 4.6123 4.6407 4.6407 5.1138 5.1138 5.1418 5.1418 5.2426 5.2426 5.2840 5.2840 5.7254 5.7254 5.7434 5.7434 5.8982 5.8982 5.9092 5.9092 7.2103 7.2103 7.2406 7.2406 7.3041 7.3041 7.3841 7.3841 8.3094 8.3094 8.3209 8.3209 8.4380 8.4380 8.4466 8.4466 11.8030 11.8030 11.8422 11.8422 k = 0.4189 0.5000 0.4189 ( 7284 PWs) bands (ev): -4.1560 -4.1560 -4.1552 -4.1552 -3.9317 -3.9317 -3.9306 -3.9306 -2.8673 -2.8673 -2.8670 -2.8670 -2.6687 -2.6687 -2.6685 -2.6685 2.4078 2.4078 2.4316 2.4316 2.4771 2.4771 2.4904 2.4904 4.4221 4.4221 4.4446 4.4446 4.6402 4.6402 4.6721 4.6721 5.0889 5.0889 5.1194 5.1194 5.2544 5.2544 5.2883 5.2883 5.6978 5.6978 5.7136 5.7136 5.9116 5.9116 5.9220 5.9220 7.2456 7.2456 7.2813 7.2813 7.3685 7.3685 7.4385 7.4385 8.3586 8.3586 8.3714 8.3714 8.5370 8.5370 8.5451 8.5451 11.6416 11.6416 11.6799 11.6799 k = 0.4054 0.5000 0.4054 ( 7292 PWs) bands (ev): -4.2091 -4.2091 -4.2083 -4.2083 -3.9190 -3.9190 -3.9179 -3.9179 -2.8522 -2.8522 -2.8519 -2.8519 -2.5976 -2.5976 -2.5975 -2.5975 2.3398 2.3398 2.3621 2.3621 2.4207 2.4207 2.4347 2.4347 4.3892 4.3892 4.4088 4.4088 4.6656 4.6656 4.7008 4.7008 5.0644 5.0644 5.0966 5.0966 5.2547 5.2547 5.2797 5.2797 5.6915 5.6915 5.7027 5.7027 5.9283 5.9283 5.9380 5.9380 7.2842 7.2842 7.3239 7.3239 7.4346 7.4346 7.4958 7.4958 8.4159 8.4159 8.4299 8.4299 8.6489 8.6489 8.6564 8.6564 11.4835 11.4835 11.5206 11.5206 k = 0.3919 0.5000 0.3919 ( 7288 PWs) bands (ev): -4.2642 -4.2642 -4.2635 -4.2635 -3.9044 -3.9044 -3.9033 -3.9033 -2.8349 -2.8349 -2.8346 -2.8346 -2.5224 -2.5224 -2.5222 -2.5222 2.2666 2.2666 2.2876 2.2876 2.3588 2.3588 2.3731 2.3731 4.3507 4.3507 4.3681 4.3681 4.6854 4.6854 4.7233 4.7233 5.0417 5.0417 5.0747 5.0747 5.2391 5.2391 5.2552 5.2552 5.7125 5.7125 5.7179 5.7179 5.9485 5.9485 5.9574 5.9574 7.3253 7.3253 7.3681 7.3681 7.4996 7.4996 7.5529 7.5529 8.4806 8.4806 8.4957 8.4957 8.7716 8.7716 8.7786 8.7786 11.3312 11.3312 11.3667 11.3667 k = 0.3784 0.5000 0.3784 ( 7280 PWs) bands (ev): -4.3204 -4.3204 -4.3197 -4.3197 -3.8879 -3.8879 -3.8868 -3.8868 -2.8154 -2.8154 -2.8150 -2.8150 -2.4441 -2.4441 -2.4440 -2.4440 2.1894 2.1894 2.2094 2.2094 2.2920 2.2920 2.3066 2.3066 4.3076 4.3076 4.3231 4.3231 4.6969 4.6969 4.7366 4.7366 5.0203 5.0203 5.0519 5.0519 5.2118 5.2118 5.2216 5.2216 5.7583 5.7583 5.7589 5.7589 5.9724 5.9724 5.9804 5.9804 7.3679 7.3679 7.4131 7.4131 7.5611 7.5611 7.6072 7.6072 8.5520 8.5520 8.5678 8.5678 8.9035 8.9035 8.9099 8.9099 11.1874 11.1874 11.2208 11.2208 k = 0.3649 0.5000 0.3649 ( 7272 PWs) bands (ev): -4.3769 -4.3769 -4.3763 -4.3763 -3.8697 -3.8697 -3.8686 -3.8686 -2.7936 -2.7936 -2.7932 -2.7932 -2.3639 -2.3639 -2.3637 -2.3637 2.1094 2.1094 2.1283 2.1283 2.2215 2.2215 2.2363 2.2363 4.2605 4.2605 4.2747 4.2747 4.6986 4.6986 4.7387 4.7387 4.9954 4.9954 5.0221 5.0221 5.1849 5.1849 5.1928 5.1928 5.8197 5.8197 5.8223 5.8223 6.0006 6.0006 6.0080 6.0080 7.4111 7.4111 7.4581 7.4581 7.6169 7.6169 7.6564 7.6564 8.6291 8.6291 8.6451 8.6451 9.0427 9.0427 9.0484 9.0484 11.0547 11.0547 11.0855 11.0855 k = 0.3514 0.5000 0.3514 ( 7270 PWs) bands (ev): -4.4332 -4.4332 -4.4326 -4.4326 -3.8497 -3.8497 -3.8486 -3.8486 -2.7697 -2.7697 -2.7692 -2.7692 -2.2825 -2.2825 -2.2822 -2.2822 2.0274 2.0274 2.0452 2.0452 2.1482 2.1482 2.1634 2.1634 4.2106 4.2106 4.2237 4.2237 4.6906 4.6906 4.7300 4.7300 4.9591 4.9591 4.9785 4.9785 5.1717 5.1717 5.1809 5.1809 5.8925 5.8925 5.8970 5.8970 6.0350 6.0350 6.0418 6.0418 7.4536 7.4536 7.5018 7.5018 7.6652 7.6652 7.6984 7.6984 8.7108 8.7108 8.7266 8.7266 9.1875 9.1875 9.1925 9.1925 10.9361 10.9361 10.9635 10.9635 k = 0.3378 0.5000 0.3378 ( 7278 PWs) bands (ev): -4.4889 -4.4889 -4.4883 -4.4883 -3.8280 -3.8280 -3.8269 -3.8269 -2.7436 -2.7436 -2.7432 -2.7432 -2.2008 -2.2008 -2.2004 -2.2004 1.9438 1.9438 1.9604 1.9604 2.0733 2.0733 2.0891 2.0891 4.1586 4.1586 4.1711 4.1711 4.6740 4.6740 4.7126 4.7126 4.9086 4.9086 4.9223 4.9223 5.1768 5.1768 5.1872 5.1872 5.9677 5.9677 5.9732 5.9732 6.0809 6.0809 6.0874 6.0874 7.4932 7.4932 7.5421 7.5421 7.7050 7.7050 7.7325 7.7325 8.7962 8.7962 8.8109 8.8109 9.3361 9.3361 9.3402 9.3402 10.8342 10.8342 10.8576 10.8576 k = 0.3243 0.5000 0.3243 ( 7278 PWs) bands (ev): -4.5435 -4.5435 -4.5430 -4.5430 -3.8047 -3.8047 -3.8036 -3.8036 -2.7155 -2.7155 -2.7150 -2.7150 -2.1196 -2.1196 -2.1191 -2.1191 1.8589 1.8589 1.8742 1.8742 1.9984 1.9984 2.0149 2.0149 4.1053 4.1053 4.1174 4.1174 4.6504 4.6504 4.6890 4.6890 4.8484 4.8484 4.8594 4.8594 5.1961 5.1961 5.2063 5.2063 6.0323 6.0323 6.0376 6.0376 6.1484 6.1484 6.1542 6.1542 7.5264 7.5264 7.5747 7.5747 7.7368 7.7368 7.7596 7.7596 8.8842 8.8842 8.8971 8.8971 9.4863 9.4863 9.4895 9.4895 10.7514 10.7514 10.7703 10.7703 k = 0.3108 0.5000 0.3108 ( 7272 PWs) bands (ev): -4.5969 -4.5969 -4.5964 -4.5964 -3.7798 -3.7798 -3.7788 -3.7788 -2.6853 -2.6853 -2.6848 -2.6848 -2.0396 -2.0396 -2.0391 -2.0391 1.7727 1.7727 1.7866 1.7866 1.9248 1.9248 1.9423 1.9423 4.0514 4.0514 4.0634 4.0634 4.6212 4.6212 4.6612 4.6612 4.7838 4.7838 4.7950 4.7950 5.2241 5.2241 5.2333 5.2333 6.0824 6.0824 6.0874 6.0874 6.2384 6.2384 6.2436 6.2436 7.5477 7.5477 7.5930 7.5930 7.7638 7.7638 7.7841 7.7841 8.9742 8.9742 8.9847 8.9847 9.6358 9.6358 9.6382 9.6382 10.6899 10.6899 10.7036 10.7036 k = 0.2973 0.5000 0.2973 ( 7264 PWs) bands (ev): -4.6488 -4.6488 -4.6483 -4.6483 -3.7535 -3.7535 -3.7525 -3.7525 -2.6532 -2.6532 -2.6526 -2.6526 -1.9616 -1.9616 -1.9610 -1.9610 1.6852 1.6852 1.6976 1.6976 1.8542 1.8542 1.8728 1.8728 3.9976 3.9976 4.0096 4.0096 4.5867 4.5867 4.6299 4.6299 4.7189 4.7189 4.7327 4.7327 5.2574 5.2574 5.2654 5.2654 6.1253 6.1253 6.1307 6.1307 6.3406 6.3406 6.3465 6.3465 7.5499 7.5499 7.5891 7.5891 7.7914 7.7914 7.8119 7.8119 9.0657 9.0657 9.0733 9.0733 9.7814 9.7814 9.7830 9.7830 10.6506 10.6506 10.6591 10.6591 k = 0.2838 0.5000 0.2838 ( 7276 PWs) bands (ev): -4.6991 -4.6991 -4.6986 -4.6986 -3.7259 -3.7259 -3.7248 -3.7248 -2.6191 -2.6191 -2.6185 -2.6185 -1.8865 -1.8865 -1.8857 -1.8857 1.5963 1.5963 1.6073 1.6073 1.7882 1.7882 1.8079 1.8079 3.9443 3.9443 3.9564 3.9564 4.5462 4.5462 4.5934 4.5934 4.6582 4.6582 4.6755 4.6755 5.2939 5.2939 5.3008 5.3008 6.1662 6.1662 6.1726 6.1726 6.4484 6.4484 6.4559 6.4559 7.5280 7.5280 7.5596 7.5596 7.8238 7.8238 7.8457 7.8457 9.1586 9.1586 9.1629 9.1629 9.9191 9.9191 9.9202 9.9202 10.6341 10.6341 10.6376 10.6376 k = 0.2703 0.5000 0.2703 ( 7276 PWs) bands (ev): -4.7475 -4.7475 -4.7471 -4.7471 -3.6969 -3.6969 -3.6959 -3.6959 -2.5832 -2.5832 -2.5826 -2.5826 -1.8149 -1.8149 -1.8139 -1.8139 1.5060 1.5060 1.5157 1.5157 1.7279 1.7279 1.7488 1.7488 3.8918 3.8918 3.9043 3.9043 4.4994 4.4994 4.5471 4.5471 4.6082 4.6082 4.6258 4.6258 5.3325 5.3325 5.3383 5.3383 6.2070 6.2070 6.2148 6.2148 6.5582 6.5582 6.5680 6.5680 7.4822 7.4822 7.5067 7.5067 7.8618 7.8618 7.8843 7.8843 9.2529 9.2529 9.2537 9.2537 10.0434 10.0434 10.0446 10.0446 10.6398 10.6398 10.6402 10.6402 k = 0.2568 0.5000 0.2568 ( 7276 PWs) bands (ev): -4.7941 -4.7941 -4.7937 -4.7937 -3.6669 -3.6669 -3.6658 -3.6658 -2.5456 -2.5456 -2.5450 -2.5450 -1.7476 -1.7476 -1.7465 -1.7465 1.4147 1.4147 1.4232 1.4232 1.6746 1.6746 1.6965 1.6965 3.8404 3.8404 3.8533 3.8533 4.4470 4.4470 4.4907 4.4907 4.5704 4.5704 4.5838 4.5838 5.3724 5.3724 5.3772 5.3772 6.2483 6.2483 6.2577 6.2577 6.6674 6.6674 6.6796 6.6796 7.4161 7.4161 7.4351 7.4351 7.9037 7.9037 7.9253 7.9253 9.3458 9.3458 9.3485 9.3485 10.1484 10.1484 10.1506 10.1506 10.6648 10.6648 10.6676 10.6676 k = 0.2432 0.5000 0.2432 ( 7288 PWs) bands (ev): -4.8386 -4.8386 -4.8383 -4.8383 -3.6358 -3.6358 -3.6348 -3.6348 -2.5064 -2.5064 -2.5057 -2.5057 -1.6856 -1.6856 -1.6843 -1.6843 1.3228 1.3228 1.3303 1.3303 1.6291 1.6291 1.6519 1.6519 3.7905 3.7905 3.8038 3.8038 4.3913 4.3913 4.4305 4.4305 4.5393 4.5393 4.5480 4.5480 5.4130 5.4130 5.4170 5.4170 6.2902 6.2902 6.3016 6.3016 6.7724 6.7724 6.7870 6.7870 7.3352 7.3352 7.3507 7.3507 7.9484 7.9484 7.9674 7.9674 9.4390 9.4390 9.4451 9.4451 10.2303 10.2303 10.2349 10.2349 10.7081 10.7081 10.7116 10.7116 k = 0.2297 0.5000 0.2297 ( 7300 PWs) bands (ev): -4.8811 -4.8811 -4.8808 -4.8808 -3.6039 -3.6039 -3.6029 -3.6029 -2.4656 -2.4656 -2.4649 -2.4649 -1.6294 -1.6294 -1.6280 -1.6280 1.2307 1.2307 1.2373 1.2373 1.5920 1.5920 1.6156 1.6156 3.7421 3.7421 3.7560 3.7560 4.3346 4.3346 4.3703 4.3703 4.5117 4.5117 4.5169 4.5169 5.4541 5.4541 5.4573 5.4573 6.3326 6.3326 6.3464 6.3464 6.8662 6.8662 6.8815 6.8815 7.2484 7.2484 7.2642 7.2642 7.9951 7.9951 8.0101 8.0101 9.5329 9.5329 9.5423 9.5423 10.2909 10.2909 10.2985 10.2985 10.7575 10.7575 10.7606 10.7606 k = 0.2162 0.5000 0.2162 ( 7304 PWs) bands (ev): -4.9214 -4.9214 -4.9211 -4.9211 -3.5713 -3.5713 -3.5703 -3.5703 -2.4234 -2.4234 -2.4227 -2.4227 -1.5797 -1.5797 -1.5782 -1.5782 1.1390 1.1390 1.1448 1.1448 1.5640 1.5640 1.5883 1.5883 3.6953 3.6953 3.7098 3.7098 4.2785 4.2785 4.3116 4.3116 4.4867 4.4867 4.4892 4.4892 5.4952 5.4952 5.4977 5.4977 6.3753 6.3753 6.3918 6.3918 6.9271 6.9271 6.9360 6.9360 7.1791 7.1791 7.2043 7.2043 8.0442 8.0442 8.0538 8.0538 9.6262 9.6262 9.6390 9.6390 10.3365 10.3365 10.3471 10.3471 10.7956 10.7956 10.7980 10.7980 k = 0.2027 0.5000 0.2027 ( 7290 PWs) bands (ev): -4.9594 -4.9594 -4.9592 -4.9592 -3.5383 -3.5383 -3.5373 -3.5373 -2.3800 -2.3800 -2.3792 -2.3792 -1.5372 -1.5372 -1.5355 -1.5355 1.0482 1.0482 1.0534 1.0534 1.5453 1.5453 1.5702 1.5702 3.6503 3.6503 3.6655 3.6655 4.2239 4.2239 4.2551 4.2551 4.4639 4.4639 4.4645 4.4645 5.5360 5.5360 5.5379 5.5379 6.4172 6.4172 6.4374 6.4374 6.9040 6.9040 6.9050 6.9050 7.1785 7.1785 7.2186 7.2186 8.0965 8.0965 8.0994 8.0994 9.7175 9.7175 9.7335 9.7335 10.3740 10.3740 10.3871 10.3871 10.8086 10.8086 10.8105 10.8105 k = 0.1892 0.5000 0.1892 ( 7294 PWs) bands (ev): -4.9952 -4.9952 -4.9950 -4.9950 -3.5050 -3.5050 -3.5040 -3.5040 -2.3355 -2.3355 -2.3346 -2.3346 -1.5021 -1.5021 -1.5003 -1.5003 0.9589 0.9589 0.9636 0.9636 1.5362 1.5362 1.5615 1.5615 3.6071 3.6071 3.6229 3.6229 4.1714 4.1714 4.2010 4.2010 4.4426 4.4426 4.4435 4.4435 5.5762 5.5762 5.5775 5.5775 6.4562 6.4562 6.4819 6.4819 6.8130 6.8130 6.8148 6.8148 7.2330 7.2330 7.2819 7.2819 8.1490 8.1490 8.1536 8.1536 9.8041 9.8041 9.8231 9.8231 10.4093 10.4093 10.4239 10.4239 10.7960 10.7960 10.7982 10.7982 k = 0.1757 0.5000 0.1757 ( 7290 PWs) bands (ev): -5.0287 -5.0287 -5.0285 -5.0285 -3.4716 -3.4716 -3.4707 -3.4707 -2.2901 -2.2901 -2.2892 -2.2892 -1.4746 -1.4746 -1.4729 -1.4729 0.8717 0.8717 0.8759 0.8759 1.5364 1.5364 1.5622 1.5622 3.5657 3.5657 3.5823 3.5823 4.1214 4.1214 4.1495 4.1495 4.4232 4.4232 4.4253 4.4253 5.6154 5.6154 5.6160 5.6160 6.4842 6.4842 6.5197 6.5197 6.7094 6.7094 6.7132 6.7132 7.2955 7.2955 7.3511 7.3511 8.2047 8.2047 8.2168 8.2168 9.8832 9.8832 9.9047 9.9047 10.4457 10.4457 10.4598 10.4598 10.7679 10.7679 10.7725 10.7725 k = 0.1622 0.5000 0.1622 ( 7290 PWs) bands (ev): -5.0598 -5.0598 -5.0596 -5.0596 -3.4386 -3.4386 -3.4377 -3.4377 -2.2440 -2.2440 -2.2430 -2.2430 -1.4548 -1.4548 -1.4531 -1.4531 0.7871 0.7871 0.7909 0.7909 1.5458 1.5458 1.5717 1.5717 3.5262 3.5262 3.5434 3.5434 4.0741 4.0741 4.1008 4.1008 4.4064 4.4064 4.4096 4.4096 5.6530 5.6530 5.6530 5.6530 6.4694 6.4694 6.5141 6.5141 6.6416 6.6416 6.6510 6.6510 7.3501 7.3501 7.4113 7.4113 8.2686 8.2686 8.2876 8.2876 9.9515 9.9515 9.9746 9.9746 10.4820 10.4820 10.4915 10.4915 10.7393 10.7393 10.7501 10.7501 k = 0.1486 0.5000 0.1486 ( 7270 PWs) bands (ev): -5.0885 -5.0885 -5.0883 -5.0883 -3.4061 -3.4061 -3.4052 -3.4052 -2.1974 -2.1974 -2.1964 -2.1964 -1.4425 -1.4425 -1.4408 -1.4408 0.7057 0.7057 0.7090 0.7090 1.5634 1.5634 1.5894 1.5894 3.4886 3.4886 3.5063 3.5063 4.0297 4.0297 4.0550 4.0550 4.3922 4.3922 4.3963 4.3963 5.6877 5.6877 5.6883 5.6883 6.3866 6.3866 6.4224 6.4224 6.6571 6.6571 6.6602 6.6602 7.3919 7.3919 7.4573 7.4573 8.3420 8.3420 8.3662 8.3662 10.0065 10.0065 10.0299 10.0299 10.5061 10.5061 10.5066 10.5066 10.7318 10.7318 10.7525 10.7525 k = 0.1351 0.5000 0.1351 ( 7268 PWs) bands (ev): -5.1148 -5.1148 -5.1147 -5.1147 -3.3745 -3.3745 -3.3737 -3.3737 -2.1507 -2.1507 -2.1497 -2.1497 -1.4370 -1.4370 -1.4354 -1.4354 0.6281 0.6281 0.6310 0.6310 1.5885 1.5885 1.6142 1.6142 3.4528 3.4528 3.4711 3.4711 3.9884 3.9884 4.0122 4.0122 4.3806 4.3806 4.3855 4.3855 5.7189 5.7189 5.7201 5.7201 6.2792 6.2792 6.3100 6.3100 6.6921 6.6921 6.7032 6.7032 7.4200 7.4200 7.4875 7.4875 8.4246 8.4246 8.4523 8.4523 10.0470 10.0470 10.0696 10.0696 10.4947 10.4947 10.5010 10.5010 10.7672 10.7672 10.7952 10.7952 k = 0.1216 0.5000 0.1216 ( 7272 PWs) bands (ev): -5.1387 -5.1387 -5.1386 -5.1386 -3.3442 -3.3442 -3.3434 -3.3434 -2.1041 -2.1041 -2.1031 -2.1031 -1.4380 -1.4380 -1.4365 -1.4365 0.5549 0.5549 0.5574 0.5574 1.6198 1.6198 1.6451 1.6451 3.4190 3.4190 3.4376 3.4376 3.9504 3.9504 3.9725 3.9725 4.3716 4.3716 4.3771 4.3771 5.7447 5.7447 5.7464 5.7464 6.1721 6.1721 6.2005 6.2005 6.7348 6.7348 6.7508 6.7508 7.4347 7.4347 7.5026 7.5026 8.5150 8.5150 8.5441 8.5441 10.0736 10.0736 10.0947 10.0947 10.4644 10.4644 10.4722 10.4722 10.8408 10.8408 10.8705 10.8705 k = 0.1081 0.5000 0.1081 ( 7262 PWs) bands (ev): -5.1601 -5.1601 -5.1600 -5.1600 -3.3154 -3.3154 -3.3147 -3.3147 -2.0581 -2.0581 -2.0570 -2.0570 -1.4445 -1.4445 -1.4432 -1.4432 0.4867 0.4867 0.4889 0.4889 1.6558 1.6558 1.6802 1.6802 3.3873 3.3873 3.4059 3.4059 3.9159 3.9159 3.9361 3.9361 4.3652 4.3652 4.3712 4.3712 5.7611 5.7611 5.7626 5.7626 6.0762 6.0762 6.1026 6.1026 6.7801 6.7801 6.7998 6.7998 7.4377 7.4377 7.5044 7.5044 8.6104 8.6104 8.6393 8.6393 10.0878 10.0878 10.1073 10.1073 10.4283 10.4283 10.4351 10.4351 10.9361 10.9361 10.9654 10.9654 k = 0.0946 0.5000 0.0946 ( 7270 PWs) bands (ev): -5.1790 -5.1790 -5.1789 -5.1789 -3.2887 -3.2887 -3.2881 -3.2881 -2.0129 -2.0129 -2.0118 -2.0118 -1.4558 -1.4558 -1.4548 -1.4548 0.4242 0.4242 0.4261 0.4261 1.6947 1.6947 1.7181 1.7181 3.3579 3.3579 3.3762 3.3762 3.8849 3.8849 3.9032 3.9032 4.3612 4.3612 4.3675 4.3675 5.7595 5.7595 5.7601 5.7601 6.0037 6.0037 6.0262 6.0262 6.8263 6.8263 6.8490 6.8490 7.4308 7.4308 7.4952 7.4952 8.7078 8.7078 8.7354 8.7354 10.0915 10.0915 10.1095 10.1095 10.3928 10.3928 10.3977 10.3977 11.0428 11.0428 11.0715 11.0715 k = 0.0811 0.5000 0.0811 ( 7258 PWs) bands (ev): -5.1955 -5.1955 -5.1954 -5.1954 -3.2645 -3.2645 -3.2639 -3.2639 -1.9692 -1.9692 -1.9681 -1.9681 -1.4710 -1.4710 -1.4702 -1.4702 0.3681 0.3681 0.3698 0.3698 1.7349 1.7349 1.7566 1.7566 3.3311 3.3311 3.3486 3.3486 3.8578 3.8578 3.8738 3.8738 4.3593 4.3593 4.3657 4.3657 5.7273 5.7273 5.7326 5.7326 5.9664 5.9664 5.9822 5.9822 6.8726 6.8726 6.8977 6.8977 7.4160 7.4160 7.4772 7.4772 8.8041 8.8041 8.8293 8.8293 10.0872 10.0872 10.1037 10.1037 10.3602 10.3602 10.3632 10.3632 11.1550 11.1550 11.1833 11.1833 k = 0.0676 0.5000 0.0676 ( 7254 PWs) bands (ev): -5.2094 -5.2094 -5.2093 -5.2093 -3.2431 -3.2431 -3.2425 -3.2425 -1.9275 -1.9275 -1.9265 -1.9265 -1.4890 -1.4890 -1.4884 -1.4884 0.3192 0.3192 0.3205 0.3205 1.7743 1.7743 1.7937 1.7937 3.3072 3.3072 3.3234 3.3234 3.8346 3.8346 3.8483 3.8483 4.3594 4.3594 4.3656 4.3656 5.6734 5.6734 5.6824 5.6824 5.9584 5.9584 5.9681 5.9681 6.9183 6.9183 6.9454 6.9454 7.3952 7.3952 7.4525 7.4525 8.8959 8.8959 8.9181 8.9181 10.0774 10.0774 10.0924 10.0924 10.3314 10.3314 10.3324 10.3324 11.2683 11.2683 11.2967 11.2967 k = 0.0541 0.5000 0.0541 ( 7262 PWs) bands (ev): -5.2208 -5.2208 -5.2207 -5.2207 -3.2249 -3.2249 -3.2244 -3.2244 -1.8888 -1.8888 -1.8879 -1.8879 -1.5087 -1.5087 -1.5083 -1.5083 0.2780 0.2780 0.2790 0.2790 1.8108 1.8108 1.8274 1.8274 3.2869 3.2869 3.3011 3.3011 3.8156 3.8156 3.8267 3.8267 4.3609 4.3609 4.3665 4.3665 5.6155 5.6155 5.6255 5.6255 5.9633 5.9633 5.9693 5.9693 6.9627 6.9627 6.9909 6.9909 7.3707 7.3707 7.4230 7.4230 8.9797 8.9797 8.9982 8.9982 10.0649 10.0649 10.0781 10.0781 10.3057 10.3057 10.3061 10.3061 11.3787 11.3787 11.4070 11.4070 k = 0.0405 0.5000 0.0405 ( 7262 PWs) bands (ev): -5.2297 -5.2297 -5.2296 -5.2296 -3.2103 -3.2103 -3.2100 -3.2100 -1.8544 -1.8544 -1.8536 -1.8536 -1.5286 -1.5286 -1.5283 -1.5283 0.2452 0.2452 0.2460 0.2460 1.8424 1.8424 1.8556 1.8556 3.2707 3.2707 3.2822 3.2822 3.8010 3.8010 3.8094 3.8094 4.3633 4.3633 4.3680 4.3680 5.5648 5.5648 5.5737 5.5737 5.9717 5.9717 5.9754 5.9754 7.0049 7.0049 7.0325 7.0325 7.3451 7.3451 7.3909 7.3909 9.0517 9.0517 9.0661 9.0661 10.0526 10.0526 10.0634 10.0634 10.2833 10.2833 10.2847 10.2847 11.4809 11.4809 11.5082 11.5082 k = 0.0270 0.5000 0.0270 ( 7250 PWs) bands (ev): -5.2360 -5.2360 -5.2360 -5.2360 -3.1996 -3.1996 -3.1994 -3.1994 -1.8260 -1.8260 -1.8254 -1.8254 -1.5465 -1.5465 -1.5464 -1.5464 0.2214 0.2214 0.2219 0.2219 1.8674 1.8674 1.8766 1.8766 3.2592 3.2592 3.2673 3.2673 3.7908 3.7908 3.7965 3.7965 4.3660 4.3660 4.3693 4.3693 5.5265 5.5265 5.5331 5.5331 5.9794 5.9794 5.9816 5.9816 7.0429 7.0429 7.0670 7.0670 7.3224 7.3224 7.3586 7.3586 9.1079 9.1079 9.1177 9.1177 10.0426 10.0426 10.0503 10.0503 10.2661 10.2661 10.2676 10.2676 11.5681 11.5681 11.5916 11.5916 k = 0.0135 0.5000 0.0135 ( 7246 PWs) bands (ev): -5.2398 -5.2398 -5.2398 -5.2398 -3.1931 -3.1931 -3.1930 -3.1930 -1.8067 -1.8067 -1.8064 -1.8064 -1.5595 -1.5595 -1.5595 -1.5595 0.2069 0.2069 0.2072 0.2072 1.8840 1.8840 1.8887 1.8887 3.2530 3.2530 3.2572 3.2572 3.7852 3.7852 3.7881 3.7881 4.3682 4.3682 4.3700 4.3700 5.5033 5.5033 5.5068 5.5068 5.9848 5.9848 5.9858 5.9858 7.0735 7.0735 7.0886 7.0886 7.3089 7.3089 7.3301 7.3301 9.1446 9.1446 9.1496 9.1496 10.0367 10.0367 10.0408 10.0408 10.2554 10.2554 10.2564 10.2564 11.6309 11.6309 11.6454 11.6454 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -5.2411 -5.2411 -5.2411 -5.2411 -3.1908 -3.1908 -3.1908 -3.1908 -1.7997 -1.7997 -1.7997 -1.7997 -1.5644 -1.5644 -1.5644 -1.5644 0.2022 0.2022 0.2022 0.2022 1.8913 1.8913 1.8913 1.8913 3.2523 3.2523 3.2523 3.2523 3.7843 3.7843 3.7843 3.7843 4.3697 4.3697 4.3697 4.3697 5.4966 5.4966 5.4966 5.4966 5.9869 5.9869 5.9869 5.9869 7.0908 7.0908 7.0908 7.0908 7.3114 7.3114 7.3114 7.3114 9.1589 9.1589 9.1589 9.1589 10.0360 10.0360 10.0360 10.0360 10.2520 10.2520 10.2520 10.2520 11.6591 11.6591 11.6591 11.6591 k = 0.5000 0.5000-0.0000 ( 7248 PWs) bands (ev): -4.4120 -4.4120 -4.4120 -4.4120 -4.4114 -4.4114 -4.4114 -4.4114 -1.7930 -1.7930 -1.7930 -1.7930 -1.7912 -1.7912 -1.7912 -1.7912 1.1439 1.1439 1.1439 1.1439 1.1656 1.1656 1.1656 1.1656 4.1126 4.1126 4.1126 4.1126 4.1389 4.1389 4.1389 4.1389 5.2975 5.2975 5.2975 5.2975 5.2991 5.2991 5.2991 5.2991 6.4897 6.4897 6.4897 6.4897 6.5460 6.5460 6.5460 6.5460 7.5275 7.5275 7.5275 7.5275 7.5697 7.5697 7.5697 7.5697 9.8024 9.8024 9.8024 9.8024 9.8081 9.8081 9.8081 9.8081 11.1474 11.1474 11.1474 11.1474 k = 0.5000 0.5000 0.0185 ( 7268 PWs) bands (ev): -4.4110 -4.4110 -4.4110 -4.4110 -4.4104 -4.4104 -4.4104 -4.4104 -1.7973 -1.7973 -1.7971 -1.7971 -1.7956 -1.7956 -1.7954 -1.7954 1.1486 1.1486 1.1499 1.1499 1.1709 1.1709 1.1711 1.1711 4.1140 4.1140 4.1143 4.1143 4.1402 4.1402 4.1407 4.1407 5.2974 5.2974 5.2985 5.2985 5.2989 5.2989 5.3005 5.3005 6.4806 6.4806 6.4847 6.4847 6.5370 6.5370 6.5392 6.5392 7.5247 7.5247 7.5386 7.5386 7.5710 7.5710 7.5751 7.5751 9.7960 9.7960 9.8026 9.8026 9.8044 9.8044 9.8092 9.8092 11.1490 11.1490 11.1492 11.1492 k = 0.5000 0.5000 0.0370 ( 7276 PWs) bands (ev): -4.4080 -4.4080 -4.4080 -4.4080 -4.4074 -4.4074 -4.4073 -4.4073 -1.8099 -1.8099 -1.8096 -1.8096 -1.8082 -1.8082 -1.8079 -1.8079 1.1640 1.1640 1.1665 1.1665 1.1868 1.1868 1.1872 1.1872 4.1184 4.1184 4.1191 4.1191 4.1445 4.1445 4.1455 4.1455 5.2983 5.2983 5.2997 5.2997 5.3004 5.3004 5.3029 5.3029 6.4580 6.4580 6.4659 6.4659 6.5133 6.5133 6.5173 6.5173 7.5299 7.5299 7.5573 7.5573 7.5784 7.5784 7.5863 7.5863 9.7856 9.7856 9.7927 9.7927 9.8020 9.8020 9.8058 9.8058 11.1533 11.1533 11.1537 11.1537 k = 0.5000 0.5000 0.0556 ( 7256 PWs) bands (ev): -4.4030 -4.4030 -4.4029 -4.4029 -4.4025 -4.4025 -4.4022 -4.4022 -1.8305 -1.8305 -1.8301 -1.8301 -1.8289 -1.8289 -1.8284 -1.8284 1.1897 1.1897 1.1935 1.1935 1.2130 1.2130 1.2135 1.2135 4.1258 4.1258 4.1268 4.1268 4.1519 4.1519 4.1534 4.1534 5.3002 5.3002 5.3015 5.3015 5.3033 5.3033 5.3063 5.3063 6.4233 6.4233 6.4346 6.4346 6.4767 6.4767 6.4817 6.4817 7.5414 7.5414 7.5813 7.5813 7.5907 7.5907 7.6018 7.6018 9.7713 9.7713 9.7788 9.7788 9.7949 9.7949 9.7979 9.7979 11.1589 11.1589 11.1593 11.1593 k = 0.5000 0.5000 0.0741 ( 7256 PWs) bands (ev): -4.3960 -4.3960 -4.3959 -4.3959 -4.3955 -4.3955 -4.3952 -4.3952 -1.8585 -1.8585 -1.8581 -1.8581 -1.8571 -1.8571 -1.8565 -1.8565 1.2251 1.2251 1.2301 1.2301 1.2488 1.2488 1.2496 1.2496 4.1361 4.1361 4.1375 4.1375 4.1623 4.1623 4.1643 4.1643 5.3028 5.3028 5.3042 5.3042 5.3069 5.3069 5.3106 5.3106 6.3786 6.3786 6.3929 6.3929 6.4298 6.4298 6.4349 6.4349 7.5568 7.5568 7.6058 7.6058 7.6082 7.6082 7.6195 7.6195 9.7531 9.7531 9.7610 9.7610 9.7829 9.7829 9.7854 9.7854 11.1635 11.1635 11.1639 11.1639 k = 0.5000 0.5000 0.0926 ( 7272 PWs) bands (ev): -4.3870 -4.3870 -4.3870 -4.3870 -4.3865 -4.3865 -4.3861 -4.3861 -1.8934 -1.8934 -1.8929 -1.8929 -1.8921 -1.8921 -1.8914 -1.8914 1.2694 1.2694 1.2757 1.2757 1.2937 1.2937 1.2946 1.2946 4.1494 4.1494 4.1512 4.1512 4.1756 4.1756 4.1782 4.1782 5.3061 5.3061 5.3078 5.3078 5.3113 5.3113 5.3158 5.3158 6.3259 6.3259 6.3429 6.3429 6.3749 6.3749 6.3795 6.3795 7.5733 7.5733 7.6216 7.6216 7.6353 7.6353 7.6373 7.6373 9.7308 9.7308 9.7391 9.7391 9.7654 9.7654 9.7678 9.7678 11.1646 11.1646 11.1648 11.1648 k = 0.5000 0.5000 0.1111 ( 7256 PWs) bands (ev): -4.3761 -4.3761 -4.3761 -4.3761 -4.3757 -4.3757 -4.3752 -4.3752 -1.9344 -1.9344 -1.9338 -1.9338 -1.9332 -1.9332 -1.9324 -1.9324 1.3218 1.3218 1.3294 1.3294 1.3466 1.3466 1.3477 1.3477 4.1655 4.1655 4.1678 4.1678 4.1918 4.1918 4.1949 4.1949 5.3100 5.3100 5.3121 5.3121 5.3162 5.3162 5.3216 5.3216 6.2673 6.2673 6.2866 6.2866 6.3145 6.3145 6.3180 6.3180 7.5887 7.5887 7.6361 7.6361 7.6531 7.6531 7.6603 7.6603 9.7036 9.7036 9.7126 9.7126 9.7416 9.7416 9.7444 9.7444 11.1592 11.1592 11.1594 11.1594 k = 0.5000 0.5000 0.1296 ( 7256 PWs) bands (ev): -4.3633 -4.3633 -4.3633 -4.3633 -4.3629 -4.3629 -4.3623 -4.3623 -1.9805 -1.9805 -1.9799 -1.9799 -1.9795 -1.9795 -1.9786 -1.9786 1.3813 1.3813 1.3903 1.3903 1.4067 1.4067 1.4079 1.4079 4.1842 4.1842 4.1872 4.1872 4.2107 4.2107 4.2145 4.2145 5.3142 5.3142 5.3169 5.3169 5.3213 5.3213 5.3280 5.3280 6.2048 6.2048 6.2261 6.2261 6.2506 6.2506 6.2525 6.2525 7.6011 7.6011 7.6475 7.6475 7.6652 7.6652 7.6814 7.6814 9.6703 9.6703 9.6804 9.6804 9.7098 9.7098 9.7137 9.7137 11.1451 11.1451 11.1479 11.1479 k = 0.5000 0.5000 0.1481 ( 7248 PWs) bands (ev): -4.3487 -4.3487 -4.3486 -4.3486 -4.3483 -4.3483 -4.3477 -4.3477 -2.0311 -2.0311 -2.0304 -2.0304 -2.0302 -2.0302 -2.0293 -2.0293 1.4470 1.4470 1.4573 1.4573 1.4729 1.4729 1.4742 1.4742 4.2056 4.2056 4.2092 4.2092 4.2323 4.2323 4.2367 4.2367 5.3185 5.3185 5.3220 5.3220 5.3264 5.3264 5.3345 5.3345 6.1401 6.1401 6.1632 6.1632 6.1849 6.1849 6.1850 6.1850 7.6089 7.6089 7.6545 7.6545 7.6723 7.6723 7.6971 7.6971 9.6290 9.6290 9.6407 9.6407 9.6684 9.6684 9.6739 9.6739 11.1301 11.1301 11.1321 11.1321 k = 0.5000 0.5000 0.1667 ( 7244 PWs) bands (ev): -4.3322 -4.3322 -4.3322 -4.3322 -4.3319 -4.3319 -4.3312 -4.3312 -2.0852 -2.0852 -2.0845 -2.0845 -2.0845 -2.0845 -2.0835 -2.0835 1.5178 1.5178 1.5295 1.5295 1.5444 1.5444 1.5458 1.5458 4.2292 4.2292 4.2338 4.2338 4.2563 4.2563 4.2613 4.2613 5.3223 5.3223 5.3270 5.3270 5.3310 5.3310 5.3408 5.3408 6.0748 6.0748 6.0996 6.0996 6.1174 6.1174 6.1192 6.1192 7.6115 7.6115 7.6563 7.6563 7.6737 7.6737 7.7066 7.7066 9.5779 9.5779 9.5918 9.5918 9.6154 9.6154 9.6231 9.6231 11.1167 11.1167 11.1188 11.1188 k = 0.5000 0.5000 0.1852 ( 7264 PWs) bands (ev): -4.3141 -4.3141 -4.3141 -4.3141 -4.3138 -4.3138 -4.3130 -4.3130 -2.1422 -2.1422 -2.1416 -2.1416 -2.1415 -2.1415 -2.1406 -2.1406 1.5928 1.5928 1.6060 1.6060 1.6201 1.6201 1.6216 1.6216 4.2550 4.2550 4.2606 4.2606 4.2825 4.2825 4.2883 4.2883 5.3252 5.3252 5.3316 5.3316 5.3344 5.3344 5.3464 5.3464 6.0107 6.0107 6.0369 6.0369 6.0514 6.0514 6.0550 6.0550 7.6081 7.6081 7.6522 7.6522 7.6689 7.6689 7.7094 7.7094 9.5154 9.5154 9.5317 9.5317 9.5496 9.5496 9.5598 9.5598 11.1074 11.1074 11.1163 11.1163 k = 0.5000 0.5000 0.2037 ( 7244 PWs) bands (ev): -4.2944 -4.2944 -4.2944 -4.2944 -4.2941 -4.2941 -4.2932 -4.2932 -2.2013 -2.2013 -2.2008 -2.2008 -2.2005 -2.2005 -2.1998 -2.1998 1.6711 1.6711 1.6858 1.6858 1.6991 1.6991 1.7006 1.7006 4.2825 4.2825 4.2893 4.2893 4.3106 4.3106 4.3171 4.3171 5.3266 5.3266 5.3352 5.3352 5.3361 5.3361 5.3503 5.3503 5.9495 5.9495 5.9767 5.9767 5.9887 5.9887 5.9941 5.9941 7.5988 7.5988 7.6421 7.6421 7.6578 7.6578 7.7054 7.7054 9.4408 9.4408 9.4596 9.4596 9.4707 9.4707 9.4834 9.4834 11.1092 11.1092 11.1266 11.1266 k = 0.5000 0.5000 0.2222 ( 7244 PWs) bands (ev): -4.2732 -4.2732 -4.2731 -4.2731 -4.2729 -4.2729 -4.2719 -4.2719 -2.2618 -2.2618 -2.2613 -2.2613 -2.2610 -2.2610 -2.2603 -2.2603 1.7517 1.7517 1.7679 1.7679 1.7804 1.7804 1.7820 1.7820 4.3112 4.3112 4.3197 4.3197 4.3401 4.3401 4.3475 4.3475 5.3255 5.3255 5.3349 5.3349 5.3371 5.3371 5.3517 5.3517 5.8932 5.8932 5.9206 5.9206 5.9312 5.9312 5.9381 5.9381 7.5838 7.5838 7.6263 7.6263 7.6406 7.6406 7.6948 7.6948 9.3546 9.3546 9.3755 9.3755 9.3798 9.3798 9.3948 9.3948 11.1256 11.1256 11.1520 11.1520 k = 0.5000 0.5000 0.2407 ( 7244 PWs) bands (ev): -4.2506 -4.2506 -4.2505 -4.2505 -4.2503 -4.2503 -4.2493 -4.2493 -2.3230 -2.3230 -2.3226 -2.3226 -2.3223 -2.3223 -2.3217 -2.3217 1.8337 1.8337 1.8516 1.8516 1.8632 1.8632 1.8648 1.8648 4.3408 4.3408 4.3512 4.3512 4.3707 4.3707 4.3789 4.3789 5.3212 5.3212 5.3299 5.3299 5.3366 5.3366 5.3493 5.3493 5.8437 5.8437 5.8705 5.8705 5.8809 5.8809 5.8887 5.8887 7.5633 7.5633 7.6048 7.6048 7.6177 7.6177 7.6781 7.6781 9.2582 9.2582 9.2788 9.2788 9.2809 9.2809 9.2957 9.2957 11.1583 11.1583 11.1931 11.1931 k = 0.5000 0.5000 0.2593 ( 7252 PWs) bands (ev): -4.2267 -4.2267 -4.2267 -4.2267 -4.2265 -4.2265 -4.2254 -4.2254 -2.3843 -2.3843 -2.3840 -2.3840 -2.3836 -2.3836 -2.3831 -2.3831 1.9162 1.9162 1.9358 1.9358 1.9466 1.9466 1.9482 1.9482 4.3703 4.3703 4.3833 4.3833 4.4016 4.4016 4.4107 4.4107 5.3128 5.3128 5.3201 5.3201 5.3329 5.3329 5.3418 5.3418 5.8033 5.8033 5.8279 5.8279 5.8395 5.8395 5.8476 5.8476 7.5379 7.5379 7.5783 7.5783 7.5896 7.5896 7.6559 7.6559 9.1540 9.1540 9.1704 9.1704 9.1780 9.1780 9.1886 9.1886 11.2071 11.2071 11.2493 11.2493 k = 0.5000 0.5000 0.2778 ( 7264 PWs) bands (ev): -4.2019 -4.2019 -4.2019 -4.2019 -4.2017 -4.2017 -4.2005 -4.2005 -2.4452 -2.4452 -2.4450 -2.4450 -2.4446 -2.4446 -2.4441 -2.4441 1.9983 1.9983 2.0197 2.0197 2.0296 2.0296 2.0311 2.0311 4.3991 4.3991 4.4151 4.4151 4.4321 4.4321 4.4420 4.4420 5.3000 5.3000 5.3052 5.3052 5.3257 5.3257 5.3285 5.3285 5.7737 5.7737 5.7944 5.7944 5.8083 5.8083 5.8160 5.8160 7.5082 7.5082 7.5471 7.5471 7.5569 7.5569 7.6287 7.6287 9.0449 9.0449 9.0576 9.0576 9.0696 9.0696 9.0766 9.0766 11.2707 11.2707 11.3192 11.3192 k = 0.5000 0.5000 0.2963 ( 7264 PWs) bands (ev): -4.1763 -4.1763 -4.1762 -4.1762 -4.1761 -4.1761 -4.1748 -4.1748 -2.5051 -2.5051 -2.5049 -2.5049 -2.5045 -2.5045 -2.5040 -2.5040 2.0791 2.0791 2.1024 2.1024 2.1114 2.1114 2.1128 2.1128 4.4261 4.4261 4.4457 4.4457 4.4612 4.4612 4.4719 4.4719 5.2832 5.2832 5.2858 5.2858 5.3097 5.3097 5.3151 5.3151 5.7555 5.7555 5.7708 5.7708 5.7879 5.7879 5.7946 5.7946 7.4748 7.4748 7.5118 7.5118 7.5200 7.5200 7.5974 7.5974 8.9337 8.9337 8.9433 8.9433 8.9586 8.9586 8.9625 8.9625 11.3476 11.3476 11.4010 11.4010 k = 0.5000 0.5000 0.3148 ( 7272 PWs) bands (ev): -4.1501 -4.1501 -4.1501 -4.1501 -4.1500 -4.1500 -4.1485 -4.1485 -2.5634 -2.5634 -2.5632 -2.5632 -2.5628 -2.5628 -2.5624 -2.5624 2.1578 2.1578 2.1831 2.1831 2.1910 2.1910 2.1924 2.1924 4.4502 4.4502 4.4741 4.4741 4.4878 4.4878 4.4991 4.4991 5.2635 5.2635 5.2637 5.2637 5.2870 5.2870 5.3022 5.3022 5.7481 5.7481 5.7571 5.7571 5.7776 5.7776 5.7830 5.7830 7.4382 7.4382 7.4729 7.4729 7.4796 7.4796 7.5624 7.5624 8.8233 8.8233 8.8303 8.8303 8.8480 8.8480 8.8490 8.8490 11.4357 11.4357 11.4931 11.4931 k = 0.5000 0.5000 0.3333 ( 7288 PWs) bands (ev): -4.1238 -4.1238 -4.1238 -4.1238 -4.1237 -4.1237 -4.1221 -4.1221 -2.6194 -2.6194 -2.6193 -2.6193 -2.6189 -2.6189 -2.6185 -2.6185 2.2334 2.2334 2.2607 2.2607 2.2676 2.2676 2.2689 2.2689 4.4704 4.4704 4.4991 4.4991 4.5109 4.5109 4.5224 4.5224 5.2407 5.2407 5.2434 5.2434 5.2628 5.2628 5.2886 5.2886 5.7500 5.7500 5.7524 5.7524 5.7761 5.7761 5.7802 5.7802 7.3991 7.3991 7.4309 7.4309 7.4363 7.4363 7.5245 7.5245 8.7162 8.7162 8.7211 8.7211 8.7389 8.7389 8.7404 8.7404 11.5332 11.5332 11.5935 11.5935 k = 0.5000 0.5000 0.3519 ( 7288 PWs) bands (ev): -4.0977 -4.0977 -4.0977 -4.0977 -4.0976 -4.0976 -4.0959 -4.0959 -2.6726 -2.6726 -2.6725 -2.6725 -2.6722 -2.6722 -2.6718 -2.6718 2.3050 2.3050 2.3343 2.3343 2.3401 2.3401 2.3413 2.3413 4.4857 4.4857 4.5196 4.5196 4.5293 4.5293 4.5406 4.5406 5.2199 5.2199 5.2244 5.2244 5.2398 5.2398 5.2763 5.2763 5.7555 5.7555 5.7593 5.7593 5.7817 5.7817 5.7846 5.7846 7.3582 7.3582 7.3866 7.3866 7.3908 7.3908 7.4843 7.4843 8.6149 8.6149 8.6182 8.6182 8.6343 8.6343 8.6382 8.6382 11.6383 11.6383 11.7007 11.7007 k = 0.5000 0.5000 0.3704 ( 7292 PWs) bands (ev): -4.0723 -4.0723 -4.0722 -4.0722 -4.0722 -4.0722 -4.0705 -4.0705 -2.7224 -2.7224 -2.7223 -2.7223 -2.7220 -2.7220 -2.7216 -2.7216 2.3715 2.3715 2.4029 2.4029 2.4077 2.4077 2.4087 2.4087 4.4958 4.4958 4.5349 4.5349 4.5424 4.5424 4.5529 4.5529 5.2031 5.2031 5.2087 5.2087 5.2202 5.2202 5.2667 5.2667 5.7646 5.7646 5.7741 5.7741 5.7928 5.7928 5.7947 5.7947 7.3163 7.3163 7.3407 7.3407 7.3439 7.3439 7.4428 7.4428 8.5214 8.5214 8.5236 8.5236 8.5376 8.5376 8.5438 8.5438 11.7493 11.7493 11.8131 11.8131 k = 0.5000 0.5000 0.3889 ( 7276 PWs) bands (ev): -4.0481 -4.0481 -4.0481 -4.0481 -4.0481 -4.0481 -4.0462 -4.0462 -2.7679 -2.7679 -2.7678 -2.7678 -2.7676 -2.7676 -2.7671 -2.7671 2.4321 2.4321 2.4655 2.4655 2.4693 2.4693 2.4701 2.4701 4.5006 4.5006 4.5445 4.5445 4.5500 4.5500 4.5591 4.5591 5.1915 5.1915 5.1971 5.1971 5.2053 5.2053 5.2608 5.2608 5.7784 5.7784 5.7928 5.7928 5.8077 5.8077 5.8089 5.8089 7.2745 7.2745 7.2945 7.2945 7.2968 7.2968 7.4010 7.4010 8.4376 8.4376 8.4389 8.4389 8.4504 8.4504 8.4591 8.4591 11.8646 11.8646 11.9290 11.9290 k = 0.5000 0.5000 0.4074 ( 7276 PWs) bands (ev): -4.0258 -4.0258 -4.0258 -4.0258 -4.0258 -4.0258 -4.0239 -4.0239 -2.8084 -2.8084 -2.8084 -2.8084 -2.8082 -2.8082 -2.8077 -2.8077 2.4857 2.4857 2.5210 2.5210 2.5238 2.5238 2.5244 2.5244 4.5009 4.5009 4.5489 4.5489 4.5526 4.5526 4.5599 4.5599 5.1851 5.1851 5.1899 5.1899 5.1953 5.1953 5.2583 5.2583 5.7949 5.7949 5.8135 5.8135 5.8247 5.8247 5.8255 5.8255 7.2341 7.2341 7.2494 7.2494 7.2510 7.2510 7.3603 7.3603 8.3649 8.3649 8.3657 8.3657 8.3744 8.3744 8.3854 8.3854 11.9826 11.9826 12.0466 12.0467 k = 0.5000 0.5000 0.4259 ( 7292 PWs) bands (ev): -4.0062 -4.0062 -4.0062 -4.0062 -4.0061 -4.0061 -4.0041 -4.0041 -2.8432 -2.8432 -2.8432 -2.8432 -2.8431 -2.8431 -2.8426 -2.8426 2.5312 2.5312 2.5684 2.5684 2.5702 2.5702 2.5706 2.5706 4.4980 4.4980 4.5493 4.5493 4.5515 4.5515 4.5567 4.5567 5.1829 5.1829 5.1865 5.1865 5.1898 5.1898 5.2587 5.2587 5.8126 5.8126 5.8345 5.8345 5.8422 5.8422 5.8427 5.8427 7.1967 7.1967 7.2073 7.2073 7.2084 7.2084 7.3224 7.3224 8.3045 8.3045 8.3048 8.3048 8.3109 8.3109 8.3241 8.3241 12.1017 12.1017 12.1641 12.1641 k = 0.5000 0.5000 0.4444 ( 7284 PWs) bands (ev): -3.9898 -3.9898 -3.9898 -3.9898 -3.9898 -3.9898 -3.9877 -3.9877 -2.8714 -2.8714 -2.8714 -2.8714 -2.8713 -2.8713 -2.8708 -2.8708 2.5679 2.5679 2.6065 2.6065 2.6076 2.6076 2.6078 2.6078 4.4934 4.4934 4.5470 4.5470 4.5482 4.5482 4.5513 4.5513 5.1834 5.1834 5.1857 5.1857 5.1874 5.1874 5.2606 5.2606 5.8294 5.8294 5.8539 5.8539 5.8586 5.8586 5.8589 5.8589 7.1644 7.1644 7.1708 7.1708 7.1714 7.1714 7.2895 7.2895 8.2570 8.2570 8.2571 8.2571 8.2607 8.2607 8.2760 8.2760 12.2201 12.2201 12.2787 12.2787 k = 0.5000 0.5000 0.4630 ( 7268 PWs) bands (ev): -3.9775 -3.9775 -3.9775 -3.9775 -3.9775 -3.9775 -3.9754 -3.9754 -2.8922 -2.8922 -2.8922 -2.8922 -2.8921 -2.8921 -2.8916 -2.8916 2.5947 2.5947 2.6345 2.6345 2.6350 2.6350 2.6351 2.6351 4.4889 4.4889 4.5439 4.5439 4.5444 4.5444 4.5459 4.5459 5.1852 5.1852 5.1863 5.1863 5.1870 5.1870 5.2631 5.2631 5.8433 5.8433 5.8698 5.8698 5.8719 5.8719 5.8721 5.8721 7.1392 7.1392 7.1422 7.1422 7.1425 7.1425 7.2639 7.2639 8.2228 8.2228 8.2229 8.2229 8.2246 8.2246 8.2414 8.2414 12.3360 12.3360 12.3859 12.3859 k = 0.5000 0.5000 0.4815 ( 7220 PWs) bands (ev): -3.9699 -3.9699 -3.9699 -3.9699 -3.9699 -3.9699 -3.9677 -3.9677 -2.9049 -2.9049 -2.9049 -2.9049 -2.9049 -2.9049 -2.9043 -2.9043 2.6111 2.6111 2.6516 2.6516 2.6517 2.6517 2.6517 2.6517 4.4855 4.4855 4.5414 4.5414 4.5416 4.5416 4.5419 4.5419 5.1868 5.1868 5.1871 5.1871 5.1873 5.1873 5.2649 5.2649 5.8526 5.8526 5.8802 5.8802 5.8807 5.8807 5.8808 5.8808 7.1232 7.1232 7.1239 7.1239 7.1240 7.1240 7.2475 7.2475 8.2023 8.2023 8.2023 8.2023 8.2027 8.2027 8.2206 8.2206 12.4468 12.4468 12.4752 12.4752 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9673 -3.9651 -3.9651 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9092 -2.9086 -2.9086 2.6166 2.6166 2.6573 2.6573 2.6573 2.6573 2.6573 2.6573 4.4843 4.4843 4.5405 4.5405 4.5405 4.5405 4.5405 4.5405 5.1874 5.1874 5.1874 5.1874 5.1874 5.1874 5.2657 5.2657 5.8559 5.8559 5.8838 5.8838 5.8838 5.8838 5.8838 5.8838 7.1176 7.1176 7.1176 7.1176 7.1176 7.1176 7.2419 7.2419 8.1954 8.1954 8.1954 8.1954 8.1954 8.1954 8.2136 8.2136 12.5160 12.5160 12.5354 12.5354 Writing output data file SiAs2.save init_run : 0.24s CPU 0.40s WALL ( 1 calls) electrons : 223.56s CPU 226.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 223.55s CPU 226.14s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 207 calls) cegterg : 204.23s CPU 206.26s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 119.19s CPU 120.85s WALL ( 5821 calls) s_psi : 9.86s CPU 9.90s WALL ( 5821 calls) g_psi : 0.39s CPU 0.36s WALL ( 5240 calls) cdiaghg : 63.77s CPU 64.29s WALL ( 5447 calls) cegterg:over : 10.00s CPU 9.98s WALL ( 5240 calls) cegterg:upda : 9.13s CPU 9.14s WALL ( 5240 calls) cegterg:last : 3.92s CPU 4.04s WALL ( 788 calls) cdiaghg:chol : 3.85s CPU 3.75s WALL ( 5447 calls) cdiaghg:inve : 2.60s CPU 2.74s WALL ( 5447 calls) cdiaghg:para : 4.54s CPU 4.51s WALL ( 10894 calls) Called by h_psi: h_psi:vloc : 97.84s CPU 99.03s WALL ( 5821 calls) h_psi:vnl : 20.97s CPU 21.44s WALL ( 5821 calls) add_vuspsi : 10.83s CPU 11.06s WALL ( 5821 calls) General routines calbec : 10.11s CPU 10.36s WALL ( 5821 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 93.23s CPU 94.23s WALL ( 712384 calls) davcio : 0.21s CPU 0.27s WALL ( 414 calls) Parallel routines fft_scatter : 31.32s CPU 32.28s WALL ( 712399 calls) PWSCF : 4m 1.20s CPU 4m15.12s WALL This run was terminated on: 19:37:52 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=