Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 4 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: ./N2O.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 83 48 13 3451 1514 230 Max 84 49 15 3456 1537 236 Sum 2997 1749 505 124289 54963 8409 bravais-lattice index = 14 lattice parameter (alat) = 10.8092 a.u. unit-cell volume = 1262.9455 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.809233 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 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= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 124289 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 54963 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 400, 76) NL pseudopotentials 0.51 Mb ( 200, 168) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3453) G-vector shells 0.00 Mb ( 639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.86 Mb ( 400, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./N2O.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 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.6 secs Computing kpt #: 9 total cpu time spent up to now is 11.8 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.2 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.4 secs Computing kpt #: 16 total cpu time spent up to now is 19.5 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 total cpu time spent up to now is 21.7 secs Computing kpt #: 19 total cpu time spent up to now is 22.7 secs Computing kpt #: 20 total cpu time spent up to now is 23.7 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 25.7 secs Computing kpt #: 23 total cpu time spent up to now is 26.7 secs Computing kpt #: 24 total cpu time spent up to now is 27.6 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.6 secs Computing kpt #: 27 total cpu time spent up to now is 30.5 secs Computing kpt #: 28 total cpu time spent up to now is 31.5 secs Computing kpt #: 29 total cpu time spent up to now is 32.4 secs Computing kpt #: 30 total cpu time spent up to now is 33.4 secs Computing kpt #: 31 total cpu time spent up to now is 34.3 secs Computing kpt #: 32 total cpu time spent up to now is 35.3 secs Computing kpt #: 33 total cpu time spent up to now is 36.2 secs Computing kpt #: 34 total cpu time spent up to now is 37.1 secs Computing kpt #: 35 total cpu time spent up to now is 38.1 secs Computing kpt #: 36 total cpu time spent up to now is 39.1 secs Computing kpt #: 37 total cpu time spent up to now is 40.0 secs Computing kpt #: 38 total cpu time spent up to now is 41.0 secs Computing kpt #: 39 total cpu time spent up to now is 41.9 secs Computing kpt #: 40 total cpu time spent up to now is 42.9 secs Computing kpt #: 41 total cpu time spent up to now is 43.9 secs Computing kpt #: 42 total cpu time spent up to now is 44.8 secs Computing kpt #: 43 total cpu time spent up to now is 45.8 secs Computing kpt #: 44 total cpu time spent up to now is 46.8 secs Computing kpt #: 45 total cpu time spent up to now is 47.8 secs Computing kpt #: 46 total cpu time spent up to now is 48.7 secs Computing kpt #: 47 total cpu time spent up to now is 49.7 secs Computing kpt #: 48 total cpu time spent up to now is 50.7 secs Computing kpt #: 49 total cpu time spent up to now is 51.7 secs Computing kpt #: 50 total cpu time spent up to now is 52.7 secs Computing kpt #: 51 total cpu time spent up to now is 53.7 secs Computing kpt #: 52 total cpu time spent up to now is 54.7 secs Computing kpt #: 53 total cpu time spent up to now is 55.7 secs Computing kpt #: 54 total cpu time spent up to now is 56.7 secs Computing kpt #: 55 total cpu time spent up to now is 57.8 secs Computing kpt #: 56 total cpu time spent up to now is 58.8 secs Computing kpt #: 57 total cpu time spent up to now is 59.9 secs Computing kpt #: 58 total cpu time spent up to now is 60.9 secs Computing kpt #: 59 total cpu time spent up to now is 61.9 secs Computing kpt #: 60 total cpu time spent up to now is 63.0 secs Computing kpt #: 61 total cpu time spent up to now is 64.0 secs Computing kpt #: 62 total cpu time spent up to now is 65.0 secs Computing kpt #: 63 total cpu time spent up to now is 65.9 secs Computing kpt #: 64 total cpu time spent up to now is 66.9 secs Computing kpt #: 65 total cpu time spent up to now is 67.9 secs Computing kpt #: 66 total cpu time spent up to now is 68.8 secs Computing kpt #: 67 total cpu time spent up to now is 69.8 secs Computing kpt #: 68 total cpu time spent up to now is 70.7 secs Computing kpt #: 69 total cpu time spent up to now is 71.6 secs Computing kpt #: 70 total cpu time spent up to now is 72.6 secs Computing kpt #: 71 total cpu time spent up to now is 73.5 secs Computing kpt #: 72 total cpu time spent up to now is 74.4 secs Computing kpt #: 73 total cpu time spent up to now is 75.4 secs Computing kpt #: 74 total cpu time spent up to now is 76.3 secs Computing kpt #: 75 total cpu time spent up to now is 77.2 secs Computing kpt #: 76 total cpu time spent up to now is 78.1 secs Computing kpt #: 77 total cpu time spent up to now is 79.1 secs Computing kpt #: 78 total cpu time spent up to now is 80.0 secs Computing kpt #: 79 total cpu time spent up to now is 80.9 secs Computing kpt #: 80 total cpu time spent up to now is 81.9 secs Computing kpt #: 81 total cpu time spent up to now is 82.8 secs Computing kpt #: 82 total cpu time spent up to now is 83.7 secs Computing kpt #: 83 total cpu time spent up to now is 84.7 secs Computing kpt #: 84 total cpu time spent up to now is 85.6 secs Computing kpt #: 85 total cpu time spent up to now is 86.6 secs Computing kpt #: 86 total cpu time spent up to now is 87.6 secs Computing kpt #: 87 total cpu time spent up to now is 88.5 secs Computing kpt #: 88 total cpu time spent up to now is 89.5 secs Computing kpt #: 89 total cpu time spent up to now is 90.6 secs Computing kpt #: 90 total cpu time spent up to now is 91.7 secs Computing kpt #: 91 total cpu time spent up to now is 92.7 secs Computing kpt #: 92 total cpu time spent up to now is 93.8 secs Computing kpt #: 93 total cpu time spent up to now is 95.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.6 secs Computing kpt #: 95 total cpu time spent up to now is 99.4 secs Computing kpt #: 96 total cpu time spent up to now is 100.5 secs Computing kpt #: 97 total cpu time spent up to now is 101.7 secs Computing kpt #: 98 total cpu time spent up to now is 102.8 secs Computing kpt #: 99 total cpu time spent up to now is 104.0 secs Computing kpt #: 100 total cpu time spent up to now is 106.5 secs Computing kpt #: 101 total cpu time spent up to now is 107.6 secs Computing kpt #: 102 total cpu time spent up to now is 108.7 secs Computing kpt #: 103 total cpu time spent up to now is 109.9 secs Computing kpt #: 104 total cpu time spent up to now is 111.0 secs Computing kpt #: 105 total cpu time spent up to now is 112.0 secs Computing kpt #: 106 total cpu time spent up to now is 113.1 secs Computing kpt #: 107 total cpu time spent up to now is 114.2 secs Computing kpt #: 108 total cpu time spent up to now is 115.2 secs Computing kpt #: 109 total cpu time spent up to now is 116.2 secs Computing kpt #: 110 total cpu time spent up to now is 117.2 secs Computing kpt #: 111 total cpu time spent up to now is 118.1 secs Computing kpt #: 112 total cpu time spent up to now is 119.1 secs Computing kpt #: 113 total cpu time spent up to now is 120.1 secs Computing kpt #: 114 total cpu time spent up to now is 121.0 secs Computing kpt #: 115 total cpu time spent up to now is 121.9 secs Computing kpt #: 116 total cpu time spent up to now is 123.2 secs Computing kpt #: 117 total cpu time spent up to now is 124.3 secs Computing kpt #: 118 total cpu time spent up to now is 125.2 secs Computing kpt #: 119 total cpu time spent up to now is 126.1 secs Computing kpt #: 120 total cpu time spent up to now is 127.0 secs Computing kpt #: 121 total cpu time spent up to now is 127.9 secs Computing kpt #: 122 total cpu time spent up to now is 128.9 secs Computing kpt #: 123 total cpu time spent up to now is 129.8 secs Computing kpt #: 124 total cpu time spent up to now is 130.7 secs Computing kpt #: 125 total cpu time spent up to now is 131.6 secs Computing kpt #: 126 total cpu time spent up to now is 132.6 secs Computing kpt #: 127 total cpu time spent up to now is 133.5 secs Computing kpt #: 128 total cpu time spent up to now is 134.4 secs Computing kpt #: 129 total cpu time spent up to now is 135.4 secs Computing kpt #: 130 total cpu time spent up to now is 136.3 secs Computing kpt #: 131 total cpu time spent up to now is 137.2 secs Computing kpt #: 132 total cpu time spent up to now is 138.1 secs Computing kpt #: 133 total cpu time spent up to now is 139.1 secs Computing kpt #: 134 total cpu time spent up to now is 140.1 secs Computing kpt #: 135 total cpu time spent up to now is 141.0 secs Computing kpt #: 136 total cpu time spent up to now is 142.0 secs Computing kpt #: 137 total cpu time spent up to now is 143.0 secs Computing kpt #: 138 total cpu time spent up to now is 144.0 secs Computing kpt #: 139 total cpu time spent up to now is 145.1 secs Computing kpt #: 140 total cpu time spent up to now is 146.2 secs Computing kpt #: 141 total cpu time spent up to now is 147.3 secs Computing kpt #: 142 total cpu time spent up to now is 148.4 secs Computing kpt #: 143 total cpu time spent up to now is 149.5 secs Computing kpt #: 144 total cpu time spent up to now is 150.8 secs Computing kpt #: 145 total cpu time spent up to now is 152.0 secs Computing kpt #: 146 total cpu time spent up to now is 153.1 secs Computing kpt #: 147 total cpu time spent up to now is 154.3 secs Computing kpt #: 148 total cpu time spent up to now is 155.4 secs Computing kpt #: 149 total cpu time spent up to now is 156.5 secs Computing kpt #: 150 total cpu time spent up to now is 157.7 secs Computing kpt #: 151 total cpu time spent up to now is 158.9 secs Computing kpt #: 152 total cpu time spent up to now is 160.0 secs Computing kpt #: 153 total cpu time spent up to now is 161.2 secs Computing kpt #: 154 total cpu time spent up to now is 162.3 secs Computing kpt #: 155 total cpu time spent up to now is 163.4 secs Computing kpt #: 156 total cpu time spent up to now is 164.5 secs Computing kpt #: 157 total cpu time spent up to now is 165.5 secs Computing kpt #: 158 total cpu time spent up to now is 166.5 secs Computing kpt #: 159 total cpu time spent up to now is 167.5 secs Computing kpt #: 160 total cpu time spent up to now is 168.5 secs Computing kpt #: 161 total cpu time spent up to now is 169.5 secs Computing kpt #: 162 total cpu time spent up to now is 170.4 secs Computing kpt #: 163 total cpu time spent up to now is 171.4 secs Computing kpt #: 164 total cpu time spent up to now is 172.3 secs Computing kpt #: 165 total cpu time spent up to now is 173.3 secs Computing kpt #: 166 total cpu time spent up to now is 174.2 secs Computing kpt #: 167 total cpu time spent up to now is 175.1 secs Computing kpt #: 168 total cpu time spent up to now is 176.1 secs Computing kpt #: 169 total cpu time spent up to now is 177.0 secs Computing kpt #: 170 total cpu time spent up to now is 178.0 secs Computing kpt #: 171 total cpu time spent up to now is 178.9 secs Computing kpt #: 172 total cpu time spent up to now is 179.9 secs Computing kpt #: 173 total cpu time spent up to now is 180.8 secs Computing kpt #: 174 total cpu time spent up to now is 181.7 secs Computing kpt #: 175 total cpu time spent up to now is 182.7 secs Computing kpt #: 176 total cpu time spent up to now is 183.6 secs Computing kpt #: 177 total cpu time spent up to now is 184.5 secs Computing kpt #: 178 total cpu time spent up to now is 185.5 secs Computing kpt #: 179 total cpu time spent up to now is 186.4 secs Computing kpt #: 180 total cpu time spent up to now is 187.4 secs Computing kpt #: 181 total cpu time spent up to now is 188.3 secs Computing kpt #: 182 total cpu time spent up to now is 189.2 secs Computing kpt #: 183 total cpu time spent up to now is 190.2 secs Computing kpt #: 184 total cpu time spent up to now is 191.1 secs Computing kpt #: 185 total cpu time spent up to now is 192.1 secs Computing kpt #: 186 total cpu time spent up to now is 193.0 secs Computing kpt #: 187 total cpu time spent up to now is 194.0 secs Computing kpt #: 188 total cpu time spent up to now is 195.0 secs Computing kpt #: 189 total cpu time spent up to now is 196.1 secs Computing kpt #: 190 total cpu time spent up to now is 197.1 secs Computing kpt #: 191 total cpu time spent up to now is 198.2 secs Computing kpt #: 192 total cpu time spent up to now is 199.2 secs Computing kpt #: 193 total cpu time spent up to now is 200.2 secs Computing kpt #: 194 total cpu time spent up to now is 201.3 secs Computing kpt #: 195 total cpu time spent up to now is 202.3 secs Computing kpt #: 196 total cpu time spent up to now is 203.4 secs Computing kpt #: 197 total cpu time spent up to now is 204.5 secs Computing kpt #: 198 total cpu time spent up to now is 205.7 secs Computing kpt #: 199 total cpu time spent up to now is 206.7 secs Computing kpt #: 200 total cpu time spent up to now is 207.9 secs Computing kpt #: 201 total cpu time spent up to now is 208.9 secs Computing kpt #: 202 total cpu time spent up to now is 210.1 secs Computing kpt #: 203 total cpu time spent up to now is 211.2 secs Computing kpt #: 204 total cpu time spent up to now is 212.4 secs Computing kpt #: 205 total cpu time spent up to now is 213.5 secs Computing kpt #: 206 total cpu time spent up to now is 214.7 secs Computing kpt #: 207 total cpu time spent up to now is 215.8 secs Computing kpt #: 208 total cpu time spent up to now is 217.0 secs Computing kpt #: 209 total cpu time spent up to now is 218.1 secs Computing kpt #: 210 total cpu time spent up to now is 219.3 secs Computing kpt #: 211 total cpu time spent up to now is 220.5 secs Computing kpt #: 212 total cpu time spent up to now is 221.6 secs Computing kpt #: 213 total cpu time spent up to now is 222.7 secs Computing kpt #: 214 total cpu time spent up to now is 223.8 secs Computing kpt #: 215 total cpu time spent up to now is 224.9 secs Computing kpt #: 216 total cpu time spent up to now is 226.0 secs ethr = 1.56E-08, avg # of iterations = 21.6 total cpu time spent up to now is 226.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -28.4740 -28.4740 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1206 -21.1206 -9.6152 -9.6152 -9.6001 -9.6001 -9.6001 -9.6001 -9.4493 -9.4493 -9.4493 -9.4493 -9.3257 -9.3257 -9.3084 -9.3084 -9.3084 -9.3084 -7.5820 -7.5820 -6.8037 -6.8037 -6.8035 -6.8035 -6.8035 -6.8035 -5.4020 -5.4020 -5.4020 -5.4020 -5.4010 -5.4010 -4.9712 -4.9712 -1.2994 -1.2994 -1.2909 -1.2909 -1.2909 -1.2909 -0.5668 -0.5668 -0.5571 -0.5571 -0.5571 -0.5571 -0.2882 -0.2882 -0.2882 -0.2882 3.4843 3.4843 3.4974 3.4974 3.4974 3.4974 3.5156 3.5156 3.5156 3.5156 4.1794 4.1795 k = 0.0000 0.0179-0.0000 ( 6895 PWs) bands (ev): -28.4739 -28.4739 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6151 -9.6151 -9.6000 -9.6000 -9.6000 -9.6000 -9.4494 -9.4494 -9.4492 -9.4492 -9.3259 -9.3259 -9.3086 -9.3086 -9.3085 -9.3085 -7.5811 -7.5811 -6.8039 -6.8039 -6.8035 -6.8035 -6.8034 -6.8034 -5.4022 -5.4022 -5.4020 -5.4020 -5.4010 -5.4010 -4.9717 -4.9717 -1.2988 -1.2988 -1.2903 -1.2903 -1.2901 -1.2901 -0.5669 -0.5669 -0.5573 -0.5573 -0.5570 -0.5570 -0.2889 -0.2889 -0.2884 -0.2884 3.4843 3.4843 3.4974 3.4974 3.4975 3.4975 3.5154 3.5154 3.5159 3.5159 4.1788 4.1788 k = 0.0000 0.0357-0.0000 ( 6895 PWs) bands (ev): -28.4738 -28.4738 -28.4328 -28.4328 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6148 -9.6148 -9.5998 -9.5998 -9.5996 -9.5996 -9.4499 -9.4499 -9.4489 -9.4489 -9.3265 -9.3265 -9.3094 -9.3094 -9.3090 -9.3090 -7.5785 -7.5785 -6.8050 -6.8050 -6.8033 -6.8033 -6.8031 -6.8031 -5.4028 -5.4028 -5.4022 -5.4022 -5.4007 -5.4007 -4.9731 -4.9731 -1.2969 -1.2969 -1.2888 -1.2888 -1.2878 -1.2878 -0.5673 -0.5673 -0.5582 -0.5582 -0.5567 -0.5567 -0.2910 -0.2910 -0.2889 -0.2889 3.4844 3.4844 3.4972 3.4972 3.4979 3.4979 3.5149 3.5149 3.5169 3.5169 4.1765 4.1766 k = 0.0000 0.0536-0.0000 ( 6895 PWs) bands (ev): -28.4737 -28.4737 -28.4330 -28.4330 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1404 -21.1404 -21.1207 -21.1207 -9.6143 -9.6143 -9.5995 -9.5995 -9.5990 -9.5990 -9.4506 -9.4506 -9.4485 -9.4485 -9.3276 -9.3276 -9.3108 -9.3108 -9.3097 -9.3097 -7.5742 -7.5742 -6.8067 -6.8067 -6.8028 -6.8028 -6.8026 -6.8026 -5.4038 -5.4038 -5.4028 -5.4028 -5.3997 -5.3997 -4.9754 -4.9754 -1.2940 -1.2940 -1.2862 -1.2862 -1.2839 -1.2839 -0.5682 -0.5682 -0.5596 -0.5596 -0.5560 -0.5560 -0.2945 -0.2945 -0.2899 -0.2899 3.4844 3.4844 3.4971 3.4971 3.4985 3.4985 3.5140 3.5140 3.5185 3.5185 4.1727 4.1727 k = 0.0000 0.0714-0.0000 ( 6887 PWs) bands (ev): -28.4735 -28.4735 -28.4332 -28.4332 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1403 -21.1403 -21.1208 -21.1208 -9.6137 -9.6137 -9.5989 -9.5989 -9.5982 -9.5982 -9.4516 -9.4516 -9.4479 -9.4479 -9.3291 -9.3291 -9.3126 -9.3126 -9.3107 -9.3107 -7.5682 -7.5682 -6.8092 -6.8092 -6.8023 -6.8023 -6.8020 -6.8020 -5.4052 -5.4052 -5.4038 -5.4038 -5.3983 -5.3983 -4.9786 -4.9786 -1.2900 -1.2900 -1.2826 -1.2826 -1.2783 -1.2783 -0.5696 -0.5696 -0.5615 -0.5615 -0.5548 -0.5548 -0.2994 -0.2994 -0.2912 -0.2912 3.4842 3.4842 3.4969 3.4969 3.4993 3.4993 3.5131 3.5131 3.5208 3.5208 4.1673 4.1673 k = 0.0000 0.0893-0.0000 ( 6895 PWs) bands (ev): -28.4732 -28.4732 -28.4335 -28.4335 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1402 -21.1402 -21.1210 -21.1210 -9.6128 -9.6128 -9.5983 -9.5983 -9.5971 -9.5971 -9.4529 -9.4529 -9.4471 -9.4471 -9.3310 -9.3310 -9.3148 -9.3148 -9.3120 -9.3120 -7.5606 -7.5606 -6.8124 -6.8124 -6.8015 -6.8015 -6.8012 -6.8012 -5.4071 -5.4071 -5.4050 -5.4050 -5.3964 -5.3964 -4.9828 -4.9828 -1.2850 -1.2850 -1.2781 -1.2781 -1.2709 -1.2709 -0.5717 -0.5717 -0.5640 -0.5640 -0.5531 -0.5531 -0.3057 -0.3057 -0.2928 -0.2928 3.4835 3.4835 3.4967 3.4967 3.5001 3.5001 3.5123 3.5123 3.5240 3.5240 4.1601 4.1601 k = 0.0000 0.1071-0.0000 ( 6891 PWs) bands (ev): -28.4728 -28.4728 -28.4339 -28.4339 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1400 -21.1400 -21.1212 -21.1212 -9.6118 -9.6118 -9.5975 -9.5975 -9.5957 -9.5957 -9.4545 -9.4545 -9.4462 -9.4462 -9.3335 -9.3335 -9.3174 -9.3174 -9.3136 -9.3136 -7.5513 -7.5513 -6.8164 -6.8164 -6.8007 -6.8007 -6.8002 -6.8002 -5.4093 -5.4093 -5.4064 -5.4064 -5.3940 -5.3940 -4.9878 -4.9878 -1.2792 -1.2792 -1.2725 -1.2725 -1.2619 -1.2619 -0.5745 -0.5745 -0.5671 -0.5671 -0.5508 -0.5508 -0.3133 -0.3133 -0.2949 -0.2949 3.4823 3.4823 3.4963 3.4963 3.5009 3.5009 3.5120 3.5120 3.5279 3.5279 4.1512 4.1512 k = 0.0000 0.1250-0.0000 ( 6883 PWs) bands (ev): -28.4724 -28.4724 -28.4343 -28.4343 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1398 -21.1398 -21.1214 -21.1214 -9.6106 -9.6106 -9.5965 -9.5965 -9.5942 -9.5942 -9.4563 -9.4563 -9.4451 -9.4451 -9.3364 -9.3364 -9.3204 -9.3204 -9.3154 -9.3154 -7.5405 -7.5405 -6.8211 -6.8211 -6.7997 -6.7997 -6.7990 -6.7990 -5.4118 -5.4118 -5.4081 -5.4081 -5.3913 -5.3913 -4.9936 -4.9936 -1.2726 -1.2726 -1.2661 -1.2661 -1.2511 -1.2511 -0.5778 -0.5778 -0.5707 -0.5707 -0.5480 -0.5480 -0.3223 -0.3223 -0.2973 -0.2973 3.4805 3.4805 3.4954 3.4954 3.5017 3.5017 3.5129 3.5129 3.5327 3.5327 4.1407 4.1407 k = 0.0000 0.1429-0.0000 ( 6867 PWs) bands (ev): -28.4719 -28.4719 -28.4348 -28.4348 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1396 -21.1396 -21.1216 -21.1216 -9.6093 -9.6093 -9.5953 -9.5953 -9.5924 -9.5924 -9.4584 -9.4584 -9.4438 -9.4438 -9.3398 -9.3398 -9.3235 -9.3235 -9.3175 -9.3175 -7.5283 -7.5283 -6.8266 -6.8266 -6.7985 -6.7985 -6.7978 -6.7978 -5.4146 -5.4146 -5.4100 -5.4100 -5.3881 -5.3881 -5.0002 -5.0002 -1.2651 -1.2651 -1.2588 -1.2588 -1.2387 -1.2387 -0.5818 -0.5818 -0.5748 -0.5748 -0.5447 -0.5447 -0.3327 -0.3327 -0.3000 -0.3000 3.4781 3.4781 3.4934 3.4934 3.5028 3.5028 3.5148 3.5148 3.5382 3.5382 4.1288 4.1289 k = 0.0000 0.1607-0.0000 ( 6863 PWs) bands (ev): -28.4714 -28.4714 -28.4353 -28.4353 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1394 -21.1394 -21.1219 -21.1219 -9.6078 -9.6078 -9.5940 -9.5940 -9.5904 -9.5904 -9.4608 -9.4608 -9.4424 -9.4424 -9.3437 -9.3437 -9.3269 -9.3269 -9.3197 -9.3197 -7.5146 -7.5146 -6.8329 -6.8329 -6.7973 -6.7973 -6.7964 -6.7964 -5.4177 -5.4177 -5.4121 -5.4121 -5.3844 -5.3844 -5.0076 -5.0076 -1.2568 -1.2568 -1.2507 -1.2507 -1.2248 -1.2248 -0.5863 -0.5863 -0.5794 -0.5794 -0.5409 -0.5409 -0.3444 -0.3444 -0.3032 -0.3032 3.4752 3.4752 3.4906 3.4906 3.5044 3.5044 3.5175 3.5175 3.5446 3.5446 4.1159 4.1159 k = 0.0000 0.1786-0.0000 ( 6863 PWs) bands (ev): -28.4708 -28.4708 -28.4359 -28.4359 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1391 -21.1391 -21.1222 -21.1222 -9.6062 -9.6062 -9.5925 -9.5925 -9.5883 -9.5883 -9.4633 -9.4633 -9.4408 -9.4408 -9.3480 -9.3480 -9.3305 -9.3305 -9.3222 -9.3222 -7.4996 -7.4996 -6.8400 -6.8400 -6.7960 -6.7960 -6.7949 -6.7949 -5.4209 -5.4209 -5.4144 -5.4144 -5.3803 -5.3803 -5.0158 -5.0158 -1.2479 -1.2479 -1.2419 -1.2419 -1.2094 -1.2094 -0.5913 -0.5913 -0.5845 -0.5845 -0.5367 -0.5367 -0.3574 -0.3574 -0.3066 -0.3066 3.4720 3.4720 3.4871 3.4871 3.5062 3.5062 3.5209 3.5209 3.5517 3.5517 4.1021 4.1021 k = 0.0000 0.1964-0.0000 ( 6867 PWs) bands (ev): -28.4702 -28.4702 -28.4365 -28.4365 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1388 -21.1388 -21.1225 -21.1225 -9.6045 -9.6045 -9.5908 -9.5908 -9.5859 -9.5859 -9.4662 -9.4662 -9.4390 -9.4390 -9.3526 -9.3526 -9.3343 -9.3343 -9.3248 -9.3248 -7.4834 -7.4834 -6.8480 -6.8480 -6.7946 -6.7946 -6.7933 -6.7933 -5.4242 -5.4242 -5.4168 -5.4168 -5.3757 -5.3757 -5.0246 -5.0246 -1.2382 -1.2382 -1.2324 -1.2324 -1.1925 -1.1925 -0.5968 -0.5968 -0.5901 -0.5901 -0.5322 -0.5322 -0.3716 -0.3716 -0.3104 -0.3104 3.4685 3.4685 3.4832 3.4832 3.5084 3.5084 3.5248 3.5248 3.5597 3.5597 4.0878 4.0878 k = 0.0000 0.2143-0.0000 ( 6868 PWs) bands (ev): -28.4695 -28.4695 -28.4372 -28.4372 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1385 -21.1385 -21.1228 -21.1228 -9.6026 -9.6026 -9.5890 -9.5890 -9.5834 -9.5834 -9.4692 -9.4692 -9.4371 -9.4371 -9.3576 -9.3576 -9.3382 -9.3382 -9.3277 -9.3277 -7.4661 -7.4661 -6.8568 -6.8568 -6.7931 -6.7931 -6.7917 -6.7917 -5.4277 -5.4277 -5.4194 -5.4194 -5.3706 -5.3706 -5.0341 -5.0341 -1.2280 -1.2280 -1.2223 -1.2223 -1.1743 -1.1743 -0.6028 -0.6028 -0.5961 -0.5961 -0.5272 -0.5272 -0.3872 -0.3872 -0.3145 -0.3145 3.4648 3.4648 3.4790 3.4790 3.5108 3.5108 3.5290 3.5290 3.5684 3.5684 4.0732 4.0732 k = 0.0000 0.2321-0.0000 ( 6860 PWs) bands (ev): -28.4687 -28.4687 -28.4380 -28.4380 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1381 -21.1381 -21.1232 -21.1232 -9.6007 -9.6007 -9.5870 -9.5870 -9.5808 -9.5808 -9.4724 -9.4724 -9.4351 -9.4351 -9.3627 -9.3627 -9.3422 -9.3422 -9.3306 -9.3306 -7.4477 -7.4477 -6.8664 -6.8664 -6.7915 -6.7915 -6.7900 -6.7900 -5.4311 -5.4311 -5.4221 -5.4221 -5.3651 -5.3651 -5.0441 -5.0441 -1.2173 -1.2173 -1.2118 -1.2118 -1.1548 -1.1548 -0.6092 -0.6092 -0.6026 -0.6026 -0.5219 -0.5219 -0.4039 -0.4039 -0.3190 -0.3190 3.4609 3.4609 3.4746 3.4746 3.5135 3.5135 3.5334 3.5334 3.5779 3.5779 4.0586 4.0586 k = 0.0000 0.2500-0.0000 ( 6896 PWs) bands (ev): -28.4679 -28.4679 -28.4388 -28.4388 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1377 -21.1377 -21.1236 -21.1236 -9.5986 -9.5986 -9.5848 -9.5848 -9.5781 -9.5781 -9.4758 -9.4758 -9.4329 -9.4329 -9.3679 -9.3679 -9.3464 -9.3464 -9.3338 -9.3338 -7.4284 -7.4284 -6.8770 -6.8770 -6.7900 -6.7900 -6.7884 -6.7884 -5.4345 -5.4345 -5.4249 -5.4249 -5.3591 -5.3591 -5.0547 -5.0547 -1.2062 -1.2062 -1.2008 -1.2008 -1.1342 -1.1342 -0.6159 -0.6159 -0.6094 -0.6094 -0.5162 -0.5162 -0.4218 -0.4218 -0.3238 -0.3238 3.4570 3.4570 3.4701 3.4701 3.5164 3.5164 3.5380 3.5380 3.5881 3.5881 4.0440 4.0440 k = 0.0000 0.2679-0.0000 ( 6872 PWs) bands (ev): -28.4671 -28.4671 -28.4396 -28.4396 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1373 -21.1373 -21.1240 -21.1240 -9.5964 -9.5964 -9.5825 -9.5825 -9.5753 -9.5753 -9.4794 -9.4794 -9.4306 -9.4306 -9.3730 -9.3730 -9.3507 -9.3507 -9.3370 -9.3370 -7.4083 -7.4083 -6.8885 -6.8885 -6.7884 -6.7884 -6.7867 -6.7867 -5.4378 -5.4378 -5.4278 -5.4278 -5.3527 -5.3527 -5.0658 -5.0658 -1.1948 -1.1948 -1.1895 -1.1895 -1.1123 -1.1123 -0.6230 -0.6230 -0.6165 -0.6165 -0.5103 -0.5103 -0.4407 -0.4407 -0.3288 -0.3288 3.4531 3.4531 3.4655 3.4655 3.5195 3.5195 3.5427 3.5427 3.5991 3.5991 4.0299 4.0299 k = 0.0000 0.2857-0.0000 ( 6864 PWs) bands (ev): -28.4662 -28.4662 -28.4405 -28.4405 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1369 -21.1369 -21.1244 -21.1244 -9.5942 -9.5942 -9.5800 -9.5800 -9.5725 -9.5725 -9.4831 -9.4831 -9.4282 -9.4282 -9.3781 -9.3781 -9.3551 -9.3551 -9.3404 -9.3404 -7.3874 -7.3874 -6.9008 -6.9008 -6.7868 -6.7868 -6.7851 -6.7851 -5.4410 -5.4410 -5.4307 -5.4307 -5.3457 -5.3457 -5.0773 -5.0773 -1.1832 -1.1832 -1.1781 -1.1781 -1.0894 -1.0894 -0.6302 -0.6302 -0.6239 -0.6239 -0.5042 -0.5042 -0.4608 -0.4608 -0.3342 -0.3342 3.4492 3.4492 3.4609 3.4609 3.5228 3.5228 3.5472 3.5472 3.6109 3.6109 4.0162 4.0162 k = 0.0000 0.3036-0.0000 ( 6884 PWs) bands (ev): -28.4653 -28.4653 -28.4414 -28.4414 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1365 -21.1365 -21.1249 -21.1249 -9.5918 -9.5918 -9.5775 -9.5775 -9.5697 -9.5697 -9.4869 -9.4869 -9.4256 -9.4256 -9.3830 -9.3830 -9.3596 -9.3596 -9.3438 -9.3438 -7.3658 -7.3658 -6.9141 -6.9141 -6.7853 -6.7853 -6.7835 -6.7835 -5.4441 -5.4441 -5.4336 -5.4336 -5.3383 -5.3383 -5.0891 -5.0891 -1.1715 -1.1715 -1.1666 -1.1666 -1.0656 -1.0656 -0.6376 -0.6376 -0.6315 -0.6315 -0.4983 -0.4983 -0.4814 -0.4814 -0.3399 -0.3399 3.4455 3.4455 3.4564 3.4564 3.5262 3.5262 3.5517 3.5517 3.6233 3.6233 4.0028 4.0028 k = 0.0000 0.3214-0.0000 ( 6904 PWs) bands (ev): -28.4643 -28.4643 -28.4424 -28.4424 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1360 -21.1360 -21.1254 -21.1254 -9.5894 -9.5894 -9.5749 -9.5749 -9.5669 -9.5669 -9.4909 -9.4909 -9.4230 -9.4230 -9.3875 -9.3875 -9.3641 -9.3641 -9.3474 -9.3474 -7.3437 -7.3437 -6.9283 -6.9283 -6.7838 -6.7838 -6.7820 -6.7820 -5.4468 -5.4468 -5.4364 -5.4364 -5.3304 -5.3304 -5.1013 -5.1013 -1.1599 -1.1599 -1.1552 -1.1552 -1.0409 -1.0409 -0.6451 -0.6451 -0.6392 -0.6392 -0.5055 -0.5055 -0.4895 -0.4895 -0.3458 -0.3458 3.4419 3.4419 3.4520 3.4520 3.5297 3.5297 3.5558 3.5558 3.6365 3.6365 3.9888 3.9888 k = 0.0000 0.3393-0.0000 ( 6896 PWs) bands (ev): -28.4633 -28.4633 -28.4434 -28.4434 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1355 -21.1355 -21.1259 -21.1259 -9.5869 -9.5869 -9.5723 -9.5723 -9.5641 -9.5641 -9.4950 -9.4950 -9.4203 -9.4203 -9.3916 -9.3916 -9.3685 -9.3685 -9.3510 -9.3510 -7.3212 -7.3212 -6.9434 -6.9434 -6.7823 -6.7823 -6.7806 -6.7806 -5.4494 -5.4494 -5.4393 -5.4393 -5.3220 -5.3220 -5.1137 -5.1137 -1.1485 -1.1485 -1.1441 -1.1441 -1.0154 -1.0154 -0.6525 -0.6525 -0.6468 -0.6468 -0.5279 -0.5279 -0.4832 -0.4832 -0.3519 -0.3519 3.4386 3.4386 3.4478 3.4478 3.5335 3.5335 3.5596 3.5596 3.6504 3.6504 3.9730 3.9730 k = 0.0000 0.3571-0.0000 ( 6876 PWs) bands (ev): -28.4623 -28.4623 -28.4444 -28.4444 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1351 -21.1351 -21.1264 -21.1264 -9.5844 -9.5844 -9.5699 -9.5699 -9.5612 -9.5612 -9.4991 -9.4991 -9.4177 -9.4177 -9.3952 -9.3952 -9.3729 -9.3729 -9.3547 -9.3547 -7.2984 -7.2984 -6.9593 -6.9593 -6.7810 -6.7810 -6.7793 -6.7793 -5.4516 -5.4516 -5.4420 -5.4420 -5.3131 -5.3131 -5.1263 -5.1263 -1.1375 -1.1375 -1.1334 -1.1334 -0.9892 -0.9892 -0.6597 -0.6597 -0.6544 -0.6544 -0.5517 -0.5517 -0.4762 -0.4762 -0.3583 -0.3583 3.4356 3.4356 3.4438 3.4438 3.5373 3.5373 3.5630 3.5630 3.6649 3.6649 3.9552 3.9552 k = 0.0000 0.3750-0.0000 ( 6876 PWs) bands (ev): -28.4612 -28.4612 -28.4455 -28.4455 -28.4327 -28.4327 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1345 -21.1345 -21.1269 -21.1269 -9.5818 -9.5818 -9.5677 -9.5677 -9.5583 -9.5583 -9.5033 -9.5033 -9.4151 -9.4151 -9.3981 -9.3981 -9.3772 -9.3772 -9.3584 -9.3584 -7.2753 -7.2753 -6.9761 -6.9761 -6.7797 -6.7797 -6.7782 -6.7782 -5.4535 -5.4535 -5.4446 -5.4446 -5.3038 -5.3038 -5.1390 -5.1390 -1.1271 -1.1271 -1.1233 -1.1233 -0.9624 -0.9624 -0.6665 -0.6665 -0.6616 -0.6616 -0.5765 -0.5765 -0.4690 -0.4690 -0.3649 -0.3649 3.4328 3.4328 3.4402 3.4402 3.5412 3.5412 3.5657 3.5657 3.6801 3.6801 3.9365 3.9365 k = 0.0000 0.3929-0.0000 ( 6900 PWs) bands (ev): -28.4602 -28.4602 -28.4465 -28.4465 -28.4327 -28.4327 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1340 -21.1340 -21.1274 -21.1274 -9.5792 -9.5792 -9.5659 -9.5659 -9.5553 -9.5553 -9.5076 -9.5076 -9.4128 -9.4128 -9.4002 -9.4002 -9.3812 -9.3812 -9.3622 -9.3622 -7.2520 -7.2520 -6.9938 -6.9938 -6.7785 -6.7785 -6.7772 -6.7772 -5.4551 -5.4551 -5.4471 -5.4471 -5.2941 -5.2941 -5.1518 -5.1518 -1.1175 -1.1175 -1.1141 -1.1141 -0.9352 -0.9352 -0.6729 -0.6729 -0.6685 -0.6685 -0.6020 -0.6020 -0.4616 -0.4616 -0.3718 -0.3718 3.4304 3.4304 3.4368 3.4368 3.5451 3.5451 3.5678 3.5678 3.6959 3.6959 3.9173 3.9173 k = 0.0000 0.4107-0.0000 ( 6896 PWs) bands (ev): -28.4591 -28.4591 -28.4476 -28.4476 -28.4327 -28.4327 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1335 -21.1335 -21.1280 -21.1280 -9.5767 -9.5767 -9.5646 -9.5646 -9.5520 -9.5520 -9.5118 -9.5118 -9.4110 -9.4110 -9.4013 -9.4013 -9.3847 -9.3847 -9.3659 -9.3659 -7.2288 -7.2288 -7.0122 -7.0122 -6.7775 -6.7775 -6.7763 -6.7763 -5.4563 -5.4563 -5.4493 -5.4493 -5.2839 -5.2839 -5.1646 -5.1646 -1.1088 -1.1088 -1.1059 -1.1059 -0.9074 -0.9074 -0.6786 -0.6786 -0.6748 -0.6748 -0.6281 -0.6281 -0.4540 -0.4540 -0.3788 -0.3788 3.4284 3.4284 3.4338 3.4338 3.5490 3.5490 3.5692 3.5692 3.7123 3.7123 3.8979 3.8979 k = 0.0000 0.4286-0.0000 ( 6900 PWs) bands (ev): -28.4579 -28.4579 -28.4488 -28.4488 -28.4327 -28.4327 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1330 -21.1330 -21.1285 -21.1285 -9.5742 -9.5742 -9.5639 -9.5639 -9.5485 -9.5485 -9.5161 -9.5161 -9.4099 -9.4099 -9.4014 -9.4014 -9.3875 -9.3875 -9.3696 -9.3696 -7.2055 -7.2055 -7.0314 -7.0314 -6.7766 -6.7766 -6.7756 -6.7756 -5.4572 -5.4572 -5.4514 -5.4514 -5.2733 -5.2733 -5.1775 -5.1775 -1.1013 -1.1013 -1.0989 -1.0989 -0.8794 -0.8794 -0.6835 -0.6835 -0.6803 -0.6803 -0.6548 -0.6548 -0.4464 -0.4464 -0.3859 -0.3859 3.4269 3.4269 3.4312 3.4312 3.5528 3.5528 3.5698 3.5698 3.7292 3.7292 3.8784 3.8784 k = 0.0000 0.4464-0.0000 ( 6888 PWs) bands (ev): -28.4568 -28.4568 -28.4499 -28.4499 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1324 -21.1324 -21.1291 -21.1291 -9.5719 -9.5719 -9.5637 -9.5637 -9.5449 -9.5449 -9.5204 -9.5204 -9.4091 -9.4091 -9.4015 -9.4015 -9.3888 -9.3888 -9.3733 -9.3733 -7.1824 -7.1824 -7.0514 -7.0514 -6.7759 -6.7759 -6.7751 -6.7751 -5.4577 -5.4577 -5.4532 -5.4532 -5.2623 -5.2623 -5.1902 -5.1902 -1.0951 -1.0951 -1.0932 -1.0932 -0.8511 -0.8511 -0.6875 -0.6875 -0.6850 -0.6850 -0.6820 -0.6820 -0.4388 -0.4388 -0.3932 -0.3932 3.4258 3.4258 3.4290 3.4290 3.5564 3.5564 3.5698 3.5698 3.7466 3.7466 3.8590 3.8590 k = 0.0000 0.4643-0.0000 ( 6876 PWs) bands (ev): -28.4557 -28.4557 -28.4510 -28.4510 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1319 -21.1319 -21.1296 -21.1296 -9.5697 -9.5697 -9.5640 -9.5640 -9.5410 -9.5410 -9.5246 -9.5246 -9.4083 -9.4083 -9.4024 -9.4024 -9.3883 -9.3883 -9.3769 -9.3769 -7.1596 -7.1596 -7.0719 -7.0719 -6.7753 -6.7753 -6.7748 -6.7748 -5.4578 -5.4578 -5.4547 -5.4547 -5.2510 -5.2510 -5.2028 -5.2028 -1.0904 -1.0904 -1.0892 -1.0892 -0.8227 -0.8227 -0.7097 -0.7097 -0.6902 -0.6902 -0.6885 -0.6885 -0.4311 -0.4311 -0.4007 -0.4007 3.4251 3.4251 3.4273 3.4273 3.5598 3.5598 3.5690 3.5690 3.7645 3.7645 3.8396 3.8396 k = 0.0000 0.4821-0.0000 ( 6876 PWs) bands (ev): -28.4545 -28.4545 -28.4522 -28.4522 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1313 -21.1313 -21.1302 -21.1302 -9.5678 -9.5678 -9.5649 -9.5649 -9.5371 -9.5371 -9.5289 -9.5289 -9.4072 -9.4072 -9.4040 -9.4040 -9.3864 -9.3864 -9.3804 -9.3804 -7.1370 -7.1370 -7.0931 -7.0931 -6.7749 -6.7749 -6.7747 -6.7747 -5.4575 -5.4575 -5.4560 -5.4560 -5.2393 -5.2393 -5.2152 -5.2152 -1.0875 -1.0875 -1.0868 -1.0868 -0.7943 -0.7943 -0.7377 -0.7377 -0.6917 -0.6917 -0.6909 -0.6909 -0.4234 -0.4234 -0.4082 -0.4082 3.4249 3.4249 3.4261 3.4261 3.5628 3.5628 3.5675 3.5675 3.7828 3.7828 3.8204 3.8204 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1307 -21.1307 -21.1307 -21.1307 -9.5661 -9.5661 -9.5661 -9.5661 -9.5330 -9.5330 -9.5330 -9.5330 -9.4057 -9.4057 -9.4057 -9.4057 -9.3836 -9.3836 -9.3836 -9.3836 -7.1148 -7.1148 -7.1148 -7.1148 -6.7747 -6.7747 -6.7747 -6.7747 -5.4569 -5.4569 -5.4569 -5.4569 -5.2274 -5.2274 -5.2274 -5.2274 -1.0862 -1.0862 -1.0862 -1.0862 -0.7659 -0.7659 -0.7659 -0.7659 -0.6920 -0.6920 -0.6920 -0.6920 -0.4158 -0.4158 -0.4158 -0.4158 3.4253 3.4253 3.4253 3.4253 3.5654 3.5654 3.5654 3.5654 3.8015 3.8015 3.8015 3.8015 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1307 -21.1307 -21.1307 -21.1307 -9.5661 -9.5661 -9.5661 -9.5661 -9.5330 -9.5330 -9.5330 -9.5330 -9.4057 -9.4057 -9.4057 -9.4057 -9.3836 -9.3836 -9.3836 -9.3836 -7.1148 -7.1148 -7.1148 -7.1148 -6.7747 -6.7747 -6.7747 -6.7747 -5.4569 -5.4569 -5.4569 -5.4569 -5.2274 -5.2274 -5.2274 -5.2274 -1.0862 -1.0862 -1.0862 -1.0862 -0.7659 -0.7659 -0.7659 -0.7659 -0.6920 -0.6920 -0.6920 -0.6920 -0.4158 -0.4158 -0.4158 -0.4158 3.4253 3.4253 3.4253 3.4253 3.5654 3.5654 3.5654 3.5654 3.8015 3.8015 3.8015 3.8015 k = 0.0179 0.5000-0.0000 ( 6866 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5662 -9.5662 -9.5662 -9.5662 -9.5331 -9.5331 -9.5331 -9.5331 -9.4056 -9.4056 -9.4056 -9.4056 -9.3835 -9.3835 -9.3835 -9.3835 -7.1145 -7.1145 -7.1145 -7.1145 -6.7750 -6.7750 -6.7750 -6.7750 -5.4568 -5.4568 -5.4568 -5.4568 -5.2276 -5.2276 -5.2276 -5.2276 -1.0857 -1.0857 -1.0857 -1.0857 -0.7658 -0.7658 -0.7658 -0.7658 -0.6920 -0.6920 -0.6920 -0.6920 -0.4162 -0.4162 -0.4162 -0.4162 3.4253 3.4253 3.4253 3.4253 3.5653 3.5653 3.5653 3.5653 3.8015 3.8015 3.8015 3.8015 k = 0.0357 0.5000-0.0000 ( 6878 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5665 -9.5665 -9.5665 -9.5665 -9.5335 -9.5335 -9.5335 -9.5335 -9.4053 -9.4053 -9.4053 -9.4053 -9.3833 -9.3833 -9.3833 -9.3833 -7.1137 -7.1137 -7.1137 -7.1137 -6.7757 -6.7757 -6.7757 -6.7757 -5.4563 -5.4563 -5.4563 -5.4563 -5.2282 -5.2282 -5.2282 -5.2282 -1.0839 -1.0839 -1.0839 -1.0839 -0.7655 -0.7655 -0.7655 -0.7655 -0.6920 -0.6920 -0.6920 -0.6920 -0.4176 -0.4176 -0.4176 -0.4176 3.4253 3.4253 3.4253 3.4253 3.5648 3.5648 3.5648 3.5648 3.8018 3.8018 3.8018 3.8018 k = 0.0536 0.5000-0.0000 ( 6874 PWs) bands (ev): -28.4532 -28.4532 -28.4532 -28.4532 -28.4328 -28.4328 -28.4328 -28.4328 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5669 -9.5669 -9.5669 -9.5669 -9.5340 -9.5340 -9.5340 -9.5340 -9.4047 -9.4047 -9.4047 -9.4047 -9.3830 -9.3830 -9.3830 -9.3830 -7.1124 -7.1124 -7.1124 -7.1124 -6.7770 -6.7770 -6.7770 -6.7770 -5.4555 -5.4555 -5.4555 -5.4555 -5.2293 -5.2293 -5.2293 -5.2293 -1.0811 -1.0811 -1.0811 -1.0811 -0.7650 -0.7650 -0.7650 -0.7650 -0.6920 -0.6920 -0.6920 -0.6920 -0.4198 -0.4198 -0.4198 -0.4198 3.4253 3.4253 3.4253 3.4253 3.5641 3.5641 3.5641 3.5641 3.8022 3.8022 3.8022 3.8022 k = 0.0714 0.5000-0.0000 ( 6870 PWs) bands (ev): -28.4531 -28.4531 -28.4531 -28.4531 -28.4329 -28.4329 -28.4329 -28.4329 -21.1405 -21.1405 -21.1405 -21.1405 -21.1309 -21.1309 -21.1309 -21.1309 -9.5674 -9.5674 -9.5674 -9.5674 -9.5348 -9.5348 -9.5348 -9.5348 -9.4040 -9.4040 -9.4040 -9.4040 -9.3826 -9.3826 -9.3826 -9.3826 -7.1105 -7.1105 -7.1105 -7.1105 -6.7788 -6.7788 -6.7788 -6.7788 -5.4544 -5.4544 -5.4544 -5.4544 -5.2307 -5.2307 -5.2307 -5.2307 -1.0771 -1.0771 -1.0771 -1.0771 -0.7644 -0.7644 -0.7644 -0.7644 -0.6920 -0.6920 -0.6920 -0.6920 -0.4229 -0.4229 -0.4229 -0.4229 3.4253 3.4253 3.4253 3.4253 3.5631 3.5631 3.5631 3.5631 3.8028 3.8028 3.8028 3.8028 k = 0.0893 0.5000-0.0000 ( 6878 PWs) bands (ev): -28.4529 -28.4529 -28.4529 -28.4529 -28.4330 -28.4330 -28.4330 -28.4330 -21.1404 -21.1404 -21.1404 -21.1404 -21.1310 -21.1310 -21.1310 -21.1310 -9.5681 -9.5681 -9.5681 -9.5681 -9.5358 -9.5358 -9.5358 -9.5358 -9.4031 -9.4031 -9.4031 -9.4031 -9.3821 -9.3821 -9.3821 -9.3821 -7.1081 -7.1081 -7.1081 -7.1081 -6.7812 -6.7812 -6.7812 -6.7812 -5.4530 -5.4530 -5.4530 -5.4530 -5.2325 -5.2325 -5.2325 -5.2325 -1.0719 -1.0719 -1.0719 -1.0719 -0.7635 -0.7635 -0.7635 -0.7635 -0.6920 -0.6920 -0.6920 -0.6920 -0.4270 -0.4270 -0.4270 -0.4270 3.4254 3.4254 3.4254 3.4254 3.5618 3.5618 3.5618 3.5618 3.8035 3.8035 3.8035 3.8035 k = 0.1071 0.5000-0.0000 ( 6870 PWs) bands (ev): -28.4528 -28.4528 -28.4528 -28.4528 -28.4332 -28.4332 -28.4332 -28.4332 -21.1404 -21.1404 -21.1404 -21.1404 -21.1311 -21.1311 -21.1311 -21.1311 -9.5689 -9.5689 -9.5689 -9.5689 -9.5369 -9.5369 -9.5369 -9.5369 -9.4020 -9.4020 -9.4020 -9.4020 -9.3815 -9.3815 -9.3815 -9.3815 -7.1051 -7.1051 -7.1051 -7.1051 -6.7840 -6.7840 -6.7840 -6.7840 -5.4512 -5.4512 -5.4512 -5.4512 -5.2347 -5.2347 -5.2347 -5.2347 -1.0657 -1.0657 -1.0657 -1.0657 -0.7625 -0.7625 -0.7625 -0.7625 -0.6920 -0.6920 -0.6920 -0.6920 -0.4318 -0.4318 -0.4318 -0.4318 3.4255 3.4255 3.4255 3.4255 3.5602 3.5602 3.5602 3.5602 3.8044 3.8044 3.8044 3.8044 k = 0.1250 0.5000-0.0000 ( 6874 PWs) bands (ev): -28.4525 -28.4525 -28.4525 -28.4525 -28.4334 -28.4334 -28.4334 -28.4334 -21.1403 -21.1403 -21.1403 -21.1403 -21.1312 -21.1312 -21.1312 -21.1312 -9.5698 -9.5698 -9.5698 -9.5698 -9.5383 -9.5383 -9.5383 -9.5383 -9.4008 -9.4008 -9.4008 -9.4008 -9.3808 -9.3808 -9.3808 -9.3808 -7.1017 -7.1017 -7.1017 -7.1017 -6.7873 -6.7873 -6.7873 -6.7873 -5.4492 -5.4492 -5.4492 -5.4492 -5.2373 -5.2373 -5.2373 -5.2373 -1.0584 -1.0584 -1.0584 -1.0584 -0.7613 -0.7613 -0.7613 -0.7613 -0.6920 -0.6920 -0.6920 -0.6920 -0.4376 -0.4376 -0.4376 -0.4376 3.4256 3.4256 3.4256 3.4256 3.5583 3.5583 3.5583 3.5583 3.8055 3.8055 3.8055 3.8055 k = 0.1429 0.5000-0.0000 ( 6858 PWs) bands (ev): -28.4523 -28.4523 -28.4523 -28.4523 -28.4337 -28.4337 -28.4337 -28.4337 -21.1402 -21.1402 -21.1402 -21.1402 -21.1313 -21.1313 -21.1313 -21.1313 -9.5708 -9.5708 -9.5708 -9.5708 -9.5398 -9.5398 -9.5398 -9.5398 -9.3995 -9.3995 -9.3995 -9.3995 -9.3800 -9.3800 -9.3800 -9.3800 -7.0977 -7.0977 -7.0977 -7.0977 -6.7911 -6.7911 -6.7911 -6.7911 -5.4468 -5.4468 -5.4468 -5.4468 -5.2403 -5.2403 -5.2403 -5.2403 -1.0501 -1.0501 -1.0501 -1.0501 -0.7599 -0.7599 -0.7599 -0.7599 -0.6920 -0.6920 -0.6920 -0.6920 -0.4442 -0.4442 -0.4442 -0.4442 3.4258 3.4258 3.4258 3.4258 3.5561 3.5561 3.5561 3.5561 3.8067 3.8067 3.8067 3.8067 k = 0.1607 0.5000-0.0000 ( 6864 PWs) bands (ev): -28.4520 -28.4520 -28.4520 -28.4520 -28.4339 -28.4339 -28.4339 -28.4339 -21.1401 -21.1401 -21.1401 -21.1401 -21.1314 -21.1314 -21.1314 -21.1314 -9.5719 -9.5719 -9.5719 -9.5719 -9.5414 -9.5414 -9.5414 -9.5414 -9.3981 -9.3981 -9.3981 -9.3981 -9.3792 -9.3792 -9.3792 -9.3792 -7.0933 -7.0933 -7.0933 -7.0933 -6.7954 -6.7954 -6.7954 -6.7954 -5.4442 -5.4442 -5.4442 -5.4442 -5.2436 -5.2436 -5.2436 -5.2436 -1.0408 -1.0408 -1.0408 -1.0408 -0.7584 -0.7584 -0.7584 -0.7584 -0.6920 -0.6920 -0.6920 -0.6920 -0.4517 -0.4517 -0.4517 -0.4517 3.4260 3.4260 3.4260 3.4260 3.5536 3.5536 3.5536 3.5536 3.8081 3.8081 3.8081 3.8081 k = 0.1786 0.5000-0.0000 ( 6862 PWs) bands (ev): -28.4517 -28.4517 -28.4517 -28.4517 -28.4342 -28.4342 -28.4342 -28.4342 -21.1399 -21.1399 -21.1399 -21.1399 -21.1316 -21.1316 -21.1316 -21.1316 -9.5730 -9.5730 -9.5730 -9.5730 -9.5432 -9.5432 -9.5432 -9.5432 -9.3966 -9.3966 -9.3966 -9.3966 -9.3783 -9.3783 -9.3783 -9.3783 -7.0884 -7.0884 -7.0884 -7.0884 -6.8001 -6.8001 -6.8001 -6.8001 -5.4413 -5.4413 -5.4413 -5.4413 -5.2473 -5.2473 -5.2473 -5.2473 -1.0305 -1.0305 -1.0305 -1.0305 -0.7568 -0.7568 -0.7568 -0.7568 -0.6921 -0.6921 -0.6921 -0.6921 -0.4599 -0.4599 -0.4599 -0.4599 3.4264 3.4264 3.4264 3.4264 3.5507 3.5507 3.5507 3.5507 3.8096 3.8096 3.8096 3.8096 k = 0.1964 0.5000-0.0000 ( 6866 PWs) bands (ev): -28.4514 -28.4514 -28.4514 -28.4514 -28.4345 -28.4345 -28.4345 -28.4345 -21.1398 -21.1398 -21.1398 -21.1398 -21.1317 -21.1317 -21.1317 -21.1317 -9.5741 -9.5741 -9.5741 -9.5741 -9.5450 -9.5450 -9.5450 -9.5450 -9.3950 -9.3950 -9.3950 -9.3950 -9.3773 -9.3773 -9.3773 -9.3773 -7.0830 -7.0830 -7.0830 -7.0830 -6.8053 -6.8053 -6.8053 -6.8053 -5.4381 -5.4381 -5.4381 -5.4381 -5.2513 -5.2513 -5.2513 -5.2513 -1.0193 -1.0193 -1.0193 -1.0193 -0.7551 -0.7551 -0.7551 -0.7551 -0.6922 -0.6922 -0.6922 -0.6922 -0.4690 -0.4690 -0.4690 -0.4690 3.4268 3.4268 3.4268 3.4268 3.5476 3.5476 3.5476 3.5476 3.8112 3.8112 3.8112 3.8112 k = 0.2143 0.5000-0.0000 ( 6870 PWs) bands (ev): -28.4511 -28.4511 -28.4511 -28.4511 -28.4349 -28.4349 -28.4349 -28.4349 -21.1396 -21.1396 -21.1396 -21.1396 -21.1319 -21.1319 -21.1319 -21.1319 -9.5752 -9.5752 -9.5752 -9.5752 -9.5469 -9.5469 -9.5469 -9.5469 -9.3935 -9.3935 -9.3935 -9.3935 -9.3763 -9.3763 -9.3763 -9.3763 -7.0772 -7.0772 -7.0772 -7.0772 -6.8109 -6.8109 -6.8109 -6.8109 -5.4346 -5.4346 -5.4346 -5.4346 -5.2556 -5.2556 -5.2556 -5.2556 -1.0072 -1.0072 -1.0072 -1.0072 -0.7533 -0.7533 -0.7533 -0.7533 -0.6923 -0.6923 -0.6923 -0.6923 -0.4788 -0.4788 -0.4788 -0.4788 3.4274 3.4274 3.4274 3.4274 3.5441 3.5441 3.5441 3.5441 3.8129 3.8129 3.8129 3.8129 k = 0.2321 0.5000-0.0000 ( 6864 PWs) bands (ev): -28.4507 -28.4507 -28.4507 -28.4507 -28.4352 -28.4352 -28.4352 -28.4352 -21.1395 -21.1395 -21.1395 -21.1395 -21.1321 -21.1321 -21.1321 -21.1321 -9.5762 -9.5762 -9.5762 -9.5762 -9.5489 -9.5489 -9.5489 -9.5489 -9.3919 -9.3919 -9.3919 -9.3919 -9.3753 -9.3753 -9.3753 -9.3753 -7.0709 -7.0709 -7.0709 -7.0709 -6.8169 -6.8169 -6.8169 -6.8169 -5.4308 -5.4308 -5.4308 -5.4308 -5.2602 -5.2602 -5.2602 -5.2602 -0.9943 -0.9943 -0.9943 -0.9943 -0.7514 -0.7514 -0.7514 -0.7514 -0.6924 -0.6924 -0.6924 -0.6924 -0.4894 -0.4894 -0.4894 -0.4894 3.4281 3.4281 3.4281 3.4281 3.5403 3.5403 3.5403 3.5403 3.8148 3.8148 3.8148 3.8148 k = 0.2500 0.5000-0.0000 ( 6856 PWs) bands (ev): -28.4503 -28.4503 -28.4503 -28.4503 -28.4356 -28.4356 -28.4356 -28.4356 -21.1393 -21.1393 -21.1393 -21.1393 -21.1323 -21.1323 -21.1323 -21.1323 -9.5773 -9.5773 -9.5773 -9.5773 -9.5509 -9.5509 -9.5509 -9.5509 -9.3904 -9.3904 -9.3904 -9.3904 -9.3744 -9.3744 -9.3744 -9.3744 -7.0643 -7.0643 -7.0643 -7.0643 -6.8234 -6.8234 -6.8234 -6.8234 -5.4268 -5.4268 -5.4268 -5.4268 -5.2651 -5.2651 -5.2651 -5.2651 -0.9806 -0.9806 -0.9806 -0.9806 -0.7495 -0.7495 -0.7495 -0.7495 -0.6926 -0.6926 -0.6926 -0.6926 -0.5008 -0.5008 -0.5008 -0.5008 3.4289 3.4289 3.4289 3.4289 3.5363 3.5363 3.5363 3.5363 3.8168 3.8168 3.8168 3.8168 k = 0.2679 0.5000-0.0000 ( 6862 PWs) bands (ev): -28.4498 -28.4498 -28.4498 -28.4498 -28.4361 -28.4361 -28.4361 -28.4361 -21.1391 -21.1391 -21.1391 -21.1391 -21.1325 -21.1325 -21.1325 -21.1325 -9.5782 -9.5782 -9.5782 -9.5782 -9.5530 -9.5530 -9.5530 -9.5530 -9.3888 -9.3888 -9.3888 -9.3888 -9.3734 -9.3734 -9.3734 -9.3734 -7.0572 -7.0572 -7.0572 -7.0572 -6.8302 -6.8302 -6.8302 -6.8302 -5.4225 -5.4225 -5.4225 -5.4225 -5.2702 -5.2702 -5.2702 -5.2702 -0.9662 -0.9662 -0.9662 -0.9662 -0.7476 -0.7476 -0.7476 -0.7476 -0.6928 -0.6928 -0.6928 -0.6928 -0.5128 -0.5128 -0.5128 -0.5128 3.4299 3.4299 3.4299 3.4299 3.5319 3.5319 3.5319 3.5319 3.8189 3.8189 3.8189 3.8189 k = 0.2857 0.5000-0.0000 ( 6870 PWs) bands (ev): -28.4494 -28.4494 -28.4494 -28.4494 -28.4365 -28.4365 -28.4365 -28.4365 -21.1389 -21.1389 -21.1389 -21.1389 -21.1328 -21.1328 -21.1328 -21.1328 -9.5791 -9.5791 -9.5791 -9.5791 -9.5550 -9.5550 -9.5550 -9.5550 -9.3874 -9.3874 -9.3874 -9.3874 -9.3724 -9.3724 -9.3724 -9.3724 -7.0499 -7.0499 -7.0499 -7.0499 -6.8374 -6.8374 -6.8374 -6.8374 -5.4180 -5.4180 -5.4180 -5.4180 -5.2755 -5.2755 -5.2755 -5.2755 -0.9512 -0.9512 -0.9512 -0.9512 -0.7456 -0.7456 -0.7456 -0.7456 -0.6931 -0.6931 -0.6931 -0.6931 -0.5254 -0.5254 -0.5254 -0.5254 3.4312 3.4312 3.4312 3.4312 3.5273 3.5273 3.5273 3.5273 3.8211 3.8211 3.8211 3.8211 k = 0.3036 0.5000-0.0000 ( 6876 PWs) bands (ev): -28.4489 -28.4489 -28.4489 -28.4489 -28.4370 -28.4370 -28.4370 -28.4370 -21.1387 -21.1387 -21.1387 -21.1387 -21.1330 -21.1330 -21.1330 -21.1330 -9.5799 -9.5799 -9.5799 -9.5799 -9.5570 -9.5570 -9.5570 -9.5570 -9.3860 -9.3860 -9.3860 -9.3860 -9.3715 -9.3715 -9.3715 -9.3715 -7.0421 -7.0421 -7.0421 -7.0421 -6.8449 -6.8449 -6.8449 -6.8449 -5.4132 -5.4132 -5.4132 -5.4132 -5.2811 -5.2811 -5.2811 -5.2811 -0.9356 -0.9356 -0.9356 -0.9356 -0.7438 -0.7438 -0.7438 -0.7438 -0.6933 -0.6933 -0.6933 -0.6933 -0.5387 -0.5387 -0.5387 -0.5387 3.4326 3.4326 3.4326 3.4326 3.5225 3.5225 3.5225 3.5225 3.8234 3.8234 3.8234 3.8234 k = 0.3214 0.5000-0.0000 ( 6880 PWs) bands (ev): -28.4484 -28.4484 -28.4484 -28.4484 -28.4375 -28.4375 -28.4375 -28.4375 -21.1385 -21.1385 -21.1385 -21.1385 -21.1332 -21.1332 -21.1332 -21.1332 -9.5807 -9.5807 -9.5807 -9.5807 -9.5590 -9.5590 -9.5590 -9.5590 -9.3847 -9.3847 -9.3847 -9.3847 -9.3706 -9.3706 -9.3706 -9.3706 -7.0341 -7.0341 -7.0341 -7.0341 -6.8527 -6.8527 -6.8527 -6.8527 -5.4083 -5.4083 -5.4083 -5.4083 -5.2868 -5.2868 -5.2868 -5.2868 -0.9196 -0.9196 -0.9196 -0.9196 -0.7420 -0.7420 -0.7420 -0.7420 -0.6936 -0.6936 -0.6936 -0.6936 -0.5524 -0.5524 -0.5524 -0.5524 3.4342 3.4342 3.4342 3.4342 3.5176 3.5176 3.5176 3.5176 3.8258 3.8258 3.8258 3.8258 k = 0.3393 0.5000-0.0000 ( 6884 PWs) bands (ev): -28.4479 -28.4479 -28.4479 -28.4479 -28.4379 -28.4379 -28.4379 -28.4379 -21.1383 -21.1383 -21.1383 -21.1383 -21.1335 -21.1335 -21.1335 -21.1335 -9.5813 -9.5813 -9.5813 -9.5813 -9.5609 -9.5609 -9.5609 -9.5609 -9.3835 -9.3835 -9.3835 -9.3835 -9.3697 -9.3697 -9.3697 -9.3697 -7.0258 -7.0258 -7.0258 -7.0258 -6.8609 -6.8609 -6.8609 -6.8609 -5.4031 -5.4031 -5.4031 -5.4031 -5.2927 -5.2927 -5.2927 -5.2927 -0.9031 -0.9031 -0.9031 -0.9031 -0.7404 -0.7404 -0.7404 -0.7404 -0.6939 -0.6939 -0.6939 -0.6939 -0.5667 -0.5667 -0.5667 -0.5667 3.4361 3.4361 3.4361 3.4361 3.5125 3.5125 3.5125 3.5125 3.8283 3.8283 3.8283 3.8283 k = 0.3571 0.5000-0.0000 ( 6880 PWs) bands (ev): -28.4474 -28.4474 -28.4474 -28.4474 -28.4385 -28.4385 -28.4385 -28.4385 -21.1380 -21.1380 -21.1380 -21.1380 -21.1337 -21.1337 -21.1337 -21.1337 -9.5818 -9.5818 -9.5818 -9.5818 -9.5627 -9.5627 -9.5627 -9.5627 -9.3823 -9.3823 -9.3823 -9.3823 -9.3690 -9.3690 -9.3690 -9.3690 -7.0172 -7.0172 -7.0172 -7.0172 -6.8693 -6.8693 -6.8693 -6.8693 -5.3977 -5.3977 -5.3977 -5.3977 -5.2987 -5.2987 -5.2987 -5.2987 -0.8863 -0.8863 -0.8863 -0.8863 -0.7389 -0.7389 -0.7389 -0.7389 -0.6942 -0.6942 -0.6942 -0.6942 -0.5813 -0.5813 -0.5813 -0.5813 3.4382 3.4382 3.4382 3.4382 3.5073 3.5073 3.5073 3.5073 3.8309 3.8309 3.8309 3.8309 k = 0.3750 0.5000-0.0000 ( 6870 PWs) bands (ev): -28.4469 -28.4469 -28.4469 -28.4469 -28.4390 -28.4390 -28.4390 -28.4390 -21.1378 -21.1378 -21.1378 -21.1378 -21.1340 -21.1340 -21.1340 -21.1340 -9.5822 -9.5822 -9.5822 -9.5822 -9.5644 -9.5644 -9.5644 -9.5644 -9.3813 -9.3813 -9.3813 -9.3813 -9.3682 -9.3682 -9.3682 -9.3682 -7.0084 -7.0084 -7.0084 -7.0084 -6.8779 -6.8779 -6.8779 -6.8779 -5.3922 -5.3922 -5.3922 -5.3922 -5.3049 -5.3049 -5.3049 -5.3049 -0.8692 -0.8692 -0.8692 -0.8692 -0.7377 -0.7377 -0.7377 -0.7377 -0.6944 -0.6944 -0.6944 -0.6944 -0.5962 -0.5962 -0.5962 -0.5962 3.4407 3.4407 3.4407 3.4407 3.5020 3.5020 3.5020 3.5020 3.8335 3.8335 3.8335 3.8335 k = 0.3929 0.5000-0.0000 ( 6868 PWs) bands (ev): -28.4464 -28.4464 -28.4464 -28.4464 -28.4395 -28.4395 -28.4395 -28.4395 -21.1375 -21.1375 -21.1375 -21.1375 -21.1343 -21.1343 -21.1343 -21.1343 -9.5825 -9.5825 -9.5825 -9.5825 -9.5660 -9.5660 -9.5660 -9.5660 -9.3805 -9.3805 -9.3805 -9.3805 -9.3676 -9.3676 -9.3676 -9.3676 -6.9994 -6.9994 -6.9994 -6.9994 -6.8868 -6.8868 -6.8868 -6.8868 -5.3865 -5.3865 -5.3865 -5.3865 -5.3112 -5.3112 -5.3112 -5.3112 -0.8521 -0.8521 -0.8521 -0.8521 -0.7370 -0.7370 -0.7370 -0.7370 -0.6945 -0.6945 -0.6945 -0.6945 -0.6113 -0.6113 -0.6113 -0.6113 3.4433 3.4433 3.4433 3.4433 3.4968 3.4968 3.4968 3.4968 3.8362 3.8362 3.8362 3.8362 k = 0.4107 0.5000-0.0000 ( 6876 PWs) bands (ev): -28.4458 -28.4458 -28.4458 -28.4458 -28.4401 -28.4401 -28.4401 -28.4401 -21.1373 -21.1373 -21.1373 -21.1373 -21.1345 -21.1345 -21.1345 -21.1345 -9.5826 -9.5826 -9.5826 -9.5826 -9.5674 -9.5674 -9.5674 -9.5674 -9.3797 -9.3797 -9.3797 -9.3797 -9.3671 -9.3671 -9.3671 -9.3671 -6.9903 -6.9903 -6.9903 -6.9903 -6.8958 -6.8958 -6.8958 -6.8958 -5.3806 -5.3806 -5.3806 -5.3806 -5.3175 -5.3175 -5.3175 -5.3175 -0.8350 -0.8350 -0.8350 -0.8350 -0.7369 -0.7369 -0.7369 -0.7369 -0.6944 -0.6944 -0.6944 -0.6944 -0.6262 -0.6262 -0.6262 -0.6262 3.4462 3.4462 3.4462 3.4462 3.4916 3.4916 3.4916 3.4916 3.8390 3.8390 3.8390 3.8390 k = 0.4286 0.5000-0.0000 ( 6880 PWs) bands (ev): -28.4452 -28.4452 -28.4452 -28.4452 -28.4406 -28.4406 -28.4406 -28.4406 -21.1370 -21.1370 -21.1370 -21.1370 -21.1348 -21.1348 -21.1348 -21.1348 -9.5828 -9.5828 -9.5828 -9.5828 -9.5686 -9.5686 -9.5686 -9.5686 -9.3791 -9.3791 -9.3791 -9.3791 -9.3666 -9.3666 -9.3666 -9.3666 -6.9810 -6.9810 -6.9810 -6.9810 -6.9050 -6.9050 -6.9050 -6.9050 -5.3746 -5.3746 -5.3746 -5.3746 -5.3239 -5.3239 -5.3239 -5.3239 -0.8181 -0.8181 -0.8181 -0.8181 -0.7377 -0.7377 -0.7377 -0.7377 -0.6940 -0.6940 -0.6940 -0.6940 -0.6407 -0.6407 -0.6407 -0.6407 3.4494 3.4494 3.4494 3.4494 3.4865 3.4865 3.4865 3.4865 3.8418 3.8418 3.8418 3.8418 k = 0.4464 0.5000-0.0000 ( 6878 PWs) bands (ev): -28.4447 -28.4447 -28.4447 -28.4447 -28.4412 -28.4412 -28.4412 -28.4412 -21.1367 -21.1367 -21.1367 -21.1367 -21.1351 -21.1351 -21.1351 -21.1351 -9.5828 -9.5828 -9.5828 -9.5828 -9.5696 -9.5696 -9.5696 -9.5696 -9.3786 -9.3786 -9.3786 -9.3786 -9.3663 -9.3663 -9.3663 -9.3663 -6.9715 -6.9715 -6.9715 -6.9715 -6.9144 -6.9144 -6.9144 -6.9144 -5.3685 -5.3685 -5.3685 -5.3685 -5.3303 -5.3303 -5.3303 -5.3303 -0.8017 -0.8017 -0.8017 -0.8017 -0.7398 -0.7398 -0.7398 -0.7398 -0.6931 -0.6931 -0.6931 -0.6931 -0.6543 -0.6543 -0.6543 -0.6543 3.4527 3.4527 3.4527 3.4527 3.4816 3.4816 3.4816 3.4816 3.8446 3.8446 3.8446 3.8446 k = 0.4643 0.5000-0.0000 ( 6874 PWs) bands (ev): -28.4441 -28.4441 -28.4441 -28.4441 -28.4418 -28.4418 -28.4418 -28.4418 -21.1365 -21.1365 -21.1365 -21.1365 -21.1354 -21.1354 -21.1354 -21.1354 -9.5828 -9.5828 -9.5828 -9.5828 -9.5703 -9.5703 -9.5703 -9.5703 -9.3782 -9.3782 -9.3782 -9.3782 -9.3660 -9.3660 -9.3660 -9.3660 -6.9620 -6.9620 -6.9620 -6.9620 -6.9238 -6.9238 -6.9238 -6.9238 -5.3623 -5.3623 -5.3623 -5.3623 -5.3368 -5.3368 -5.3368 -5.3368 -0.7862 -0.7862 -0.7862 -0.7862 -0.7438 -0.7438 -0.7438 -0.7438 -0.6914 -0.6914 -0.6914 -0.6914 -0.6664 -0.6664 -0.6664 -0.6664 3.4561 3.4561 3.4561 3.4561 3.4771 3.4771 3.4771 3.4771 3.8473 3.8473 3.8473 3.8473 k = 0.4821 0.5000-0.0000 ( 6876 PWs) bands (ev): -28.4435 -28.4435 -28.4435 -28.4435 -28.4424 -28.4424 -28.4424 -28.4424 -21.1362 -21.1362 -21.1362 -21.1362 -21.1356 -21.1356 -21.1356 -21.1356 -9.5828 -9.5828 -9.5828 -9.5828 -9.5708 -9.5708 -9.5708 -9.5708 -9.3780 -9.3780 -9.3780 -9.3780 -9.3658 -9.3658 -9.3658 -9.3658 -6.9525 -6.9525 -6.9525 -6.9525 -6.9333 -6.9333 -6.9333 -6.9333 -5.3560 -5.3560 -5.3560 -5.3560 -5.3432 -5.3432 -5.3432 -5.3432 -0.7720 -0.7720 -0.7720 -0.7720 -0.7504 -0.7504 -0.7504 -0.7504 -0.6884 -0.6884 -0.6884 -0.6884 -0.6762 -0.6762 -0.6762 -0.6762 3.4592 3.4592 3.4592 3.4592 3.4733 3.4733 3.4733 3.4733 3.8496 3.8496 3.8496 3.8496 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5828 -9.5828 -9.5828 -9.5828 -9.5710 -9.5710 -9.5710 -9.5710 -9.3779 -9.3779 -9.3779 -9.3779 -9.3658 -9.3658 -9.3658 -9.3658 -6.9430 -6.9430 -6.9430 -6.9430 -6.9428 -6.9428 -6.9428 -6.9428 -5.3500 -5.3500 -5.3500 -5.3500 -5.3492 -5.3492 -5.3492 -5.3492 -0.7603 -0.7603 -0.7603 -0.7603 -0.7595 -0.7595 -0.7595 -0.7595 -0.6838 -0.6838 -0.6838 -0.6838 -0.6832 -0.6832 -0.6832 -0.6832 3.4607 3.4607 3.4607 3.4607 3.4716 3.4716 3.4716 3.4716 3.8506 3.8506 3.8506 3.8506 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5828 -9.5828 -9.5828 -9.5828 -9.5710 -9.5710 -9.5710 -9.5710 -9.3779 -9.3779 -9.3779 -9.3779 -9.3658 -9.3658 -9.3658 -9.3658 -6.9430 -6.9430 -6.9430 -6.9430 -6.9428 -6.9428 -6.9428 -6.9428 -5.3500 -5.3500 -5.3500 -5.3500 -5.3492 -5.3492 -5.3492 -5.3492 -0.7603 -0.7603 -0.7603 -0.7603 -0.7595 -0.7595 -0.7595 -0.7595 -0.6838 -0.6838 -0.6838 -0.6838 -0.6832 -0.6832 -0.6832 -0.6832 3.4607 3.4607 3.4607 3.4607 3.4716 3.4716 3.4716 3.4716 3.8506 3.8506 3.8506 3.8506 k = 0.4872 0.4872-0.0000 ( 6872 PWs) bands (ev): -28.4438 -28.4438 -28.4429 -28.4429 -28.4429 -28.4429 -28.4421 -28.4421 -21.1363 -21.1363 -21.1359 -21.1359 -21.1359 -21.1359 -21.1355 -21.1355 -9.5858 -9.5858 -9.5796 -9.5796 -9.5739 -9.5739 -9.5677 -9.5677 -9.3810 -9.3810 -9.3751 -9.3751 -9.3689 -9.3689 -9.3629 -9.3629 -6.9570 -6.9570 -6.9426 -6.9426 -6.9425 -6.9425 -6.9294 -6.9294 -5.3588 -5.3588 -5.3499 -5.3499 -5.3497 -5.3497 -5.3401 -5.3401 -0.7790 -0.7790 -0.7654 -0.7654 -0.7584 -0.7584 -0.7409 -0.7409 -0.6882 -0.6882 -0.6856 -0.6856 -0.6789 -0.6789 -0.6778 -0.6778 3.4545 3.4545 3.4655 3.4655 3.4671 3.4671 3.4784 3.4784 3.8401 3.8401 3.8514 3.8514 k = 0.4744 0.4744-0.0000 ( 6882 PWs) bands (ev): -28.4447 -28.4447 -28.4429 -28.4429 -28.4429 -28.4429 -28.4413 -28.4413 -21.1367 -21.1367 -21.1360 -21.1360 -21.1360 -21.1360 -21.1351 -21.1351 -9.5887 -9.5887 -9.5768 -9.5768 -9.5759 -9.5759 -9.5641 -9.5641 -9.3844 -9.3844 -9.3728 -9.3728 -9.3718 -9.3718 -9.3602 -9.3602 -6.9718 -6.9718 -6.9417 -6.9417 -6.9415 -6.9415 -6.9167 -6.9167 -5.3674 -5.3674 -5.3505 -5.3505 -5.3500 -5.3500 -5.3303 -5.3303 -0.7982 -0.7982 -0.7738 -0.7738 -0.7615 -0.7615 -0.7223 -0.7223 -0.6917 -0.6917 -0.6844 -0.6844 -0.6728 -0.6728 -0.6708 -0.6708 3.4482 3.4482 3.4637 3.4637 3.4692 3.4692 3.4874 3.4874 3.8285 3.8285 3.8426 3.8426 k = 0.4615 0.4615-0.0000 ( 6884 PWs) bands (ev): -28.4456 -28.4456 -28.4428 -28.4428 -28.4428 -28.4428 -28.4406 -28.4406 -21.1370 -21.1370 -21.1360 -21.1360 -21.1360 -21.1360 -21.1347 -21.1347 -9.5914 -9.5914 -9.5789 -9.5789 -9.5726 -9.5726 -9.5603 -9.5603 -9.3880 -9.3880 -9.3758 -9.3758 -9.3698 -9.3698 -9.3577 -9.3577 -6.9873 -6.9873 -6.9402 -6.9402 -6.9399 -6.9399 -6.9045 -6.9045 -5.3757 -5.3757 -5.3514 -5.3514 -5.3505 -5.3505 -5.3200 -5.3200 -0.8174 -0.8174 -0.7843 -0.7843 -0.7687 -0.7687 -0.7046 -0.7046 -0.6939 -0.6939 -0.6804 -0.6804 -0.6656 -0.6656 -0.6630 -0.6630 3.4423 3.4423 3.4611 3.4611 3.4722 3.4722 3.4980 3.4980 3.8164 3.8164 3.8341 3.8341 k = 0.4487 0.4487-0.0000 ( 6870 PWs) bands (ev): -28.4465 -28.4465 -28.4427 -28.4427 -28.4427 -28.4427 -28.4399 -28.4399 -21.1374 -21.1374 -21.1360 -21.1360 -21.1360 -21.1360 -21.1342 -21.1342 -9.5940 -9.5940 -9.5808 -9.5808 -9.5687 -9.5687 -9.5562 -9.5562 -9.3919 -9.3919 -9.3794 -9.3794 -9.3675 -9.3675 -9.3554 -9.3554 -7.0033 -7.0033 -6.9380 -6.9380 -6.9376 -6.9376 -6.8931 -6.8931 -5.3835 -5.3835 -5.3525 -5.3525 -5.3514 -5.3514 -5.3095 -5.3095 -0.8366 -0.8366 -0.7963 -0.7963 -0.7789 -0.7789 -0.6975 -0.6975 -0.6856 -0.6856 -0.6744 -0.6744 -0.6577 -0.6577 -0.6542 -0.6542 3.4371 3.4371 3.4587 3.4587 3.4749 3.4749 3.5098 3.5098 3.8039 3.8039 3.8257 3.8257 k = 0.4359 0.4359-0.0000 ( 6872 PWs) bands (ev): -28.4475 -28.4475 -28.4425 -28.4425 -28.4425 -28.4425 -28.4392 -28.4392 -21.1377 -21.1377 -21.1361 -21.1361 -21.1361 -21.1361 -21.1337 -21.1337 -9.5965 -9.5965 -9.5823 -9.5823 -9.5647 -9.5647 -9.5519 -9.5519 -9.3961 -9.3961 -9.3831 -9.3831 -9.3655 -9.3655 -9.3532 -9.3532 -7.0201 -7.0201 -6.9353 -6.9353 -6.9348 -6.9348 -6.8823 -6.8823 -5.3909 -5.3909 -5.3540 -5.3540 -5.3525 -5.3525 -5.2986 -5.2986 -0.8558 -0.8558 -0.8095 -0.8095 -0.7914 -0.7914 -0.6981 -0.6981 -0.6710 -0.6710 -0.6662 -0.6662 -0.6496 -0.6496 -0.6439 -0.6439 3.4328 3.4328 3.4567 3.4567 3.4775 3.4775 3.5224 3.5224 3.7912 3.7912 3.8172 3.8172 k = 0.4231 0.4231-0.0000 ( 6876 PWs) bands (ev): -28.4485 -28.4485 -28.4424 -28.4424 -28.4424 -28.4424 -28.4386 -28.4386 -21.1380 -21.1380 -21.1362 -21.1362 -21.1362 -21.1362 -21.1332 -21.1332 -9.5989 -9.5989 -9.5836 -9.5836 -9.5604 -9.5604 -9.5474 -9.5474 -9.4006 -9.4006 -9.3869 -9.3869 -9.3636 -9.3636 -9.3512 -9.3512 -7.0374 -7.0374 -6.9321 -6.9321 -6.9314 -6.9314 -6.8722 -6.8722 -5.3978 -5.3978 -5.3557 -5.3557 -5.3538 -5.3538 -5.2875 -5.2875 -0.8750 -0.8750 -0.8237 -0.8237 -0.8054 -0.8054 -0.6984 -0.6984 -0.6618 -0.6618 -0.6539 -0.6539 -0.6416 -0.6416 -0.6311 -0.6311 3.4294 3.4294 3.4549 3.4549 3.4798 3.4798 3.5358 3.5358 3.7784 3.7784 3.8086 3.8086 k = 0.4103 0.4103-0.0000 ( 6866 PWs) bands (ev): -28.4495 -28.4495 -28.4421 -28.4421 -28.4421 -28.4421 -28.4380 -28.4380 -21.1383 -21.1383 -21.1363 -21.1363 -21.1363 -21.1363 -21.1328 -21.1328 -9.6011 -9.6011 -9.5846 -9.5846 -9.5559 -9.5559 -9.5428 -9.5428 -9.4054 -9.4054 -9.3906 -9.3906 -9.3619 -9.3619 -9.3493 -9.3493 -7.0553 -7.0553 -6.9283 -6.9283 -6.9275 -6.9275 -6.8627 -6.8627 -5.4042 -5.4042 -5.3576 -5.3576 -5.3553 -5.3553 -5.2760 -5.2760 -0.8941 -0.8941 -0.8387 -0.8387 -0.8206 -0.8206 -0.6979 -0.6979 -0.6542 -0.6542 -0.6419 -0.6419 -0.6335 -0.6335 -0.6160 -0.6160 3.4268 3.4268 3.4533 3.4533 3.4820 3.4820 3.5499 3.5499 3.7654 3.7654 3.8001 3.8001 k = 0.3974 0.3974-0.0000 ( 6870 PWs) bands (ev): -28.4505 -28.4505 -28.4419 -28.4419 -28.4419 -28.4419 -28.4374 -28.4374 -21.1385 -21.1385 -21.1364 -21.1364 -21.1364 -21.1364 -21.1322 -21.1322 -9.6031 -9.6031 -9.5854 -9.5854 -9.5512 -9.5512 -9.5381 -9.5381 -9.4104 -9.4104 -9.3943 -9.3943 -9.3604 -9.3604 -9.3474 -9.3474 -7.0738 -7.0738 -6.9240 -6.9240 -6.9231 -6.9231 -6.8539 -6.8539 -5.4100 -5.4100 -5.3598 -5.3598 -5.3570 -5.3570 -5.2644 -5.2644 -0.9130 -0.9130 -0.8545 -0.8545 -0.8369 -0.8369 -0.6967 -0.6967 -0.6469 -0.6469 -0.6320 -0.6320 -0.6244 -0.6244 -0.5994 -0.5994 3.4250 3.4250 3.4520 3.4520 3.4841 3.4841 3.5644 3.5644 3.7524 3.7524 3.7917 3.7917 k = 0.3846 0.3846-0.0000 ( 6872 PWs) bands (ev): -28.4516 -28.4516 -28.4417 -28.4417 -28.4416 -28.4416 -28.4369 -28.4369 -21.1388 -21.1388 -21.1365 -21.1365 -21.1365 -21.1365 -21.1317 -21.1317 -9.6049 -9.6049 -9.5860 -9.5860 -9.5465 -9.5465 -9.5332 -9.5332 -9.4156 -9.4156 -9.3980 -9.3980 -9.3591 -9.3591 -9.3456 -9.3456 -7.0928 -7.0928 -6.9194 -6.9194 -6.9184 -6.9184 -6.8458 -6.8458 -5.4154 -5.4154 -5.3621 -5.3621 -5.3589 -5.3589 -5.2525 -5.2525 -0.9319 -0.9319 -0.8709 -0.8709 -0.8540 -0.8540 -0.6949 -0.6949 -0.6397 -0.6397 -0.6242 -0.6242 -0.6137 -0.6137 -0.5823 -0.5823 3.4240 3.4240 3.4510 3.4510 3.4860 3.4860 3.5790 3.5790 3.7395 3.7395 3.7838 3.7838 k = 0.3718 0.3718-0.0000 ( 6868 PWs) bands (ev): -28.4526 -28.4526 -28.4414 -28.4414 -28.4414 -28.4414 -28.4364 -28.4364 -21.1390 -21.1390 -21.1366 -21.1366 -21.1366 -21.1366 -21.1312 -21.1312 -9.6066 -9.6066 -9.5864 -9.5864 -9.5416 -9.5416 -9.5283 -9.5283 -9.4209 -9.4209 -9.4016 -9.4016 -9.3580 -9.3580 -9.3438 -9.3438 -7.1123 -7.1123 -6.9144 -6.9144 -6.9133 -6.9133 -6.8383 -6.8383 -5.4202 -5.4202 -5.3646 -5.3646 -5.3609 -5.3609 -5.2403 -5.2403 -0.9507 -0.9507 -0.8880 -0.8880 -0.8719 -0.8719 -0.6924 -0.6924 -0.6329 -0.6329 -0.6177 -0.6177 -0.6019 -0.6019 -0.5650 -0.5650 3.4237 3.4237 3.4502 3.4502 3.4878 3.4878 3.5934 3.5934 3.7265 3.7265 3.7766 3.7766 k = 0.3590 0.3590-0.0000 ( 6860 PWs) bands (ev): -28.4537 -28.4537 -28.4411 -28.4411 -28.4411 -28.4411 -28.4360 -28.4360 -21.1392 -21.1392 -21.1368 -21.1368 -21.1367 -21.1367 -21.1307 -21.1307 -9.6081 -9.6081 -9.5866 -9.5866 -9.5368 -9.5368 -9.5233 -9.5233 -9.4261 -9.4261 -9.4051 -9.4051 -9.3570 -9.3570 -9.3420 -9.3420 -7.1323 -7.1323 -6.9091 -6.9091 -6.9078 -6.9078 -6.8314 -6.8314 -5.4244 -5.4244 -5.3672 -5.3672 -5.3630 -5.3630 -5.2280 -5.2280 -0.9692 -0.9692 -0.9057 -0.9057 -0.8903 -0.8903 -0.6893 -0.6893 -0.6263 -0.6263 -0.6119 -0.6119 -0.5894 -0.5894 -0.5477 -0.5477 3.4241 3.4241 3.4497 3.4497 3.4894 3.4894 3.6070 3.6070 3.7137 3.7137 3.7708 3.7708 k = 0.3462 0.3462-0.0000 ( 6862 PWs) bands (ev): -28.4548 -28.4548 -28.4407 -28.4407 -28.4407 -28.4407 -28.4356 -28.4356 -21.1394 -21.1394 -21.1369 -21.1369 -21.1369 -21.1369 -21.1301 -21.1301 -9.6094 -9.6094 -9.5868 -9.5868 -9.5322 -9.5322 -9.5184 -9.5184 -9.4310 -9.4310 -9.4085 -9.4085 -9.3560 -9.3560 -9.3402 -9.3402 -7.1527 -7.1527 -6.9036 -6.9036 -6.9022 -6.9022 -6.8252 -6.8252 -5.4281 -5.4281 -5.3699 -5.3699 -5.3651 -5.3651 -5.2156 -5.2156 -0.9877 -0.9877 -0.9238 -0.9238 -0.9093 -0.9093 -0.6857 -0.6857 -0.6201 -0.6201 -0.6065 -0.6065 -0.5765 -0.5765 -0.5307 -0.5307 3.4251 3.4251 3.4496 3.4496 3.4908 3.4908 3.6190 3.6190 3.7010 3.7010 3.7671 3.7671 k = 0.3333 0.3333-0.0000 ( 6851 PWs) bands (ev): -28.4559 -28.4559 -28.4404 -28.4404 -28.4404 -28.4404 -28.4352 -28.4352 -21.1395 -21.1395 -21.1371 -21.1371 -21.1371 -21.1371 -21.1296 -21.1296 -9.6105 -9.6105 -9.5870 -9.5870 -9.5279 -9.5279 -9.5136 -9.5136 -9.4354 -9.4354 -9.4118 -9.4118 -9.3551 -9.3551 -9.3385 -9.3385 -7.1735 -7.1735 -6.8978 -6.8978 -6.8963 -6.8963 -6.8196 -6.8196 -5.4312 -5.4312 -5.3726 -5.3726 -5.3673 -5.3673 -5.2030 -5.2030 -1.0059 -1.0059 -0.9424 -0.9424 -0.9288 -0.9288 -0.6815 -0.6815 -0.6142 -0.6142 -0.6015 -0.6015 -0.5631 -0.5631 -0.5140 -0.5140 3.4266 3.4266 3.4497 3.4497 3.4921 3.4921 3.6284 3.6284 3.6885 3.6885 3.7666 3.7666 k = 0.3205 0.3205-0.0000 ( 6845 PWs) bands (ev): -28.4570 -28.4570 -28.4400 -28.4400 -28.4400 -28.4400 -28.4348 -28.4348 -21.1397 -21.1397 -21.1372 -21.1372 -21.1372 -21.1372 -21.1291 -21.1291 -9.6115 -9.6115 -9.5871 -9.5871 -9.5242 -9.5242 -9.5089 -9.5089 -9.4390 -9.4390 -9.4150 -9.4150 -9.3542 -9.3542 -9.3367 -9.3367 -7.1946 -7.1946 -6.8920 -6.8920 -6.8904 -6.8904 -6.8145 -6.8145 -5.4337 -5.4337 -5.3754 -5.3754 -5.3696 -5.3696 -5.1904 -5.1904 -1.0238 -1.0238 -0.9612 -0.9612 -0.9485 -0.9485 -0.6769 -0.6769 -0.6086 -0.6086 -0.5969 -0.5969 -0.5493 -0.5493 -0.4976 -0.4976 3.4287 3.4287 3.4502 3.4502 3.4932 3.4932 3.6343 3.6343 3.6762 3.6762 3.7701 3.7701 k = 0.3077 0.3077-0.0000 ( 6849 PWs) bands (ev): -28.4580 -28.4580 -28.4396 -28.4396 -28.4396 -28.4396 -28.4345 -28.4345 -21.1398 -21.1398 -21.1374 -21.1374 -21.1374 -21.1374 -21.1285 -21.1285 -9.6122 -9.6122 -9.5872 -9.5872 -9.5215 -9.5215 -9.5045 -9.5045 -9.4413 -9.4413 -9.4180 -9.4180 -9.3533 -9.3533 -9.3350 -9.3350 -7.2160 -7.2160 -6.8861 -6.8861 -6.8844 -6.8844 -6.8101 -6.8101 -5.4357 -5.4357 -5.3781 -5.3781 -5.3719 -5.3719 -5.1776 -5.1776 -1.0416 -1.0416 -0.9804 -0.9804 -0.9686 -0.9686 -0.6718 -0.6718 -0.6034 -0.6034 -0.5927 -0.5927 -0.5352 -0.5352 -0.4817 -0.4817 3.4311 3.4311 3.4510 3.4510 3.4942 3.4942 3.6361 3.6361 3.6643 3.6643 3.7783 3.7783 k = 0.2949 0.2949-0.0000 ( 6855 PWs) bands (ev): -28.4591 -28.4591 -28.4392 -28.4392 -28.4392 -28.4392 -28.4343 -28.4343 -21.1399 -21.1399 -21.1376 -21.1376 -21.1376 -21.1376 -21.1280 -21.1280 -9.6128 -9.6128 -9.5874 -9.5874 -9.5201 -9.5201 -9.5003 -9.5003 -9.4422 -9.4422 -9.4207 -9.4207 -9.3524 -9.3524 -9.3334 -9.3334 -7.2375 -7.2375 -6.8801 -6.8801 -6.8784 -6.8784 -6.8062 -6.8062 -5.4371 -5.4371 -5.3808 -5.3808 -5.3741 -5.3741 -5.1649 -5.1649 -1.0590 -1.0590 -0.9998 -0.9998 -0.9887 -0.9887 -0.6664 -0.6664 -0.5985 -0.5985 -0.5887 -0.5887 -0.5208 -0.5208 -0.4662 -0.4662 3.4338 3.4338 3.4522 3.4522 3.4951 3.4951 3.6342 3.6342 3.6526 3.6526 3.7907 3.7907 k = 0.2821 0.2821-0.0000 ( 6861 PWs) bands (ev): -28.4602 -28.4602 -28.4388 -28.4388 -28.4388 -28.4388 -28.4340 -28.4340 -21.1400 -21.1400 -21.1378 -21.1378 -21.1377 -21.1377 -21.1275 -21.1275 -9.6133 -9.6133 -9.5876 -9.5876 -9.5204 -9.5204 -9.4963 -9.4963 -9.4414 -9.4414 -9.4230 -9.4230 -9.3513 -9.3513 -9.3317 -9.3317 -7.2593 -7.2593 -6.8742 -6.8742 -6.8724 -6.8724 -6.8029 -6.8029 -5.4380 -5.4380 -5.3834 -5.3834 -5.3763 -5.3763 -5.1521 -5.1521 -1.0762 -1.0762 -1.0192 -1.0192 -1.0090 -1.0090 -0.6607 -0.6607 -0.5941 -0.5941 -0.5851 -0.5851 -0.5062 -0.5062 -0.4513 -0.4513 3.4369 3.4369 3.4536 3.4536 3.4959 3.4959 3.6295 3.6295 3.6414 3.6414 3.8065 3.8065 k = 0.2692 0.2692-0.0000 ( 6861 PWs) bands (ev): -28.4612 -28.4612 -28.4384 -28.4384 -28.4384 -28.4384 -28.4338 -28.4338 -21.1401 -21.1401 -21.1379 -21.1379 -21.1379 -21.1379 -21.1270 -21.1270 -9.6136 -9.6136 -9.5879 -9.5879 -9.5223 -9.5223 -9.4923 -9.4923 -9.4394 -9.4394 -9.4245 -9.4245 -9.3501 -9.3501 -9.3301 -9.3301 -7.2810 -7.2810 -6.8684 -6.8684 -6.8665 -6.8665 -6.8002 -6.8002 -5.4383 -5.4383 -5.3858 -5.3858 -5.3785 -5.3785 -5.1394 -5.1394 -1.0929 -1.0929 -1.0387 -1.0387 -1.0292 -1.0292 -0.6548 -0.6548 -0.5900 -0.5900 -0.5817 -0.5817 -0.4915 -0.4915 -0.4369 -0.4369 3.4401 3.4401 3.4554 3.4554 3.4966 3.4966 3.6227 3.6227 3.6305 3.6305 3.8249 3.8249 k = 0.2564 0.2564-0.0000 ( 6861 PWs) bands (ev): -28.4622 -28.4622 -28.4380 -28.4380 -28.4380 -28.4380 -28.4336 -28.4336 -21.1402 -21.1402 -21.1381 -21.1381 -21.1381 -21.1381 -21.1264 -21.1264 -9.6138 -9.6138 -9.5883 -9.5883 -9.5256 -9.5256 -9.4884 -9.4884 -9.4373 -9.4373 -9.4244 -9.4244 -9.3488 -9.3488 -9.3286 -9.3286 -7.3028 -7.3028 -6.8627 -6.8627 -6.8608 -6.8608 -6.7979 -6.7979 -5.4382 -5.4382 -5.3881 -5.3881 -5.3806 -5.3806 -5.1268 -5.1268 -1.1093 -1.1093 -1.0581 -1.0581 -1.0492 -1.0492 -0.6486 -0.6486 -0.5863 -0.5863 -0.5785 -0.5785 -0.4768 -0.4768 -0.4230 -0.4230 3.4435 3.4435 3.4575 3.4575 3.4973 3.4973 3.6147 3.6147 3.6201 3.6201 3.8451 3.8451 k = 0.2436 0.2436-0.0000 ( 6873 PWs) bands (ev): -28.4633 -28.4633 -28.4376 -28.4376 -28.4376 -28.4376 -28.4335 -28.4335 -21.1403 -21.1403 -21.1383 -21.1383 -21.1383 -21.1383 -21.1259 -21.1259 -9.6138 -9.6138 -9.5888 -9.5888 -9.5299 -9.5299 -9.4845 -9.4845 -9.4366 -9.4366 -9.4216 -9.4216 -9.3473 -9.3473 -9.3271 -9.3271 -7.3244 -7.3244 -6.8571 -6.8571 -6.8552 -6.8552 -6.7961 -6.7961 -5.4376 -5.4376 -5.3903 -5.3903 -5.3827 -5.3827 -5.1144 -5.1144 -1.1253 -1.1253 -1.0774 -1.0774 -1.0691 -1.0691 -0.6422 -0.6422 -0.5829 -0.5829 -0.5756 -0.5756 -0.4621 -0.4621 -0.4098 -0.4098 3.4469 3.4469 3.4598 3.4598 3.4980 3.4980 3.6059 3.6059 3.6101 3.6101 3.8666 3.8666 k = 0.2308 0.2308-0.0000 ( 6863 PWs) bands (ev): -28.4642 -28.4642 -28.4372 -28.4372 -28.4372 -28.4372 -28.4333 -28.4333 -21.1403 -21.1403 -21.1385 -21.1385 -21.1385 -21.1385 -21.1254 -21.1254 -9.6137 -9.6137 -9.5894 -9.5894 -9.5350 -9.5350 -9.4809 -9.4809 -9.4373 -9.4373 -9.4163 -9.4163 -9.3457 -9.3457 -9.3256 -9.3256 -7.3459 -7.3459 -6.8518 -6.8518 -6.8498 -6.8498 -6.7948 -6.7948 -5.4365 -5.4365 -5.3922 -5.3922 -5.3846 -5.3846 -5.1021 -5.1021 -1.1408 -1.1408 -1.0963 -1.0963 -1.0886 -1.0886 -0.6358 -0.6358 -0.5799 -0.5799 -0.5730 -0.5730 -0.4475 -0.4475 -0.3973 -0.3973 3.4503 3.4503 3.4625 3.4625 3.4986 3.4986 3.5968 3.5968 3.6005 3.6005 3.8890 3.8890 k = 0.2179 0.2179-0.0000 ( 6871 PWs) bands (ev): -28.4652 -28.4652 -28.4368 -28.4368 -28.4368 -28.4368 -28.4332 -28.4332 -21.1404 -21.1404 -21.1387 -21.1387 -21.1387 -21.1387 -21.1250 -21.1250 -9.6136 -9.6136 -9.5901 -9.5901 -9.5405 -9.5405 -9.4773 -9.4773 -9.4385 -9.4385 -9.4097 -9.4097 -9.3439 -9.3439 -9.3242 -9.3242 -7.3671 -7.3671 -6.8466 -6.8466 -6.8447 -6.8447 -6.7939 -6.7939 -5.4351 -5.4351 -5.3940 -5.3940 -5.3865 -5.3865 -5.0900 -5.0900 -1.1558 -1.1558 -1.1149 -1.1149 -1.1077 -1.1077 -0.6294 -0.6294 -0.5773 -0.5773 -0.5706 -0.5706 -0.4331 -0.4331 -0.3854 -0.3854 3.4537 3.4537 3.4653 3.4653 3.4993 3.4993 3.5876 3.5876 3.5913 3.5913 3.9119 3.9119 k = 0.2051 0.2051-0.0000 ( 6861 PWs) bands (ev): -28.4661 -28.4661 -28.4364 -28.4364 -28.4364 -28.4364 -28.4331 -28.4331 -21.1404 -21.1404 -21.1389 -21.1389 -21.1389 -21.1389 -21.1245 -21.1245 -9.6134 -9.6134 -9.5910 -9.5910 -9.5462 -9.5462 -9.4740 -9.4740 -9.4398 -9.4398 -9.4024 -9.4024 -9.3420 -9.3420 -9.3228 -9.3228 -7.3878 -7.3878 -6.8417 -6.8417 -6.8399 -6.8399 -6.7934 -6.7934 -5.4333 -5.4333 -5.3955 -5.3955 -5.3882 -5.3882 -5.0783 -5.0783 -1.1703 -1.1703 -1.1331 -1.1331 -1.1263 -1.1263 -0.6230 -0.6230 -0.5749 -0.5749 -0.5684 -0.5684 -0.4189 -0.4189 -0.3741 -0.3741 3.4571 3.4571 3.4683 3.4683 3.4999 3.4999 3.5786 3.5786 3.5825 3.5825 3.9353 3.9353 k = 0.1923 0.1923-0.0000 ( 6881 PWs) bands (ev): -28.4670 -28.4670 -28.4360 -28.4360 -28.4360 -28.4360 -28.4330 -28.4330 -21.1405 -21.1405 -21.1391 -21.1391 -21.1390 -21.1390 -21.1241 -21.1241 -9.6131 -9.6131 -9.5919 -9.5919 -9.5520 -9.5520 -9.4709 -9.4709 -9.4411 -9.4411 -9.3947 -9.3947 -9.3399 -9.3399 -9.3215 -9.3215 -7.4081 -7.4081 -6.8371 -6.8371 -6.8354 -6.8354 -6.7932 -6.7932 -5.4312 -5.4312 -5.3969 -5.3969 -5.3899 -5.3899 -5.0669 -5.0669 -1.1842 -1.1842 -1.1507 -1.1507 -1.1442 -1.1442 -0.6167 -0.6167 -0.5729 -0.5729 -0.5665 -0.5665 -0.4051 -0.4051 -0.3636 -0.3636 3.4603 3.4603 3.4714 3.4714 3.5006 3.5006 3.5697 3.5697 3.5741 3.5741 3.9587 3.9587 k = 0.1795 0.1795-0.0000 ( 6883 PWs) bands (ev): -28.4678 -28.4678 -28.4356 -28.4356 -28.4356 -28.4356 -28.4329 -28.4329 -21.1405 -21.1405 -21.1392 -21.1392 -21.1392 -21.1392 -21.1237 -21.1237 -9.6129 -9.6129 -9.5928 -9.5928 -9.5577 -9.5577 -9.4680 -9.4680 -9.4424 -9.4424 -9.3869 -9.3869 -9.3377 -9.3377 -9.3202 -9.3202 -7.4278 -7.4278 -6.8327 -6.8327 -6.8311 -6.8311 -6.7934 -6.7934 -5.4288 -5.4288 -5.3980 -5.3980 -5.3914 -5.3914 -5.0558 -5.0558 -1.1975 -1.1975 -1.1676 -1.1676 -1.1615 -1.1615 -0.6105 -0.6105 -0.5711 -0.5711 -0.5648 -0.5648 -0.3917 -0.3917 -0.3537 -0.3537 3.4635 3.4635 3.4746 3.4746 3.5013 3.5013 3.5612 3.5612 3.5662 3.5662 3.9821 3.9821 k = 0.1667 0.1667-0.0000 ( 6893 PWs) bands (ev): -28.4686 -28.4686 -28.4353 -28.4353 -28.4353 -28.4353 -28.4329 -28.4329 -21.1405 -21.1405 -21.1394 -21.1394 -21.1394 -21.1394 -21.1233 -21.1233 -9.6126 -9.6126 -9.5938 -9.5938 -9.5633 -9.5633 -9.4653 -9.4653 -9.4435 -9.4435 -9.3790 -9.3790 -9.3354 -9.3354 -9.3189 -9.3189 -7.4467 -7.4467 -6.8287 -6.8287 -6.8272 -6.8272 -6.7938 -6.7938 -5.4263 -5.4263 -5.3990 -5.3990 -5.3929 -5.3929 -5.0452 -5.0452 -1.2101 -1.2101 -1.1839 -1.1839 -1.1780 -1.1780 -0.6046 -0.6046 -0.5695 -0.5695 -0.5634 -0.5634 -0.3788 -0.3788 -0.3445 -0.3445 3.4666 3.4666 3.4776 3.4776 3.5021 3.5021 3.5531 3.5531 3.5589 3.5589 4.0053 4.0053 k = 0.1538 0.1538-0.0000 ( 6887 PWs) bands (ev): -28.4694 -28.4694 -28.4349 -28.4349 -28.4349 -28.4349 -28.4328 -28.4328 -21.1406 -21.1406 -21.1396 -21.1396 -21.1395 -21.1395 -21.1229 -21.1229 -9.6123 -9.6123 -9.5948 -9.5948 -9.5686 -9.5686 -9.4629 -9.4629 -9.4445 -9.4445 -9.3714 -9.3714 -9.3331 -9.3331 -9.3177 -9.3177 -7.4649 -7.4649 -6.8249 -6.8249 -6.8235 -6.8235 -6.7944 -6.7944 -5.4237 -5.4237 -5.3998 -5.3998 -5.3942 -5.3942 -5.0352 -5.0352 -1.2220 -1.2220 -1.1992 -1.1992 -1.1937 -1.1937 -0.5988 -0.5988 -0.5681 -0.5681 -0.5621 -0.5621 -0.3665 -0.3665 -0.3361 -0.3361 3.4696 3.4696 3.4806 3.4806 3.5029 3.5029 3.5454 3.5454 3.5521 3.5521 4.0280 4.0280 k = 0.1410 0.1410-0.0000 ( 6897 PWs) bands (ev): -28.4701 -28.4701 -28.4346 -28.4346 -28.4346 -28.4346 -28.4328 -28.4328 -21.1406 -21.1406 -21.1397 -21.1397 -21.1397 -21.1397 -21.1225 -21.1225 -9.6121 -9.6121 -9.5958 -9.5958 -9.5737 -9.5737 -9.4606 -9.4606 -9.4453 -9.4453 -9.3640 -9.3640 -9.3307 -9.3307 -9.3166 -9.3166 -7.4821 -7.4821 -6.8215 -6.8215 -6.8202 -6.8202 -6.7953 -6.7953 -5.4210 -5.4210 -5.4004 -5.4004 -5.3954 -5.3954 -5.0256 -5.0256 -1.2332 -1.2332 -1.2136 -1.2136 -1.2084 -1.2084 -0.5934 -0.5934 -0.5669 -0.5669 -0.5610 -0.5610 -0.3549 -0.3549 -0.3283 -0.3283 3.4724 3.4724 3.4834 3.4834 3.5037 3.5037 3.5382 3.5382 3.5459 3.5459 4.0500 4.0500 k = 0.1282 0.1282-0.0000 ( 6889 PWs) bands (ev): -28.4707 -28.4707 -28.4343 -28.4343 -28.4343 -28.4343 -28.4328 -28.4328 -21.1406 -21.1406 -21.1399 -21.1399 -21.1398 -21.1398 -21.1222 -21.1222 -9.6120 -9.6120 -9.5967 -9.5967 -9.5783 -9.5783 -9.4586 -9.4586 -9.4461 -9.4461 -9.3569 -9.3569 -9.3282 -9.3282 -9.3155 -9.3155 -7.4983 -7.4983 -6.8183 -6.8183 -6.8172 -6.8172 -6.7962 -6.7962 -5.4182 -5.4182 -5.4009 -5.4009 -5.3965 -5.3965 -5.0167 -5.0167 -1.2437 -1.2437 -1.2270 -1.2270 -1.2220 -1.2220 -0.5883 -0.5883 -0.5658 -0.5658 -0.5601 -0.5601 -0.3440 -0.3440 -0.3213 -0.3213 3.4750 3.4750 3.4860 3.4860 3.5044 3.5044 3.5318 3.5318 3.5403 3.5403 4.0711 4.0711 k = 0.1154 0.1154-0.0000 ( 6883 PWs) bands (ev): -28.4713 -28.4713 -28.4340 -28.4340 -28.4340 -28.4340 -28.4327 -28.4327 -21.1406 -21.1406 -21.1400 -21.1400 -21.1400 -21.1400 -21.1219 -21.1219 -9.6120 -9.6120 -9.5976 -9.5976 -9.5826 -9.5826 -9.4568 -9.4568 -9.4467 -9.4467 -9.3505 -9.3505 -9.3258 -9.3258 -9.3144 -9.3144 -7.5133 -7.5133 -6.8155 -6.8155 -6.8146 -6.8146 -6.7972 -6.7972 -5.4155 -5.4155 -5.4012 -5.4012 -5.3975 -5.3975 -5.0085 -5.0085 -1.2533 -1.2533 -1.2393 -1.2393 -1.2347 -1.2347 -0.5837 -0.5837 -0.5648 -0.5648 -0.5594 -0.5594 -0.3339 -0.3339 -0.3149 -0.3149 3.4774 3.4774 3.4883 3.4883 3.5051 3.5051 3.5260 3.5260 3.5352 3.5352 4.0912 4.0912 k = 0.1026 0.1026-0.0000 ( 6883 PWs) bands (ev): -28.4719 -28.4719 -28.4337 -28.4337 -28.4337 -28.4337 -28.4327 -28.4327 -21.1406 -21.1406 -21.1401 -21.1401 -21.1401 -21.1401 -21.1216 -21.1216 -9.6121 -9.6121 -9.5983 -9.5983 -9.5865 -9.5865 -9.4552 -9.4552 -9.4473 -9.4473 -9.3446 -9.3446 -9.3233 -9.3233 -9.3133 -9.3133 -7.5271 -7.5271 -6.8130 -6.8130 -6.8122 -6.8122 -6.7983 -6.7983 -5.4130 -5.4130 -5.4015 -5.4015 -5.3984 -5.3984 -5.0009 -5.0009 -1.2622 -1.2622 -1.2504 -1.2504 -1.2461 -1.2461 -0.5795 -0.5795 -0.5639 -0.5639 -0.5588 -0.5588 -0.3246 -0.3246 -0.3093 -0.3093 3.4795 3.4795 3.4904 3.4904 3.5054 3.5054 3.5213 3.5213 3.5307 3.5307 4.1098 4.1098 k = 0.0897 0.0897-0.0000 ( 6893 PWs) bands (ev): -28.4724 -28.4724 -28.4335 -28.4335 -28.4335 -28.4335 -28.4327 -28.4327 -21.1406 -21.1406 -21.1402 -21.1402 -21.1402 -21.1402 -21.1214 -21.1214 -9.6124 -9.6124 -9.5989 -9.5989 -9.5898 -9.5898 -9.4538 -9.4538 -9.4478 -9.4478 -9.3395 -9.3395 -9.3208 -9.3208 -9.3123 -9.3123 -7.5395 -7.5395 -6.8107 -6.8107 -6.8101 -6.8101 -6.7993 -6.7993 -5.4106 -5.4106 -5.4016 -5.4016 -5.3991 -5.3991 -4.9942 -4.9942 -1.2702 -1.2702 -1.2602 -1.2602 -1.2564 -1.2564 -0.5759 -0.5759 -0.5630 -0.5630 -0.5583 -0.5583 -0.3163 -0.3163 -0.3043 -0.3043 3.4812 3.4812 3.4921 3.4921 3.5051 3.5051 3.5177 3.5177 3.5269 3.5269 4.1268 4.1268 k = 0.0769 0.0769-0.0000 ( 6897 PWs) bands (ev): -28.4728 -28.4728 -28.4333 -28.4333 -28.4333 -28.4333 -28.4327 -28.4327 -21.1406 -21.1406 -21.1403 -21.1403 -21.1403 -21.1403 -21.1212 -21.1212 -9.6128 -9.6128 -9.5993 -9.5993 -9.5927 -9.5927 -9.4526 -9.4526 -9.4482 -9.4482 -9.3353 -9.3353 -9.3182 -9.3182 -9.3114 -9.3114 -7.5505 -7.5505 -6.8088 -6.8088 -6.8083 -6.8083 -6.8003 -6.8003 -5.4084 -5.4084 -5.4017 -5.4017 -5.3998 -5.3998 -4.9882 -4.9882 -1.2775 -1.2775 -1.2686 -1.2686 -1.2654 -1.2654 -0.5729 -0.5729 -0.5620 -0.5620 -0.5579 -0.5579 -0.3090 -0.3090 -0.3000 -0.3000 3.4826 3.4826 3.4936 3.4936 3.5041 3.5041 3.5157 3.5157 3.5236 3.5236 4.1419 4.1419 k = 0.0641 0.0641-0.0000 ( 6897 PWs) bands (ev): -28.4732 -28.4732 -28.4331 -28.4331 -28.4331 -28.4331 -28.4327 -28.4327 -21.1406 -21.1406 -21.1404 -21.1404 -21.1404 -21.1404 -21.1210 -21.1210 -9.6133 -9.6133 -9.5996 -9.5996 -9.5951 -9.5951 -9.4516 -9.4516 -9.4485 -9.4485 -9.3320 -9.3320 -9.3157 -9.3157 -9.3106 -9.3106 -7.5600 -7.5600 -6.8072 -6.8072 -6.8068 -6.8068 -6.8012 -6.8012 -5.4064 -5.4064 -5.4018 -5.4018 -5.4003 -5.4003 -4.9831 -4.9831 -1.2839 -1.2839 -1.2756 -1.2756 -1.2731 -1.2731 -0.5706 -0.5706 -0.5609 -0.5609 -0.5576 -0.5576 -0.3028 -0.3028 -0.2964 -0.2964 3.4836 3.4836 3.4948 3.4948 3.5024 3.5024 3.5150 3.5150 3.5210 3.5210 4.1546 4.1546 k = 0.0513 0.0513-0.0000 ( 6885 PWs) bands (ev): -28.4734 -28.4734 -28.4330 -28.4330 -28.4330 -28.4330 -28.4327 -28.4327 -21.1406 -21.1406 -21.1405 -21.1405 -21.1404 -21.1404 -21.1208 -21.1208 -9.6139 -9.6139 -9.5999 -9.5999 -9.5969 -9.5969 -9.4507 -9.4507 -9.4488 -9.4488 -9.3295 -9.3295 -9.3133 -9.3133 -9.3098 -9.3098 -7.5678 -7.5678 -6.8059 -6.8059 -6.8056 -6.8056 -6.8020 -6.8020 -5.4048 -5.4048 -5.4018 -5.4018 -5.4007 -5.4007 -4.9788 -4.9788 -1.2893 -1.2893 -1.2812 -1.2812 -1.2794 -1.2794 -0.5690 -0.5690 -0.5598 -0.5598 -0.5574 -0.5574 -0.2976 -0.2976 -0.2934 -0.2934 3.4842 3.4842 3.4958 3.4958 3.5007 3.5007 3.5149 3.5149 3.5189 3.5189 4.1646 4.1649 k = 0.0385 0.0385-0.0000 ( 6897 PWs) bands (ev): -28.4737 -28.4737 -28.4329 -28.4329 -28.4329 -28.4329 -28.4327 -28.4327 -21.1406 -21.1406 -21.1405 -21.1405 -21.1405 -21.1405 -21.1207 -21.1207 -9.6144 -9.6144 -9.6000 -9.6000 -9.5984 -9.5984 -9.4501 -9.4501 -9.4490 -9.4490 -9.3277 -9.3277 -9.3113 -9.3113 -9.3092 -9.3092 -7.5740 -7.5740 -6.8049 -6.8049 -6.8047 -6.8047 -6.8027 -6.8027 -5.4035 -5.4035 -5.4019 -5.4019 -5.4010 -5.4010 -4.9755 -4.9755 -1.2936 -1.2936 -1.2855 -1.2855 -1.2844 -1.2844 -0.5679 -0.5679 -0.5587 -0.5587 -0.5572 -0.5572 -0.2935 -0.2935 -0.2911 -0.2911 3.4844 3.4844 3.4965 3.4965 3.4992 3.4992 3.5151 3.5151 3.5174 3.5174 4.1718 4.1719 k = 0.0256 0.0256-0.0000 ( 6897 PWs) bands (ev): -28.4738 -28.4738 -28.4328 -28.4328 -28.4328 -28.4328 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6148 -9.6148 -9.6001 -9.6001 -9.5993 -9.5993 -9.4496 -9.4496 -9.4492 -9.4492 -9.3265 -9.3265 -9.3097 -9.3097 -9.3087 -9.3087 -7.5784 -7.5784 -6.8042 -6.8042 -6.8040 -6.8040 -6.8031 -6.8031 -5.4026 -5.4026 -5.4019 -5.4019 -5.4011 -5.4011 -4.9731 -4.9731 -1.2968 -1.2968 -1.2885 -1.2885 -1.2880 -1.2880 -0.5673 -0.5673 -0.5578 -0.5578 -0.5571 -0.5571 -0.2906 -0.2906 -0.2895 -0.2895 3.4844 3.4844 3.4970 3.4970 3.4982 3.4982 3.5154 3.5154 3.5164 3.5164 4.1763 4.1763 k = 0.0128 0.0128-0.0000 ( 6901 PWs) bands (ev): -28.4739 -28.4739 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6151 -9.6151 -9.6001 -9.6001 -9.5999 -9.5999 -9.4494 -9.4494 -9.4492 -9.4492 -9.3259 -9.3259 -9.3087 -9.3087 -9.3085 -9.3085 -7.5811 -7.5811 -6.8038 -6.8038 -6.8036 -6.8036 -6.8034 -6.8034 -5.4021 -5.4021 -5.4020 -5.4020 -5.4010 -5.4010 -4.9717 -4.9717 -1.2988 -1.2988 -1.2903 -1.2903 -1.2901 -1.2901 -0.5669 -0.5669 -0.5572 -0.5572 -0.5571 -0.5571 -0.2888 -0.2888 -0.2885 -0.2885 3.4843 3.4843 3.4973 3.4973 3.4976 3.4976 3.5155 3.5155 3.5158 3.5158 4.1787 4.1788 k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -28.4740 -28.4740 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1206 -21.1206 -9.6152 -9.6152 -9.6001 -9.6001 -9.6001 -9.6001 -9.4493 -9.4493 -9.4493 -9.4493 -9.3257 -9.3257 -9.3084 -9.3084 -9.3084 -9.3084 -7.5820 -7.5820 -6.8037 -6.8037 -6.8035 -6.8035 -6.8035 -6.8035 -5.4020 -5.4020 -5.4020 -5.4020 -5.4010 -5.4010 -4.9712 -4.9712 -1.2994 -1.2994 -1.2909 -1.2909 -1.2909 -1.2909 -0.5668 -0.5668 -0.5571 -0.5571 -0.5571 -0.5571 -0.2882 -0.2882 -0.2882 -0.2882 3.4843 3.4843 3.4974 3.4974 3.4974 3.4974 3.5156 3.5156 3.5156 3.5156 4.1794 4.1795 k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -28.4740 -28.4740 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1406 -21.1206 -21.1206 -9.6152 -9.6152 -9.6001 -9.6001 -9.6001 -9.6001 -9.4493 -9.4493 -9.4493 -9.4493 -9.3257 -9.3257 -9.3084 -9.3084 -9.3084 -9.3084 -7.5820 -7.5820 -6.8037 -6.8037 -6.8035 -6.8035 -6.8035 -6.8035 -5.4020 -5.4020 -5.4020 -5.4020 -5.4010 -5.4010 -4.9712 -4.9712 -1.2994 -1.2994 -1.2909 -1.2909 -1.2909 -1.2909 -0.5668 -0.5668 -0.5571 -0.5571 -0.5571 -0.5571 -0.2882 -0.2882 -0.2882 -0.2882 3.4843 3.4843 3.4974 3.4974 3.4974 3.4974 3.5156 3.5156 3.5156 3.5156 4.1794 4.1795 k = 0.0104 0.0104 0.0104 ( 6901 PWs) bands (ev): -28.4739 -28.4739 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6151 -9.6151 -9.6001 -9.6001 -9.5999 -9.5999 -9.4493 -9.4493 -9.4493 -9.4493 -9.3259 -9.3259 -9.3087 -9.3087 -9.3085 -9.3085 -7.5811 -7.5811 -6.8038 -6.8038 -6.8035 -6.8035 -6.8035 -6.8035 -5.4021 -5.4021 -5.4020 -5.4020 -5.4010 -5.4010 -4.9717 -4.9717 -1.2988 -1.2988 -1.2902 -1.2902 -1.2902 -1.2902 -0.5669 -0.5669 -0.5572 -0.5572 -0.5571 -0.5571 -0.2886 -0.2886 -0.2886 -0.2886 3.4843 3.4843 3.4973 3.4973 3.4976 3.4976 3.5157 3.5157 3.5157 3.5157 4.1787 4.1789 k = 0.0208 0.0208 0.0208 ( 6901 PWs) bands (ev): -28.4738 -28.4738 -28.4328 -28.4328 -28.4328 -28.4328 -28.4328 -28.4328 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1206 -21.1206 -9.6148 -9.6148 -9.6001 -9.6001 -9.5993 -9.5993 -9.4494 -9.4494 -9.4494 -9.4494 -9.3265 -9.3265 -9.3097 -9.3097 -9.3087 -9.3087 -7.5785 -7.5785 -6.8040 -6.8040 -6.8038 -6.8038 -6.8035 -6.8035 -5.4024 -5.4024 -5.4021 -5.4021 -5.4012 -5.4012 -4.9731 -4.9731 -1.2968 -1.2968 -1.2884 -1.2884 -1.2882 -1.2882 -0.5672 -0.5672 -0.5575 -0.5575 -0.5574 -0.5574 -0.2900 -0.2900 -0.2900 -0.2900 3.4844 3.4844 3.4970 3.4970 3.4982 3.4982 3.5158 3.5158 3.5159 3.5159 4.1763 4.1763 k = 0.0312 0.0312 0.0312 ( 6901 PWs) bands (ev): -28.4737 -28.4737 -28.4328 -28.4328 -28.4328 -28.4328 -28.4328 -28.4328 -21.1406 -21.1406 -21.1406 -21.1406 -21.1405 -21.1405 -21.1207 -21.1207 -9.6144 -9.6144 -9.6000 -9.6000 -9.5983 -9.5983 -9.4496 -9.4496 -9.4495 -9.4495 -9.3277 -9.3277 -9.3113 -9.3113 -9.3091 -9.3091 -7.5741 -7.5741 -6.8044 -6.8044 -6.8042 -6.8042 -6.8036 -6.8036 -5.4029 -5.4029 -5.4021 -5.4021 -5.4013 -5.4013 -4.9755 -4.9755 -1.2936 -1.2936 -1.2852 -1.2852 -1.2848 -1.2848 -0.5678 -0.5678 -0.5581 -0.5581 -0.5579 -0.5579 -0.2923 -0.2923 -0.2923 -0.2923 3.4843 3.4843 3.4966 3.4966 3.4992 3.4992 3.5162 3.5162 3.5163 3.5163 4.1716 4.1716 k = 0.0417 0.0417 0.0417 ( 6895 PWs) bands (ev): -28.4735 -28.4735 -28.4329 -28.4329 -28.4329 -28.4329 -28.4329 -28.4329 -21.1405 -21.1405 -21.1405 -21.1405 -21.1405 -21.1405 -21.1208 -21.1208 -9.6140 -9.6140 -9.5998 -9.5998 -9.5969 -9.5969 -9.4498 -9.4498 -9.4497 -9.4497 -9.3296 -9.3296 -9.3133 -9.3133 -9.3096 -9.3096 -7.5680 -7.5680 -6.8050 -6.8050 -6.8048 -6.8048 -6.8037 -6.8037 -5.4036 -5.4036 -5.4022 -5.4022 -5.4014 -5.4014 -4.9788 -4.9788 -1.2892 -1.2892 -1.2809 -1.2809 -1.2802 -1.2802 -0.5686 -0.5686 -0.5589 -0.5589 -0.5586 -0.5586 -0.2954 -0.2954 -0.2954 -0.2954 3.4839 3.4839 3.4963 3.4963 3.5004 3.5004 3.5168 3.5168 3.5169 3.5169 4.1639 4.1640 k = 0.0521 0.0521 0.0521 ( 6895 PWs) bands (ev): -28.4732 -28.4732 -28.4330 -28.4330 -28.4330 -28.4330 -28.4330 -28.4330 -21.1405 -21.1405 -21.1405 -21.1405 -21.1404 -21.1404 -21.1210 -21.1210 -9.6136 -9.6136 -9.5993 -9.5993 -9.5952 -9.5952 -9.4501 -9.4501 -9.4500 -9.4500 -9.3323 -9.3323 -9.3155 -9.3155 -9.3103 -9.3103 -7.5602 -7.5602 -6.8058 -6.8058 -6.8056 -6.8056 -6.8038 -6.8038 -5.4046 -5.4046 -5.4023 -5.4023 -5.4016 -5.4016 -4.9830 -4.9830 -1.2835 -1.2835 -1.2753 -1.2753 -1.2742 -1.2742 -0.5696 -0.5696 -0.5600 -0.5600 -0.5596 -0.5596 -0.2994 -0.2994 -0.2994 -0.2994 3.4829 3.4829 3.4963 3.4963 3.5018 3.5018 3.5177 3.5177 3.5179 3.5179 4.1529 4.1529 k = 0.0625 0.0625 0.0625 ( 6886 PWs) bands (ev): -28.4728 -28.4728 -28.4331 -28.4331 -28.4331 -28.4331 -28.4331 -28.4331 -21.1404 -21.1404 -21.1404 -21.1404 -21.1404 -21.1404 -21.1212 -21.1212 -9.6135 -9.6135 -9.5983 -9.5983 -9.5931 -9.5931 -9.4504 -9.4504 -9.4503 -9.4503 -9.3359 -9.3359 -9.3176 -9.3176 -9.3111 -9.3111 -7.5509 -7.5509 -6.8068 -6.8068 -6.8066 -6.8066 -6.8040 -6.8040 -5.4058 -5.4058 -5.4024 -5.4024 -5.4016 -5.4016 -4.9880 -4.9880 -1.2766 -1.2766 -1.2684 -1.2684 -1.2670 -1.2670 -0.5708 -0.5708 -0.5613 -0.5613 -0.5607 -0.5607 -0.3043 -0.3043 -0.3043 -0.3043 3.4810 3.4810 3.4966 3.4966 3.5032 3.5032 3.5191 3.5191 3.5195 3.5195 4.1391 4.1391 k = 0.0729 0.0729 0.0729 ( 6874 PWs) bands (ev): -28.4724 -28.4724 -28.4332 -28.4332 -28.4332 -28.4332 -28.4332 -28.4332 -21.1404 -21.1404 -21.1404 -21.1404 -21.1403 -21.1403 -21.1214 -21.1214 -9.6137 -9.6137 -9.5969 -9.5969 -9.5907 -9.5907 -9.4508 -9.4508 -9.4507 -9.4507 -9.3407 -9.3407 -9.3196 -9.3196 -9.3120 -9.3120 -7.5400 -7.5400 -6.8080 -6.8080 -6.8078 -6.8078 -6.8043 -6.8043 -5.4071 -5.4071 -5.4024 -5.4024 -5.4017 -5.4017 -4.9939 -4.9939 -1.2686 -1.2686 -1.2604 -1.2604 -1.2586 -1.2586 -0.5722 -0.5722 -0.5628 -0.5628 -0.5620 -0.5620 -0.3100 -0.3100 -0.3100 -0.3100 3.4783 3.4783 3.4972 3.4972 3.5044 3.5044 3.5212 3.5212 3.5218 3.5218 4.1227 4.1227 k = 0.0833 0.0833 0.0833 ( 6880 PWs) bands (ev): -28.4719 -28.4719 -28.4334 -28.4334 -28.4334 -28.4334 -28.4334 -28.4334 -21.1403 -21.1403 -21.1403 -21.1403 -21.1402 -21.1402 -21.1216 -21.1216 -9.6142 -9.6142 -9.5950 -9.5950 -9.5880 -9.5880 -9.4513 -9.4513 -9.4511 -9.4511 -9.3464 -9.3464 -9.3213 -9.3213 -9.3129 -9.3129 -7.5278 -7.5278 -6.8094 -6.8094 -6.8093 -6.8093 -6.8046 -6.8046 -5.4086 -5.4086 -5.4024 -5.4024 -5.4017 -5.4017 -5.0006 -5.0006 -1.2595 -1.2595 -1.2512 -1.2512 -1.2491 -1.2491 -0.5739 -0.5739 -0.5646 -0.5646 -0.5635 -0.5635 -0.3166 -0.3166 -0.3165 -0.3165 3.4750 3.4750 3.4977 3.4977 3.5051 3.5051 3.5240 3.5240 3.5250 3.5250 4.1042 4.1042 k = 0.0938 0.0937 0.0937 ( 6874 PWs) bands (ev): -28.4714 -28.4714 -28.4336 -28.4336 -28.4336 -28.4336 -28.4336 -28.4336 -21.1402 -21.1402 -21.1402 -21.1402 -21.1401 -21.1401 -21.1219 -21.1219 -9.6151 -9.6151 -9.5926 -9.5926 -9.5850 -9.5850 -9.4518 -9.4518 -9.4515 -9.4515 -9.3530 -9.3530 -9.3229 -9.3229 -9.3139 -9.3139 -7.5142 -7.5142 -6.8111 -6.8111 -6.8109 -6.8109 -6.8052 -6.8052 -5.4101 -5.4101 -5.4023 -5.4023 -5.4017 -5.4017 -5.0080 -5.0080 -1.2493 -1.2493 -1.2409 -1.2409 -1.2383 -1.2383 -0.5758 -0.5758 -0.5666 -0.5666 -0.5653 -0.5653 -0.3239 -0.3239 -0.3238 -0.3238 3.4710 3.4710 3.4981 3.4981 3.5055 3.5055 3.5276 3.5276 3.5292 3.5292 4.0838 4.0838 k = 0.1042 0.1042 0.1042 ( 6868 PWs) bands (ev): -28.4708 -28.4708 -28.4338 -28.4338 -28.4338 -28.4338 -28.4338 -28.4338 -21.1401 -21.1401 -21.1401 -21.1401 -21.1400 -21.1400 -21.1222 -21.1222 -9.6162 -9.6162 -9.5899 -9.5899 -9.5818 -9.5818 -9.4523 -9.4523 -9.4520 -9.4520 -9.3604 -9.3604 -9.3243 -9.3243 -9.3149 -9.3149 -7.4995 -7.4995 -6.8130 -6.8130 -6.8128 -6.8128 -6.8059 -6.8059 -5.4116 -5.4116 -5.4022 -5.4022 -5.4015 -5.4015 -5.0161 -5.0161 -1.2382 -1.2382 -1.2295 -1.2295 -1.2266 -1.2266 -0.5779 -0.5779 -0.5689 -0.5689 -0.5673 -0.5673 -0.3320 -0.3320 -0.3319 -0.3319 3.4666 3.4666 3.4981 3.4981 3.5054 3.5054 3.5322 3.5322 3.5343 3.5343 4.0618 4.0618 k = 0.1146 0.1146 0.1146 ( 6880 PWs) bands (ev): -28.4701 -28.4701 -28.4340 -28.4340 -28.4340 -28.4340 -28.4340 -28.4340 -21.1400 -21.1400 -21.1400 -21.1400 -21.1400 -21.1400 -21.1225 -21.1225 -9.6175 -9.6175 -9.5869 -9.5869 -9.5785 -9.5785 -9.4528 -9.4528 -9.4524 -9.4524 -9.3684 -9.3684 -9.3255 -9.3255 -9.3159 -9.3159 -7.4836 -7.4836 -6.8152 -6.8152 -6.8150 -6.8150 -6.8068 -6.8068 -5.4132 -5.4132 -5.4020 -5.4020 -5.4013 -5.4013 -5.0248 -5.0248 -1.2262 -1.2262 -1.2170 -1.2170 -1.2138 -1.2138 -0.5803 -0.5803 -0.5713 -0.5713 -0.5695 -0.5695 -0.3408 -0.3408 -0.3407 -0.3407 3.4617 3.4617 3.4978 3.4978 3.5049 3.5049 3.5377 3.5377 3.5403 3.5403 4.0383 4.0383 k = 0.1250 0.1250 0.1250 ( 6883 PWs) bands (ev): -28.4694 -28.4694 -28.4342 -28.4342 -28.4342 -28.4342 -28.4342 -28.4342 -21.1399 -21.1399 -21.1399 -21.1399 -21.1398 -21.1398 -21.1229 -21.1229 -9.6190 -9.6190 -9.5837 -9.5837 -9.5751 -9.5751 -9.4533 -9.4533 -9.4527 -9.4527 -9.3770 -9.3770 -9.3267 -9.3267 -9.3169 -9.3169 -7.4668 -7.4668 -6.8176 -6.8176 -6.8174 -6.8174 -6.8079 -6.8079 -5.4147 -5.4147 -5.4016 -5.4016 -5.4009 -5.4009 -5.0342 -5.0342 -1.2133 -1.2133 -1.2035 -1.2035 -1.2000 -1.2000 -0.5830 -0.5830 -0.5740 -0.5740 -0.5719 -0.5719 -0.3502 -0.3502 -0.3501 -0.3501 3.4564 3.4564 3.4971 3.4971 3.5041 3.5041 3.5441 3.5441 3.5472 3.5472 4.0136 4.0136 k = 0.1354 0.1354 0.1354 ( 6874 PWs) bands (ev): -28.4687 -28.4687 -28.4344 -28.4344 -28.4344 -28.4344 -28.4344 -28.4344 -21.1398 -21.1398 -21.1398 -21.1398 -21.1397 -21.1397 -21.1232 -21.1232 -9.6205 -9.6205 -9.5804 -9.5804 -9.5717 -9.5717 -9.4537 -9.4537 -9.4529 -9.4529 -9.3861 -9.3861 -9.3277 -9.3277 -9.3178 -9.3178 -7.4492 -7.4492 -6.8203 -6.8203 -6.8202 -6.8202 -6.8094 -6.8094 -5.4161 -5.4161 -5.4011 -5.4011 -5.4004 -5.4004 -5.0440 -5.0440 -1.1996 -1.1996 -1.1891 -1.1891 -1.1854 -1.1854 -0.5858 -0.5858 -0.5770 -0.5770 -0.5745 -0.5745 -0.3603 -0.3603 -0.3602 -0.3602 3.4508 3.4508 3.4961 3.4961 3.5029 3.5029 3.5515 3.5515 3.5549 3.5549 3.9880 3.9880 k = 0.1458 0.1458 0.1458 ( 6856 PWs) bands (ev): -28.4679 -28.4679 -28.4347 -28.4347 -28.4347 -28.4347 -28.4347 -28.4347 -21.1397 -21.1397 -21.1397 -21.1397 -21.1396 -21.1396 -21.1236 -21.1236 -9.6221 -9.6221 -9.5772 -9.5772 -9.5683 -9.5683 -9.4540 -9.4540 -9.4529 -9.4529 -9.3955 -9.3955 -9.3285 -9.3285 -9.3186 -9.3186 -7.4308 -7.4308 -6.8234 -6.8234 -6.8232 -6.8232 -6.8111 -6.8111 -5.4174 -5.4174 -5.4004 -5.4004 -5.3997 -5.3997 -5.0543 -5.0543 -1.1851 -1.1851 -1.1739 -1.1739 -1.1700 -1.1700 -0.5889 -0.5889 -0.5801 -0.5801 -0.5774 -0.5774 -0.3710 -0.3710 -0.3709 -0.3709 3.4450 3.4450 3.4946 3.4946 3.5014 3.5014 3.5597 3.5597 3.5634 3.5634 3.9616 3.9616 k = 0.1562 0.1562 0.1562 ( 6862 PWs) bands (ev): -28.4671 -28.4671 -28.4350 -28.4350 -28.4350 -28.4350 -28.4350 -28.4350 -21.1396 -21.1396 -21.1396 -21.1396 -21.1395 -21.1395 -21.1240 -21.1240 -9.6237 -9.6237 -9.5741 -9.5741 -9.5652 -9.5652 -9.4541 -9.4541 -9.4526 -9.4526 -9.4052 -9.4052 -9.3292 -9.3292 -9.3193 -9.3193 -7.4118 -7.4118 -6.8267 -6.8267 -6.8266 -6.8266 -6.8132 -6.8132 -5.4185 -5.4185 -5.3995 -5.3995 -5.3989 -5.3989 -5.0649 -5.0649 -1.1699 -1.1699 -1.1579 -1.1579 -1.1538 -1.1538 -0.5922 -0.5922 -0.5835 -0.5835 -0.5806 -0.5806 -0.3823 -0.3823 -0.3822 -0.3822 3.4390 3.4390 3.4927 3.4927 3.4995 3.4995 3.5688 3.5688 3.5727 3.5727 3.9346 3.9346 k = 0.1667 0.1667 0.1667 ( 6856 PWs) bands (ev): -28.4662 -28.4662 -28.4353 -28.4353 -28.4353 -28.4353 -28.4352 -28.4352 -21.1395 -21.1395 -21.1394 -21.1394 -21.1393 -21.1393 -21.1245 -21.1245 -9.6254 -9.6254 -9.5712 -9.5712 -9.5623 -9.5623 -9.4539 -9.4539 -9.4520 -9.4520 -9.4150 -9.4150 -9.3297 -9.3297 -9.3198 -9.3198 -7.3923 -7.3923 -6.8304 -6.8304 -6.8302 -6.8302 -6.8156 -6.8156 -5.4193 -5.4193 -5.3984 -5.3984 -5.3978 -5.3978 -5.0759 -5.0759 -1.1540 -1.1540 -1.1412 -1.1412 -1.1370 -1.1370 -0.5957 -0.5957 -0.5871 -0.5871 -0.5839 -0.5839 -0.3940 -0.3940 -0.3939 -0.3939 3.4329 3.4329 3.4904 3.4904 3.4971 3.4971 3.5788 3.5788 3.5829 3.5829 3.9071 3.9071 k = 0.1771 0.1771 0.1771 ( 6868 PWs) bands (ev): -28.4653 -28.4653 -28.4355 -28.4355 -28.4355 -28.4355 -28.4355 -28.4355 -21.1394 -21.1394 -21.1393 -21.1393 -21.1392 -21.1392 -21.1249 -21.1249 -9.6270 -9.6270 -9.5687 -9.5687 -9.5599 -9.5599 -9.4534 -9.4534 -9.4509 -9.4509 -9.4248 -9.4248 -9.3301 -9.3301 -9.3203 -9.3203 -7.3724 -7.3724 -6.8344 -6.8344 -6.8342 -6.8342 -6.8184 -6.8184 -5.4199 -5.4199 -5.3971 -5.3971 -5.3965 -5.3965 -5.0871 -5.0871 -1.1375 -1.1375 -1.1240 -1.1240 -1.1197 -1.1197 -0.5995 -0.5995 -0.5909 -0.5909 -0.5875 -0.5875 -0.4063 -0.4063 -0.4061 -0.4061 3.4266 3.4266 3.4877 3.4877 3.4944 3.4944 3.5896 3.5896 3.5939 3.5939 3.8792 3.8792 k = 0.1875 0.1875 0.1875 ( 6856 PWs) bands (ev): -28.4644 -28.4644 -28.4359 -28.4359 -28.4358 -28.4358 -28.4358 -28.4358 -21.1392 -21.1392 -21.1392 -21.1392 -21.1391 -21.1391 -21.1254 -21.1254 -9.6285 -9.6285 -9.5666 -9.5666 -9.5580 -9.5580 -9.4530 -9.4530 -9.4492 -9.4492 -9.4343 -9.4343 -9.3303 -9.3303 -9.3205 -9.3205 -7.3523 -7.3523 -6.8387 -6.8387 -6.8385 -6.8385 -6.8217 -6.8217 -5.4201 -5.4201 -5.3956 -5.3956 -5.3950 -5.3950 -5.0985 -5.0985 -1.1205 -1.1205 -1.1062 -1.1062 -1.1018 -1.1018 -0.6034 -0.6034 -0.5949 -0.5949 -0.5913 -0.5913 -0.4189 -0.4189 -0.4187 -0.4187 3.4203 3.4203 3.4845 3.4845 3.4912 3.4912 3.6012 3.6012 3.6057 3.6057 3.8512 3.8512 k = 0.1979 0.1979 0.1979 ( 6869 PWs) bands (ev): -28.4635 -28.4635 -28.4362 -28.4362 -28.4362 -28.4362 -28.4362 -28.4362 -21.1391 -21.1391 -21.1391 -21.1391 -21.1389 -21.1389 -21.1259 -21.1259 -9.6300 -9.6300 -9.5652 -9.5652 -9.5567 -9.5567 -9.4539 -9.4539 -9.4469 -9.4469 -9.4418 -9.4418 -9.3304 -9.3304 -9.3207 -9.3207 -7.3321 -7.3321 -6.8433 -6.8433 -6.8431 -6.8431 -6.8254 -6.8254 -5.4199 -5.4199 -5.3939 -5.3939 -5.3933 -5.3933 -5.1101 -5.1101 -1.1030 -1.1030 -1.0880 -1.0880 -1.0835 -1.0835 -0.6076 -0.6076 -0.5991 -0.5991 -0.5954 -0.5954 -0.4318 -0.4318 -0.4316 -0.4316 3.4140 3.4140 3.4808 3.4808 3.4875 3.4875 3.6136 3.6136 3.6183 3.6183 3.8231 3.8231 k = 0.2083 0.2083 0.2083 ( 6857 PWs) bands (ev): -28.4625 -28.4625 -28.4365 -28.4365 -28.4365 -28.4365 -28.4365 -28.4365 -21.1389 -21.1389 -21.1389 -21.1389 -21.1388 -21.1388 -21.1263 -21.1263 -9.6314 -9.6314 -9.5644 -9.5644 -9.5561 -9.5561 -9.4599 -9.4599 -9.4439 -9.4439 -9.4437 -9.4437 -9.3302 -9.3302 -9.3206 -9.3206 -7.3119 -7.3119 -6.8482 -6.8482 -6.8481 -6.8481 -6.8295 -6.8295 -5.4194 -5.4194 -5.3919 -5.3919 -5.3913 -5.3913 -5.1217 -5.1217 -1.0851 -1.0851 -1.0694 -1.0694 -1.0649 -1.0649 -0.6119 -0.6119 -0.6035 -0.6035 -0.5997 -0.5997 -0.4450 -0.4450 -0.4448 -0.4448 3.4077 3.4077 3.4766 3.4766 3.4834 3.4834 3.6269 3.6269 3.6317 3.6317 3.7951 3.7951 k = 0.2188 0.2187 0.2187 ( 6860 PWs) bands (ev): -28.4615 -28.4615 -28.4368 -28.4368 -28.4368 -28.4368 -28.4368 -28.4368 -21.1388 -21.1388 -21.1388 -21.1388 -21.1386 -21.1386 -21.1268 -21.1268 -9.6327 -9.6327 -9.5642 -9.5642 -9.5562 -9.5562 -9.4689 -9.4689 -9.4416 -9.4416 -9.4401 -9.4401 -9.3299 -9.3299 -9.3204 -9.3204 -7.2917 -7.2917 -6.8535 -6.8535 -6.8533 -6.8533 -6.8341 -6.8341 -5.4184 -5.4184 -5.3897 -5.3897 -5.3891 -5.3891 -5.1332 -5.1332 -1.0669 -1.0669 -1.0506 -1.0506 -1.0460 -1.0460 -0.6164 -0.6164 -0.6080 -0.6080 -0.6042 -0.6042 -0.4585 -0.4585 -0.4583 -0.4583 3.4015 3.4015 3.4720 3.4720 3.4787 3.4787 3.6410 3.6410 3.6459 3.6459 3.7672 3.7672 k = 0.2292 0.2292 0.2292 ( 6872 PWs) bands (ev): -28.4605 -28.4605 -28.4371 -28.4371 -28.4371 -28.4371 -28.4371 -28.4371 -21.1387 -21.1387 -21.1386 -21.1386 -21.1385 -21.1385 -21.1274 -21.1274 -9.6339 -9.6339 -9.5648 -9.5648 -9.5570 -9.5570 -9.4787 -9.4787 -9.4381 -9.4381 -9.4357 -9.4357 -9.3294 -9.3294 -9.3201 -9.3201 -7.2718 -7.2718 -6.8590 -6.8590 -6.8589 -6.8589 -6.8391 -6.8391 -5.4169 -5.4169 -5.3872 -5.3872 -5.3866 -5.3866 -5.1448 -5.1448 -1.0485 -1.0485 -1.0317 -1.0317 -1.0270 -1.0270 -0.6210 -0.6210 -0.6126 -0.6126 -0.6088 -0.6088 -0.4722 -0.4722 -0.4719 -0.4719 3.3954 3.3954 3.4668 3.4668 3.4736 3.4736 3.6557 3.6557 3.6609 3.6609 3.7396 3.7396 k = 0.2396 0.2396 0.2396 ( 6884 PWs) bands (ev): -28.4595 -28.4595 -28.4375 -28.4375 -28.4375 -28.4375 -28.4375 -28.4375 -21.1385 -21.1385 -21.1385 -21.1385 -21.1384 -21.1384 -21.1279 -21.1279 -9.6349 -9.6349 -9.5661 -9.5661 -9.5585 -9.5585 -9.4886 -9.4886 -9.4336 -9.4336 -9.4306 -9.4306 -9.3288 -9.3288 -9.3196 -9.3196 -7.2521 -7.2521 -6.8648 -6.8648 -6.8647 -6.8647 -6.8446 -6.8446 -5.4150 -5.4150 -5.3845 -5.3845 -5.3840 -5.3840 -5.1562 -5.1562 -1.0298 -1.0298 -1.0126 -1.0126 -1.0079 -1.0079 -0.6258 -0.6258 -0.6174 -0.6174 -0.6137 -0.6137 -0.4859 -0.4859 -0.4857 -0.4857 3.3894 3.3894 3.4612 3.4612 3.4680 3.4680 3.6710 3.6710 3.6765 3.6765 3.7126 3.7126 k = 0.2500 0.2500 0.2500 ( 6881 PWs) bands (ev): -28.4585 -28.4585 -28.4378 -28.4378 -28.4378 -28.4378 -28.4378 -28.4378 -21.1384 -21.1384 -21.1384 -21.1384 -21.1382 -21.1382 -21.1284 -21.1284 -9.6358 -9.6358 -9.5679 -9.5679 -9.5605 -9.5605 -9.4984 -9.4984 -9.4285 -9.4285 -9.4249 -9.4249 -9.3281 -9.3281 -9.3189 -9.3189 -7.2328 -7.2328 -6.8709 -6.8709 -6.8708 -6.8708 -6.8506 -6.8506 -5.4126 -5.4126 -5.3816 -5.3816 -5.3811 -5.3811 -5.1675 -5.1675 -1.0110 -1.0110 -0.9935 -0.9935 -0.9888 -0.9888 -0.6307 -0.6307 -0.6223 -0.6223 -0.6187 -0.6187 -0.4997 -0.4997 -0.4995 -0.4995 3.3836 3.3836 3.4551 3.4551 3.4620 3.4620 3.6817 3.6817 3.6913 3.6913 3.6929 3.6929 k = 0.2604 0.2604 0.2604 ( 6884 PWs) bands (ev): -28.4574 -28.4574 -28.4381 -28.4381 -28.4381 -28.4381 -28.4381 -28.4381 -21.1383 -21.1383 -21.1382 -21.1382 -21.1381 -21.1381 -21.1289 -21.1289 -9.6366 -9.6366 -9.5703 -9.5703 -9.5631 -9.5631 -9.5081 -9.5081 -9.4227 -9.4227 -9.4188 -9.4188 -9.3272 -9.3272 -9.3181 -9.3181 -7.2140 -7.2140 -6.8772 -6.8772 -6.8771 -6.8771 -6.8569 -6.8569 -5.4097 -5.4097 -5.3785 -5.3785 -5.3780 -5.3780 -5.1785 -5.1785 -0.9923 -0.9923 -0.9745 -0.9745 -0.9698 -0.9698 -0.6357 -0.6357 -0.6273 -0.6273 -0.6239 -0.6239 -0.5136 -0.5136 -0.5133 -0.5133 3.3780 3.3780 3.4486 3.4486 3.4555 3.4555 3.6583 3.6583 3.7051 3.7051 3.7099 3.7099 k = 0.2708 0.2708 0.2708 ( 6872 PWs) bands (ev): -28.4564 -28.4564 -28.4385 -28.4385 -28.4385 -28.4385 -28.4385 -28.4385 -21.1381 -21.1381 -21.1381 -21.1381 -21.1379 -21.1379 -21.1294 -21.1294 -9.6372 -9.6372 -9.5731 -9.5731 -9.5660 -9.5660 -9.5175 -9.5175 -9.4165 -9.4165 -9.4122 -9.4122 -9.3262 -9.3262 -9.3173 -9.3173 -7.1956 -7.1956 -6.8837 -6.8837 -6.8836 -6.8836 -6.8636 -6.8636 -5.4063 -5.4063 -5.3752 -5.3752 -5.3747 -5.3747 -5.1893 -5.1893 -0.9735 -0.9735 -0.9557 -0.9557 -0.9510 -0.9510 -0.6408 -0.6408 -0.6323 -0.6323 -0.6292 -0.6292 -0.5273 -0.5273 -0.5270 -0.5270 3.3726 3.3726 3.4418 3.4418 3.4487 3.4487 3.6327 3.6327 3.7224 3.7224 3.7274 3.7274 k = 0.2812 0.2812 0.2812 ( 6875 PWs) bands (ev): -28.4554 -28.4554 -28.4388 -28.4388 -28.4388 -28.4388 -28.4388 -28.4388 -21.1380 -21.1380 -21.1379 -21.1379 -21.1378 -21.1378 -21.1299 -21.1299 -9.6377 -9.6377 -9.5763 -9.5763 -9.5693 -9.5693 -9.5267 -9.5267 -9.4099 -9.4099 -9.4053 -9.4053 -9.3251 -9.3251 -9.3163 -9.3163 -7.1779 -7.1779 -6.8904 -6.8904 -6.8902 -6.8902 -6.8707 -6.8707 -5.4025 -5.4025 -5.3718 -5.3718 -5.3712 -5.3712 -5.1997 -5.1997 -0.9549 -0.9549 -0.9371 -0.9371 -0.9324 -0.9324 -0.6459 -0.6459 -0.6374 -0.6374 -0.6345 -0.6345 -0.5409 -0.5409 -0.5406 -0.5406 3.3674 3.3674 3.4345 3.4345 3.4415 3.4415 3.6075 3.6075 3.7403 3.7403 3.7455 3.7455 k = 0.2917 0.2917 0.2917 ( 6872 PWs) bands (ev): -28.4544 -28.4544 -28.4391 -28.4391 -28.4391 -28.4391 -28.4391 -28.4391 -21.1378 -21.1378 -21.1378 -21.1378 -21.1377 -21.1377 -21.1304 -21.1304 -9.6380 -9.6380 -9.5798 -9.5798 -9.5729 -9.5729 -9.5356 -9.5356 -9.4030 -9.4030 -9.3982 -9.3982 -9.3240 -9.3240 -9.3152 -9.3152 -7.1608 -7.1608 -6.8972 -6.8972 -6.8970 -6.8970 -6.8781 -6.8781 -5.3982 -5.3982 -5.3682 -5.3682 -5.3676 -5.3676 -5.2099 -5.2099 -0.9365 -0.9365 -0.9188 -0.9188 -0.9141 -0.9141 -0.6511 -0.6511 -0.6426 -0.6426 -0.6400 -0.6400 -0.5544 -0.5544 -0.5541 -0.5541 3.3625 3.3625 3.4270 3.4270 3.4340 3.4340 3.5831 3.5831 3.7586 3.7586 3.7640 3.7640 k = 0.3021 0.3021 0.3021 ( 6881 PWs) bands (ev): -28.4535 -28.4535 -28.4394 -28.4394 -28.4394 -28.4394 -28.4394 -28.4394 -21.1377 -21.1377 -21.1377 -21.1377 -21.1376 -21.1376 -21.1309 -21.1309 -9.6382 -9.6382 -9.5836 -9.5836 -9.5767 -9.5767 -9.5442 -9.5442 -9.3960 -9.3960 -9.3910 -9.3910 -9.3228 -9.3228 -9.3140 -9.3140 -7.1444 -7.1444 -6.9041 -6.9041 -6.9039 -6.9039 -6.8857 -6.8857 -5.3936 -5.3936 -5.3645 -5.3645 -5.3639 -5.3639 -5.2197 -5.2197 -0.9184 -0.9184 -0.9009 -0.9009 -0.8962 -0.8962 -0.6563 -0.6563 -0.6477 -0.6477 -0.6454 -0.6454 -0.5676 -0.5676 -0.5673 -0.5673 3.3578 3.3578 3.4193 3.4193 3.4263 3.4263 3.5594 3.5594 3.7773 3.7773 3.7827 3.7827 k = 0.3125 0.3125 0.3125 ( 6881 PWs) bands (ev): -28.4525 -28.4525 -28.4397 -28.4397 -28.4397 -28.4397 -28.4397 -28.4397 -21.1376 -21.1376 -21.1376 -21.1376 -21.1374 -21.1374 -21.1314 -21.1314 -9.6383 -9.6383 -9.5874 -9.5874 -9.5806 -9.5806 -9.5524 -9.5524 -9.3888 -9.3888 -9.3836 -9.3836 -9.3215 -9.3215 -9.3128 -9.3128 -7.1288 -7.1288 -6.9110 -6.9110 -6.9109 -6.9109 -6.8935 -6.8935 -5.3886 -5.3886 -5.3607 -5.3607 -5.3601 -5.3601 -5.2290 -5.2290 -0.9006 -0.9006 -0.8835 -0.8835 -0.8788 -0.8788 -0.6614 -0.6614 -0.6527 -0.6527 -0.6509 -0.6509 -0.5805 -0.5805 -0.5802 -0.5802 3.3533 3.3533 3.4114 3.4114 3.4184 3.4184 3.5366 3.5366 3.7962 3.7962 3.8017 3.8017 k = 0.3229 0.3229 0.3229 ( 6875 PWs) bands (ev): -28.4516 -28.4516 -28.4400 -28.4400 -28.4400 -28.4400 -28.4400 -28.4400 -21.1375 -21.1375 -21.1374 -21.1374 -21.1373 -21.1373 -21.1319 -21.1319 -9.6382 -9.6382 -9.5914 -9.5914 -9.5845 -9.5845 -9.5603 -9.5603 -9.3816 -9.3816 -9.3763 -9.3763 -9.3202 -9.3202 -9.3116 -9.3116 -7.1139 -7.1139 -6.9180 -6.9180 -6.9178 -6.9178 -6.9015 -6.9015 -5.3834 -5.3834 -5.3568 -5.3568 -5.3563 -5.3563 -5.2380 -5.2380 -0.8833 -0.8833 -0.8665 -0.8665 -0.8619 -0.8619 -0.6665 -0.6665 -0.6578 -0.6578 -0.6563 -0.6563 -0.5931 -0.5931 -0.5928 -0.5928 3.3492 3.3492 3.4033 3.4033 3.4104 3.4104 3.5146 3.5146 3.8152 3.8152 3.8209 3.8209 k = 0.3333 0.3333 0.3333 ( 6881 PWs) bands (ev): -28.4507 -28.4507 -28.4403 -28.4403 -28.4403 -28.4403 -28.4403 -28.4403 -21.1373 -21.1373 -21.1373 -21.1373 -21.1372 -21.1372 -21.1323 -21.1323 -9.6381 -9.6381 -9.5953 -9.5953 -9.5885 -9.5885 -9.5678 -9.5678 -9.3744 -9.3744 -9.3690 -9.3690 -9.3189 -9.3189 -9.3103 -9.3103 -7.0998 -7.0998 -6.9249 -6.9249 -6.9247 -6.9247 -6.9095 -6.9095 -5.3779 -5.3779 -5.3529 -5.3529 -5.3524 -5.3524 -5.2465 -5.2465 -0.8664 -0.8664 -0.8502 -0.8502 -0.8456 -0.8456 -0.6716 -0.6716 -0.6627 -0.6627 -0.6617 -0.6617 -0.6053 -0.6053 -0.6049 -0.6049 3.3453 3.3453 3.3953 3.3953 3.4023 3.4023 3.4935 3.4935 3.8342 3.8342 3.8400 3.8400 k = 0.3438 0.3437 0.3437 ( 6881 PWs) bands (ev): -28.4498 -28.4498 -28.4406 -28.4406 -28.4406 -28.4406 -28.4406 -28.4406 -21.1372 -21.1372 -21.1372 -21.1372 -21.1371 -21.1371 -21.1328 -21.1328 -9.6378 -9.6378 -9.5993 -9.5993 -9.5924 -9.5924 -9.5749 -9.5749 -9.3673 -9.3673 -9.3619 -9.3619 -9.3176 -9.3176 -9.3089 -9.3089 -7.0866 -7.0866 -6.9317 -6.9317 -6.9315 -6.9315 -6.9175 -6.9175 -5.3722 -5.3722 -5.3491 -5.3491 -5.3486 -5.3486 -5.2545 -5.2545 -0.8502 -0.8502 -0.8345 -0.8345 -0.8300 -0.8300 -0.6765 -0.6765 -0.6675 -0.6675 -0.6670 -0.6670 -0.6170 -0.6170 -0.6166 -0.6166 3.3416 3.3416 3.3873 3.3873 3.3943 3.3943 3.4735 3.4735 3.8531 3.8531 3.8589 3.8589 k = 0.3542 0.3542 0.3542 ( 6881 PWs) bands (ev): -28.4490 -28.4490 -28.4409 -28.4409 -28.4409 -28.4409 -28.4409 -28.4409 -21.1371 -21.1371 -21.1371 -21.1371 -21.1370 -21.1370 -21.1332 -21.1332 -9.6375 -9.6375 -9.6031 -9.6031 -9.5963 -9.5963 -9.5816 -9.5816 -9.3604 -9.3604 -9.3550 -9.3550 -9.3163 -9.3163 -9.3076 -9.3076 -7.0743 -7.0743 -6.9384 -6.9384 -6.9382 -6.9382 -6.9254 -6.9254 -5.3664 -5.3664 -5.3453 -5.3453 -5.3448 -5.3448 -5.2621 -5.2621 -0.8347 -0.8347 -0.8195 -0.8195 -0.8151 -0.8151 -0.6814 -0.6814 -0.6722 -0.6722 -0.6721 -0.6721 -0.6281 -0.6281 -0.6277 -0.6277 3.3383 3.3383 3.3795 3.3795 3.3864 3.3864 3.4545 3.4545 3.8718 3.8718 3.8776 3.8776 k = 0.3646 0.3646 0.3646 ( 6875 PWs) bands (ev): -28.4482 -28.4482 -28.4411 -28.4411 -28.4411 -28.4411 -28.4411 -28.4411 -21.1370 -21.1370 -21.1370 -21.1370 -21.1369 -21.1369 -21.1336 -21.1336 -9.6372 -9.6372 -9.6068 -9.6068 -9.6000 -9.6000 -9.5878 -9.5878 -9.3537 -9.3537 -9.3483 -9.3483 -9.3150 -9.3150 -9.3063 -9.3063 -7.0628 -7.0628 -6.9448 -6.9448 -6.9447 -6.9447 -6.9332 -6.9332 -5.3606 -5.3606 -5.3415 -5.3415 -5.3410 -5.3410 -5.2691 -5.2691 -0.8199 -0.8199 -0.8053 -0.8053 -0.8009 -0.8009 -0.6860 -0.6860 -0.6770 -0.6770 -0.6767 -0.6767 -0.6387 -0.6387 -0.6383 -0.6383 3.3351 3.3351 3.3718 3.3718 3.3787 3.3787 3.4366 3.4366 3.8900 3.8900 3.8959 3.8959 k = 0.3750 0.3750 0.3750 ( 6878 PWs) bands (ev): -28.4474 -28.4474 -28.4414 -28.4414 -28.4414 -28.4414 -28.4414 -28.4414 -21.1369 -21.1369 -21.1369 -21.1369 -21.1368 -21.1368 -21.1340 -21.1340 -9.6368 -9.6368 -9.6104 -9.6104 -9.6036 -9.6036 -9.5936 -9.5936 -9.3472 -9.3472 -9.3419 -9.3419 -9.3138 -9.3138 -9.3049 -9.3049 -7.0521 -7.0521 -6.9511 -6.9511 -6.9509 -6.9509 -6.9408 -6.9408 -5.3549 -5.3549 -5.3379 -5.3379 -5.3374 -5.3374 -5.2757 -5.2757 -0.8059 -0.8059 -0.7919 -0.7919 -0.7876 -0.7876 -0.6905 -0.6905 -0.6817 -0.6817 -0.6811 -0.6811 -0.6487 -0.6487 -0.6482 -0.6482 3.3322 3.3322 3.3644 3.3644 3.3713 3.3713 3.4198 3.4198 3.9077 3.9077 3.9136 3.9136 k = 0.3854 0.3854 0.3854 ( 6893 PWs) bands (ev): -28.4467 -28.4467 -28.4416 -28.4416 -28.4416 -28.4416 -28.4416 -28.4416 -21.1368 -21.1368 -21.1368 -21.1368 -21.1367 -21.1367 -21.1343 -21.1343 -9.6365 -9.6365 -9.6137 -9.6137 -9.6070 -9.6070 -9.5989 -9.5989 -9.3411 -9.3411 -9.3360 -9.3360 -9.3126 -9.3126 -9.3036 -9.3036 -7.0424 -7.0424 -6.9570 -6.9570 -6.9569 -6.9569 -6.9481 -6.9481 -5.3492 -5.3492 -5.3345 -5.3345 -5.3340 -5.3340 -5.2818 -5.2818 -0.7927 -0.7927 -0.7794 -0.7794 -0.7752 -0.7752 -0.6948 -0.6948 -0.6862 -0.6862 -0.6853 -0.6853 -0.6580 -0.6580 -0.6575 -0.6575 3.3295 3.3295 3.3574 3.3574 3.3641 3.3641 3.4043 3.4043 3.9246 3.9246 3.9306 3.9306 k = 0.3958 0.3958 0.3958 ( 6881 PWs) bands (ev): -28.4461 -28.4461 -28.4418 -28.4418 -28.4418 -28.4418 -28.4418 -28.4418 -21.1367 -21.1367 -21.1367 -21.1367 -21.1367 -21.1367 -21.1347 -21.1347 -9.6362 -9.6362 -9.6168 -9.6168 -9.6102 -9.6102 -9.6038 -9.6038 -9.3354 -9.3354 -9.3304 -9.3304 -9.3115 -9.3115 -9.3022 -9.3022 -7.0335 -7.0335 -6.9626 -6.9626 -6.9625 -6.9625 -6.9551 -6.9551 -5.3438 -5.3438 -5.3312 -5.3312 -5.3307 -5.3307 -5.2873 -5.2873 -0.7805 -0.7805 -0.7678 -0.7678 -0.7638 -0.7638 -0.6989 -0.6989 -0.6904 -0.6904 -0.6892 -0.6892 -0.6666 -0.6666 -0.6660 -0.6660 3.3270 3.3270 3.3508 3.3508 3.3574 3.3574 3.3900 3.3900 3.9408 3.9408 3.9467 3.9467 k = 0.4062 0.4062 0.4062 ( 6875 PWs) bands (ev): -28.4455 -28.4455 -28.4420 -28.4420 -28.4420 -28.4420 -28.4420 -28.4420 -21.1367 -21.1367 -21.1367 -21.1367 -21.1366 -21.1366 -21.1350 -21.1350 -9.6361 -9.6361 -9.6195 -9.6195 -9.6132 -9.6132 -9.6082 -9.6082 -9.3300 -9.3300 -9.3253 -9.3253 -9.3104 -9.3104 -9.3009 -9.3009 -7.0255 -7.0255 -6.9679 -6.9679 -6.9677 -6.9677 -6.9616 -6.9616 -5.3386 -5.3386 -5.3281 -5.3281 -5.3276 -5.3276 -5.2923 -5.2923 -0.7693 -0.7693 -0.7572 -0.7572 -0.7533 -0.7533 -0.7027 -0.7027 -0.6944 -0.6944 -0.6930 -0.6930 -0.6744 -0.6744 -0.6737 -0.6737 3.3246 3.3246 3.3447 3.3447 3.3511 3.3511 3.3769 3.3769 3.9559 3.9559 3.9618 3.9618 k = 0.4167 0.4167 0.4167 ( 6878 PWs) bands (ev): -28.4449 -28.4449 -28.4422 -28.4422 -28.4422 -28.4422 -28.4422 -28.4422 -21.1366 -21.1366 -21.1366 -21.1366 -21.1365 -21.1365 -21.1353 -21.1353 -9.6361 -9.6361 -9.6218 -9.6218 -9.6159 -9.6159 -9.6121 -9.6121 -9.3251 -9.3251 -9.3208 -9.3208 -9.3095 -9.3095 -9.2995 -9.2995 -7.0184 -7.0184 -6.9727 -6.9727 -6.9725 -6.9725 -6.9676 -6.9676 -5.3337 -5.3337 -5.3253 -5.3253 -5.3248 -5.3248 -5.2968 -5.2968 -0.7592 -0.7592 -0.7477 -0.7477 -0.7439 -0.7439 -0.7062 -0.7062 -0.6980 -0.6980 -0.6966 -0.6966 -0.6813 -0.6813 -0.6804 -0.6804 3.3223 3.3223 3.3393 3.3393 3.3453 3.3453 3.3652 3.3652 3.9699 3.9699 3.9758 3.9758 k = 0.4271 0.4271 0.4271 ( 6869 PWs) bands (ev): -28.4445 -28.4445 -28.4423 -28.4423 -28.4423 -28.4423 -28.4423 -28.4423 -21.1365 -21.1365 -21.1365 -21.1365 -21.1365 -21.1365 -21.1355 -21.1355 -9.6364 -9.6364 -9.6236 -9.6236 -9.6184 -9.6184 -9.6155 -9.6155 -9.3207 -9.3207 -9.3169 -9.3169 -9.3086 -9.3086 -9.2981 -9.2981 -7.0121 -7.0121 -6.9770 -6.9770 -6.9769 -6.9769 -6.9730 -6.9730 -5.3293 -5.3293 -5.3227 -5.3227 -5.3222 -5.3222 -5.3007 -5.3007 -0.7501 -0.7501 -0.7393 -0.7393 -0.7357 -0.7357 -0.7093 -0.7093 -0.7012 -0.7012 -0.6999 -0.6999 -0.6874 -0.6874 -0.6862 -0.6862 3.3200 3.3200 3.3345 3.3345 3.3401 3.3401 3.3549 3.3549 3.9827 3.9827 3.9883 3.9883 k = 0.4375 0.4375 0.4375 ( 6863 PWs) bands (ev): -28.4440 -28.4440 -28.4425 -28.4425 -28.4425 -28.4425 -28.4425 -28.4425 -21.1365 -21.1365 -21.1365 -21.1365 -21.1364 -21.1364 -21.1357 -21.1357 -9.6369 -9.6369 -9.6249 -9.6249 -9.6205 -9.6205 -9.6185 -9.6185 -9.3168 -9.3168 -9.3136 -9.3136 -9.3078 -9.3078 -9.2968 -9.2968 -7.0067 -7.0067 -6.9809 -6.9809 -6.9807 -6.9807 -6.9779 -6.9779 -5.3253 -5.3253 -5.3204 -5.3204 -5.3199 -5.3199 -5.3041 -5.3041 -0.7422 -0.7422 -0.7321 -0.7321 -0.7286 -0.7286 -0.7121 -0.7121 -0.7040 -0.7040 -0.7028 -0.7028 -0.6925 -0.6925 -0.6910 -0.6910 3.3176 3.3176 3.3306 3.3306 3.3354 3.3354 3.3460 3.3460 3.9940 3.9940 3.9994 3.9994 k = 0.4479 0.4479 0.4479 ( 6851 PWs) bands (ev): -28.4437 -28.4437 -28.4426 -28.4426 -28.4426 -28.4426 -28.4426 -28.4426 -21.1364 -21.1364 -21.1364 -21.1364 -21.1364 -21.1364 -21.1359 -21.1359 -9.6376 -9.6376 -9.6257 -9.6257 -9.6223 -9.6223 -9.6210 -9.6210 -9.3134 -9.3134 -9.3109 -9.3109 -9.3071 -9.3071 -9.2954 -9.2954 -7.0022 -7.0022 -6.9842 -6.9842 -6.9841 -6.9841 -6.9820 -6.9820 -5.3218 -5.3218 -5.3184 -5.3184 -5.3180 -5.3180 -5.3070 -5.3070 -0.7355 -0.7355 -0.7264 -0.7264 -0.7231 -0.7231 -0.7145 -0.7145 -0.7062 -0.7062 -0.7052 -0.7052 -0.6967 -0.6967 -0.6948 -0.6948 3.3152 3.3152 3.3276 3.3276 3.3314 3.3314 3.3385 3.3385 4.0038 4.0038 4.0087 4.0087 k = 0.4583 0.4583 0.4583 ( 6833 PWs) bands (ev): -28.4434 -28.4434 -28.4427 -28.4427 -28.4427 -28.4427 -28.4427 -28.4427 -21.1364 -21.1364 -21.1364 -21.1364 -21.1364 -21.1364 -21.1360 -21.1360 -9.6385 -9.6385 -9.6262 -9.6262 -9.6239 -9.6239 -9.6230 -9.6230 -9.3106 -9.3106 -9.3089 -9.3089 -9.3066 -9.3066 -9.2941 -9.2941 -6.9985 -6.9985 -6.9870 -6.9870 -6.9868 -6.9868 -6.9855 -6.9855 -5.3190 -5.3190 -5.3168 -5.3168 -5.3163 -5.3163 -5.3094 -5.3094 -0.7301 -0.7301 -0.7224 -0.7224 -0.7195 -0.7195 -0.7164 -0.7164 -0.7075 -0.7075 -0.7066 -0.7066 -0.7000 -0.7000 -0.6976 -0.6976 3.3128 3.3128 3.3254 3.3254 3.3281 3.3281 3.3325 3.3325 4.0120 4.0120 4.0161 4.0161 k = 0.4688 0.4687 0.4687 ( 6836 PWs) bands (ev): -28.4431 -28.4431 -28.4427 -28.4427 -28.4427 -28.4427 -28.4427 -28.4427 -21.1364 -21.1364 -21.1364 -21.1364 -21.1363 -21.1363 -21.1362 -21.1362 -9.6392 -9.6392 -9.6264 -9.6264 -9.6251 -9.6251 -9.6246 -9.6246 -9.3084 -9.3084 -9.3074 -9.3074 -9.3062 -9.3062 -9.2930 -9.2930 -6.9956 -6.9956 -6.9891 -6.9891 -6.9890 -6.9890 -6.9883 -6.9883 -5.3167 -5.3167 -5.3155 -5.3155 -5.3150 -5.3150 -5.3112 -5.3112 -0.7260 -0.7260 -0.7205 -0.7205 -0.7180 -0.7180 -0.7176 -0.7176 -0.7075 -0.7075 -0.7066 -0.7066 -0.7024 -0.7024 -0.6995 -0.6995 3.3106 3.3106 3.3239 3.3239 3.3255 3.3255 3.3279 3.3279 4.0185 4.0185 4.0215 4.0215 k = 0.4792 0.4792 0.4792 ( 6836 PWs) bands (ev): -28.4430 -28.4430 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1362 -21.1362 -9.6398 -9.6398 -9.6265 -9.6265 -9.6259 -9.6259 -9.6257 -9.6257 -9.3069 -9.3069 -9.3064 -9.3064 -9.3058 -9.3058 -9.2921 -9.2921 -6.9935 -6.9935 -6.9907 -6.9907 -6.9905 -6.9905 -6.9902 -6.9902 -5.3151 -5.3151 -5.3146 -5.3146 -5.3141 -5.3141 -5.3124 -5.3124 -0.7237 -0.7237 -0.7198 -0.7198 -0.7182 -0.7182 -0.7181 -0.7181 -0.7066 -0.7066 -0.7059 -0.7059 -0.7041 -0.7041 -0.7005 -0.7005 3.3089 3.3089 3.3229 3.3229 3.3237 3.3237 3.3247 3.3247 4.0232 4.0232 4.0247 4.0247 k = 0.4896 0.4896 0.4896 ( 6866 PWs) bands (ev): -28.4429 -28.4429 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6402 -9.6402 -9.6266 -9.6266 -9.6264 -9.6264 -9.6264 -9.6264 -9.3059 -9.3059 -9.3058 -9.3058 -9.3057 -9.3057 -9.2916 -9.2916 -6.9923 -6.9923 -6.9916 -6.9916 -6.9915 -6.9915 -6.9914 -6.9914 -5.3141 -5.3141 -5.3140 -5.3140 -5.3138 -5.3138 -5.3130 -5.3130 -0.7230 -0.7230 -0.7190 -0.7190 -0.7185 -0.7185 -0.7185 -0.7185 -0.7058 -0.7058 -0.7055 -0.7055 -0.7051 -0.7051 -0.7008 -0.7008 3.3077 3.3077 3.3223 3.3223 3.3225 3.3225 3.3228 3.3228 4.0260 4.0263 4.0264 4.0268 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6404 -9.6404 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.2914 -9.2914 -6.9921 -6.9921 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3129 -5.3129 -0.7230 -0.7230 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7008 -0.7008 3.3073 3.3073 3.3221 3.3221 3.3221 3.3221 3.3221 3.3221 4.0269 4.0269 4.0269 4.0269 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6404 -9.6404 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.2914 -9.2914 -6.9921 -6.9921 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3129 -5.3129 -0.7230 -0.7230 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7008 -0.7008 3.3073 3.3073 3.3221 3.3221 3.3221 3.3221 3.3221 3.3221 4.0269 4.0269 4.0269 4.0269 k = 0.4872 0.5000 0.4872 ( 6864 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6402 -9.6402 -9.6266 -9.6266 -9.6265 -9.6265 -9.6264 -9.6264 -9.3059 -9.3059 -9.3058 -9.3058 -9.3057 -9.3057 -9.2916 -9.2916 -6.9921 -6.9921 -6.9919 -6.9919 -6.9915 -6.9915 -6.9914 -6.9914 -5.3141 -5.3141 -5.3140 -5.3140 -5.3137 -5.3137 -5.3130 -5.3130 -0.7230 -0.7230 -0.7190 -0.7190 -0.7187 -0.7187 -0.7184 -0.7184 -0.7057 -0.7057 -0.7055 -0.7055 -0.7051 -0.7051 -0.7008 -0.7008 3.3077 3.3077 3.3223 3.3223 3.3225 3.3225 3.3227 3.3227 4.0261 4.0262 4.0265 4.0268 k = 0.4744 0.5000 0.4744 ( 6840 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4428 -28.4428 -28.4428 -28.4428 -21.1364 -21.1364 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6398 -9.6398 -9.6264 -9.6264 -9.6261 -9.6261 -9.6257 -9.6257 -9.3068 -9.3068 -9.3064 -9.3064 -9.3059 -9.3059 -9.2921 -9.2921 -6.9925 -6.9925 -6.9923 -6.9923 -6.9902 -6.9902 -6.9900 -6.9900 -5.3151 -5.3151 -5.3147 -5.3147 -5.3135 -5.3135 -5.3129 -5.3129 -0.7234 -0.7234 -0.7200 -0.7200 -0.7185 -0.7185 -0.7177 -0.7177 -0.7066 -0.7066 -0.7058 -0.7058 -0.7043 -0.7043 -0.7006 -0.7006 3.3089 3.3089 3.3230 3.3230 3.3238 3.3238 3.3245 3.3245 4.0234 4.0234 4.0248 4.0248 k = 0.4615 0.5000 0.4615 ( 6840 PWs) bands (ev): -28.4430 -28.4430 -28.4430 -28.4430 -28.4427 -28.4427 -28.4427 -28.4427 -21.1364 -21.1364 -21.1364 -21.1364 -21.1362 -21.1362 -21.1362 -21.1362 -9.6392 -9.6392 -9.6262 -9.6262 -9.6253 -9.6253 -9.6245 -9.6245 -9.3083 -9.3083 -9.3074 -9.3074 -9.3063 -9.3063 -9.2930 -9.2930 -6.9931 -6.9931 -6.9930 -6.9930 -6.9880 -6.9880 -6.9878 -6.9878 -5.3166 -5.3166 -5.3162 -5.3162 -5.3131 -5.3131 -5.3126 -5.3126 -0.7249 -0.7249 -0.7221 -0.7221 -0.7177 -0.7177 -0.7166 -0.7166 -0.7078 -0.7078 -0.7066 -0.7066 -0.7028 -0.7028 -0.6998 -0.6998 3.3107 3.3107 3.3240 3.3240 3.3259 3.3259 3.3274 3.3274 4.0190 4.0190 4.0217 4.0217 k = 0.4487 0.5000 0.4487 ( 6836 PWs) bands (ev): -28.4431 -28.4431 -28.4431 -28.4431 -28.4426 -28.4426 -28.4426 -28.4426 -21.1364 -21.1364 -21.1364 -21.1364 -21.1362 -21.1362 -21.1362 -21.1362 -9.6384 -9.6384 -9.6259 -9.6259 -9.6243 -9.6243 -9.6229 -9.6229 -9.3104 -9.3104 -9.3088 -9.3088 -9.3069 -9.3069 -9.2942 -9.2942 -6.9940 -6.9940 -6.9939 -6.9939 -6.9849 -6.9849 -6.9848 -6.9848 -5.3187 -5.3187 -5.3183 -5.3183 -5.3125 -5.3125 -5.3120 -5.3120 -0.7277 -0.7277 -0.7254 -0.7254 -0.7164 -0.7164 -0.7155 -0.7155 -0.7088 -0.7088 -0.7078 -0.7078 -0.7005 -0.7005 -0.6980 -0.6980 3.3130 3.3130 3.3254 3.3254 3.3291 3.3291 3.3315 3.3315 4.0129 4.0129 4.0167 4.0167 k = 0.4359 0.5000 0.4359 ( 6858 PWs) bands (ev): -28.4433 -28.4433 -28.4433 -28.4433 -28.4424 -28.4424 -28.4424 -28.4424 -21.1365 -21.1365 -21.1365 -21.1365 -21.1361 -21.1361 -21.1361 -21.1361 -9.6374 -9.6374 -9.6256 -9.6256 -9.6228 -9.6228 -9.6208 -9.6208 -9.3131 -9.3131 -9.3108 -9.3108 -9.3076 -9.3076 -9.2956 -9.2956 -6.9952 -6.9952 -6.9951 -6.9951 -6.9811 -6.9811 -6.9809 -6.9809 -5.3214 -5.3214 -5.3210 -5.3210 -5.3117 -5.3117 -5.3113 -5.3113 -0.7321 -0.7321 -0.7302 -0.7302 -0.7150 -0.7150 -0.7146 -0.7146 -0.7093 -0.7093 -0.7088 -0.7088 -0.6973 -0.6973 -0.6953 -0.6953 3.3157 3.3157 3.3272 3.3272 3.3334 3.3334 3.3367 3.3367 4.0052 4.0052 4.0099 4.0099 k = 0.4231 0.5000 0.4231 ( 6870 PWs) bands (ev): -28.4434 -28.4434 -28.4434 -28.4434 -28.4423 -28.4423 -28.4423 -28.4423 -21.1366 -21.1366 -21.1366 -21.1366 -21.1360 -21.1360 -21.1360 -21.1360 -9.6363 -9.6363 -9.6251 -9.6251 -9.6210 -9.6210 -9.6183 -9.6183 -9.3162 -9.3162 -9.3133 -9.3133 -9.3085 -9.3085 -9.2971 -9.2971 -6.9967 -6.9967 -6.9965 -6.9965 -6.9764 -6.9764 -6.9763 -6.9763 -5.3247 -5.3247 -5.3242 -5.3242 -5.3108 -5.3108 -5.3103 -5.3103 -0.7379 -0.7379 -0.7365 -0.7365 -0.7145 -0.7145 -0.7141 -0.7141 -0.7091 -0.7091 -0.7089 -0.7089 -0.6931 -0.6931 -0.6915 -0.6915 3.3187 3.3187 3.3294 3.3294 3.3389 3.3389 3.3430 3.3430 3.9960 3.9960 4.0012 4.0012 k = 0.4103 0.5000 0.4103 ( 6874 PWs) bands (ev): -28.4437 -28.4437 -28.4437 -28.4437 -28.4421 -28.4421 -28.4421 -28.4421 -21.1367 -21.1367 -21.1366 -21.1366 -21.1359 -21.1359 -21.1359 -21.1359 -9.6352 -9.6352 -9.6246 -9.6246 -9.6186 -9.6186 -9.6153 -9.6153 -9.3199 -9.3199 -9.3164 -9.3164 -9.3096 -9.3096 -9.2988 -9.2988 -6.9984 -6.9984 -6.9983 -6.9983 -6.9711 -6.9711 -6.9710 -6.9710 -5.3284 -5.3284 -5.3279 -5.3279 -5.3097 -5.3097 -5.3092 -5.3092 -0.7451 -0.7451 -0.7440 -0.7440 -0.7149 -0.7149 -0.7143 -0.7143 -0.7082 -0.7082 -0.7079 -0.7079 -0.6878 -0.6878 -0.6867 -0.6867 3.3219 3.3219 3.3320 3.3320 3.3457 3.3457 3.3504 3.3504 3.9854 3.9854 3.9910 3.9910 k = 0.3974 0.5000 0.3974 ( 6870 PWs) bands (ev): -28.4439 -28.4439 -28.4439 -28.4439 -28.4418 -28.4418 -28.4418 -28.4418 -21.1367 -21.1367 -21.1367 -21.1367 -21.1358 -21.1358 -21.1357 -21.1357 -9.6341 -9.6341 -9.6239 -9.6239 -9.6158 -9.6158 -9.6120 -9.6120 -9.3241 -9.3241 -9.3200 -9.3200 -9.3107 -9.3107 -9.3004 -9.3004 -7.0003 -7.0003 -7.0003 -7.0003 -6.9651 -6.9651 -6.9649 -6.9649 -5.3326 -5.3326 -5.3321 -5.3321 -5.3084 -5.3084 -5.3079 -5.3079 -0.7536 -0.7536 -0.7528 -0.7528 -0.7157 -0.7157 -0.7151 -0.7151 -0.7067 -0.7067 -0.7065 -0.7065 -0.6816 -0.6816 -0.6808 -0.6808 3.3252 3.3252 3.3349 3.3349 3.3536 3.3536 3.3588 3.3588 3.9736 3.9736 3.9793 3.9793 k = 0.3846 0.5000 0.3846 ( 6874 PWs) bands (ev): -28.4442 -28.4442 -28.4442 -28.4442 -28.4416 -28.4416 -28.4416 -28.4416 -21.1369 -21.1369 -21.1368 -21.1368 -21.1356 -21.1356 -21.1356 -21.1356 -9.6329 -9.6329 -9.6232 -9.6232 -9.6125 -9.6125 -9.6082 -9.6082 -9.3287 -9.3287 -9.3242 -9.3242 -9.3121 -9.3121 -9.3022 -9.3022 -7.0026 -7.0026 -7.0025 -7.0025 -6.9584 -6.9584 -6.9583 -6.9583 -5.3372 -5.3372 -5.3367 -5.3367 -5.3069 -5.3069 -5.3065 -5.3065 -0.7632 -0.7632 -0.7626 -0.7626 -0.7167 -0.7167 -0.7162 -0.7162 -0.7050 -0.7050 -0.7050 -0.7050 -0.6746 -0.6746 -0.6741 -0.6741 3.3288 3.3288 3.3382 3.3382 3.3626 3.3626 3.3681 3.3681 3.9606 3.9606 3.9665 3.9665 k = 0.3718 0.5000 0.3718 ( 6876 PWs) bands (ev): -28.4445 -28.4445 -28.4445 -28.4445 -28.4413 -28.4413 -28.4413 -28.4413 -21.1370 -21.1370 -21.1370 -21.1370 -21.1355 -21.1355 -21.1354 -21.1354 -9.6318 -9.6318 -9.6223 -9.6223 -9.6087 -9.6087 -9.6041 -9.6041 -9.3337 -9.3337 -9.3289 -9.3289 -9.3136 -9.3136 -9.3040 -9.3040 -7.0051 -7.0051 -7.0051 -7.0051 -6.9512 -6.9512 -6.9511 -6.9511 -5.3421 -5.3421 -5.3417 -5.3417 -5.3053 -5.3053 -5.3048 -5.3048 -0.7739 -0.7739 -0.7733 -0.7733 -0.7179 -0.7179 -0.7174 -0.7174 -0.7035 -0.7035 -0.7033 -0.7033 -0.6667 -0.6667 -0.6665 -0.6665 3.3326 3.3326 3.3418 3.3418 3.3727 3.3727 3.3783 3.3783 3.9467 3.9467 3.9526 3.9526 k = 0.3590 0.5000 0.3590 ( 6876 PWs) bands (ev): -28.4448 -28.4448 -28.4448 -28.4448 -28.4410 -28.4410 -28.4410 -28.4410 -21.1371 -21.1371 -21.1371 -21.1371 -21.1353 -21.1353 -21.1353 -21.1353 -9.6306 -9.6306 -9.6214 -9.6214 -9.6045 -9.6045 -9.5997 -9.5997 -9.3391 -9.3391 -9.3340 -9.3340 -9.3152 -9.3152 -9.3058 -9.3058 -7.0079 -7.0079 -7.0079 -7.0079 -6.9436 -6.9436 -6.9435 -6.9435 -5.3474 -5.3474 -5.3470 -5.3470 -5.3035 -5.3035 -5.3030 -5.3030 -0.7854 -0.7854 -0.7850 -0.7850 -0.7191 -0.7191 -0.7188 -0.7188 -0.7019 -0.7019 -0.7016 -0.7016 -0.6582 -0.6582 -0.6581 -0.6581 3.3367 3.3367 3.3456 3.3456 3.3836 3.3836 3.3894 3.3894 3.9320 3.9320 3.9379 3.9379 k = 0.3462 0.5000 0.3462 ( 6868 PWs) bands (ev): -28.4451 -28.4451 -28.4451 -28.4451 -28.4407 -28.4407 -28.4406 -28.4406 -21.1372 -21.1372 -21.1372 -21.1372 -21.1351 -21.1351 -21.1351 -21.1351 -9.6294 -9.6294 -9.6203 -9.6203 -9.5999 -9.5999 -9.5949 -9.5949 -9.3447 -9.3447 -9.3394 -9.3394 -9.3170 -9.3170 -9.3077 -9.3077 -7.0110 -7.0110 -7.0110 -7.0110 -6.9355 -6.9355 -6.9354 -6.9354 -5.3529 -5.3529 -5.3525 -5.3525 -5.3014 -5.3014 -5.3009 -5.3009 -0.7977 -0.7977 -0.7974 -0.7974 -0.7204 -0.7204 -0.7202 -0.7202 -0.7003 -0.7003 -0.6999 -0.6999 -0.6490 -0.6490 -0.6490 -0.6490 3.3409 3.3409 3.3498 3.3498 3.3953 3.3953 3.4012 3.4012 3.9166 3.9166 3.9226 3.9226 k = 0.3333 0.5000 0.3333 ( 6860 PWs) bands (ev): -28.4455 -28.4455 -28.4455 -28.4455 -28.4403 -28.4403 -28.4403 -28.4403 -21.1374 -21.1374 -21.1374 -21.1374 -21.1349 -21.1349 -21.1349 -21.1349 -9.6281 -9.6281 -9.6192 -9.6192 -9.5950 -9.5950 -9.5898 -9.5898 -9.3507 -9.3507 -9.3452 -9.3452 -9.3189 -9.3189 -9.3097 -9.3097 -7.0143 -7.0143 -7.0143 -7.0143 -6.9271 -6.9271 -6.9270 -6.9270 -5.3587 -5.3587 -5.3582 -5.3582 -5.2992 -5.2992 -5.2987 -5.2987 -0.8107 -0.8107 -0.8105 -0.8105 -0.7219 -0.7219 -0.7217 -0.7217 -0.6988 -0.6988 -0.6983 -0.6983 -0.6393 -0.6393 -0.6392 -0.6392 3.3453 3.3453 3.3542 3.3542 3.4078 3.4078 3.4137 3.4137 3.9008 3.9008 3.9067 3.9067 k = 0.3205 0.5000 0.3205 ( 6878 PWs) bands (ev): -28.4459 -28.4459 -28.4459 -28.4459 -28.4399 -28.4399 -28.4399 -28.4399 -21.1375 -21.1375 -21.1375 -21.1375 -21.1347 -21.1347 -21.1347 -21.1347 -9.6268 -9.6268 -9.6179 -9.6179 -9.5898 -9.5898 -9.5845 -9.5845 -9.3568 -9.3568 -9.3513 -9.3513 -9.3209 -9.3209 -9.3118 -9.3118 -7.0179 -7.0179 -7.0179 -7.0179 -6.9184 -6.9184 -6.9184 -6.9184 -5.3646 -5.3646 -5.3641 -5.3641 -5.2968 -5.2968 -5.2963 -5.2963 -0.8243 -0.8243 -0.8241 -0.8241 -0.7234 -0.7234 -0.7233 -0.7233 -0.6973 -0.6973 -0.6968 -0.6968 -0.6291 -0.6291 -0.6289 -0.6289 3.3500 3.3500 3.3588 3.3588 3.4209 3.4209 3.4267 3.4267 3.8847 3.8847 3.8905 3.8905 k = 0.3077 0.5000 0.3077 ( 6882 PWs) bands (ev): -28.4462 -28.4462 -28.4462 -28.4462 -28.4396 -28.4396 -28.4396 -28.4396 -21.1377 -21.1377 -21.1377 -21.1377 -21.1345 -21.1345 -21.1345 -21.1345 -9.6254 -9.6254 -9.6165 -9.6165 -9.5842 -9.5842 -9.5790 -9.5790 -9.3631 -9.3631 -9.3576 -9.3576 -9.3230 -9.3230 -9.3139 -9.3139 -7.0218 -7.0218 -7.0218 -7.0218 -6.9096 -6.9096 -6.9096 -6.9096 -5.3706 -5.3706 -5.3701 -5.3701 -5.2942 -5.2942 -5.2937 -5.2937 -0.8384 -0.8384 -0.8383 -0.8383 -0.7251 -0.7251 -0.7250 -0.7250 -0.6959 -0.6959 -0.6954 -0.6954 -0.6184 -0.6184 -0.6181 -0.6181 3.3547 3.3547 3.3635 3.3635 3.4345 3.4345 3.4402 3.4402 3.8685 3.8685 3.8741 3.8741 k = 0.2949 0.5000 0.2949 ( 6870 PWs) bands (ev): -28.4466 -28.4466 -28.4466 -28.4466 -28.4392 -28.4392 -28.4392 -28.4392 -21.1378 -21.1378 -21.1378 -21.1378 -21.1343 -21.1343 -21.1343 -21.1343 -9.6239 -9.6239 -9.6150 -9.6150 -9.5785 -9.5785 -9.5733 -9.5733 -9.3695 -9.3695 -9.3640 -9.3640 -9.3253 -9.3253 -9.3161 -9.3161 -7.0259 -7.0259 -7.0259 -7.0259 -6.9006 -6.9006 -6.9006 -6.9006 -5.3766 -5.3766 -5.3762 -5.3762 -5.2914 -5.2914 -5.2909 -5.2909 -0.8529 -0.8529 -0.8528 -0.8528 -0.7268 -0.7268 -0.7267 -0.7267 -0.6947 -0.6947 -0.6941 -0.6941 -0.6073 -0.6073 -0.6070 -0.6070 3.3596 3.3596 3.3685 3.3685 3.4486 3.4486 3.4540 3.4540 3.8525 3.8525 3.8579 3.8579 k = 0.2821 0.5000 0.2821 ( 6856 PWs) bands (ev): -28.4471 -28.4471 -28.4470 -28.4470 -28.4388 -28.4388 -28.4388 -28.4388 -21.1380 -21.1380 -21.1380 -21.1380 -21.1341 -21.1341 -21.1340 -21.1340 -9.6223 -9.6223 -9.6134 -9.6134 -9.5726 -9.5726 -9.5674 -9.5674 -9.3759 -9.3759 -9.3706 -9.3706 -9.3276 -9.3276 -9.3185 -9.3185 -7.0302 -7.0302 -7.0302 -7.0302 -6.8916 -6.8916 -6.8916 -6.8916 -5.3826 -5.3826 -5.3822 -5.3822 -5.2885 -5.2885 -5.2880 -5.2880 -0.8677 -0.8677 -0.8676 -0.8676 -0.7287 -0.7287 -0.7286 -0.7286 -0.6935 -0.6935 -0.6929 -0.6929 -0.5959 -0.5959 -0.5956 -0.5956 3.3646 3.3646 3.3735 3.3735 3.4629 3.4629 3.4681 3.4681 3.8367 3.8367 3.8419 3.8419 k = 0.2692 0.5000 0.2692 ( 6874 PWs) bands (ev): -28.4475 -28.4475 -28.4475 -28.4475 -28.4384 -28.4384 -28.4384 -28.4384 -21.1382 -21.1382 -21.1382 -21.1382 -21.1338 -21.1338 -21.1338 -21.1338 -9.6206 -9.6206 -9.6116 -9.6116 -9.5666 -9.5666 -9.5616 -9.5616 -9.3823 -9.3823 -9.3771 -9.3771 -9.3301 -9.3301 -9.3209 -9.3209 -7.0348 -7.0348 -7.0347 -7.0347 -6.8827 -6.8827 -6.8827 -6.8827 -5.3886 -5.3886 -5.3882 -5.3882 -5.2854 -5.2854 -5.2849 -5.2849 -0.8826 -0.8826 -0.8825 -0.8825 -0.7306 -0.7306 -0.7305 -0.7305 -0.6925 -0.6925 -0.6919 -0.6919 -0.5842 -0.5842 -0.5839 -0.5839 3.3696 3.3696 3.3785 3.3785 3.4773 3.4773 3.4821 3.4821 3.8215 3.8215 3.8263 3.8263 k = 0.2564 0.5000 0.2564 ( 6886 PWs) bands (ev): -28.4479 -28.4479 -28.4479 -28.4479 -28.4380 -28.4380 -28.4380 -28.4380 -21.1384 -21.1384 -21.1383 -21.1383 -21.1336 -21.1336 -21.1336 -21.1336 -9.6188 -9.6188 -9.6098 -9.6098 -9.5604 -9.5604 -9.5557 -9.5557 -9.3885 -9.3885 -9.3837 -9.3837 -9.3327 -9.3327 -9.3233 -9.3233 -7.0395 -7.0395 -7.0395 -7.0395 -6.8738 -6.8738 -6.8738 -6.8738 -5.3945 -5.3945 -5.3941 -5.3941 -5.2821 -5.2821 -5.2816 -5.2816 -0.8976 -0.8976 -0.8976 -0.8976 -0.7326 -0.7326 -0.7326 -0.7326 -0.6916 -0.6916 -0.6910 -0.6910 -0.5724 -0.5724 -0.5721 -0.5721 3.3746 3.3746 3.3836 3.3836 3.4916 3.4916 3.4960 3.4960 3.8070 3.8070 3.8113 3.8113 k = 0.2436 0.5000 0.2436 ( 6886 PWs) bands (ev): -28.4483 -28.4483 -28.4483 -28.4483 -28.4376 -28.4376 -28.4376 -28.4376 -21.1385 -21.1385 -21.1385 -21.1385 -21.1334 -21.1334 -21.1334 -21.1334 -9.6169 -9.6169 -9.6078 -9.6078 -9.5543 -9.5543 -9.5499 -9.5499 -9.3946 -9.3946 -9.3901 -9.3901 -9.3353 -9.3353 -9.3259 -9.3259 -7.0444 -7.0444 -7.0443 -7.0443 -6.8651 -6.8651 -6.8651 -6.8651 -5.4002 -5.4002 -5.3998 -5.3998 -5.2787 -5.2787 -5.2782 -5.2782 -0.9126 -0.9126 -0.9126 -0.9126 -0.7347 -0.7347 -0.7346 -0.7346 -0.6909 -0.6909 -0.6903 -0.6903 -0.5606 -0.5606 -0.5603 -0.5603 3.3796 3.3796 3.3886 3.3886 3.5057 3.5057 3.5095 3.5095 3.7935 3.7935 3.7973 3.7973 k = 0.2308 0.5000 0.2308 ( 6870 PWs) bands (ev): -28.4487 -28.4487 -28.4487 -28.4487 -28.4371 -28.4371 -28.4371 -28.4371 -21.1387 -21.1387 -21.1387 -21.1387 -21.1332 -21.1332 -21.1332 -21.1332 -9.6148 -9.6148 -9.6057 -9.6057 -9.5483 -9.5483 -9.5442 -9.5442 -9.4004 -9.4004 -9.3964 -9.3964 -9.3381 -9.3381 -9.3285 -9.3285 -7.0494 -7.0494 -7.0494 -7.0494 -6.8566 -6.8566 -6.8566 -6.8566 -5.4058 -5.4058 -5.4054 -5.4054 -5.2752 -5.2752 -5.2747 -5.2747 -0.9275 -0.9275 -0.9275 -0.9275 -0.7368 -0.7368 -0.7368 -0.7368 -0.6903 -0.6903 -0.6897 -0.6897 -0.5487 -0.5487 -0.5484 -0.5484 3.3845 3.3845 3.3936 3.3936 3.5193 3.5193 3.5224 3.5224 3.7813 3.7813 3.7845 3.7845 k = 0.2179 0.5000 0.2179 ( 6868 PWs) bands (ev): -28.4492 -28.4492 -28.4492 -28.4492 -28.4367 -28.4367 -28.4367 -28.4367 -21.1389 -21.1389 -21.1389 -21.1389 -21.1329 -21.1329 -21.1329 -21.1329 -9.6127 -9.6127 -9.6034 -9.6034 -9.5423 -9.5423 -9.5389 -9.5389 -9.4058 -9.4058 -9.4025 -9.4025 -9.3409 -9.3409 -9.3312 -9.3312 -7.0545 -7.0545 -7.0545 -7.0545 -6.8483 -6.8483 -6.8483 -6.8483 -5.4111 -5.4111 -5.4108 -5.4108 -5.2716 -5.2716 -5.2711 -5.2711 -0.9422 -0.9422 -0.9422 -0.9422 -0.7390 -0.7390 -0.7390 -0.7390 -0.6899 -0.6899 -0.6893 -0.6893 -0.5369 -0.5369 -0.5366 -0.5366 3.3892 3.3892 3.3984 3.3984 3.5321 3.5321 3.5343 3.5343 3.7708 3.7708 3.7730 3.7730 k = 0.2051 0.5000 0.2051 ( 6872 PWs) bands (ev): -28.4496 -28.4496 -28.4496 -28.4496 -28.4363 -28.4363 -28.4363 -28.4363 -21.1390 -21.1390 -21.1390 -21.1390 -21.1327 -21.1327 -21.1327 -21.1327 -9.6105 -9.6105 -9.6011 -9.6011 -9.5367 -9.5367 -9.5339 -9.5339 -9.4108 -9.4108 -9.4082 -9.4082 -9.3438 -9.3438 -9.3339 -9.3339 -7.0597 -7.0597 -7.0597 -7.0597 -6.8404 -6.8404 -6.8404 -6.8404 -5.4163 -5.4163 -5.4159 -5.4159 -5.2679 -5.2679 -5.2675 -5.2675 -0.9565 -0.9565 -0.9565 -0.9565 -0.7412 -0.7412 -0.7412 -0.7412 -0.6896 -0.6896 -0.6890 -0.6890 -0.5252 -0.5252 -0.5249 -0.5249 3.3938 3.3938 3.4030 3.4030 3.5438 3.5438 3.5450 3.5450 3.7622 3.7622 3.7634 3.7634 k = 0.1923 0.5000 0.1923 ( 6878 PWs) bands (ev): -28.4500 -28.4500 -28.4500 -28.4500 -28.4359 -28.4359 -28.4359 -28.4359 -21.1392 -21.1392 -21.1392 -21.1392 -21.1325 -21.1325 -21.1325 -21.1325 -9.6081 -9.6081 -9.5986 -9.5986 -9.5313 -9.5313 -9.5295 -9.5295 -9.4151 -9.4151 -9.4135 -9.4135 -9.3468 -9.3468 -9.3368 -9.3368 -7.0649 -7.0649 -7.0649 -7.0649 -6.8328 -6.8328 -6.8328 -6.8328 -5.4211 -5.4211 -5.4208 -5.4208 -5.2642 -5.2642 -5.2638 -5.2638 -0.9705 -0.9705 -0.9705 -0.9705 -0.7434 -0.7434 -0.7434 -0.7434 -0.6894 -0.6894 -0.6889 -0.6889 -0.5138 -0.5138 -0.5135 -0.5135 3.3981 3.3981 3.4073 3.4073 3.5540 3.5540 3.5541 3.5541 3.7557 3.7557 3.7558 3.7558 k = 0.1795 0.5000 0.1795 ( 6870 PWs) bands (ev): -28.4504 -28.4504 -28.4503 -28.4503 -28.4356 -28.4356 -28.4356 -28.4356 -21.1394 -21.1394 -21.1394 -21.1394 -21.1323 -21.1323 -21.1323 -21.1323 -9.6056 -9.6056 -9.5961 -9.5961 -9.5265 -9.5265 -9.5257 -9.5257 -9.4187 -9.4187 -9.4183 -9.4183 -9.3498 -9.3498 -9.3396 -9.3396 -7.0701 -7.0701 -7.0700 -7.0700 -6.8256 -6.8256 -6.8255 -6.8255 -5.4257 -5.4257 -5.4254 -5.4254 -5.2605 -5.2605 -5.2601 -5.2601 -0.9840 -0.9840 -0.9840 -0.9840 -0.7457 -0.7457 -0.7457 -0.7457 -0.6894 -0.6894 -0.6889 -0.6889 -0.5027 -0.5027 -0.5024 -0.5024 3.4022 3.4022 3.4113 3.4113 3.5611 3.5611 3.5625 3.5625 3.7505 3.7505 3.7519 3.7519 k = 0.1667 0.5000 0.1667 ( 6882 PWs) bands (ev): -28.4507 -28.4507 -28.4507 -28.4507 -28.4352 -28.4352 -28.4352 -28.4352 -21.1395 -21.1395 -21.1395 -21.1395 -21.1321 -21.1321 -21.1321 -21.1321 -9.6030 -9.6030 -9.5934 -9.5934 -9.5228 -9.5228 -9.5222 -9.5222 -9.4223 -9.4223 -9.4214 -9.4214 -9.3529 -9.3529 -9.3426 -9.3426 -7.0753 -7.0753 -7.0752 -7.0752 -6.8187 -6.8187 -6.8187 -6.8187 -5.4300 -5.4300 -5.4297 -5.4297 -5.2568 -5.2568 -5.2564 -5.2564 -0.9969 -0.9969 -0.9969 -0.9969 -0.7479 -0.7479 -0.7479 -0.7479 -0.6894 -0.6894 -0.6890 -0.6890 -0.4920 -0.4920 -0.4917 -0.4917 3.4059 3.4059 3.4149 3.4149 3.5662 3.5662 3.5690 3.5690 3.7477 3.7477 3.7505 3.7505 k = 0.1538 0.5000 0.1538 ( 6866 PWs) bands (ev): -28.4511 -28.4511 -28.4511 -28.4511 -28.4348 -28.4348 -28.4348 -28.4348 -21.1397 -21.1397 -21.1397 -21.1397 -21.1319 -21.1319 -21.1319 -21.1319 -9.6003 -9.6003 -9.5906 -9.5906 -9.5207 -9.5207 -9.5187 -9.5187 -9.4256 -9.4256 -9.4231 -9.4231 -9.3560 -9.3560 -9.3455 -9.3455 -7.0803 -7.0803 -7.0802 -7.0802 -6.8124 -6.8124 -6.8123 -6.8123 -5.4340 -5.4340 -5.4337 -5.4337 -5.2531 -5.2531 -5.2528 -5.2528 -1.0092 -1.0092 -1.0092 -1.0092 -0.7501 -0.7501 -0.7501 -0.7501 -0.6895 -0.6895 -0.6891 -0.6891 -0.4817 -0.4817 -0.4814 -0.4814 3.4093 3.4093 3.4182 3.4182 3.5694 3.5694 3.5735 3.5735 3.7475 3.7475 3.7516 3.7516 k = 0.1410 0.5000 0.1410 ( 6866 PWs) bands (ev): -28.4514 -28.4514 -28.4514 -28.4514 -28.4345 -28.4345 -28.4345 -28.4345 -21.1398 -21.1398 -21.1398 -21.1398 -21.1318 -21.1318 -21.1317 -21.1317 -9.5975 -9.5975 -9.5878 -9.5878 -9.5197 -9.5197 -9.5162 -9.5162 -9.4279 -9.4279 -9.4237 -9.4237 -9.3592 -9.3592 -9.3486 -9.3486 -7.0851 -7.0851 -7.0850 -7.0850 -6.8064 -6.8064 -6.8064 -6.8064 -5.4377 -5.4377 -5.4374 -5.4374 -5.2496 -5.2496 -5.2492 -5.2492 -1.0208 -1.0208 -1.0208 -1.0208 -0.7523 -0.7523 -0.7523 -0.7523 -0.6897 -0.6897 -0.6893 -0.6893 -0.4719 -0.4719 -0.4717 -0.4717 3.4123 3.4123 3.4209 3.4209 3.5710 3.5710 3.5760 3.5760 3.7496 3.7496 3.7548 3.7548 k = 0.1282 0.5000 0.1282 ( 6862 PWs) bands (ev): -28.4517 -28.4517 -28.4517 -28.4517 -28.4342 -28.4342 -28.4342 -28.4342 -21.1399 -21.1399 -21.1399 -21.1399 -21.1316 -21.1316 -21.1316 -21.1316 -9.5947 -9.5947 -9.5848 -9.5848 -9.5196 -9.5196 -9.5146 -9.5146 -9.4291 -9.4291 -9.4234 -9.4234 -9.3625 -9.3625 -9.3516 -9.3516 -7.0897 -7.0897 -7.0896 -7.0896 -6.8010 -6.8010 -6.8010 -6.8010 -5.4411 -5.4411 -5.4408 -5.4408 -5.2462 -5.2462 -5.2459 -5.2459 -1.0316 -1.0316 -1.0316 -1.0316 -0.7543 -0.7543 -0.7543 -0.7543 -0.6900 -0.6900 -0.6896 -0.6896 -0.4628 -0.4628 -0.4626 -0.4626 3.4149 3.4149 3.4231 3.4231 3.5712 3.5712 3.5769 3.5769 3.7537 3.7537 3.7596 3.7596 k = 0.1154 0.5000 0.1154 ( 6866 PWs) bands (ev): -28.4520 -28.4520 -28.4520 -28.4520 -28.4339 -28.4339 -28.4339 -28.4339 -21.1401 -21.1401 -21.1401 -21.1401 -21.1314 -21.1314 -21.1314 -21.1314 -9.5917 -9.5917 -9.5819 -9.5819 -9.5204 -9.5204 -9.5141 -9.5141 -9.4293 -9.4293 -9.4221 -9.4221 -9.3658 -9.3658 -9.3548 -9.3548 -7.0941 -7.0941 -7.0940 -7.0940 -6.7960 -6.7960 -6.7960 -6.7960 -5.4441 -5.4441 -5.4439 -5.4439 -5.2430 -5.2430 -5.2427 -5.2427 -1.0416 -1.0416 -1.0416 -1.0416 -0.7563 -0.7563 -0.7563 -0.7563 -0.6902 -0.6902 -0.6899 -0.6899 -0.4543 -0.4543 -0.4541 -0.4541 3.4171 3.4171 3.4249 3.4249 3.5706 3.5706 3.5766 3.5766 3.7590 3.7590 3.7654 3.7654 k = 0.1026 0.5000 0.1026 ( 6862 PWs) bands (ev): -28.4523 -28.4523 -28.4523 -28.4523 -28.4337 -28.4337 -28.4337 -28.4337 -21.1402 -21.1402 -21.1402 -21.1402 -21.1313 -21.1313 -21.1313 -21.1313 -9.5886 -9.5886 -9.5789 -9.5789 -9.5219 -9.5219 -9.5146 -9.5146 -9.4285 -9.4285 -9.4200 -9.4200 -9.3690 -9.3690 -9.3580 -9.3580 -7.0982 -7.0982 -7.0981 -7.0981 -6.7916 -6.7916 -6.7916 -6.7916 -5.4468 -5.4468 -5.4466 -5.4466 -5.2399 -5.2399 -5.2397 -5.2397 -1.0507 -1.0507 -1.0507 -1.0507 -0.7582 -0.7582 -0.7582 -0.7582 -0.6905 -0.6905 -0.6902 -0.6902 -0.4465 -0.4465 -0.4464 -0.4464 3.4189 3.4189 3.4261 3.4261 3.5696 3.5696 3.5755 3.5755 3.7652 3.7652 3.7717 3.7717 k = 0.0897 0.5000 0.0897 ( 6862 PWs) bands (ev): -28.4525 -28.4525 -28.4525 -28.4525 -28.4334 -28.4334 -28.4334 -28.4334 -21.1403 -21.1403 -21.1403 -21.1403 -21.1312 -21.1312 -21.1312 -21.1312 -9.5855 -9.5855 -9.5759 -9.5759 -9.5240 -9.5240 -9.5160 -9.5160 -9.4267 -9.4267 -9.4174 -9.4174 -9.3723 -9.3723 -9.3612 -9.3612 -7.1019 -7.1019 -7.1018 -7.1018 -6.7876 -6.7876 -6.7876 -6.7876 -5.4492 -5.4492 -5.4490 -5.4490 -5.2372 -5.2372 -5.2369 -5.2369 -1.0589 -1.0589 -1.0588 -1.0588 -0.7599 -0.7599 -0.7599 -0.7599 -0.6908 -0.6908 -0.6906 -0.6906 -0.4396 -0.4396 -0.4394 -0.4394 3.4204 3.4204 3.4269 3.4269 3.5684 3.5684 3.5741 3.5741 3.7718 3.7718 3.7781 3.7781 k = 0.0769 0.5000 0.0769 ( 6870 PWs) bands (ev): -28.4527 -28.4527 -28.4527 -28.4527 -28.4332 -28.4332 -28.4332 -28.4332 -21.1404 -21.1404 -21.1404 -21.1404 -21.1311 -21.1311 -21.1311 -21.1311 -9.5824 -9.5824 -9.5731 -9.5731 -9.5263 -9.5263 -9.5180 -9.5180 -9.4243 -9.4243 -9.4144 -9.4144 -9.3756 -9.3756 -9.3645 -9.3645 -7.1052 -7.1052 -7.1051 -7.1051 -6.7842 -6.7842 -6.7842 -6.7842 -5.4513 -5.4513 -5.4511 -5.4511 -5.2347 -5.2347 -5.2345 -5.2345 -1.0660 -1.0660 -1.0660 -1.0660 -0.7614 -0.7614 -0.7614 -0.7614 -0.6911 -0.6911 -0.6909 -0.6909 -0.4334 -0.4334 -0.4333 -0.4333 3.4215 3.4215 3.4273 3.4273 3.5672 3.5672 3.5724 3.5724 3.7782 3.7782 3.7842 3.7842 k = 0.0641 0.5000 0.0641 ( 6870 PWs) bands (ev): -28.4529 -28.4529 -28.4529 -28.4529 -28.4331 -28.4331 -28.4331 -28.4331 -21.1404 -21.1404 -21.1404 -21.1404 -21.1310 -21.1310 -21.1310 -21.1310 -9.5792 -9.5792 -9.5704 -9.5704 -9.5287 -9.5287 -9.5204 -9.5204 -9.4215 -9.4215 -9.4113 -9.4113 -9.3787 -9.3787 -9.3679 -9.3679 -7.1081 -7.1081 -7.1080 -7.1080 -6.7813 -6.7813 -6.7813 -6.7813 -5.4530 -5.4530 -5.4529 -5.4529 -5.2326 -5.2326 -5.2324 -5.2324 -1.0721 -1.0721 -1.0721 -1.0721 -0.7627 -0.7627 -0.7627 -0.7627 -0.6914 -0.6914 -0.6912 -0.6912 -0.4281 -0.4281 -0.4280 -0.4280 3.4224 3.4224 3.4273 3.4273 3.5662 3.5662 3.5708 3.5708 3.7843 3.7843 3.7896 3.7896 k = 0.0513 0.5000 0.0513 ( 6880 PWs) bands (ev): -28.4531 -28.4531 -28.4531 -28.4531 -28.4329 -28.4329 -28.4329 -28.4329 -21.1405 -21.1405 -21.1405 -21.1405 -21.1309 -21.1309 -21.1309 -21.1309 -9.5761 -9.5761 -9.5680 -9.5680 -9.5310 -9.5310 -9.5232 -9.5232 -9.4182 -9.4182 -9.4082 -9.4082 -9.3817 -9.3817 -9.3712 -9.3712 -7.1105 -7.1105 -7.1104 -7.1104 -6.7789 -6.7789 -6.7789 -6.7789 -5.4544 -5.4544 -5.4543 -5.4543 -5.2307 -5.2307 -5.2306 -5.2306 -1.0772 -1.0772 -1.0772 -1.0772 -0.7639 -0.7639 -0.7639 -0.7639 -0.6916 -0.6916 -0.6914 -0.6914 -0.4237 -0.4237 -0.4236 -0.4236 3.4231 3.4231 3.4271 3.4271 3.5655 3.5655 3.5693 3.5693 3.7897 3.7897 3.7942 3.7942 k = 0.0385 0.5000 0.0385 ( 6882 PWs) bands (ev): -28.4532 -28.4532 -28.4532 -28.4532 -28.4328 -28.4328 -28.4328 -28.4328 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5731 -9.5731 -9.5662 -9.5662 -9.5328 -9.5328 -9.5261 -9.5261 -9.4149 -9.4149 -9.4056 -9.4056 -9.3841 -9.3841 -9.3746 -9.3746 -7.1124 -7.1124 -7.1123 -7.1123 -6.7771 -6.7771 -6.7771 -6.7771 -5.4555 -5.4555 -5.4555 -5.4555 -5.2293 -5.2293 -5.2292 -5.2292 -1.0811 -1.0811 -1.0811 -1.0811 -0.7647 -0.7647 -0.7647 -0.7647 -0.6918 -0.6918 -0.6917 -0.6917 -0.4203 -0.4203 -0.4202 -0.4202 3.4237 3.4237 3.4268 3.4268 3.5651 3.5651 3.5680 3.5680 3.7942 3.7942 3.7978 3.7978 k = 0.0256 0.5000 0.0256 ( 6884 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5704 -9.5704 -9.5652 -9.5652 -9.5339 -9.5339 -9.5288 -9.5288 -9.4115 -9.4115 -9.4040 -9.4040 -9.3855 -9.3855 -9.3779 -9.3779 -7.1137 -7.1137 -7.1137 -7.1137 -6.7758 -6.7758 -6.7757 -6.7757 -5.4563 -5.4563 -5.4563 -5.4563 -5.2283 -5.2283 -5.2282 -5.2282 -1.0840 -1.0840 -1.0840 -1.0840 -0.7654 -0.7654 -0.7654 -0.7654 -0.6919 -0.6919 -0.6918 -0.6918 -0.4178 -0.4178 -0.4177 -0.4177 3.4242 3.4242 3.4263 3.4263 3.5649 3.5649 3.5669 3.5669 3.7978 3.7978 3.8002 3.8002 k = 0.0128 0.5000 0.0128 ( 6876 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4327 -28.4327 -28.4327 -28.4327 -21.1406 -21.1406 -21.1406 -21.1406 -21.1308 -21.1308 -21.1308 -21.1308 -9.5680 -9.5680 -9.5652 -9.5652 -9.5340 -9.5340 -9.5312 -9.5312 -9.4083 -9.4083 -9.4041 -9.4041 -9.3853 -9.3853 -9.3810 -9.3810 -7.1145 -7.1145 -7.1145 -7.1145 -6.7750 -6.7750 -6.7750 -6.7750 -5.4568 -5.4568 -5.4568 -5.4568 -5.2276 -5.2276 -5.2276 -5.2276 -1.0857 -1.0857 -1.0857 -1.0857 -0.7658 -0.7658 -0.7658 -0.7658 -0.6920 -0.6920 -0.6919 -0.6919 -0.4163 -0.4163 -0.4163 -0.4163 3.4247 3.4247 3.4258 3.4258 3.5650 3.5650 3.5660 3.5660 3.8002 3.8002 3.8015 3.8015 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -28.4533 -28.4533 -28.4533 -28.4533 -28.4326 -28.4326 -28.4326 -28.4326 -21.1406 -21.1406 -21.1406 -21.1406 -21.1307 -21.1307 -21.1307 -21.1307 -9.5661 -9.5661 -9.5661 -9.5661 -9.5330 -9.5330 -9.5330 -9.5330 -9.4057 -9.4057 -9.4057 -9.4057 -9.3836 -9.3836 -9.3836 -9.3836 -7.1148 -7.1148 -7.1148 -7.1148 -6.7747 -6.7747 -6.7747 -6.7747 -5.4569 -5.4569 -5.4569 -5.4569 -5.2274 -5.2274 -5.2274 -5.2274 -1.0862 -1.0862 -1.0862 -1.0862 -0.7659 -0.7659 -0.7659 -0.7659 -0.6920 -0.6920 -0.6920 -0.6920 -0.4158 -0.4158 -0.4158 -0.4158 3.4253 3.4253 3.4253 3.4253 3.5654 3.5654 3.5654 3.5654 3.8015 3.8015 3.8015 3.8015 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5828 -9.5828 -9.5828 -9.5828 -9.5710 -9.5710 -9.5710 -9.5710 -9.3779 -9.3779 -9.3779 -9.3779 -9.3658 -9.3658 -9.3658 -9.3658 -6.9430 -6.9430 -6.9430 -6.9430 -6.9428 -6.9428 -6.9428 -6.9428 -5.3500 -5.3500 -5.3500 -5.3500 -5.3492 -5.3492 -5.3492 -5.3492 -0.7603 -0.7603 -0.7603 -0.7603 -0.7595 -0.7595 -0.7595 -0.7595 -0.6838 -0.6838 -0.6838 -0.6838 -0.6832 -0.6832 -0.6832 -0.6832 3.4607 3.4607 3.4607 3.4607 3.4716 3.4716 3.4716 3.4716 3.8506 3.8506 3.8506 3.8506 k = 0.5000 0.5000 0.0179 ( 6872 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5836 -9.5836 -9.5824 -9.5824 -9.5712 -9.5712 -9.5712 -9.5712 -9.3777 -9.3777 -9.3777 -9.3777 -9.3661 -9.3661 -9.3649 -9.3649 -6.9432 -6.9432 -6.9432 -6.9432 -6.9430 -6.9430 -6.9429 -6.9429 -5.3499 -5.3499 -5.3499 -5.3499 -5.3492 -5.3492 -5.3491 -5.3491 -0.7602 -0.7602 -0.7602 -0.7602 -0.7593 -0.7593 -0.7593 -0.7593 -0.6839 -0.6839 -0.6839 -0.6839 -0.6833 -0.6833 -0.6833 -0.6833 3.4594 3.4594 3.4608 3.4608 3.4709 3.4709 3.4710 3.4710 3.8513 3.8513 3.8513 3.8513 k = 0.5000 0.5000 0.0357 ( 6896 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5848 -9.5848 -9.5824 -9.5824 -9.5719 -9.5719 -9.5719 -9.5719 -9.3768 -9.3768 -9.3768 -9.3768 -9.3660 -9.3660 -9.3636 -9.3636 -6.9436 -6.9436 -6.9436 -6.9436 -6.9434 -6.9434 -6.9434 -6.9434 -5.3496 -5.3496 -5.3496 -5.3496 -5.3488 -5.3488 -5.3487 -5.3487 -0.7598 -0.7598 -0.7597 -0.7597 -0.7589 -0.7589 -0.7589 -0.7589 -0.6842 -0.6842 -0.6841 -0.6841 -0.6836 -0.6836 -0.6836 -0.6836 3.4569 3.4569 3.4597 3.4597 3.4691 3.4691 3.4691 3.4691 3.8534 3.8534 3.8534 3.8534 k = 0.5000 0.5000 0.0536 ( 6880 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -21.1359 -9.5863 -9.5863 -9.5829 -9.5829 -9.5731 -9.5731 -9.5731 -9.5731 -9.3754 -9.3754 -9.3754 -9.3754 -9.3653 -9.3653 -9.3617 -9.3617 -6.9444 -6.9444 -6.9444 -6.9444 -6.9442 -6.9442 -6.9442 -6.9442 -5.3490 -5.3490 -5.3490 -5.3490 -5.3483 -5.3483 -5.3481 -5.3481 -0.7590 -0.7590 -0.7590 -0.7590 -0.7583 -0.7583 -0.7581 -0.7581 -0.6847 -0.6847 -0.6845 -0.6845 -0.6841 -0.6841 -0.6840 -0.6840 3.4533 3.4533 3.4575 3.4575 3.4661 3.4661 3.4661 3.4661 3.8568 3.8568 3.8568 3.8568 k = 0.5000 0.5000 0.0714 ( 6892 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1359 -21.1359 -21.1359 -21.1359 -9.5883 -9.5883 -9.5837 -9.5837 -9.5746 -9.5746 -9.5746 -9.5746 -9.3735 -9.3735 -9.3735 -9.3735 -9.3641 -9.3641 -9.3595 -9.3595 -6.9455 -6.9455 -6.9455 -6.9455 -6.9453 -6.9453 -6.9452 -6.9452 -5.3482 -5.3482 -5.3482 -5.3482 -5.3475 -5.3475 -5.3473 -5.3473 -0.7581 -0.7581 -0.7580 -0.7580 -0.7573 -0.7573 -0.7571 -0.7571 -0.6853 -0.6853 -0.6851 -0.6851 -0.6847 -0.6847 -0.6846 -0.6846 3.4488 3.4488 3.4542 3.4542 3.4620 3.4620 3.4620 3.4620 3.8614 3.8614 3.8615 3.8615 k = 0.5000 0.5000 0.0893 ( 6884 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1359 -21.1359 -9.5905 -9.5905 -9.5849 -9.5849 -9.5766 -9.5766 -9.5766 -9.5766 -9.3711 -9.3711 -9.3711 -9.3711 -9.3625 -9.3625 -9.3568 -9.3568 -6.9468 -6.9468 -6.9468 -6.9468 -6.9466 -6.9466 -6.9466 -6.9466 -5.3472 -5.3472 -5.3472 -5.3472 -5.3466 -5.3466 -5.3463 -5.3463 -0.7568 -0.7568 -0.7567 -0.7567 -0.7561 -0.7561 -0.7559 -0.7559 -0.6861 -0.6861 -0.6858 -0.6858 -0.6854 -0.6854 -0.6854 -0.6854 3.4433 3.4433 3.4500 3.4500 3.4569 3.4569 3.4570 3.4570 3.8672 3.8672 3.8673 3.8673 k = 0.5000 0.5000 0.1071 ( 6884 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -9.5929 -9.5929 -9.5864 -9.5864 -9.5789 -9.5789 -9.5789 -9.5789 -9.3683 -9.3683 -9.3683 -9.3683 -9.3604 -9.3604 -9.3538 -9.3538 -6.9484 -6.9484 -6.9484 -6.9484 -6.9483 -6.9483 -6.9482 -6.9482 -5.3460 -5.3460 -5.3460 -5.3460 -5.3454 -5.3454 -5.3451 -5.3451 -0.7553 -0.7553 -0.7552 -0.7552 -0.7546 -0.7546 -0.7544 -0.7544 -0.6870 -0.6870 -0.6866 -0.6866 -0.6863 -0.6863 -0.6862 -0.6862 3.4371 3.4371 3.4448 3.4448 3.4510 3.4510 3.4511 3.4511 3.8739 3.8739 3.8740 3.8740 k = 0.5000 0.5000 0.1250 ( 6892 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -9.5956 -9.5956 -9.5882 -9.5882 -9.5814 -9.5814 -9.5814 -9.5814 -9.3651 -9.3651 -9.3651 -9.3651 -9.3580 -9.3580 -9.3505 -9.3505 -6.9503 -6.9503 -6.9502 -6.9502 -6.9501 -6.9501 -6.9500 -6.9500 -5.3446 -5.3446 -5.3446 -5.3446 -5.3441 -5.3441 -5.3437 -5.3437 -0.7536 -0.7536 -0.7535 -0.7535 -0.7529 -0.7529 -0.7526 -0.7526 -0.6880 -0.6880 -0.6876 -0.6876 -0.6874 -0.6874 -0.6873 -0.6873 3.4302 3.4302 3.4389 3.4389 3.4443 3.4443 3.4444 3.4444 3.8815 3.8815 3.8817 3.8817 k = 0.5000 0.5000 0.1429 ( 6888 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -9.5985 -9.5985 -9.5903 -9.5903 -9.5841 -9.5841 -9.5841 -9.5841 -9.3617 -9.3617 -9.3617 -9.3617 -9.3553 -9.3553 -9.3469 -9.3469 -6.9523 -6.9523 -6.9523 -6.9523 -6.9522 -6.9522 -6.9521 -6.9521 -5.3431 -5.3431 -5.3431 -5.3431 -5.3426 -5.3426 -5.3422 -5.3422 -0.7516 -0.7516 -0.7515 -0.7515 -0.7511 -0.7511 -0.7507 -0.7507 -0.6892 -0.6892 -0.6887 -0.6887 -0.6885 -0.6885 -0.6884 -0.6884 3.4228 3.4228 3.4323 3.4323 3.4371 3.4371 3.4372 3.4372 3.8899 3.8899 3.8900 3.8900 k = 0.5000 0.5000 0.1607 ( 6868 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -9.6014 -9.6014 -9.5925 -9.5925 -9.5871 -9.5871 -9.5871 -9.5871 -9.3580 -9.3580 -9.3580 -9.3580 -9.3523 -9.3523 -9.3432 -9.3432 -6.9546 -6.9546 -6.9545 -6.9545 -6.9545 -6.9545 -6.9543 -6.9543 -5.3414 -5.3414 -5.3414 -5.3414 -5.3409 -5.3409 -5.3405 -5.3405 -0.7495 -0.7495 -0.7494 -0.7494 -0.7490 -0.7490 -0.7486 -0.7486 -0.6905 -0.6905 -0.6898 -0.6898 -0.6898 -0.6898 -0.6897 -0.6897 3.4150 3.4150 3.4253 3.4253 3.4295 3.4295 3.4296 3.4296 3.8987 3.8987 3.8989 3.8989 k = 0.5000 0.5000 0.1786 ( 6876 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -21.1360 -9.6045 -9.6045 -9.5949 -9.5949 -9.5901 -9.5901 -9.5901 -9.5901 -9.3541 -9.3541 -9.3541 -9.3541 -9.3491 -9.3491 -9.3393 -9.3393 -6.9570 -6.9570 -6.9570 -6.9570 -6.9569 -6.9569 -6.9568 -6.9568 -5.3396 -5.3396 -5.3396 -5.3396 -5.3391 -5.3391 -5.3387 -5.3387 -0.7472 -0.7472 -0.7471 -0.7471 -0.7468 -0.7468 -0.7463 -0.7463 -0.6918 -0.6918 -0.6912 -0.6912 -0.6911 -0.6911 -0.6910 -0.6910 3.4069 3.4069 3.4179 3.4179 3.4215 3.4215 3.4216 3.4216 3.9080 3.9080 3.9082 3.9082 k = 0.5000 0.5000 0.1964 ( 6876 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1360 -21.1360 -9.6076 -9.6076 -9.5975 -9.5975 -9.5932 -9.5932 -9.5932 -9.5932 -9.3502 -9.3502 -9.3502 -9.3502 -9.3457 -9.3457 -9.3353 -9.3353 -6.9595 -6.9595 -6.9595 -6.9595 -6.9595 -6.9595 -6.9593 -6.9593 -5.3377 -5.3377 -5.3377 -5.3377 -5.3373 -5.3373 -5.3368 -5.3368 -0.7448 -0.7448 -0.7447 -0.7447 -0.7446 -0.7446 -0.7439 -0.7439 -0.6932 -0.6932 -0.6926 -0.6926 -0.6924 -0.6924 -0.6924 -0.6924 3.3986 3.3986 3.4102 3.4102 3.4133 3.4133 3.4134 3.4134 3.9176 3.9176 3.9177 3.9177 k = 0.5000 0.5000 0.2143 ( 6876 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -9.6107 -9.6107 -9.6001 -9.6001 -9.5963 -9.5963 -9.5963 -9.5963 -9.3461 -9.3461 -9.3461 -9.3461 -9.3423 -9.3423 -9.3313 -9.3313 -6.9621 -6.9621 -6.9621 -6.9621 -6.9621 -6.9621 -6.9620 -6.9620 -5.3357 -5.3357 -5.3357 -5.3357 -5.3354 -5.3354 -5.3348 -5.3348 -0.7423 -0.7423 -0.7422 -0.7422 -0.7422 -0.7422 -0.7414 -0.7414 -0.6947 -0.6947 -0.6941 -0.6941 -0.6939 -0.6939 -0.6937 -0.6937 3.3903 3.3903 3.4023 3.4023 3.4050 3.4050 3.4051 3.4051 3.9273 3.9273 3.9274 3.9274 k = 0.5000 0.5000 0.2321 ( 6896 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -9.6138 -9.6138 -9.6027 -9.6027 -9.5995 -9.5995 -9.5995 -9.5995 -9.3421 -9.3421 -9.3421 -9.3421 -9.3387 -9.3387 -9.3273 -9.3273 -6.9649 -6.9649 -6.9648 -6.9648 -6.9648 -6.9648 -6.9647 -6.9647 -5.3337 -5.3337 -5.3337 -5.3337 -5.3334 -5.3334 -5.3328 -5.3328 -0.7398 -0.7398 -0.7398 -0.7398 -0.7396 -0.7396 -0.7389 -0.7389 -0.6962 -0.6962 -0.6955 -0.6955 -0.6954 -0.6954 -0.6950 -0.6950 3.3819 3.3819 3.3944 3.3944 3.3967 3.3967 3.3968 3.3968 3.9371 3.9371 3.9372 3.9372 k = 0.5000 0.5000 0.2500 ( 6920 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -21.1361 -9.6168 -9.6168 -9.6053 -9.6053 -9.6025 -9.6025 -9.6025 -9.6025 -9.3381 -9.3381 -9.3381 -9.3381 -9.3352 -9.3352 -9.3234 -9.3234 -6.9676 -6.9676 -6.9676 -6.9676 -6.9676 -6.9676 -6.9674 -6.9674 -5.3317 -5.3317 -5.3317 -5.3317 -5.3314 -5.3314 -5.3308 -5.3308 -0.7375 -0.7375 -0.7373 -0.7373 -0.7371 -0.7371 -0.7363 -0.7363 -0.6977 -0.6977 -0.6970 -0.6970 -0.6969 -0.6969 -0.6963 -0.6963 3.3737 3.3737 3.3866 3.3866 3.3885 3.3885 3.3886 3.3886 3.9467 3.9467 3.9468 3.9468 k = 0.5000 0.5000 0.2679 ( 6892 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1361 -21.1361 -9.6197 -9.6197 -9.6078 -9.6078 -9.6055 -9.6055 -9.6055 -9.6055 -9.3342 -9.3342 -9.3342 -9.3342 -9.3317 -9.3317 -9.3195 -9.3195 -6.9704 -6.9704 -6.9703 -6.9703 -6.9703 -6.9703 -6.9702 -6.9702 -5.3297 -5.3297 -5.3297 -5.3297 -5.3294 -5.3294 -5.3287 -5.3287 -0.7351 -0.7351 -0.7347 -0.7347 -0.7345 -0.7345 -0.7338 -0.7338 -0.6991 -0.6991 -0.6985 -0.6985 -0.6983 -0.6983 -0.6975 -0.6975 3.3657 3.3657 3.3789 3.3789 3.3805 3.3805 3.3806 3.3806 3.9563 3.9563 3.9564 3.9564 k = 0.5000 0.5000 0.2857 ( 6900 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -9.6225 -9.6225 -9.6103 -9.6103 -9.6084 -9.6084 -9.6084 -9.6084 -9.3304 -9.3304 -9.3304 -9.3304 -9.3284 -9.3284 -9.3158 -9.3158 -6.9731 -6.9731 -6.9730 -6.9730 -6.9730 -6.9730 -6.9729 -6.9729 -5.3277 -5.3277 -5.3277 -5.3277 -5.3275 -5.3275 -5.3268 -5.3268 -0.7329 -0.7329 -0.7322 -0.7322 -0.7320 -0.7320 -0.7313 -0.7313 -0.7005 -0.7005 -0.6999 -0.6999 -0.6997 -0.6997 -0.6986 -0.6986 3.3579 3.3579 3.3715 3.3715 3.3728 3.3728 3.3728 3.3728 3.9655 3.9655 3.9656 3.9656 k = 0.5000 0.5000 0.3036 ( 6904 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -9.6252 -9.6252 -9.6127 -9.6127 -9.6111 -9.6111 -9.6111 -9.6111 -9.3268 -9.3268 -9.3268 -9.3268 -9.3251 -9.3251 -9.3122 -9.3122 -6.9757 -6.9757 -6.9756 -6.9756 -6.9756 -6.9756 -6.9755 -6.9755 -5.3258 -5.3258 -5.3257 -5.3257 -5.3256 -5.3256 -5.3248 -5.3248 -0.7309 -0.7309 -0.7299 -0.7299 -0.7297 -0.7297 -0.7290 -0.7290 -0.7018 -0.7018 -0.7012 -0.7012 -0.7010 -0.7010 -0.6996 -0.6996 3.3505 3.3505 3.3643 3.3643 3.3654 3.3654 3.3654 3.3654 3.9743 3.9743 3.9744 3.9744 k = 0.5000 0.5000 0.3214 ( 6904 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -9.6277 -9.6277 -9.6149 -9.6149 -9.6136 -9.6136 -9.6136 -9.6136 -9.3234 -9.3234 -9.3234 -9.3234 -9.3220 -9.3220 -9.3089 -9.3089 -6.9783 -6.9783 -6.9781 -6.9781 -6.9781 -6.9781 -6.9780 -6.9780 -5.3239 -5.3239 -5.3239 -5.3239 -5.3237 -5.3237 -5.3230 -5.3230 -0.7290 -0.7290 -0.7276 -0.7276 -0.7274 -0.7274 -0.7268 -0.7268 -0.7030 -0.7030 -0.7024 -0.7024 -0.7022 -0.7022 -0.7005 -0.7005 3.3436 3.3436 3.3575 3.3575 3.3584 3.3584 3.3584 3.3584 3.9827 3.9827 3.9828 3.9828 k = 0.5000 0.5000 0.3393 ( 6888 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -21.1362 -9.6300 -9.6300 -9.6170 -9.6170 -9.6160 -9.6160 -9.6160 -9.6160 -9.3202 -9.3202 -9.3202 -9.3202 -9.3191 -9.3191 -9.3057 -9.3057 -6.9807 -6.9807 -6.9805 -6.9805 -6.9805 -6.9805 -6.9804 -6.9804 -5.3221 -5.3221 -5.3221 -5.3221 -5.3220 -5.3220 -5.3212 -5.3212 -0.7274 -0.7274 -0.7256 -0.7256 -0.7254 -0.7254 -0.7248 -0.7248 -0.7040 -0.7040 -0.7035 -0.7035 -0.7033 -0.7033 -0.7011 -0.7011 3.3371 3.3371 3.3512 3.3512 3.3519 3.3519 3.3519 3.3519 3.9906 3.9906 3.9906 3.9906 k = 0.5000 0.5000 0.3571 ( 6872 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1362 -21.1362 -9.6321 -9.6321 -9.6190 -9.6190 -9.6181 -9.6181 -9.6181 -9.6181 -9.3173 -9.3173 -9.3173 -9.3173 -9.3164 -9.3164 -9.3029 -9.3029 -6.9829 -6.9829 -6.9827 -6.9827 -6.9827 -6.9827 -6.9827 -6.9827 -5.3205 -5.3205 -5.3205 -5.3205 -5.3204 -5.3204 -5.3196 -5.3196 -0.7261 -0.7261 -0.7237 -0.7237 -0.7236 -0.7236 -0.7230 -0.7230 -0.7048 -0.7048 -0.7043 -0.7043 -0.7042 -0.7042 -0.7015 -0.7015 3.3311 3.3311 3.3454 3.3454 3.3459 3.3459 3.3460 3.3460 3.9978 3.9978 3.9979 3.9979 k = 0.5000 0.5000 0.3750 ( 6864 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1362 -21.1362 -9.6340 -9.6340 -9.6207 -9.6207 -9.6201 -9.6201 -9.6201 -9.6201 -9.3146 -9.3146 -9.3146 -9.3146 -9.3140 -9.3140 -9.3003 -9.3003 -6.9850 -6.9850 -6.9847 -6.9847 -6.9847 -6.9847 -6.9847 -6.9847 -5.3190 -5.3190 -5.3190 -5.3190 -5.3189 -5.3189 -5.3181 -5.3181 -0.7250 -0.7250 -0.7222 -0.7222 -0.7220 -0.7220 -0.7216 -0.7216 -0.7054 -0.7054 -0.7050 -0.7050 -0.7048 -0.7048 -0.7017 -0.7017 3.3257 3.3257 3.3402 3.3402 3.3406 3.3406 3.3406 3.3406 4.0044 4.0044 4.0045 4.0046 k = 0.5000 0.5000 0.3929 ( 6860 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6357 -9.6357 -9.6222 -9.6222 -9.6218 -9.6218 -9.6218 -9.6218 -9.3123 -9.3123 -9.3123 -9.3123 -9.3118 -9.3118 -9.2980 -9.2980 -6.9868 -6.9868 -6.9865 -6.9865 -6.9865 -6.9865 -6.9865 -6.9865 -5.3177 -5.3177 -5.3177 -5.3177 -5.3176 -5.3176 -5.3168 -5.3168 -0.7242 -0.7242 -0.7210 -0.7210 -0.7208 -0.7208 -0.7205 -0.7205 -0.7058 -0.7058 -0.7055 -0.7055 -0.7053 -0.7053 -0.7017 -0.7017 3.3210 3.3210 3.3355 3.3355 3.3358 3.3358 3.3358 3.3358 4.0102 4.0102 4.0102 4.0104 k = 0.5000 0.5000 0.4107 ( 6856 PWs) bands (ev): -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4429 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6371 -9.6371 -9.6235 -9.6235 -9.6232 -9.6232 -9.6232 -9.6232 -9.3103 -9.3103 -9.3103 -9.3103 -9.3099 -9.3099 -9.2960 -9.2960 -6.9884 -6.9884 -6.9881 -6.9881 -6.9881 -6.9881 -6.9881 -6.9881 -5.3165 -5.3165 -5.3165 -5.3165 -5.3165 -5.3165 -5.3156 -5.3156 -0.7237 -0.7237 -0.7201 -0.7201 -0.7200 -0.7200 -0.7197 -0.7197 -0.7059 -0.7059 -0.7057 -0.7057 -0.7056 -0.7056 -0.7016 -0.7016 3.3169 3.3169 3.3315 3.3315 3.3317 3.3317 3.3317 3.3317 4.0152 4.0152 4.0153 4.0154 k = 0.5000 0.5000 0.4286 ( 6832 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6383 -9.6383 -9.6246 -9.6246 -9.6244 -9.6244 -9.6244 -9.6244 -9.3086 -9.3086 -9.3086 -9.3086 -9.3084 -9.3084 -9.2943 -9.2943 -6.9897 -6.9897 -6.9894 -6.9894 -6.9894 -6.9894 -6.9894 -6.9894 -5.3156 -5.3156 -5.3156 -5.3156 -5.3155 -5.3155 -5.3147 -5.3147 -0.7233 -0.7233 -0.7194 -0.7194 -0.7194 -0.7194 -0.7192 -0.7192 -0.7059 -0.7059 -0.7057 -0.7057 -0.7056 -0.7056 -0.7014 -0.7014 3.3135 3.3135 3.3282 3.3282 3.3283 3.3283 3.3283 3.3283 4.0194 4.0194 4.0195 4.0195 k = 0.5000 0.5000 0.4464 ( 6848 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6392 -9.6392 -9.6255 -9.6255 -9.6254 -9.6254 -9.6254 -9.6254 -9.3073 -9.3073 -9.3073 -9.3073 -9.3072 -9.3072 -9.2931 -9.2931 -6.9907 -6.9907 -6.9904 -6.9904 -6.9904 -6.9904 -6.9904 -6.9904 -5.3148 -5.3148 -5.3148 -5.3148 -5.3148 -5.3148 -5.3139 -5.3139 -0.7231 -0.7231 -0.7190 -0.7190 -0.7190 -0.7190 -0.7189 -0.7189 -0.7057 -0.7057 -0.7056 -0.7056 -0.7056 -0.7056 -0.7012 -0.7012 3.3108 3.3108 3.3255 3.3255 3.3256 3.3256 3.3256 3.3256 4.0226 4.0227 4.0227 4.0227 k = 0.5000 0.5000 0.4643 ( 6848 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6398 -9.6398 -9.6261 -9.6261 -9.6261 -9.6261 -9.6261 -9.6261 -9.3064 -9.3064 -9.3064 -9.3064 -9.3063 -9.3063 -9.2921 -9.2921 -6.9915 -6.9915 -6.9912 -6.9912 -6.9912 -6.9912 -6.9912 -6.9912 -5.3143 -5.3143 -5.3143 -5.3143 -5.3143 -5.3143 -5.3134 -5.3134 -0.7230 -0.7230 -0.7188 -0.7188 -0.7188 -0.7188 -0.7187 -0.7187 -0.7056 -0.7056 -0.7055 -0.7055 -0.7055 -0.7055 -0.7010 -0.7010 3.3089 3.3089 3.3237 3.3237 3.3237 3.3237 3.3237 3.3237 4.0250 4.0250 4.0250 4.0250 k = 0.5000 0.5000 0.4821 ( 6864 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6403 -9.6403 -9.6265 -9.6265 -9.6265 -9.6265 -9.6265 -9.6265 -9.3058 -9.3058 -9.3058 -9.3058 -9.3058 -9.3058 -9.2916 -9.2916 -6.9919 -6.9919 -6.9916 -6.9916 -6.9916 -6.9916 -6.9916 -6.9916 -5.3139 -5.3139 -5.3139 -5.3139 -5.3139 -5.3139 -5.3130 -5.3130 -0.7230 -0.7230 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7055 -0.7055 -0.7054 -0.7054 -0.7054 -0.7054 -0.7008 -0.7008 3.3077 3.3077 3.3225 3.3225 3.3225 3.3225 3.3225 3.3225 4.0264 4.0264 4.0264 4.0264 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -28.4428 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -21.1363 -9.6404 -9.6404 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.6266 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.3056 -9.2914 -9.2914 -6.9921 -6.9921 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -6.9918 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3138 -5.3129 -5.3129 -0.7230 -0.7230 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7187 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7054 -0.7008 -0.7008 3.3073 3.3073 3.3221 3.3221 3.3221 3.3221 3.3221 3.3221 4.0269 4.0269 4.0269 4.0269 Writing output data file N2O.save init_run : 0.12s CPU 0.26s WALL ( 1 calls) electrons : 222.22s CPU 225.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 222.21s CPU 225.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 216 calls) cegterg : 206.77s CPU 208.98s WALL ( 300 calls) Called by sum_band: Called by *egterg: h_psi : 107.54s CPU 108.91s WALL ( 5182 calls) s_psi : 5.52s CPU 5.73s WALL ( 5182 calls) g_psi : 0.33s CPU 0.37s WALL ( 4666 calls) cdiaghg : 76.45s CPU 77.45s WALL ( 4882 calls) cegterg:over : 11.68s CPU 11.67s WALL ( 4666 calls) cegterg:upda : 10.22s CPU 10.10s WALL ( 4666 calls) cegterg:last : 4.59s CPU 4.65s WALL ( 732 calls) cdiaghg:chol : 4.54s CPU 4.58s WALL ( 4882 calls) cdiaghg:inve : 3.29s CPU 3.37s WALL ( 4882 calls) cdiaghg:para : 5.86s CPU 5.98s WALL ( 9764 calls) Called by h_psi: h_psi:vloc : 94.01s CPU 95.24s WALL ( 5182 calls) h_psi:vnl : 13.07s CPU 13.27s WALL ( 5182 calls) add_vuspsi : 5.64s CPU 5.78s WALL ( 5182 calls) General routines calbec : 7.40s CPU 7.48s WALL ( 5182 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.81s CPU 89.10s WALL ( 766692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.31s WALL ( 432 calls) Parallel routines fft_scatter : 34.93s CPU 35.70s WALL ( 766715 calls) PWSCF : 4m 2.10s CPU 4m18.73s WALL This run was terminated on: 20:59:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=