Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:36 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: ./TlCdxNO2x3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 143 42 12 7779 1224 194 Max 144 43 13 7784 1247 199 Sum 5177 1517 437 280169 44473 7075 bravais-lattice index = 14 lattice parameter (alat) = 10.0911 a.u. unit-cell volume = 1027.5910 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.091137 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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. # 4 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 Cd 12.00 112.41100 Cd( 1.00) Tl 13.00 204.38330 Tl( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 280169 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 44473 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 322, 92) NL pseudopotentials 0.48 Mb ( 161, 194) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.06 Mb ( 7784) G-vector shells 0.01 Mb ( 1185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.81 Mb ( 322, 368) Each subspace H/S matrix 0.13 Mb ( 92, 92) Each matrix 0.54 Mb ( 194, 2, 92) The potential is recalculated from file : ./TlCdxNO2x3.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 14.9 secs Computing kpt #: 12 total cpu time spent up to now is 15.9 secs Computing kpt #: 13 total cpu time spent up to now is 17.0 secs Computing kpt #: 14 total cpu time spent up to now is 18.1 secs Computing kpt #: 15 total cpu time spent up to now is 19.2 secs Computing kpt #: 16 total cpu time spent up to now is 20.3 secs Computing kpt #: 17 total cpu time spent up to now is 21.4 secs Computing kpt #: 18 total cpu time spent up to now is 22.6 secs Computing kpt #: 19 total cpu time spent up to now is 23.7 secs Computing kpt #: 20 total cpu time spent up to now is 24.8 secs Computing kpt #: 21 total cpu time spent up to now is 25.9 secs Computing kpt #: 22 total cpu time spent up to now is 27.1 secs Computing kpt #: 23 total cpu time spent up to now is 28.2 secs Computing kpt #: 24 total cpu time spent up to now is 29.3 secs Computing kpt #: 25 total cpu time spent up to now is 30.4 secs Computing kpt #: 26 total cpu time spent up to now is 31.5 secs Computing kpt #: 27 total cpu time spent up to now is 32.6 secs Computing kpt #: 28 total cpu time spent up to now is 33.8 secs Computing kpt #: 29 total cpu time spent up to now is 34.9 secs Computing kpt #: 30 total cpu time spent up to now is 36.0 secs Computing kpt #: 31 total cpu time spent up to now is 37.1 secs Computing kpt #: 32 total cpu time spent up to now is 38.2 secs Computing kpt #: 33 total cpu time spent up to now is 39.3 secs Computing kpt #: 34 total cpu time spent up to now is 40.5 secs Computing kpt #: 35 total cpu time spent up to now is 41.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 43.8 secs Computing kpt #: 38 total cpu time spent up to now is 44.9 secs Computing kpt #: 39 total cpu time spent up to now is 46.1 secs Computing kpt #: 40 total cpu time spent up to now is 47.2 secs Computing kpt #: 41 total cpu time spent up to now is 48.3 secs Computing kpt #: 42 total cpu time spent up to now is 49.4 secs Computing kpt #: 43 total cpu time spent up to now is 50.6 secs Computing kpt #: 44 total cpu time spent up to now is 51.7 secs Computing kpt #: 45 total cpu time spent up to now is 52.9 secs Computing kpt #: 46 total cpu time spent up to now is 54.0 secs Computing kpt #: 47 total cpu time spent up to now is 55.2 secs Computing kpt #: 48 total cpu time spent up to now is 56.3 secs Computing kpt #: 49 total cpu time spent up to now is 57.5 secs Computing kpt #: 50 total cpu time spent up to now is 58.6 secs Computing kpt #: 51 total cpu time spent up to now is 59.8 secs Computing kpt #: 52 total cpu time spent up to now is 60.9 secs Computing kpt #: 53 total cpu time spent up to now is 62.1 secs Computing kpt #: 54 total cpu time spent up to now is 63.2 secs Computing kpt #: 55 total cpu time spent up to now is 64.4 secs Computing kpt #: 56 total cpu time spent up to now is 65.5 secs Computing kpt #: 57 total cpu time spent up to now is 66.7 secs Computing kpt #: 58 total cpu time spent up to now is 67.8 secs Computing kpt #: 59 total cpu time spent up to now is 69.0 secs Computing kpt #: 60 total cpu time spent up to now is 70.1 secs Computing kpt #: 61 total cpu time spent up to now is 71.2 secs Computing kpt #: 62 total cpu time spent up to now is 72.3 secs Computing kpt #: 63 total cpu time spent up to now is 73.4 secs Computing kpt #: 64 total cpu time spent up to now is 74.6 secs Computing kpt #: 65 total cpu time spent up to now is 75.7 secs Computing kpt #: 66 total cpu time spent up to now is 76.8 secs Computing kpt #: 67 total cpu time spent up to now is 78.0 secs Computing kpt #: 68 total cpu time spent up to now is 79.1 secs Computing kpt #: 69 total cpu time spent up to now is 80.2 secs Computing kpt #: 70 total cpu time spent up to now is 81.4 secs Computing kpt #: 71 total cpu time spent up to now is 82.5 secs Computing kpt #: 72 total cpu time spent up to now is 83.7 secs Computing kpt #: 73 total cpu time spent up to now is 84.8 secs Computing kpt #: 74 total cpu time spent up to now is 85.9 secs Computing kpt #: 75 total cpu time spent up to now is 87.1 secs Computing kpt #: 76 total cpu time spent up to now is 88.2 secs Computing kpt #: 77 total cpu time spent up to now is 89.4 secs Computing kpt #: 78 total cpu time spent up to now is 90.5 secs Computing kpt #: 79 total cpu time spent up to now is 91.6 secs Computing kpt #: 80 total cpu time spent up to now is 92.8 secs Computing kpt #: 81 total cpu time spent up to now is 93.9 secs Computing kpt #: 82 total cpu time spent up to now is 95.0 secs Computing kpt #: 83 total cpu time spent up to now is 96.2 secs Computing kpt #: 84 total cpu time spent up to now is 97.3 secs Computing kpt #: 85 total cpu time spent up to now is 98.4 secs Computing kpt #: 86 total cpu time spent up to now is 99.5 secs Computing kpt #: 87 total cpu time spent up to now is 100.6 secs Computing kpt #: 88 total cpu time spent up to now is 101.7 secs Computing kpt #: 89 total cpu time spent up to now is 102.8 secs Computing kpt #: 90 total cpu time spent up to now is 103.8 secs Computing kpt #: 91 total cpu time spent up to now is 104.9 secs Computing kpt #: 92 total cpu time spent up to now is 106.0 secs Computing kpt #: 93 total cpu time spent up to now is 107.0 secs Computing kpt #: 94 total cpu time spent up to now is 108.1 secs Computing kpt #: 95 total cpu time spent up to now is 109.2 secs Computing kpt #: 96 total cpu time spent up to now is 110.2 secs Computing kpt #: 97 total cpu time spent up to now is 111.2 secs Computing kpt #: 98 total cpu time spent up to now is 112.2 secs Computing kpt #: 99 total cpu time spent up to now is 113.2 secs Computing kpt #: 100 total cpu time spent up to now is 114.1 secs Computing kpt #: 101 total cpu time spent up to now is 115.1 secs Computing kpt #: 102 total cpu time spent up to now is 116.0 secs Computing kpt #: 103 total cpu time spent up to now is 116.9 secs Computing kpt #: 104 total cpu time spent up to now is 117.8 secs Computing kpt #: 105 total cpu time spent up to now is 118.7 secs Computing kpt #: 106 total cpu time spent up to now is 119.6 secs Computing kpt #: 107 total cpu time spent up to now is 120.5 secs Computing kpt #: 108 total cpu time spent up to now is 121.4 secs Computing kpt #: 109 total cpu time spent up to now is 122.3 secs Computing kpt #: 110 total cpu time spent up to now is 123.3 secs Computing kpt #: 111 total cpu time spent up to now is 124.2 secs Computing kpt #: 112 total cpu time spent up to now is 125.2 secs Computing kpt #: 113 total cpu time spent up to now is 126.2 secs Computing kpt #: 114 total cpu time spent up to now is 127.2 secs Computing kpt #: 115 total cpu time spent up to now is 128.1 secs Computing kpt #: 116 total cpu time spent up to now is 129.1 secs Computing kpt #: 117 total cpu time spent up to now is 130.1 secs Computing kpt #: 118 total cpu time spent up to now is 131.2 secs Computing kpt #: 119 total cpu time spent up to now is 132.2 secs Computing kpt #: 120 total cpu time spent up to now is 133.2 secs Computing kpt #: 121 total cpu time spent up to now is 134.3 secs Computing kpt #: 122 total cpu time spent up to now is 135.3 secs Computing kpt #: 123 total cpu time spent up to now is 136.3 secs Computing kpt #: 124 total cpu time spent up to now is 137.4 secs Computing kpt #: 125 total cpu time spent up to now is 138.4 secs Computing kpt #: 126 total cpu time spent up to now is 139.5 secs Computing kpt #: 127 total cpu time spent up to now is 140.5 secs Computing kpt #: 128 total cpu time spent up to now is 141.6 secs Computing kpt #: 129 total cpu time spent up to now is 142.6 secs Computing kpt #: 130 total cpu time spent up to now is 143.7 secs Computing kpt #: 131 total cpu time spent up to now is 144.7 secs Computing kpt #: 132 total cpu time spent up to now is 145.8 secs Computing kpt #: 133 total cpu time spent up to now is 146.8 secs Computing kpt #: 134 total cpu time spent up to now is 147.9 secs Computing kpt #: 135 total cpu time spent up to now is 148.9 secs Computing kpt #: 136 total cpu time spent up to now is 150.0 secs Computing kpt #: 137 total cpu time spent up to now is 151.0 secs Computing kpt #: 138 total cpu time spent up to now is 152.0 secs Computing kpt #: 139 total cpu time spent up to now is 153.0 secs Computing kpt #: 140 total cpu time spent up to now is 154.1 secs Computing kpt #: 141 total cpu time spent up to now is 155.1 secs Computing kpt #: 142 total cpu time spent up to now is 156.1 secs Computing kpt #: 143 total cpu time spent up to now is 157.1 secs Computing kpt #: 144 total cpu time spent up to now is 158.1 secs Computing kpt #: 145 total cpu time spent up to now is 159.2 secs Computing kpt #: 146 total cpu time spent up to now is 160.2 secs Computing kpt #: 147 total cpu time spent up to now is 161.2 secs Computing kpt #: 148 total cpu time spent up to now is 162.2 secs Computing kpt #: 149 total cpu time spent up to now is 163.2 secs Computing kpt #: 150 total cpu time spent up to now is 164.2 secs Computing kpt #: 151 total cpu time spent up to now is 165.2 secs Computing kpt #: 152 total cpu time spent up to now is 166.1 secs Computing kpt #: 153 total cpu time spent up to now is 167.1 secs Computing kpt #: 154 total cpu time spent up to now is 168.1 secs Computing kpt #: 155 total cpu time spent up to now is 169.1 secs Computing kpt #: 156 total cpu time spent up to now is 170.0 secs Computing kpt #: 157 total cpu time spent up to now is 171.0 secs Computing kpt #: 158 total cpu time spent up to now is 172.0 secs Computing kpt #: 159 total cpu time spent up to now is 173.0 secs Computing kpt #: 160 total cpu time spent up to now is 173.9 secs Computing kpt #: 161 total cpu time spent up to now is 174.9 secs Computing kpt #: 162 total cpu time spent up to now is 175.9 secs Computing kpt #: 163 total cpu time spent up to now is 176.9 secs Computing kpt #: 164 total cpu time spent up to now is 177.8 secs Computing kpt #: 165 total cpu time spent up to now is 178.9 secs Computing kpt #: 166 total cpu time spent up to now is 179.9 secs Computing kpt #: 167 total cpu time spent up to now is 180.9 secs Computing kpt #: 168 total cpu time spent up to now is 181.9 secs Computing kpt #: 169 total cpu time spent up to now is 182.9 secs Computing kpt #: 170 total cpu time spent up to now is 183.9 secs Computing kpt #: 171 total cpu time spent up to now is 184.9 secs Computing kpt #: 172 total cpu time spent up to now is 185.9 secs Computing kpt #: 173 total cpu time spent up to now is 187.0 secs Computing kpt #: 174 total cpu time spent up to now is 188.1 secs Computing kpt #: 175 total cpu time spent up to now is 189.2 secs Computing kpt #: 176 total cpu time spent up to now is 190.3 secs Computing kpt #: 177 total cpu time spent up to now is 191.3 secs Computing kpt #: 178 total cpu time spent up to now is 192.4 secs Computing kpt #: 179 total cpu time spent up to now is 193.5 secs Computing kpt #: 180 total cpu time spent up to now is 194.6 secs Computing kpt #: 181 total cpu time spent up to now is 195.7 secs Computing kpt #: 182 total cpu time spent up to now is 197.0 secs Computing kpt #: 183 total cpu time spent up to now is 198.2 secs Computing kpt #: 184 total cpu time spent up to now is 199.3 secs Computing kpt #: 185 total cpu time spent up to now is 200.4 secs Computing kpt #: 186 total cpu time spent up to now is 201.6 secs Computing kpt #: 187 total cpu time spent up to now is 202.7 secs Computing kpt #: 188 total cpu time spent up to now is 203.8 secs Computing kpt #: 189 total cpu time spent up to now is 204.9 secs Computing kpt #: 190 total cpu time spent up to now is 206.1 secs Computing kpt #: 191 total cpu time spent up to now is 207.2 secs Computing kpt #: 192 total cpu time spent up to now is 208.3 secs Computing kpt #: 193 total cpu time spent up to now is 209.4 secs Computing kpt #: 194 total cpu time spent up to now is 210.6 secs Computing kpt #: 195 total cpu time spent up to now is 211.7 secs Computing kpt #: 196 total cpu time spent up to now is 212.8 secs Computing kpt #: 197 total cpu time spent up to now is 214.0 secs Computing kpt #: 198 total cpu time spent up to now is 215.1 secs Computing kpt #: 199 total cpu time spent up to now is 216.2 secs Computing kpt #: 200 total cpu time spent up to now is 217.3 secs Computing kpt #: 201 total cpu time spent up to now is 218.4 secs Computing kpt #: 202 total cpu time spent up to now is 219.5 secs Computing kpt #: 203 total cpu time spent up to now is 220.6 secs Computing kpt #: 204 total cpu time spent up to now is 221.8 secs Computing kpt #: 205 total cpu time spent up to now is 222.9 secs Computing kpt #: 206 total cpu time spent up to now is 224.0 secs Computing kpt #: 207 total cpu time spent up to now is 225.1 secs Computing kpt #: 208 total cpu time spent up to now is 226.3 secs Computing kpt #: 209 total cpu time spent up to now is 227.4 secs Computing kpt #: 210 total cpu time spent up to now is 228.5 secs Computing kpt #: 211 total cpu time spent up to now is 229.6 secs Computing kpt #: 212 total cpu time spent up to now is 230.8 secs Computing kpt #: 213 total cpu time spent up to now is 231.9 secs Computing kpt #: 214 total cpu time spent up to now is 233.0 secs Computing kpt #: 215 total cpu time spent up to now is 234.1 secs Computing kpt #: 216 total cpu time spent up to now is 235.2 secs Computing kpt #: 217 total cpu time spent up to now is 236.3 secs Computing kpt #: 218 total cpu time spent up to now is 237.3 secs Computing kpt #: 219 total cpu time spent up to now is 238.4 secs Computing kpt #: 220 total cpu time spent up to now is 239.5 secs Computing kpt #: 221 total cpu time spent up to now is 240.5 secs Computing kpt #: 222 total cpu time spent up to now is 241.6 secs Computing kpt #: 223 total cpu time spent up to now is 242.6 secs Computing kpt #: 224 total cpu time spent up to now is 243.6 secs Computing kpt #: 225 total cpu time spent up to now is 244.6 secs Computing kpt #: 226 total cpu time spent up to now is 245.6 secs Computing kpt #: 227 total cpu time spent up to now is 246.6 secs Computing kpt #: 228 total cpu time spent up to now is 247.5 secs Computing kpt #: 229 total cpu time spent up to now is 248.5 secs Computing kpt #: 230 total cpu time spent up to now is 249.5 secs Computing kpt #: 231 total cpu time spent up to now is 250.4 secs ethr = 1.32E-08, avg # of iterations = 15.9 total cpu time spent up to now is 250.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -17.3489 -17.3489 -17.0492 -17.0492 -17.0492 -17.0492 -15.0973 -15.0973 -15.0969 -15.0969 -15.0969 -15.0969 -6.9713 -6.9713 -6.9713 -6.9713 -6.6730 -6.6730 -5.8087 -5.8087 -5.8087 -5.8087 -3.7213 -3.7213 -3.6396 -3.6396 -3.6396 -3.6396 -2.5386 -2.5386 -2.5386 -2.5386 -1.8999 -1.8999 -1.8977 -1.8977 -1.8919 -1.8919 -1.8919 -1.8919 -1.8230 -1.8230 -1.8230 -1.8230 -1.4837 -1.4837 -1.4708 -1.4708 -1.4708 -1.4708 -0.3602 -0.3602 -0.3262 -0.3262 -0.3262 -0.3262 1.6846 1.6846 2.0376 2.0376 2.0376 2.0376 2.0512 2.0512 2.3688 2.3688 2.3688 2.3688 2.3970 2.3970 4.5812 4.5812 5.4766 5.4766 5.5846 5.5846 5.5846 5.5846 6.0533 6.0533 6.1353 6.1353 6.1353 6.1353 6.5378 6.5378 6.5378 6.5378 7.2633 7.2633 10.1844 10.1844 k = 0.0000 0.0167-0.0000 ( 5562 PWs) bands (ev): -17.3487 -17.3487 -17.0494 -17.0494 -17.0491 -17.0491 -15.0975 -15.0975 -15.0971 -15.0971 -15.0969 -15.0969 -6.9711 -6.9711 -6.9702 -6.9702 -6.6726 -6.6726 -5.8089 -5.8089 -5.8087 -5.8087 -3.7213 -3.7213 -3.6400 -3.6400 -3.6397 -3.6397 -2.5391 -2.5391 -2.5385 -2.5385 -1.9021 -1.9021 -1.8997 -1.8997 -1.8933 -1.8933 -1.8915 -1.8915 -1.8233 -1.8233 -1.8218 -1.8218 -1.4830 -1.4830 -1.4704 -1.4704 -1.4690 -1.4690 -0.3607 -0.3607 -0.3272 -0.3272 -0.3264 -0.3264 1.6868 1.6868 2.0369 2.0369 2.0376 2.0376 2.0510 2.0510 2.3680 2.3680 2.3684 2.3684 2.3964 2.3964 4.5814 4.5814 5.4786 5.4786 5.5856 5.5856 5.5869 5.5869 6.0531 6.0531 6.1344 6.1344 6.1358 6.1358 6.5372 6.5372 6.5407 6.5407 7.2648 7.2648 10.1841 10.1841 k = 0.0000 0.0333-0.0000 ( 5546 PWs) bands (ev): -17.3480 -17.3480 -17.0498 -17.0498 -17.0487 -17.0487 -15.0986 -15.0986 -15.0971 -15.0971 -15.0969 -15.0969 -6.9704 -6.9704 -6.9668 -6.9668 -6.6711 -6.6711 -5.8093 -5.8093 -5.8087 -5.8087 -3.7214 -3.7214 -3.6409 -3.6409 -3.6398 -3.6398 -2.5410 -2.5410 -2.5384 -2.5384 -1.9145 -1.9145 -1.9046 -1.9046 -1.8921 -1.8921 -1.8896 -1.8896 -1.8243 -1.8243 -1.8197 -1.8197 -1.4810 -1.4810 -1.4691 -1.4691 -1.4637 -1.4637 -0.3621 -0.3621 -0.3302 -0.3302 -0.3267 -0.3267 1.6933 1.6933 2.0349 2.0349 2.0378 2.0378 2.0504 2.0504 2.3657 2.3657 2.3673 2.3673 2.3947 2.3947 4.5822 4.5822 5.4842 5.4842 5.5885 5.5885 5.5939 5.5939 6.0522 6.0522 6.1317 6.1317 6.1373 6.1373 6.5354 6.5354 6.5491 6.5491 7.2694 7.2694 10.1829 10.1829 k = 0.0000 0.0500-0.0000 ( 5566 PWs) bands (ev): -17.3469 -17.3469 -17.0506 -17.0506 -17.0482 -17.0482 -15.1005 -15.1005 -15.0972 -15.0972 -15.0969 -15.0969 -6.9693 -6.9693 -6.9613 -6.9613 -6.6686 -6.6686 -5.8101 -5.8101 -5.8087 -5.8087 -3.7215 -3.7215 -3.6425 -3.6425 -3.6401 -3.6401 -2.5443 -2.5443 -2.5385 -2.5385 -1.9356 -1.9356 -1.9079 -1.9079 -1.8911 -1.8911 -1.8866 -1.8866 -1.8271 -1.8271 -1.8188 -1.8188 -1.4787 -1.4787 -1.4664 -1.4664 -1.4546 -1.4546 -0.3647 -0.3647 -0.3351 -0.3351 -0.3271 -0.3271 1.7040 1.7040 2.0310 2.0310 2.0380 2.0380 2.0498 2.0498 2.3618 2.3618 2.3654 2.3654 2.3920 2.3920 4.5836 4.5836 5.4931 5.4931 5.5933 5.5933 5.6056 5.6056 6.0502 6.0502 6.1277 6.1277 6.1397 6.1397 6.5323 6.5323 6.5628 6.5628 7.2770 7.2770 10.1810 10.1810 k = 0.0000 0.0667-0.0000 ( 5558 PWs) bands (ev): -17.3452 -17.3452 -17.0517 -17.0517 -17.0474 -17.0474 -15.1032 -15.1032 -15.0972 -15.0972 -15.0969 -15.0969 -6.9678 -6.9678 -6.9539 -6.9539 -6.6649 -6.6649 -5.8111 -5.8111 -5.8087 -5.8087 -3.7217 -3.7217 -3.6447 -3.6447 -3.6404 -3.6404 -2.5488 -2.5488 -2.5384 -2.5384 -1.9611 -1.9611 -1.9109 -1.9109 -1.8899 -1.8899 -1.8832 -1.8832 -1.8331 -1.8331 -1.8189 -1.8189 -1.4766 -1.4766 -1.4616 -1.4616 -1.4418 -1.4418 -0.3688 -0.3688 -0.3418 -0.3418 -0.3272 -0.3272 1.7185 1.7185 2.0251 2.0251 2.0382 2.0382 2.0496 2.0496 2.3565 2.3565 2.3627 2.3627 2.3886 2.3886 4.5859 4.5859 5.5047 5.5047 5.6000 5.6000 5.6223 5.6223 6.0465 6.0465 6.1237 6.1237 6.1432 6.1432 6.5280 6.5280 6.5815 6.5815 7.2876 7.2876 10.1783 10.1783 k = 0.0000 0.0833-0.0000 ( 5570 PWs) bands (ev): -17.3432 -17.3432 -17.0532 -17.0532 -17.0465 -17.0465 -15.1066 -15.1066 -15.0972 -15.0972 -15.0970 -15.0970 -6.9658 -6.9658 -6.9447 -6.9447 -6.6598 -6.6598 -5.8124 -5.8124 -5.8087 -5.8087 -3.7219 -3.7219 -3.6475 -3.6475 -3.6409 -3.6409 -2.5546 -2.5546 -2.5385 -2.5385 -1.9899 -1.9899 -1.9140 -1.9140 -1.8886 -1.8886 -1.8798 -1.8798 -1.8437 -1.8437 -1.8193 -1.8193 -1.4749 -1.4749 -1.4547 -1.4547 -1.4258 -1.4258 -0.3743 -0.3743 -0.3502 -0.3502 -0.3267 -0.3267 1.7366 1.7366 2.0169 2.0169 2.0381 2.0381 2.0501 2.0501 2.3499 2.3499 2.3591 2.3591 2.3845 2.3845 4.5894 4.5894 5.5183 5.5183 5.6084 5.6084 5.6438 5.6438 6.0401 6.0401 6.1205 6.1205 6.1480 6.1480 6.5225 6.5225 6.6046 6.6046 7.3012 7.3012 10.1748 10.1748 k = 0.0000 0.1000-0.0000 ( 5578 PWs) bands (ev): -17.3407 -17.3407 -17.0549 -17.0549 -17.0453 -17.0453 -15.1107 -15.1107 -15.0972 -15.0972 -15.0970 -15.0970 -6.9635 -6.9635 -6.9341 -6.9341 -6.6532 -6.6532 -5.8140 -5.8140 -5.8088 -5.8088 -3.7221 -3.7221 -3.6510 -3.6510 -3.6414 -3.6414 -2.5617 -2.5617 -2.5385 -2.5385 -2.0213 -2.0213 -1.9173 -1.9173 -1.8876 -1.8876 -1.8766 -1.8766 -1.8580 -1.8580 -1.8196 -1.8196 -1.4736 -1.4736 -1.4458 -1.4458 -1.4069 -1.4069 -0.3813 -0.3813 -0.3602 -0.3602 -0.3257 -0.3257 1.7577 1.7577 2.0065 2.0065 2.0377 2.0377 2.0512 2.0512 2.3423 2.3423 2.3547 2.3547 2.3801 2.3801 4.5944 4.5944 5.5331 5.5331 5.6185 5.6185 5.6702 5.6702 6.0307 6.0307 6.1189 6.1189 6.1542 6.1542 6.5158 6.5158 6.6317 6.6317 7.3176 7.3176 10.1705 10.1705 k = 0.0000 0.1167-0.0000 ( 5578 PWs) bands (ev): -17.3377 -17.3377 -17.0569 -17.0569 -17.0440 -17.0440 -15.1155 -15.1155 -15.0973 -15.0973 -15.0970 -15.0970 -6.9608 -6.9608 -6.9224 -6.9224 -6.6447 -6.6447 -5.8159 -5.8159 -5.8088 -5.8088 -3.7224 -3.7224 -3.6550 -3.6550 -3.6421 -3.6421 -2.5700 -2.5700 -2.5385 -2.5385 -2.0552 -2.0552 -1.9211 -1.9211 -1.8895 -1.8895 -1.8754 -1.8754 -1.8702 -1.8702 -1.8197 -1.8197 -1.4724 -1.4724 -1.4351 -1.4351 -1.3857 -1.3857 -0.3898 -0.3898 -0.3716 -0.3716 -0.3239 -0.3239 1.7814 1.7814 1.9938 1.9938 2.0370 2.0370 2.0529 2.0529 2.3339 2.3339 2.3493 2.3493 2.3755 2.3755 4.6012 4.6012 5.5487 5.5487 5.6301 5.6301 5.7010 5.7010 6.0184 6.0184 6.1191 6.1191 6.1620 6.1620 6.5081 6.5081 6.6622 6.6622 7.3368 7.3368 10.1653 10.1653 k = 0.0000 0.1333-0.0000 ( 5594 PWs) bands (ev): -17.3344 -17.3344 -17.0593 -17.0593 -17.0424 -17.0424 -15.1208 -15.1208 -15.0973 -15.0973 -15.0971 -15.0971 -6.9577 -6.9577 -6.9101 -6.9101 -6.6341 -6.6341 -5.8180 -5.8180 -5.8089 -5.8089 -3.7227 -3.7227 -3.6596 -3.6596 -3.6429 -3.6429 -2.5796 -2.5796 -2.5387 -2.5387 -2.0914 -2.0914 -1.9278 -1.9278 -1.9012 -1.9012 -1.8779 -1.8779 -1.8687 -1.8687 -1.8199 -1.8199 -1.4713 -1.4713 -1.4229 -1.4229 -1.3628 -1.3628 -0.3994 -0.3994 -0.3844 -0.3844 -0.3215 -0.3215 1.8071 1.8071 1.9787 1.9787 2.0360 2.0360 2.0552 2.0552 2.3250 2.3250 2.3431 2.3431 2.3707 2.3707 4.6101 4.6101 5.5648 5.5648 5.6429 5.6429 5.7354 5.7354 6.0040 6.0040 6.1208 6.1208 6.1716 6.1716 6.4993 6.4993 6.6954 6.6954 7.3588 7.3588 10.1592 10.1592 k = 0.0000 0.1500-0.0000 ( 5594 PWs) bands (ev): -17.3306 -17.3306 -17.0619 -17.0619 -17.0407 -17.0407 -15.1267 -15.1267 -15.0973 -15.0973 -15.0971 -15.0971 -6.9543 -6.9543 -6.8977 -6.8977 -6.6210 -6.6210 -5.8204 -5.8204 -5.8090 -5.8090 -3.7231 -3.7231 -3.6648 -3.6648 -3.6437 -3.6437 -2.5903 -2.5903 -2.5387 -2.5387 -2.1301 -2.1301 -1.9424 -1.9424 -1.9121 -1.9121 -1.8765 -1.8765 -1.8655 -1.8655 -1.8199 -1.8199 -1.4702 -1.4702 -1.4092 -1.4092 -1.3386 -1.3386 -0.4101 -0.4101 -0.3984 -0.3984 -0.3185 -0.3185 1.8345 1.8345 1.9615 1.9615 2.0347 2.0347 2.0580 2.0580 2.3160 2.3160 2.3362 2.3362 2.3657 2.3657 4.6213 4.6213 5.5811 5.5811 5.6568 5.6568 5.7720 5.7720 5.9889 5.9889 6.1234 6.1234 6.1831 6.1831 6.4898 6.4898 6.7307 6.7307 7.3836 7.3836 10.1523 10.1523 k = 0.0000 0.1667-0.0000 ( 5582 PWs) bands (ev): -17.3265 -17.3265 -17.0649 -17.0649 -17.0389 -17.0389 -15.1330 -15.1330 -15.0974 -15.0974 -15.0972 -15.0972 -6.9506 -6.9506 -6.8855 -6.8855 -6.6050 -6.6050 -5.8230 -5.8230 -5.8091 -5.8091 -3.7236 -3.7236 -3.6705 -3.6705 -3.6447 -3.6447 -2.6021 -2.6021 -2.5387 -2.5387 -2.1713 -2.1713 -1.9646 -1.9646 -1.9169 -1.9169 -1.8740 -1.8740 -1.8622 -1.8622 -1.8199 -1.8199 -1.4692 -1.4692 -1.3941 -1.3941 -1.3135 -1.3135 -0.4216 -0.4216 -0.4137 -0.4137 -0.3149 -0.3149 1.8629 1.8629 1.9420 1.9420 2.0331 2.0331 2.0612 2.0612 2.3070 2.3070 2.3286 2.3286 2.3606 2.3606 4.6352 4.6352 5.5976 5.5976 5.6714 5.6714 5.8087 5.8087 5.9750 5.9750 6.1266 6.1266 6.1965 6.1965 6.4796 6.4796 6.7675 6.7675 7.4112 7.4112 10.1446 10.1446 k = 0.0000 0.1833-0.0000 ( 5582 PWs) bands (ev): -17.3220 -17.3220 -17.0681 -17.0681 -17.0370 -17.0370 -15.1397 -15.1397 -15.0974 -15.0974 -15.0972 -15.0972 -6.9467 -6.9467 -6.8741 -6.8741 -6.5861 -6.5861 -5.8258 -5.8258 -5.8093 -5.8093 -3.7241 -3.7241 -3.6767 -3.6767 -3.6458 -3.6458 -2.6150 -2.6150 -2.5389 -2.5389 -2.2150 -2.2150 -1.9892 -1.9892 -1.9193 -1.9193 -1.8712 -1.8712 -1.8589 -1.8589 -1.8199 -1.8199 -1.4682 -1.4682 -1.3777 -1.3777 -1.2877 -1.2877 -0.4340 -0.4340 -0.4298 -0.4298 -0.3107 -0.3107 1.8918 1.8918 1.9206 1.9206 2.0313 2.0313 2.0648 2.0648 2.2983 2.2983 2.3206 2.3206 2.3553 2.3553 4.6517 4.6517 5.6142 5.6142 5.6863 5.6863 5.8405 5.8405 5.9669 5.9669 6.1302 6.1302 6.2120 6.2120 6.4690 6.4690 6.8050 6.8050 7.4415 7.4415 10.1361 10.1361 k = 0.0000 0.2000-0.0000 ( 5594 PWs) bands (ev): -17.3171 -17.3171 -17.0716 -17.0716 -17.0349 -17.0349 -15.1467 -15.1467 -15.0975 -15.0975 -15.0973 -15.0973 -6.9425 -6.9425 -6.8637 -6.8637 -6.5640 -6.5640 -5.8288 -5.8288 -5.8095 -5.8095 -3.7248 -3.7248 -3.6834 -3.6834 -3.6470 -3.6470 -2.6290 -2.6290 -2.5390 -2.5390 -2.2612 -2.2612 -2.0139 -2.0139 -1.9207 -1.9207 -1.8682 -1.8682 -1.8556 -1.8556 -1.8198 -1.8198 -1.4672 -1.4672 -1.3601 -1.3601 -1.2617 -1.2617 -0.4490 -0.4490 -0.4450 -0.4450 -0.3061 -0.3061 1.8970 1.8970 1.9212 1.9212 2.0293 2.0293 2.0687 2.0687 2.2901 2.2901 2.3122 2.3122 2.3498 2.3498 4.6712 4.6712 5.6308 5.6308 5.7013 5.7013 5.8584 5.8584 5.9730 5.9730 6.1339 6.1339 6.2292 6.2292 6.4586 6.4586 6.8425 6.8425 7.4747 7.4747 10.1269 10.1269 k = 0.0000 0.2167-0.0000 ( 5586 PWs) bands (ev): -17.3119 -17.3119 -17.0754 -17.0754 -17.0327 -17.0327 -15.1540 -15.1540 -15.0975 -15.0975 -15.0973 -15.0973 -6.9381 -6.9381 -6.8545 -6.8545 -6.5387 -6.5387 -5.8320 -5.8320 -5.8097 -5.8097 -3.7256 -3.7256 -3.6906 -3.6906 -3.6483 -3.6483 -2.6437 -2.6437 -2.5392 -2.5392 -2.3094 -2.3094 -2.0376 -2.0376 -1.9215 -1.9215 -1.8650 -1.8650 -1.8524 -1.8524 -1.8197 -1.8197 -1.4664 -1.4664 -1.3413 -1.3413 -1.2355 -1.2355 -0.4674 -0.4674 -0.4583 -0.4583 -0.3009 -0.3009 1.8722 1.8722 1.9500 1.9500 2.0270 2.0270 2.0730 2.0730 2.2824 2.2824 2.3037 2.3037 2.3441 2.3441 4.6935 4.6935 5.6474 5.6474 5.7160 5.7160 5.8575 5.8575 5.9972 5.9972 6.1376 6.1376 6.2481 6.2481 6.4492 6.4492 6.8794 6.8794 7.5106 7.5106 10.1170 10.1170 k = 0.0000 0.2333-0.0000 ( 5590 PWs) bands (ev): -17.3065 -17.3065 -17.0795 -17.0795 -17.0305 -17.0305 -15.1615 -15.1615 -15.0976 -15.0976 -15.0974 -15.0974 -6.9336 -6.9336 -6.8465 -6.8465 -6.5106 -6.5106 -5.8354 -5.8354 -5.8100 -5.8100 -3.7267 -3.7267 -3.6980 -3.6980 -3.6497 -3.6497 -2.6593 -2.6593 -2.5395 -2.5395 -2.3592 -2.3592 -2.0598 -2.0598 -1.9219 -1.9219 -1.8618 -1.8618 -1.8493 -1.8493 -1.8196 -1.8196 -1.4656 -1.4656 -1.3215 -1.3215 -1.2093 -1.2093 -0.4872 -0.4872 -0.4715 -0.4715 -0.2953 -0.2953 1.8461 1.8461 1.9783 1.9783 2.0246 2.0246 2.0776 2.0776 2.2754 2.2754 2.2951 2.2951 2.3382 2.3382 4.7187 4.7187 5.6638 5.6638 5.7303 5.7303 5.8452 5.8452 6.0308 6.0308 6.1414 6.1414 6.2683 6.2683 6.4418 6.4418 6.9150 6.9150 7.5491 7.5491 10.1066 10.1066 k = 0.0000 0.2500-0.0000 ( 5606 PWs) bands (ev): -17.3007 -17.3007 -17.0838 -17.0838 -17.0283 -17.0283 -15.1691 -15.1691 -15.0977 -15.0977 -15.0974 -15.0974 -6.9290 -6.9290 -6.8398 -6.8398 -6.4798 -6.4798 -5.8389 -5.8389 -5.8104 -5.8104 -3.7283 -3.7283 -3.7055 -3.7055 -3.6513 -3.6513 -2.6757 -2.6757 -2.5400 -2.5400 -2.4099 -2.4099 -2.0803 -2.0803 -1.9221 -1.9221 -1.8586 -1.8586 -1.8462 -1.8462 -1.8194 -1.8194 -1.4649 -1.4649 -1.3008 -1.3008 -1.1834 -1.1834 -0.5081 -0.5081 -0.4848 -0.4848 -0.2893 -0.2893 1.8191 1.8191 2.0056 2.0056 2.0219 2.0219 2.0825 2.0825 2.2689 2.2689 2.2866 2.2866 2.3320 2.3320 4.7465 4.7465 5.6798 5.6798 5.7439 5.7439 5.8284 5.8284 6.0650 6.0650 6.1450 6.1450 6.2897 6.2897 6.4382 6.4382 6.9488 6.9488 7.5900 7.5900 10.0958 10.0958 k = 0.0000 0.2667-0.0000 ( 5586 PWs) bands (ev): -17.2948 -17.2948 -17.0883 -17.0883 -17.0260 -17.0260 -15.1766 -15.1766 -15.0977 -15.0977 -15.0975 -15.0975 -6.9244 -6.9244 -6.8343 -6.8343 -6.4468 -6.4468 -5.8425 -5.8425 -5.8109 -5.8109 -3.7310 -3.7310 -3.7125 -3.7125 -3.6528 -3.6528 -2.6925 -2.6925 -2.5407 -2.5407 -2.4604 -2.4604 -2.0989 -2.0989 -1.9218 -1.9218 -1.8554 -1.8554 -1.8432 -1.8432 -1.8192 -1.8192 -1.4644 -1.4644 -1.2790 -1.2790 -1.1577 -1.1577 -0.5300 -0.5300 -0.4982 -0.4982 -0.2829 -0.2829 1.7916 1.7916 2.0190 2.0190 2.0319 2.0319 2.0876 2.0876 2.2630 2.2630 2.2784 2.2784 2.3257 2.3257 4.7770 4.7770 5.6953 5.6953 5.7566 5.7566 5.8104 5.8104 6.0945 6.0945 6.1485 6.1485 6.3120 6.3120 6.4407 6.4407 6.9805 6.9805 7.6330 7.6330 10.0848 10.0848 k = 0.0000 0.2833-0.0000 ( 5594 PWs) bands (ev): -17.2886 -17.2886 -17.0931 -17.0931 -17.0237 -17.0237 -15.1841 -15.1841 -15.0978 -15.0978 -15.0975 -15.0975 -6.9198 -6.9198 -6.8297 -6.8297 -6.4121 -6.4121 -5.8463 -5.8463 -5.8114 -5.8114 -3.7359 -3.7359 -3.7178 -3.7178 -3.6545 -3.6545 -2.7101 -2.7101 -2.5431 -2.5431 -2.5085 -2.5085 -2.1159 -2.1159 -1.9214 -1.9214 -1.8522 -1.8522 -1.8404 -1.8404 -1.8190 -1.8190 -1.4640 -1.4640 -1.2565 -1.2565 -1.1325 -1.1325 -0.5528 -0.5528 -0.5116 -0.5116 -0.2763 -0.2763 1.7639 1.7639 2.0161 2.0161 2.0567 2.0567 2.0930 2.0930 2.2576 2.2576 2.2705 2.2705 2.3192 2.3192 4.8097 4.8097 5.7096 5.7096 5.7685 5.7685 5.7929 5.7929 6.1156 6.1156 6.1515 6.1515 6.3349 6.3349 6.4513 6.4513 7.0095 7.0095 7.6775 7.6775 10.0737 10.0737 k = 0.0000 0.3000-0.0000 ( 5578 PWs) bands (ev): -17.2822 -17.2822 -17.0980 -17.0980 -17.0215 -17.0215 -15.1914 -15.1914 -15.0978 -15.0978 -15.0975 -15.0975 -6.9152 -6.9152 -6.8260 -6.8260 -6.3761 -6.3761 -5.8501 -5.8501 -5.8121 -5.8121 -3.7434 -3.7434 -3.7211 -3.7211 -3.6562 -3.6562 -2.7282 -2.7282 -2.5651 -2.5651 -2.5353 -2.5353 -2.1309 -2.1309 -1.9207 -1.9207 -1.8492 -1.8492 -1.8376 -1.8376 -1.8186 -1.8186 -1.4637 -1.4637 -1.2332 -1.2332 -1.1079 -1.1079 -0.5764 -0.5764 -0.5249 -0.5249 -0.2695 -0.2695 1.7364 1.7364 2.0130 2.0130 2.0799 2.0799 2.0985 2.0985 2.2528 2.2528 2.2631 2.2631 2.3126 2.3126 4.8444 4.8444 5.7215 5.7215 5.7779 5.7779 5.7794 5.7794 6.1267 6.1267 6.1534 6.1534 6.3582 6.3582 6.4712 6.4712 7.0358 7.0358 7.7232 7.7232 10.0627 10.0627 k = 0.0000 0.3167-0.0000 ( 5578 PWs) bands (ev): -17.2758 -17.2758 -17.1032 -17.1032 -17.0193 -17.0193 -15.1985 -15.1985 -15.0979 -15.0979 -15.0976 -15.0976 -6.9107 -6.9107 -6.8230 -6.8230 -6.3393 -6.3393 -5.8541 -5.8541 -5.8128 -5.8128 -3.7526 -3.7526 -3.7230 -3.7230 -3.6579 -3.6579 -2.7474 -2.7474 -2.6080 -2.6080 -2.5383 -2.5383 -2.1444 -2.1444 -1.9199 -1.9199 -1.8464 -1.8464 -1.8349 -1.8349 -1.8183 -1.8183 -1.4635 -1.4635 -1.2091 -1.2091 -1.0839 -1.0839 -0.6007 -0.6007 -0.5382 -0.5382 -0.2626 -0.2626 1.7094 1.7094 2.0098 2.0098 2.1015 2.1015 2.1043 2.1043 2.2484 2.2484 2.2562 2.2562 2.3058 2.3058 4.8806 4.8806 5.7271 5.7271 5.7695 5.7695 5.7894 5.7894 6.1278 6.1278 6.1546 6.1546 6.3816 6.3816 6.4994 6.4994 7.0593 7.0593 7.7691 7.7691 10.0520 10.0520 k = 0.0000 0.3333-0.0000 ( 5578 PWs) bands (ev): -17.2692 -17.2692 -17.1085 -17.1085 -17.0173 -17.0173 -15.2053 -15.2053 -15.0979 -15.0979 -15.0976 -15.0976 -6.9063 -6.9063 -6.8206 -6.8206 -6.3024 -6.3024 -5.8582 -5.8582 -5.8137 -5.8137 -3.7630 -3.7630 -3.7243 -3.7243 -3.6596 -3.6596 -2.7680 -2.7680 -2.6490 -2.6490 -2.5392 -2.5392 -2.1563 -2.1563 -1.9191 -1.9191 -1.8437 -1.8437 -1.8324 -1.8324 -1.8180 -1.8180 -1.4635 -1.4635 -1.1845 -1.1845 -1.0607 -1.0607 -0.6257 -0.6257 -0.5514 -0.5514 -0.2556 -0.2556 1.6834 1.6834 2.0066 2.0066 2.1100 2.1100 2.1213 2.1213 2.2443 2.2443 2.2500 2.2500 2.2991 2.2991 4.9178 4.9178 5.7223 5.7223 5.7721 5.7721 5.7984 5.7984 6.1194 6.1194 6.1560 6.1560 6.4045 6.4045 6.5339 6.5339 7.0798 7.0798 7.8148 7.8148 10.0418 10.0418 k = 0.0000 0.3500-0.0000 ( 5566 PWs) bands (ev): -17.2626 -17.2626 -17.1139 -17.1139 -17.0153 -17.0153 -15.2117 -15.2117 -15.0980 -15.0980 -15.0977 -15.0977 -6.9022 -6.9022 -6.8188 -6.8188 -6.2657 -6.2657 -5.8624 -5.8624 -5.8147 -5.8147 -3.7738 -3.7738 -3.7253 -3.7253 -3.6613 -3.6613 -2.7904 -2.7904 -2.6847 -2.6847 -2.5397 -2.5397 -2.1668 -2.1668 -1.9181 -1.9181 -1.8413 -1.8413 -1.8300 -1.8300 -1.8176 -1.8176 -1.4635 -1.4635 -1.1592 -1.1592 -1.0385 -1.0385 -0.6513 -0.6513 -0.5644 -0.5644 -0.2488 -0.2488 1.6587 1.6587 2.0034 2.0034 2.1159 2.1159 2.1393 2.1393 2.2403 2.2403 2.2448 2.2448 2.2923 2.2923 4.9555 4.9555 5.7119 5.7119 5.7810 5.7810 5.8064 5.8064 6.1041 6.1041 6.1578 6.1578 6.4265 6.4265 6.5718 6.5718 7.0975 7.0975 7.8593 7.8593 10.0322 10.0322 k = 0.0000 0.3667-0.0000 ( 5570 PWs) bands (ev): -17.2560 -17.2560 -17.1193 -17.1193 -17.0134 -17.0134 -15.2176 -15.2176 -15.0980 -15.0980 -15.0977 -15.0977 -6.8983 -6.8983 -6.8173 -6.8173 -6.2300 -6.2300 -5.8668 -5.8668 -5.8158 -5.8158 -3.7850 -3.7850 -3.7261 -3.7261 -3.6629 -3.6629 -2.8149 -2.8149 -2.7143 -2.7143 -2.5402 -2.5402 -2.1759 -2.1759 -1.9171 -1.9171 -1.8391 -1.8391 -1.8278 -1.8278 -1.8173 -1.8173 -1.4637 -1.4637 -1.1335 -1.1335 -1.0174 -1.0174 -0.6774 -0.6774 -0.5771 -0.5771 -0.2423 -0.2423 1.6355 1.6355 2.0003 2.0003 2.1218 2.1218 2.1553 2.1553 2.2361 2.2361 2.2408 2.2408 2.2856 2.2856 4.9929 4.9929 5.7008 5.7008 5.7916 5.7916 5.8136 5.8136 6.0841 6.0841 6.1596 6.1596 6.4472 6.4472 6.6109 6.6109 7.1125 7.1125 7.9018 7.9018 10.0234 10.0234 k = 0.0000 0.3833-0.0000 ( 5570 PWs) bands (ev): -17.2495 -17.2495 -17.1248 -17.1248 -17.0117 -17.0117 -15.2230 -15.2230 -15.0981 -15.0981 -15.0977 -15.0977 -6.8947 -6.8947 -6.8162 -6.8162 -6.1958 -6.1958 -5.8713 -5.8713 -5.8170 -5.8170 -3.7960 -3.7960 -3.7267 -3.7267 -3.6644 -3.6644 -2.8407 -2.8407 -2.7376 -2.7376 -2.5405 -2.5405 -2.1837 -2.1837 -1.9162 -1.9162 -1.8372 -1.8372 -1.8257 -1.8257 -1.8169 -1.8169 -1.4639 -1.4639 -1.1074 -1.1074 -0.9976 -0.9976 -0.7039 -0.7039 -0.5893 -0.5893 -0.2361 -0.2361 1.6143 1.6143 1.9974 1.9974 2.1276 2.1276 2.1695 2.1695 2.2319 2.2319 2.2378 2.2378 2.2790 2.2790 5.0292 5.0292 5.6910 5.6910 5.8019 5.8019 5.8198 5.8198 6.0612 6.0612 6.1611 6.1611 6.4663 6.4663 6.6493 6.6493 7.1248 7.1248 7.9416 7.9416 10.0156 10.0156 k = 0.0000 0.4000-0.0000 ( 5590 PWs) bands (ev): -17.2432 -17.2432 -17.1302 -17.1302 -17.0102 -17.0102 -15.2278 -15.2278 -15.0981 -15.0981 -15.0978 -15.0978 -6.8915 -6.8915 -6.8153 -6.8153 -6.1637 -6.1637 -5.8760 -5.8760 -5.8182 -5.8182 -3.8067 -3.8067 -3.7273 -3.7273 -3.6658 -3.6658 -2.8661 -2.8661 -2.7557 -2.7557 -2.5409 -2.5409 -2.1904 -2.1904 -1.9154 -1.9154 -1.8356 -1.8356 -1.8239 -1.8239 -1.8167 -1.8167 -1.4641 -1.4641 -1.0811 -1.0811 -0.9794 -0.9794 -0.7307 -0.7307 -0.6009 -0.6009 -0.2304 -0.2304 1.5952 1.5952 1.9947 1.9947 2.1332 2.1332 2.1818 2.1818 2.2280 2.2280 2.2356 2.2356 2.2727 2.2727 5.0636 5.0636 5.6829 5.6829 5.8114 5.8114 5.8253 5.8253 6.0370 6.0370 6.1623 6.1623 6.4834 6.4834 6.6855 6.6855 7.1347 7.1347 7.9779 7.9779 10.0087 10.0087 k = 0.0000 0.4167-0.0000 ( 5594 PWs) bands (ev): -17.2372 -17.2372 -17.1354 -17.1354 -17.0089 -17.0089 -15.2320 -15.2320 -15.0981 -15.0981 -15.0978 -15.0978 -6.8887 -6.8887 -6.8147 -6.8147 -6.1342 -6.1342 -5.8808 -5.8808 -5.8195 -5.8195 -3.8167 -3.8167 -3.7278 -3.7278 -3.6670 -3.6670 -2.8896 -2.8896 -2.7697 -2.7697 -2.5412 -2.5412 -2.1959 -2.1959 -1.9146 -1.9146 -1.8342 -1.8342 -1.8222 -1.8222 -1.8164 -1.8164 -1.4643 -1.4643 -1.0546 -1.0546 -0.9630 -0.9630 -0.7575 -0.7575 -0.6116 -0.6116 -0.2253 -0.2253 1.5787 1.5787 1.9922 1.9922 2.1385 2.1385 2.1921 2.1921 2.2246 2.2246 2.2339 2.2339 2.2667 2.2667 5.0952 5.0952 5.6771 5.6771 5.8196 5.8196 5.8301 5.8301 6.0126 6.0126 6.1633 6.1633 6.4983 6.4983 6.7185 6.7185 7.1423 7.1423 8.0100 8.0100 10.0029 10.0029 k = 0.0000 0.4333-0.0000 ( 5586 PWs) bands (ev): -17.2316 -17.2316 -17.1403 -17.1403 -17.0078 -17.0078 -15.2354 -15.2354 -15.0982 -15.0982 -15.0978 -15.0978 -6.8863 -6.8863 -6.8143 -6.8143 -6.1082 -6.1082 -5.8857 -5.8857 -5.8206 -5.8206 -3.8255 -3.8255 -3.7282 -3.7282 -3.6681 -3.6681 -2.9099 -2.9099 -2.7805 -2.7805 -2.5414 -2.5414 -2.2003 -2.2003 -1.9138 -1.9138 -1.8331 -1.8331 -1.8207 -1.8207 -1.8162 -1.8162 -1.4646 -1.4646 -1.0283 -1.0283 -0.9487 -0.9487 -0.7841 -0.7841 -0.6211 -0.6211 -0.2209 -0.2209 1.5648 1.5648 1.9902 1.9902 2.1434 2.1434 2.2006 2.2006 2.2218 2.2218 2.2326 2.2326 2.2613 2.2613 5.1229 5.1229 5.6735 5.6735 5.8262 5.8262 5.8344 5.8344 5.9894 5.9894 6.1641 6.1641 6.5109 6.5109 6.7470 6.7470 7.1479 7.1479 8.0372 8.0372 9.9981 9.9981 k = 0.0000 0.4500-0.0000 ( 5574 PWs) bands (ev): -17.2268 -17.2268 -17.1446 -17.1446 -17.0069 -17.0069 -15.2382 -15.2382 -15.0982 -15.0982 -15.0978 -15.0978 -6.8845 -6.8845 -6.8140 -6.8140 -6.0864 -6.0864 -5.8904 -5.8904 -5.8217 -5.8217 -3.8329 -3.8329 -3.7286 -3.7286 -3.6689 -3.6689 -2.9263 -2.9263 -2.7885 -2.7885 -2.5415 -2.5415 -2.2036 -2.2036 -1.9132 -1.9132 -1.8322 -1.8322 -1.8194 -1.8194 -1.8161 -1.8161 -1.4648 -1.4648 -1.0026 -1.0026 -0.9369 -0.9369 -0.8101 -0.8101 -0.6291 -0.6291 -0.2174 -0.2174 1.5537 1.5537 1.9885 1.9885 2.1475 2.1475 2.2071 2.2071 2.2196 2.2196 2.2318 2.2318 2.2567 2.2567 5.1457 5.1457 5.6717 5.6717 5.8309 5.8309 5.8384 5.8384 5.9688 5.9688 6.1647 6.1647 6.5209 6.5209 6.7703 6.7703 7.1518 7.1518 8.0591 8.0591 9.9945 9.9945 k = 0.0000 0.4667-0.0000 ( 5582 PWs) bands (ev): -17.2230 -17.2230 -17.1480 -17.1480 -17.0063 -17.0063 -15.2402 -15.2402 -15.0982 -15.0982 -15.0978 -15.0978 -6.8831 -6.8831 -6.8138 -6.8138 -6.0697 -6.0697 -5.8944 -5.8944 -5.8225 -5.8225 -3.8385 -3.8385 -3.7288 -3.7288 -3.6695 -3.6695 -2.9383 -2.9383 -2.7941 -2.7941 -2.5417 -2.5417 -2.2060 -2.2060 -1.9128 -1.9128 -1.8316 -1.8316 -1.8184 -1.8184 -1.8162 -1.8162 -1.4650 -1.4650 -0.9785 -0.9785 -0.9281 -0.9281 -0.8343 -0.8343 -0.6353 -0.6353 -0.2149 -0.2149 1.5457 1.5457 1.9873 1.9873 2.1507 2.1507 2.2118 2.2118 2.2179 2.2179 2.2313 2.2313 2.2530 2.2530 5.1628 5.1628 5.6713 5.6713 5.8339 5.8339 5.8419 5.8419 5.9523 5.9523 6.1650 6.1650 6.5281 6.5281 6.7875 6.7875 7.1543 7.1543 8.0750 8.0750 9.9919 9.9919 k = 0.0000 0.4833-0.0000 ( 5578 PWs) bands (ev): -17.2205 -17.2205 -17.1503 -17.1503 -17.0059 -17.0059 -15.2414 -15.2414 -15.0982 -15.0982 -15.0978 -15.0978 -6.8823 -6.8823 -6.8137 -6.8137 -6.0591 -6.0591 -5.8973 -5.8973 -5.8230 -5.8230 -3.8419 -3.8419 -3.7289 -3.7289 -3.6699 -3.6699 -2.9455 -2.9455 -2.7974 -2.7974 -2.5417 -2.5417 -2.2074 -2.2074 -1.9125 -1.9125 -1.8312 -1.8312 -1.8176 -1.8176 -1.8164 -1.8164 -1.4651 -1.4651 -0.9590 -0.9590 -0.9226 -0.9226 -0.8541 -0.8541 -0.6391 -0.6391 -0.2133 -0.2133 1.5409 1.5409 1.9865 1.9865 2.1527 2.1527 2.2146 2.2146 2.2169 2.2169 2.2310 2.2310 2.2507 2.2507 5.1733 5.1733 5.6716 5.6716 5.8355 5.8355 5.8443 5.8443 5.9415 5.9415 6.1653 6.1653 6.5325 6.5325 6.7981 6.7981 7.1556 7.1556 8.0847 8.0847 9.9904 9.9904 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -17.2196 -17.2196 -17.1511 -17.1511 -17.0058 -17.0058 -15.2418 -15.2418 -15.0982 -15.0982 -15.0978 -15.0978 -6.8820 -6.8820 -6.8136 -6.8136 -6.0554 -6.0554 -5.8984 -5.8984 -5.8232 -5.8232 -3.8431 -3.8431 -3.7290 -3.7290 -3.6700 -3.6700 -2.9480 -2.9480 -2.7985 -2.7985 -2.5416 -2.5416 -2.2078 -2.2078 -1.9123 -1.9123 -1.8310 -1.8310 -1.8171 -1.8171 -1.8165 -1.8165 -1.4651 -1.4651 -0.9505 -0.9505 -0.9206 -0.9206 -0.8626 -0.8626 -0.6404 -0.6404 -0.2128 -0.2128 1.5393 1.5393 1.9863 1.9863 2.1535 2.1535 2.2155 2.2155 2.2166 2.2166 2.2310 2.2310 2.2499 2.2499 5.1769 5.1769 5.6718 5.6718 5.8360 5.8360 5.8451 5.8451 5.9378 5.9378 6.1653 6.1653 6.5339 6.5339 6.8017 6.8017 7.1561 7.1561 8.0879 8.0879 9.9899 9.9899 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -17.2196 -17.2196 -17.1511 -17.1511 -17.0058 -17.0058 -15.2418 -15.2418 -15.0982 -15.0982 -15.0978 -15.0978 -6.8820 -6.8820 -6.8136 -6.8136 -6.0554 -6.0554 -5.8984 -5.8984 -5.8232 -5.8232 -3.8431 -3.8431 -3.7290 -3.7290 -3.6700 -3.6700 -2.9480 -2.9480 -2.7985 -2.7985 -2.5416 -2.5416 -2.2078 -2.2078 -1.9123 -1.9123 -1.8310 -1.8310 -1.8171 -1.8171 -1.8165 -1.8165 -1.4651 -1.4651 -0.9505 -0.9505 -0.9206 -0.9206 -0.8626 -0.8626 -0.6404 -0.6404 -0.2128 -0.2128 1.5393 1.5393 1.9863 1.9863 2.1535 2.1535 2.2155 2.2155 2.2166 2.2166 2.2310 2.2310 2.2499 2.2499 5.1769 5.1769 5.6718 5.6718 5.8360 5.8360 5.8451 5.8451 5.9378 5.9378 6.1653 6.1653 6.5339 6.5339 6.8017 6.8017 7.1561 7.1561 8.0879 8.0879 9.9899 9.9899 k = 0.0167 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.2194 -17.2194 -17.1511 -17.1511 -17.0059 -17.0059 -15.2418 -15.2418 -15.0986 -15.0986 -15.0979 -15.0979 -6.8818 -6.8818 -6.8121 -6.8121 -6.0554 -6.0554 -5.8984 -5.8984 -5.8233 -5.8233 -3.8431 -3.8431 -3.7290 -3.7290 -3.6701 -3.6701 -2.9484 -2.9484 -2.7986 -2.7986 -2.5422 -2.5422 -2.2078 -2.2078 -1.9125 -1.9125 -1.8361 -1.8361 -1.8241 -1.8241 -1.8089 -1.8089 -1.4642 -1.4642 -0.9568 -0.9568 -0.9211 -0.9211 -0.8608 -0.8608 -0.6331 -0.6331 -0.2135 -0.2135 1.5383 1.5383 1.9725 1.9725 2.1541 2.1541 2.1849 2.1849 2.2303 2.2303 2.2468 2.2468 2.2642 2.2642 5.1786 5.1786 5.6734 5.6734 5.8367 5.8367 5.8451 5.8451 5.9382 5.9382 6.1658 6.1658 6.5337 6.5337 6.8016 6.8016 7.1578 7.1578 8.0878 8.0878 9.9893 9.9893 k = 0.0333 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.2187 -17.2187 -17.1510 -17.1510 -17.0060 -17.0060 -15.2419 -15.2419 -15.0997 -15.0997 -15.0979 -15.0979 -6.8812 -6.8812 -6.8074 -6.8074 -6.0551 -6.0551 -5.8983 -5.8983 -5.8236 -5.8236 -3.8432 -3.8432 -3.7289 -3.7289 -3.6704 -3.6704 -2.9497 -2.9497 -2.7986 -2.7986 -2.5434 -2.5434 -2.2073 -2.2073 -1.9126 -1.9126 -1.8515 -1.8515 -1.8256 -1.8256 -1.8046 -1.8046 -1.4615 -1.4615 -0.9735 -0.9735 -0.9220 -0.9220 -0.8558 -0.8558 -0.6127 -0.6127 -0.2157 -0.2157 1.5352 1.5352 1.9362 1.9362 2.1560 2.1560 2.1653 2.1653 2.2287 2.2287 2.2497 2.2497 2.3172 2.3172 5.1837 5.1837 5.6784 5.6784 5.8390 5.8390 5.8452 5.8452 5.9395 5.9395 6.1673 6.1673 6.5332 6.5332 6.8013 6.8013 7.1632 7.1632 8.0873 8.0873 9.9875 9.9875 k = 0.0500 0.5000-0.0000 ( 5580 PWs) bands (ev): -17.2175 -17.2175 -17.1509 -17.1509 -17.0063 -17.0063 -15.2421 -15.2421 -15.1016 -15.1016 -15.0979 -15.0979 -6.8802 -6.8802 -6.7997 -6.7997 -6.0547 -6.0547 -5.8982 -5.8982 -5.8240 -5.8240 -3.8434 -3.8434 -3.7287 -3.7287 -3.6710 -3.6710 -2.9519 -2.9519 -2.7988 -2.7988 -2.5456 -2.5456 -2.2064 -2.2064 -1.9129 -1.9129 -1.8725 -1.8725 -1.8257 -1.8257 -1.8046 -1.8046 -1.4571 -1.4571 -0.9967 -0.9967 -0.9232 -0.9232 -0.8491 -0.8491 -0.5824 -0.5824 -0.2194 -0.2194 1.5301 1.5301 1.8868 1.8868 2.1518 2.1518 2.1595 2.1595 2.2265 2.2265 2.2517 2.2517 2.3773 2.3773 5.1921 5.1921 5.6866 5.6866 5.8428 5.8428 5.8455 5.8455 5.9416 5.9416 6.1697 6.1697 6.5323 6.5323 6.8009 6.8009 7.1721 7.1721 8.0866 8.0866 9.9844 9.9844 k = 0.0667 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.2159 -17.2159 -17.1507 -17.1507 -17.0067 -17.0067 -15.2423 -15.2423 -15.1042 -15.1042 -15.0979 -15.0979 -6.8788 -6.8788 -6.7889 -6.7889 -6.0540 -6.0540 -5.8981 -5.8981 -5.8245 -5.8245 -3.8436 -3.8436 -3.7286 -3.7286 -3.6718 -3.6718 -2.9548 -2.9548 -2.7989 -2.7989 -2.5486 -2.5486 -2.2053 -2.2053 -1.9133 -1.9133 -1.8975 -1.8975 -1.8257 -1.8257 -1.8087 -1.8087 -1.4510 -1.4510 -1.0228 -1.0228 -0.9241 -0.9241 -0.8411 -0.8411 -0.5454 -0.5454 -0.2245 -0.2245 1.5232 1.5232 1.8311 1.8311 2.1411 2.1411 2.1638 2.1638 2.2239 2.2239 2.2538 2.2538 2.4405 2.4405 5.2036 5.2036 5.6978 5.6978 5.8459 5.8459 5.8483 5.8483 5.9445 5.9445 6.1733 6.1733 6.5311 6.5311 6.8002 6.8002 7.1844 7.1844 8.0857 8.0857 9.9801 9.9801 k = 0.0833 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.2138 -17.2138 -17.1505 -17.1505 -17.0072 -17.0072 -15.2426 -15.2426 -15.1075 -15.1075 -15.0979 -15.0979 -6.8770 -6.8770 -6.7752 -6.7752 -6.0533 -6.0533 -5.8980 -5.8980 -5.8252 -5.8252 -3.8440 -3.8440 -3.7283 -3.7283 -3.6727 -3.6727 -2.9585 -2.9585 -2.7992 -2.7992 -2.5524 -2.5524 -2.2039 -2.2039 -1.9261 -1.9261 -1.9137 -1.9137 -1.8270 -1.8270 -1.8158 -1.8158 -1.4433 -1.4433 -1.0496 -1.0496 -0.9248 -0.9248 -0.8321 -0.8321 -0.5040 -0.5040 -0.2311 -0.2311 1.5146 1.5146 1.7727 1.7727 2.1305 2.1305 2.1692 2.1692 2.2213 2.2213 2.2559 2.2559 2.5052 2.5052 5.2180 5.2180 5.7119 5.7119 5.8469 5.8469 5.8550 5.8550 5.9482 5.9482 6.1783 6.1783 6.5295 6.5295 6.7991 6.7991 7.2000 7.2000 8.0845 8.0845 9.9743 9.9743 k = 0.1000 0.5000-0.0000 ( 5580 PWs) bands (ev): -17.2113 -17.2113 -17.1502 -17.1502 -17.0079 -17.0079 -15.2430 -15.2430 -15.1114 -15.1114 -15.0980 -15.0980 -6.8748 -6.8748 -6.7587 -6.7587 -6.0524 -6.0524 -5.8979 -5.8979 -5.8261 -5.8261 -3.8443 -3.8443 -3.7280 -3.7280 -3.6739 -3.6739 -2.9629 -2.9629 -2.7995 -2.7995 -2.5572 -2.5572 -2.2022 -2.2022 -1.9582 -1.9582 -1.9142 -1.9142 -1.8353 -1.8353 -1.8198 -1.8198 -1.4341 -1.4341 -1.0757 -1.0757 -0.9249 -0.9249 -0.8223 -0.8223 -0.4599 -0.4599 -0.2390 -0.2390 1.5044 1.5044 1.7136 1.7136 2.1194 2.1194 2.1755 2.1755 2.2187 2.2187 2.2579 2.2579 2.5704 2.5704 5.2349 5.2349 5.7284 5.7284 5.8486 5.8486 5.8632 5.8632 5.9525 5.9525 6.1847 6.1847 6.5276 6.5276 6.7976 6.7976 7.2189 7.2189 8.0832 8.0832 9.9670 9.9670 k = 0.1167 0.5000-0.0000 ( 5586 PWs) bands (ev): -17.2083 -17.2083 -17.1499 -17.1499 -17.0087 -17.0087 -15.2434 -15.2434 -15.1160 -15.1160 -15.0980 -15.0980 -6.8723 -6.8723 -6.7394 -6.7394 -6.0513 -6.0513 -5.8977 -5.8977 -5.8270 -5.8270 -3.8448 -3.8448 -3.7277 -3.7277 -3.6752 -3.6752 -2.9678 -2.9678 -2.8000 -2.8000 -2.5630 -2.5630 -2.2004 -2.2004 -1.9936 -1.9936 -1.9148 -1.9148 -1.8512 -1.8512 -1.8199 -1.8199 -1.4236 -1.4236 -1.1002 -1.1002 -0.9244 -0.9244 -0.8118 -0.8118 -0.4141 -0.4141 -0.2483 -0.2483 1.4929 1.4929 1.6547 1.6547 2.1072 2.1072 2.1823 2.1823 2.2163 2.2163 2.2597 2.2597 2.6355 2.6355 5.2540 5.2540 5.7469 5.7469 5.8513 5.8513 5.8727 5.8727 5.9573 5.9573 6.1930 6.1930 6.5252 6.5252 6.7956 6.7956 7.2408 7.2408 8.0819 8.0819 9.9582 9.9582 k = 0.1333 0.5000-0.0000 ( 5590 PWs) bands (ev): -17.2049 -17.2049 -17.1496 -17.1496 -17.0096 -17.0096 -15.2438 -15.2438 -15.1211 -15.1211 -15.0981 -15.0981 -6.8695 -6.8695 -6.7176 -6.7176 -6.0501 -6.0501 -5.8975 -5.8975 -5.8280 -5.8280 -3.8453 -3.8453 -3.7273 -3.7273 -3.6767 -3.6767 -2.9732 -2.9732 -2.8006 -2.8006 -2.5696 -2.5696 -2.1985 -2.1985 -2.0322 -2.0322 -1.9156 -1.9156 -1.8711 -1.8711 -1.8189 -1.8189 -1.4117 -1.4117 -1.1225 -1.1225 -0.9232 -0.9232 -0.8007 -0.8007 -0.3673 -0.3673 -0.2589 -0.2589 1.4801 1.4801 1.5967 1.5967 2.0939 2.0939 2.1894 2.1894 2.2144 2.2144 2.2613 2.2613 2.7000 2.7000 5.2750 5.2750 5.7667 5.7667 5.8553 5.8553 5.8834 5.8834 5.9628 5.9628 6.2034 6.2034 6.5225 6.5225 6.7928 6.7928 7.2653 7.2653 8.0807 8.0807 9.9476 9.9476 k = 0.1500 0.5000-0.0000 ( 5586 PWs) bands (ev): -17.2012 -17.2012 -17.1493 -17.1493 -17.0106 -17.0106 -15.2443 -15.2443 -15.1267 -15.1267 -15.0981 -15.0981 -6.8663 -6.8663 -6.6933 -6.6933 -6.0489 -6.0489 -5.8972 -5.8972 -5.8291 -5.8291 -3.8458 -3.8458 -3.7269 -3.7269 -3.6784 -3.6784 -2.9791 -2.9791 -2.8013 -2.8013 -2.5772 -2.5772 -2.1967 -2.1967 -2.0736 -2.0736 -1.9169 -1.9169 -1.8930 -1.8930 -1.8176 -1.8176 -1.3987 -1.3987 -1.1424 -1.1424 -0.9212 -0.9212 -0.7892 -0.7892 -0.3202 -0.3202 -0.2708 -0.2708 1.4662 1.4662 1.5403 1.5403 2.0794 2.0794 2.1960 2.1960 2.2136 2.2136 2.2626 2.2626 2.7635 2.7635 5.2976 5.2976 5.7871 5.7871 5.8610 5.8610 5.8954 5.8954 5.9687 5.9687 6.2164 6.2164 6.5193 6.5193 6.7893 6.7893 7.2923 7.2923 8.0797 8.0797 9.9353 9.9353 k = 0.1667 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1970 -17.1970 -17.1489 -17.1489 -17.0118 -17.0118 -15.2449 -15.2449 -15.1328 -15.1328 -15.0982 -15.0982 -6.8629 -6.8629 -6.6668 -6.6668 -6.0475 -6.0475 -5.8970 -5.8970 -5.8302 -5.8302 -3.8464 -3.8464 -3.7264 -3.7264 -3.6801 -3.6801 -2.9853 -2.9853 -2.8021 -2.8021 -2.5858 -2.5858 -2.1957 -2.1957 -2.1172 -2.1172 -1.9245 -1.9245 -1.9104 -1.9104 -1.8160 -1.8160 -1.3846 -1.3846 -1.1600 -1.1600 -0.9185 -0.9185 -0.7775 -0.7775 -0.2839 -0.2839 -0.2731 -0.2731 1.4505 1.4505 1.4864 1.4864 2.0639 2.0639 2.2005 2.2005 2.2154 2.2154 2.2638 2.2638 2.8257 2.8257 5.3214 5.3214 5.8069 5.8069 5.8691 5.8691 5.9085 5.9085 5.9751 5.9751 6.2324 6.2324 6.5159 6.5159 6.7848 6.7848 7.3212 7.3212 8.0793 8.0793 9.9211 9.9211 k = 0.1833 0.5000-0.0000 ( 5582 PWs) bands (ev): -17.1925 -17.1925 -17.1485 -17.1485 -17.0132 -17.0132 -15.2455 -15.2455 -15.1393 -15.1393 -15.0982 -15.0982 -6.8593 -6.8593 -6.6382 -6.6382 -6.0461 -6.0461 -5.8967 -5.8967 -5.8312 -5.8312 -3.8470 -3.8470 -3.7259 -3.7259 -3.6819 -3.6819 -2.9917 -2.9917 -2.8031 -2.8031 -2.5953 -2.5953 -2.2001 -2.2001 -2.1585 -2.1585 -1.9469 -1.9469 -1.9140 -1.9140 -1.8142 -1.8142 -1.3695 -1.3695 -1.1752 -1.1752 -0.9149 -0.9149 -0.7657 -0.7657 -0.2980 -0.2980 -0.2266 -0.2266 1.4240 1.4240 1.4446 1.4446 2.0473 2.0473 2.2017 2.2017 2.2208 2.2208 2.2646 2.2646 2.8862 2.8862 5.3460 5.3460 5.8253 5.8253 5.8798 5.8798 5.9225 5.9225 5.9818 5.9818 6.2520 6.2520 6.5119 6.5119 6.7793 6.7793 7.3514 7.3514 8.0798 8.0798 9.9050 9.9050 k = 0.2000 0.5000-0.0000 ( 5582 PWs) bands (ev): -17.1877 -17.1877 -17.1480 -17.1480 -17.0147 -17.0147 -15.2461 -15.2461 -15.1460 -15.1460 -15.0983 -15.0983 -6.8554 -6.8554 -6.6079 -6.6079 -6.0446 -6.0446 -5.8963 -5.8963 -5.8323 -5.8323 -3.8477 -3.8477 -3.7253 -3.7253 -3.6838 -3.6838 -2.9983 -2.9983 -2.8044 -2.8044 -2.6058 -2.6058 -2.2298 -2.2298 -2.1770 -2.1770 -1.9724 -1.9724 -1.9147 -1.9147 -1.8124 -1.8124 -1.3537 -1.3537 -1.1882 -1.1882 -0.9106 -0.9106 -0.7539 -0.7539 -0.3133 -0.3133 -0.1808 -0.1808 1.3769 1.3769 1.4252 1.4252 2.0298 2.0298 2.2013 2.2013 2.2282 2.2282 2.2653 2.2653 2.9449 2.9449 5.3712 5.3712 5.8419 5.8419 5.8931 5.8931 5.9374 5.9374 5.9890 5.9890 6.2757 6.2757 6.5076 6.5076 6.7725 6.7725 7.3822 7.3822 8.0815 8.0815 9.8869 9.8869 k = 0.2167 0.5000-0.0000 ( 5582 PWs) bands (ev): -17.1826 -17.1826 -17.1476 -17.1476 -17.0164 -17.0164 -15.2467 -15.2467 -15.1530 -15.1530 -15.0983 -15.0983 -6.8514 -6.8514 -6.5760 -6.5760 -6.0431 -6.0431 -5.8960 -5.8960 -5.8332 -5.8332 -3.8484 -3.8484 -3.7247 -3.7247 -3.6857 -3.6857 -3.0050 -3.0050 -2.8058 -2.8058 -2.6172 -2.6172 -2.2792 -2.2792 -2.1782 -2.1782 -1.9978 -1.9978 -1.9150 -1.9150 -1.8104 -1.8104 -1.3371 -1.3371 -1.1992 -1.1992 -0.9055 -0.9055 -0.7424 -0.7424 -0.3295 -0.3295 -0.1362 -0.1362 1.3285 1.3285 1.4092 1.4092 2.0116 2.0116 2.2005 2.2005 2.2360 2.2360 2.2658 2.2658 3.0014 3.0014 5.3967 5.3967 5.8570 5.8570 5.9080 5.9080 5.9531 5.9531 5.9965 5.9965 6.3036 6.3036 6.5028 6.5028 6.7643 6.7643 7.4127 7.4127 8.0850 8.0850 9.8670 9.8670 k = 0.2333 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1772 -17.1772 -17.1471 -17.1471 -17.0183 -17.0183 -15.2474 -15.2474 -15.1602 -15.1602 -15.0984 -15.0984 -6.8472 -6.8472 -6.5429 -6.5429 -6.0416 -6.0416 -5.8956 -5.8956 -5.8339 -5.8339 -3.8491 -3.8491 -3.7241 -3.7241 -3.6875 -3.6875 -3.0116 -3.0116 -2.8075 -2.8075 -2.6294 -2.6294 -2.3333 -2.3333 -2.1764 -2.1764 -2.0225 -2.0225 -1.9150 -1.9150 -1.8084 -1.8084 -1.3201 -1.3201 -1.2082 -1.2082 -0.8997 -0.8997 -0.7312 -0.7312 -0.3466 -0.3466 -0.0928 -0.0928 1.2820 1.2820 1.3936 1.3936 1.9928 1.9928 2.1997 2.1997 2.2436 2.2436 2.2663 2.2663 3.0556 3.0556 5.4221 5.4221 5.8716 5.8716 5.9231 5.9231 5.9694 5.9694 6.0044 6.0044 6.3361 6.3361 6.4976 6.4976 6.7548 6.7548 7.4418 7.4418 8.0909 8.0909 9.8453 9.8453 k = 0.2500 0.5000-0.0000 ( 5566 PWs) bands (ev): -17.1716 -17.1716 -17.1467 -17.1467 -17.0203 -17.0203 -15.2480 -15.2480 -15.1675 -15.1675 -15.0985 -15.0985 -6.8430 -6.8430 -6.5089 -6.5089 -6.0402 -6.0402 -5.8953 -5.8953 -5.8343 -5.8343 -3.8498 -3.8498 -3.7235 -3.7235 -3.6892 -3.6892 -3.0182 -3.0182 -2.8095 -2.8095 -2.6427 -2.6427 -2.3891 -2.3891 -2.1739 -2.1739 -2.0460 -2.0460 -1.9148 -1.9148 -1.8063 -1.8063 -1.3029 -1.3029 -1.2154 -1.2154 -0.8932 -0.8932 -0.7205 -0.7205 -0.3644 -0.3644 -0.0510 -0.0510 1.2379 1.2379 1.3783 1.3783 1.9736 1.9736 2.1991 2.1991 2.2504 2.2504 2.2672 2.2672 3.1071 3.1071 5.4472 5.4472 5.8866 5.8866 5.9376 5.9376 5.9861 5.9861 6.0129 6.0129 6.3731 6.3731 6.4919 6.4919 6.7436 6.7436 7.4683 7.4683 8.1000 8.1000 9.8219 9.8219 k = 0.2667 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1657 -17.1657 -17.1462 -17.1462 -17.0226 -17.0226 -15.2487 -15.2487 -15.1747 -15.1747 -15.0985 -15.0985 -6.8387 -6.8387 -6.4744 -6.4744 -6.0388 -6.0388 -5.8949 -5.8949 -5.8345 -5.8345 -3.8506 -3.8506 -3.7229 -3.7229 -3.6908 -3.6908 -3.0246 -3.0246 -2.8119 -2.8119 -2.6572 -2.6572 -2.4454 -2.4454 -2.1712 -2.1712 -2.0680 -2.0680 -1.9145 -1.9145 -1.8042 -1.8042 -1.2862 -1.2862 -1.2203 -1.2203 -0.8860 -0.8860 -0.7105 -0.7105 -0.3829 -0.3829 -0.0111 -0.0111 1.1964 1.1964 1.3633 1.3633 1.9541 1.9541 2.1987 2.1987 2.2552 2.2552 2.2697 2.2697 3.1558 3.1558 5.4719 5.4719 5.9022 5.9022 5.9508 5.9508 6.0029 6.0029 6.0220 6.0220 6.4142 6.4142 6.4859 6.4859 6.7309 6.7309 7.4909 7.4909 8.1130 8.1130 9.7971 9.7971 k = 0.2833 0.5000-0.0000 ( 5584 PWs) bands (ev): -17.1597 -17.1597 -17.1457 -17.1457 -17.0251 -17.0251 -15.2493 -15.2493 -15.1819 -15.1819 -15.0986 -15.0986 -6.8345 -6.8345 -6.4397 -6.4397 -6.0375 -6.0375 -5.8945 -5.8945 -5.8343 -5.8343 -3.8513 -3.8513 -3.7224 -3.7224 -3.6922 -3.6922 -3.0308 -3.0308 -2.8148 -2.8148 -2.6733 -2.6733 -2.5005 -2.5005 -2.1684 -2.1684 -2.0885 -2.0885 -1.9142 -1.9142 -1.8021 -1.8021 -1.2714 -1.2714 -1.2220 -1.2220 -0.8783 -0.8783 -0.7012 -0.7012 -0.4019 -0.4019 0.0269 0.0269 1.1576 1.1576 1.3488 1.3488 1.9346 1.9346 2.1986 2.1986 2.2572 2.2572 2.2743 2.2743 3.2015 3.2015 5.4957 5.4957 5.9187 5.9187 5.9625 5.9625 6.0194 6.0194 6.0326 6.0326 6.4588 6.4588 6.4799 6.4799 6.7164 6.7164 7.5082 7.5082 8.1304 8.1304 9.7711 9.7711 k = 0.3000 0.5000-0.0000 ( 5584 PWs) bands (ev): -17.1535 -17.1535 -17.1453 -17.1453 -17.0278 -17.0278 -15.2500 -15.2500 -15.1890 -15.1890 -15.0986 -15.0986 -6.8303 -6.8303 -6.4052 -6.4052 -6.0364 -6.0364 -5.8942 -5.8942 -5.8336 -5.8336 -3.8520 -3.8520 -3.7220 -3.7220 -3.6932 -3.6932 -3.0367 -3.0367 -2.8182 -2.8182 -2.6921 -2.6921 -2.5523 -2.5523 -2.1657 -2.1657 -2.1072 -2.1072 -1.9136 -1.9136 -1.8000 -1.8000 -1.2610 -1.2610 -1.2181 -1.2181 -0.8701 -0.8701 -0.6929 -0.6929 -0.4213 -0.4213 0.0627 0.0627 1.1217 1.1217 1.3349 1.3349 1.9153 1.9153 2.1989 2.1989 2.2573 2.2573 2.2802 2.2802 3.2441 3.2441 5.5187 5.5187 5.9356 5.9356 5.9728 5.9728 6.0345 6.0345 6.0456 6.0456 6.4718 6.4718 6.5084 6.5084 6.7002 6.7002 7.5194 7.5194 8.1526 8.1526 9.7442 9.7442 k = 0.3167 0.5000-0.0000 ( 5590 PWs) bands (ev): -17.1472 -17.1472 -17.1448 -17.1448 -17.0307 -17.0307 -15.2506 -15.2506 -15.1958 -15.1958 -15.0987 -15.0987 -6.8262 -6.8262 -6.3715 -6.3715 -6.0354 -6.0354 -5.8939 -5.8939 -5.8324 -5.8324 -3.8527 -3.8527 -3.7217 -3.7217 -3.6939 -3.6939 -3.0423 -3.0423 -2.8225 -2.8225 -2.7154 -2.7154 -2.5977 -2.5977 -2.1631 -2.1631 -2.1242 -2.1242 -1.9131 -1.9131 -1.7980 -1.7980 -1.2567 -1.2567 -1.2072 -1.2072 -0.8615 -0.8615 -0.6855 -0.6855 -0.4408 -0.4408 0.0962 0.0962 1.0887 1.0887 1.3217 1.3217 1.8965 1.8965 2.1994 2.1994 2.2564 2.2564 2.2864 2.2864 3.2835 3.2835 5.5404 5.5404 5.9525 5.9525 5.9819 5.9819 6.0485 6.0485 6.0613 6.0613 6.4648 6.4648 6.5594 6.5594 6.6822 6.6822 7.5239 7.5239 8.1793 8.1793 9.7169 9.7169 k = 0.3333 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.1444 -17.1444 -17.1407 -17.1407 -17.0338 -17.0338 -15.2512 -15.2512 -15.2023 -15.2023 -15.0988 -15.0988 -6.8222 -6.8222 -6.3388 -6.3388 -6.0346 -6.0346 -5.8936 -5.8936 -5.8306 -5.8306 -3.8534 -3.8534 -3.7215 -3.7215 -3.6942 -3.6942 -3.0476 -3.0476 -2.8284 -2.8284 -2.7448 -2.7448 -2.6336 -2.6336 -2.1605 -2.1605 -2.1394 -2.1394 -1.9123 -1.9123 -1.7961 -1.7961 -1.2563 -1.2563 -1.1918 -1.1918 -0.8526 -0.8526 -0.6793 -0.6793 -0.4603 -0.4603 0.1272 0.1272 1.0587 1.0587 1.3093 1.3093 1.8782 1.8782 2.2002 2.2002 2.2549 2.2549 2.2924 2.2924 3.3195 3.3195 5.5609 5.5609 5.9683 5.9683 5.9902 5.9902 6.0632 6.0632 6.0783 6.0783 6.4572 6.4572 6.6125 6.6125 6.6630 6.6630 7.5214 7.5214 8.2100 8.2100 9.6894 9.6894 k = 0.3500 0.5000-0.0000 ( 5582 PWs) bands (ev): -17.1440 -17.1440 -17.1343 -17.1343 -17.0372 -17.0372 -15.2517 -15.2517 -15.2084 -15.2084 -15.0988 -15.0988 -6.8185 -6.8185 -6.3078 -6.3078 -6.0341 -6.0341 -5.8934 -5.8934 -5.8282 -5.8282 -3.8540 -3.8540 -3.7215 -3.7215 -3.6941 -3.6941 -3.0524 -3.0524 -2.8385 -2.8385 -2.7774 -2.7774 -2.6592 -2.6592 -2.1583 -2.1583 -2.1529 -2.1529 -1.9116 -1.9116 -1.7943 -1.7943 -1.2574 -1.2574 -1.1746 -1.1746 -0.8436 -0.8436 -0.6741 -0.6741 -0.4796 -0.4796 0.1557 0.1557 1.0317 1.0317 1.2977 1.2977 1.8608 1.8608 2.2012 2.2012 2.2532 2.2532 2.2980 2.2980 3.3521 3.3521 5.5799 5.5799 5.9817 5.9817 5.9981 5.9981 6.0801 6.0801 6.0958 6.0958 6.4493 6.4493 6.6385 6.6385 6.6709 6.6709 7.5120 7.5120 8.2436 8.2436 9.6624 9.6624 k = 0.3667 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.1437 -17.1437 -17.1278 -17.1278 -17.0408 -17.0408 -15.2522 -15.2522 -15.2141 -15.2141 -15.0989 -15.0989 -6.8150 -6.8150 -6.2788 -6.2788 -6.0338 -6.0338 -5.8932 -5.8932 -5.8252 -5.8252 -3.8546 -3.8546 -3.7216 -3.7216 -3.6935 -3.6935 -3.0569 -3.0569 -2.8590 -2.8590 -2.8036 -2.8036 -2.6772 -2.6772 -2.1649 -2.1649 -2.1560 -2.1560 -1.9109 -1.9109 -1.7926 -1.7926 -1.2589 -1.2589 -1.1571 -1.1571 -0.8345 -0.8345 -0.6701 -0.6701 -0.4984 -0.4984 0.1814 0.1814 1.0077 1.0077 1.2871 1.2871 1.8444 1.8444 2.2026 2.2026 2.2512 2.2512 2.3032 2.3032 3.3813 3.3813 5.5973 5.5973 5.9918 5.9918 6.0064 6.0064 6.0995 6.0995 6.1137 6.1137 6.4412 6.4412 6.6164 6.6164 6.7267 6.7267 7.4962 7.4962 8.2790 8.2790 9.6361 9.6361 k = 0.3833 0.5000-0.0000 ( 5578 PWs) bands (ev): -17.1433 -17.1433 -17.1213 -17.1213 -17.0447 -17.0447 -15.2527 -15.2527 -15.2193 -15.2193 -15.0989 -15.0989 -6.8118 -6.8118 -6.2522 -6.2522 -6.0337 -6.0337 -5.8931 -5.8931 -5.8217 -5.8217 -3.8552 -3.8552 -3.7218 -3.7218 -3.6925 -3.6925 -3.0608 -3.0608 -2.8918 -2.8918 -2.8176 -2.8176 -2.6904 -2.6904 -2.1752 -2.1752 -2.1542 -2.1542 -1.9102 -1.9102 -1.7910 -1.7910 -1.2605 -1.2605 -1.1399 -1.1399 -0.8256 -0.8256 -0.6672 -0.6672 -0.5164 -0.5164 0.2043 0.2043 0.9867 0.9867 1.2776 1.2776 1.8294 1.8294 2.2041 2.2041 2.2490 2.2490 2.3078 2.3078 3.4070 3.4070 5.6129 5.6129 5.9986 5.9986 6.0145 6.0145 6.1196 6.1196 6.1335 6.1335 6.4331 6.4331 6.5916 6.5916 6.7845 6.7845 7.4744 7.4744 8.3146 8.3146 9.6112 9.6112 k = 0.4000 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1431 -17.1431 -17.1149 -17.1149 -17.0488 -17.0488 -15.2531 -15.2531 -15.2239 -15.2239 -15.0989 -15.0989 -6.8089 -6.8089 -6.2284 -6.2284 -6.0339 -6.0339 -5.8931 -5.8931 -5.8179 -5.8179 -3.8557 -3.8557 -3.7222 -3.7222 -3.6912 -3.6912 -3.0643 -3.0643 -2.9284 -2.9284 -2.8253 -2.8253 -2.7004 -2.7004 -2.1839 -2.1839 -2.1525 -2.1525 -1.9095 -1.9095 -1.7896 -1.7896 -1.2619 -1.2619 -1.1236 -1.1236 -0.8170 -0.8170 -0.6653 -0.6653 -0.5333 -0.5333 0.2244 0.2244 0.9686 0.9686 1.2692 1.2692 1.8158 1.8158 2.2057 2.2057 2.2467 2.2467 2.3119 2.3119 3.4292 3.4292 5.6266 5.6266 6.0034 6.0034 6.0217 6.0217 6.1374 6.1374 6.1573 6.1573 6.4250 6.4250 6.5653 6.5653 6.8428 6.8428 7.4472 7.4472 8.3491 8.3491 9.5881 9.5881 k = 0.4167 0.5000-0.0000 ( 5566 PWs) bands (ev): -17.1428 -17.1428 -17.1085 -17.1085 -17.0531 -17.0531 -15.2535 -15.2535 -15.2279 -15.2279 -15.0990 -15.0990 -6.8064 -6.8064 -6.2077 -6.2077 -6.0343 -6.0343 -5.8931 -5.8931 -5.8139 -5.8139 -3.8561 -3.8561 -3.7225 -3.7225 -3.6897 -3.6897 -3.0673 -3.0673 -2.9632 -2.9632 -2.8305 -2.8305 -2.7081 -2.7081 -2.1912 -2.1912 -2.1510 -2.1510 -1.9089 -1.9089 -1.7884 -1.7884 -1.2631 -1.2631 -1.1087 -1.1087 -0.8091 -0.8091 -0.6643 -0.6643 -0.5487 -0.5487 0.2415 0.2415 0.9535 0.9535 1.2620 1.2620 1.8040 1.8040 2.2075 2.2075 2.2445 2.2445 2.3154 2.3154 3.4480 3.4480 5.6384 5.6384 6.0071 6.0071 6.0276 6.0276 6.1524 6.1524 6.1847 6.1847 6.4173 6.4173 6.5379 6.5379 6.9012 6.9012 7.4152 7.4152 8.3810 8.3810 9.5675 9.5675 k = 0.4333 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1426 -17.1426 -17.1022 -17.1022 -17.0577 -17.0577 -15.2538 -15.2538 -15.2312 -15.2312 -15.0990 -15.0990 -6.8043 -6.8043 -6.1904 -6.1904 -6.0349 -6.0349 -5.8931 -5.8931 -5.8100 -5.8100 -3.8564 -3.8564 -3.7229 -3.7229 -3.6882 -3.6882 -3.0697 -3.0697 -2.9937 -2.9937 -2.8347 -2.8347 -2.7140 -2.7140 -2.1972 -2.1972 -2.1498 -2.1498 -1.9084 -1.9084 -1.7874 -1.7874 -1.2641 -1.2641 -1.0956 -1.0956 -0.8020 -0.8020 -0.6640 -0.6640 -0.5622 -0.5622 0.2555 0.2555 0.9412 0.9412 1.2560 1.2560 1.7940 1.7940 2.2093 2.2093 2.2422 2.2422 2.3182 2.3182 3.4633 3.4633 5.6481 5.6481 6.0098 6.0098 6.0323 6.0323 6.1651 6.1651 6.2138 6.2138 6.4101 6.4101 6.5098 6.5098 6.9589 6.9589 7.3789 7.3789 8.4092 8.4092 9.5496 9.5496 k = 0.4500 0.5000-0.0000 ( 5574 PWs) bands (ev): -17.1424 -17.1424 -17.0960 -17.0960 -17.0625 -17.0625 -15.2540 -15.2540 -15.2338 -15.2338 -15.0990 -15.0990 -6.8027 -6.8027 -6.1767 -6.1767 -6.0355 -6.0355 -5.8931 -5.8931 -5.8066 -5.8066 -3.8567 -3.8567 -3.7232 -3.7232 -3.6868 -3.6868 -3.0717 -3.0717 -3.0187 -3.0187 -2.8379 -2.8379 -2.7183 -2.7183 -2.2017 -2.2017 -2.1489 -2.1489 -1.9079 -1.9079 -1.7866 -1.7866 -1.2649 -1.2649 -1.0847 -1.0847 -0.7960 -0.7960 -0.6641 -0.6641 -0.5733 -0.5733 0.2665 0.2665 0.9317 0.9317 1.2513 1.2513 1.7861 1.7861 2.2110 2.2110 2.2402 2.2402 2.3205 2.3205 3.4752 3.4752 5.6558 5.6558 6.0118 6.0118 6.0358 6.0358 6.1756 6.1756 6.2431 6.2431 6.4040 6.4040 6.4817 6.4817 7.0154 7.0154 7.3391 7.3392 8.4325 8.4325 9.5352 9.5352 k = 0.4667 0.5000-0.0000 ( 5588 PWs) bands (ev): -17.1423 -17.1423 -17.0900 -17.0900 -17.0676 -17.0676 -15.2542 -15.2542 -15.2357 -15.2357 -15.0991 -15.0991 -6.8015 -6.8015 -6.1668 -6.1668 -6.0361 -6.0361 -5.8931 -5.8931 -5.8039 -5.8039 -3.8569 -3.8569 -3.7234 -3.7234 -3.6856 -3.6856 -3.0730 -3.0730 -3.0371 -3.0371 -2.8402 -2.8402 -2.7214 -2.7214 -2.2050 -2.2050 -2.1483 -2.1483 -1.9077 -1.9077 -1.7861 -1.7861 -1.2655 -1.2655 -1.0766 -1.0766 -0.7915 -0.7915 -0.6645 -0.6645 -0.5816 -0.5816 0.2744 0.2744 0.9250 0.9250 1.2479 1.2479 1.7804 1.7804 2.2125 2.2125 2.2385 2.2385 2.3221 2.3221 3.4837 3.4837 5.6612 5.6612 6.0132 6.0132 6.0383 6.0383 6.1834 6.1834 6.2705 6.2705 6.3991 6.3991 6.4553 6.4553 7.0692 7.0692 7.2972 7.2972 8.4498 8.4498 9.5245 9.5245 k = 0.4833 0.5000-0.0000 ( 5568 PWs) bands (ev): -17.1422 -17.1422 -17.0841 -17.0841 -17.0729 -17.0729 -15.2543 -15.2543 -15.2369 -15.2369 -15.0991 -15.0991 -6.8008 -6.8008 -6.1607 -6.1607 -6.0365 -6.0365 -5.8931 -5.8931 -5.8021 -5.8021 -3.8571 -3.8571 -3.7235 -3.7235 -3.6848 -3.6848 -3.0739 -3.0739 -3.0484 -3.0484 -2.8416 -2.8416 -2.7231 -2.7231 -2.2069 -2.2069 -2.1478 -2.1478 -1.9074 -1.9074 -1.7857 -1.7857 -1.2657 -1.2657 -1.0715 -1.0715 -0.7886 -0.7886 -0.6648 -0.6648 -0.5867 -0.5867 0.2791 0.2791 0.9210 0.9210 1.2459 1.2459 1.7769 1.7769 2.2135 2.2135 2.2374 2.2374 2.3231 2.3231 3.4888 3.4888 5.6646 5.6646 6.0140 6.0140 6.0397 6.0397 6.1884 6.1884 6.2924 6.2924 6.3960 6.3960 6.4342 6.4342 7.1168 7.1168 7.2568 7.2568 8.4605 8.4605 9.5179 9.5179 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -17.1422 -17.1422 -17.0789 -17.0789 -17.0779 -17.0779 -15.2543 -15.2543 -15.2373 -15.2373 -15.0991 -15.0991 -6.8005 -6.8005 -6.1587 -6.1587 -6.0367 -6.0367 -5.8931 -5.8931 -5.8015 -5.8015 -3.8571 -3.8571 -3.7236 -3.7236 -3.6846 -3.6846 -3.0741 -3.0741 -3.0522 -3.0522 -2.8420 -2.8420 -2.7236 -2.7236 -2.2075 -2.2075 -2.1476 -2.1476 -1.9072 -1.9072 -1.7856 -1.7856 -1.2658 -1.2658 -1.0698 -1.0698 -0.7876 -0.7876 -0.6650 -0.6650 -0.5884 -0.5884 0.2807 0.2807 0.9197 0.9197 1.2452 1.2452 1.7757 1.7757 2.2138 2.2138 2.2370 2.2370 2.3234 2.3234 3.4905 3.4905 5.6657 5.6657 6.0143 6.0143 6.0402 6.0402 6.1900 6.1900 6.3014 6.3014 6.3950 6.3950 6.4255 6.4255 7.1415 7.1415 7.2346 7.2346 8.4642 8.4642 9.5157 9.5157 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -17.1422 -17.1422 -17.0789 -17.0789 -17.0779 -17.0779 -15.2543 -15.2543 -15.2373 -15.2373 -15.0991 -15.0991 -6.8005 -6.8005 -6.1587 -6.1587 -6.0367 -6.0367 -5.8931 -5.8931 -5.8015 -5.8015 -3.8571 -3.8571 -3.7236 -3.7236 -3.6846 -3.6846 -3.0741 -3.0741 -3.0522 -3.0522 -2.8420 -2.8420 -2.7236 -2.7236 -2.2075 -2.2075 -2.1476 -2.1476 -1.9072 -1.9072 -1.7856 -1.7856 -1.2658 -1.2658 -1.0698 -1.0698 -0.7876 -0.7876 -0.6650 -0.6650 -0.5884 -0.5884 0.2807 0.2807 0.9197 0.9197 1.2452 1.2452 1.7757 1.7757 2.2138 2.2138 2.2370 2.2370 2.3234 2.3234 3.4905 3.4905 5.6657 5.6657 6.0143 6.0143 6.0402 6.0402 6.1900 6.1900 6.3014 6.3014 6.3950 6.3950 6.4255 6.4255 7.1415 7.1415 7.2346 7.2346 8.4642 8.4642 9.5157 9.5157 k = 0.4881 0.4881-0.0000 ( 5570 PWs) bands (ev): -17.1425 -17.1425 -17.0824 -17.0824 -17.0744 -17.0744 -15.2541 -15.2541 -15.2371 -15.2371 -15.0991 -15.0991 -6.8007 -6.8007 -6.1596 -6.1596 -6.0389 -6.0389 -5.8923 -5.8923 -5.8019 -5.8019 -3.8564 -3.8564 -3.7236 -3.7236 -3.6849 -3.6849 -3.0759 -3.0759 -3.0468 -3.0468 -2.8416 -2.8416 -2.7232 -2.7232 -2.2072 -2.2072 -2.1476 -2.1476 -1.9074 -1.9074 -1.7857 -1.7857 -1.2660 -1.2660 -1.0705 -1.0705 -0.7882 -0.7882 -0.6649 -0.6649 -0.5880 -0.5880 0.2793 0.2793 0.9208 0.9208 1.2465 1.2465 1.7770 1.7770 2.2135 2.2135 2.2372 2.2372 2.3233 2.3233 3.4882 3.4882 5.6646 5.6646 6.0132 6.0132 6.0401 6.0401 6.1891 6.1891 6.2967 6.2967 6.3948 6.3948 6.4297 6.4297 7.1278 7.1278 7.2465 7.2465 8.4615 8.4615 9.5174 9.5174 k = 0.4762 0.4762-0.0000 ( 5588 PWs) bands (ev): -17.1432 -17.1432 -17.0862 -17.0862 -17.0705 -17.0705 -15.2534 -15.2534 -15.2365 -15.2365 -15.0991 -15.0991 -6.8011 -6.8011 -6.1624 -6.1624 -6.0454 -6.0454 -5.8899 -5.8899 -5.8031 -5.8031 -3.8542 -3.8542 -3.7236 -3.7236 -3.6857 -3.6857 -3.0778 -3.0778 -3.0340 -3.0340 -2.8402 -2.8402 -2.7218 -2.7218 -2.2063 -2.2063 -2.1474 -2.1474 -1.9076 -1.9076 -1.7860 -1.7860 -1.2663 -1.2663 -1.0726 -1.0726 -0.7898 -0.7898 -0.6649 -0.6649 -0.5867 -0.5867 0.2751 0.2751 0.9241 0.9241 1.2504 1.2504 1.7807 1.7807 2.2125 2.2125 2.2378 2.2378 2.3230 2.3230 3.4813 3.4813 5.6615 5.6615 6.0097 6.0097 6.0396 6.0396 6.1865 6.1865 6.2843 6.2843 6.3942 6.3942 6.4408 6.4408 7.0978 7.0978 7.2711 7.2711 8.4536 8.4536 9.5226 9.5226 k = 0.4643 0.4643-0.0000 ( 5580 PWs) bands (ev): -17.1445 -17.1445 -17.0898 -17.0898 -17.0667 -17.0667 -15.2522 -15.2522 -15.2355 -15.2355 -15.0990 -15.0990 -6.8018 -6.8018 -6.1672 -6.1672 -6.0556 -6.0556 -5.8864 -5.8864 -5.8050 -5.8050 -3.8508 -3.8508 -3.7236 -3.7236 -3.6870 -3.6870 -3.0769 -3.0769 -3.0168 -3.0168 -2.8377 -2.8377 -2.7195 -2.7195 -2.2046 -2.2046 -2.1469 -2.1469 -1.9079 -1.9079 -1.7865 -1.7865 -1.2667 -1.2667 -1.0760 -1.0760 -0.7923 -0.7923 -0.6650 -0.6650 -0.5845 -0.5845 0.2682 0.2682 0.9296 0.9296 1.2567 1.2567 1.7868 1.7868 2.2111 2.2111 2.2386 2.2386 2.3226 2.3226 3.4699 3.4699 5.6563 5.6563 6.0040 6.0040 6.0387 6.0387 6.1821 6.1821 6.2675 6.2675 6.3931 6.3931 6.4556 6.4556 7.0621 7.0621 7.2980 7.2980 8.4406 8.4406 9.5311 9.5311 k = 0.4524 0.4524-0.0000 ( 5574 PWs) bands (ev): -17.1465 -17.1465 -17.0930 -17.0930 -17.0631 -17.0631 -15.2505 -15.2505 -15.2342 -15.2342 -15.0990 -15.0990 -6.8028 -6.8028 -6.1742 -6.1742 -6.0688 -6.0688 -5.8822 -5.8822 -5.8076 -5.8076 -3.8461 -3.8461 -3.7236 -3.7236 -3.6887 -3.6887 -3.0726 -3.0726 -2.9963 -2.9963 -2.8341 -2.8341 -2.7162 -2.7162 -2.2022 -2.2022 -2.1463 -2.1463 -1.9083 -1.9083 -1.7872 -1.7872 -1.2674 -1.2674 -1.0808 -1.0808 -0.7954 -0.7954 -0.6654 -0.6654 -0.5816 -0.5816 0.2588 0.2588 0.9375 0.9375 1.2656 1.2656 1.7951 1.7951 2.2093 2.2093 2.2396 2.2396 2.3220 2.3220 3.4542 3.4542 5.6489 5.6489 5.9957 5.9957 6.0374 6.0374 6.1760 6.1760 6.2489 6.2489 6.3916 6.3916 6.4720 6.4720 7.0243 7.0243 7.3235 7.3235 8.4229 8.4229 9.5428 9.5428 k = 0.4405 0.4405-0.0000 ( 5574 PWs) bands (ev): -17.1492 -17.1492 -17.0957 -17.0957 -17.0597 -17.0597 -15.2485 -15.2485 -15.2325 -15.2325 -15.0990 -15.0990 -6.8041 -6.8041 -6.1836 -6.1836 -6.0843 -6.0843 -5.8778 -5.8778 -5.8106 -5.8106 -3.8404 -3.8404 -3.7235 -3.7235 -3.6907 -3.6907 -3.0645 -3.0645 -2.9730 -2.9730 -2.8295 -2.8295 -2.7121 -2.7121 -2.1992 -2.1992 -2.1454 -2.1454 -1.9089 -1.9089 -1.7881 -1.7881 -1.2683 -1.2683 -1.0868 -1.0868 -0.7991 -0.7991 -0.6665 -0.6665 -0.5778 -0.5778 0.2470 0.2470 0.9476 0.9476 1.2769 1.2769 1.8055 1.8055 2.2073 2.2073 2.2404 2.2404 2.3214 2.3214 3.4341 3.4341 5.6392 5.6392 5.9848 5.9848 6.0354 6.0354 6.1683 6.1683 6.2302 6.2302 6.3896 6.3896 6.4885 6.4885 6.9857 6.9857 7.3460 7.3460 8.4006 8.4006 9.5576 9.5576 k = 0.4286 0.4286-0.0000 ( 5574 PWs) bands (ev): -17.1527 -17.1527 -17.0978 -17.0978 -17.0565 -17.0565 -15.2459 -15.2459 -15.2304 -15.2304 -15.0990 -15.0990 -6.8057 -6.8057 -6.1956 -6.1956 -6.1013 -6.1013 -5.8735 -5.8735 -5.8140 -5.8140 -3.8338 -3.8338 -3.7235 -3.7235 -3.6928 -3.6928 -3.0527 -3.0527 -2.9476 -2.9476 -2.8234 -2.8234 -2.7071 -2.7071 -2.1955 -2.1955 -2.1443 -2.1443 -1.9095 -1.9095 -1.7892 -1.7892 -1.2695 -1.2695 -1.0940 -1.0940 -0.8030 -0.8030 -0.6685 -0.6685 -0.5733 -0.5733 0.2330 0.2330 0.9602 0.9602 1.2906 1.2906 1.8177 1.8177 2.2051 2.2051 2.2409 2.2409 2.3209 2.3209 3.4100 3.4100 5.6268 5.6268 5.9713 5.9713 6.0329 6.0329 6.1590 6.1590 6.2124 6.2124 6.3870 6.3870 6.5043 6.5043 6.9471 6.9471 7.3650 7.3650 8.3742 8.3742 9.5753 9.5753 k = 0.4167 0.4167-0.0000 ( 5574 PWs) bands (ev): -17.1569 -17.1569 -17.0993 -17.0993 -17.0536 -17.0536 -15.2430 -15.2430 -15.2280 -15.2280 -15.0989 -15.0989 -6.8076 -6.8076 -6.2106 -6.2106 -6.1192 -6.1192 -5.8693 -5.8693 -5.8175 -5.8175 -3.8266 -3.8266 -3.7233 -3.7233 -3.6949 -3.6949 -3.0371 -3.0371 -2.9206 -2.9206 -2.8157 -2.8157 -2.7013 -2.7013 -2.1912 -2.1912 -2.1429 -2.1429 -1.9102 -1.9102 -1.7905 -1.7905 -1.2709 -1.2709 -1.1023 -1.1023 -0.8069 -0.8069 -0.6716 -0.6716 -0.5681 -0.5681 0.2171 0.2171 0.9751 0.9751 1.3065 1.3065 1.8315 1.8315 2.2029 2.2029 2.2411 2.2411 2.3205 2.3205 3.3821 3.3821 5.6117 5.6117 5.9551 5.9551 6.0298 6.0298 6.1483 6.1483 6.1962 6.1962 6.3838 6.3838 6.5190 6.5190 6.9091 6.9091 7.3798 7.3798 8.3442 8.3442 9.5956 9.5956 k = 0.4048 0.4048-0.0000 ( 5562 PWs) bands (ev): -17.1619 -17.1619 -17.1002 -17.1002 -17.0510 -17.0510 -15.2397 -15.2397 -15.2253 -15.2253 -15.0989 -15.0989 -6.8097 -6.8097 -6.2286 -6.2286 -6.1378 -6.1378 -5.8656 -5.8656 -5.8210 -5.8210 -3.8190 -3.8190 -3.7232 -3.7232 -3.6968 -3.6968 -3.0178 -3.0178 -2.8933 -2.8933 -2.8054 -2.8054 -2.6945 -2.6945 -2.1861 -2.1861 -2.1411 -2.1411 -1.9110 -1.9110 -1.7920 -1.7920 -1.2727 -1.2727 -1.1116 -1.1116 -0.8106 -0.8106 -0.6761 -0.6761 -0.5623 -0.5623 0.1996 0.1996 0.9925 0.9925 1.3246 1.3246 1.8466 1.8466 2.2006 2.2006 2.2409 2.2409 2.3203 2.3203 3.3505 3.3505 5.5934 5.5934 5.9369 5.9369 6.0261 6.0261 6.1363 6.1363 6.1818 6.1818 6.3800 6.3800 6.5322 6.5322 6.8721 6.8721 7.3900 7.3900 8.3111 8.3111 9.6183 9.6183 k = 0.3929 0.3929-0.0000 ( 5554 PWs) bands (ev): -17.1676 -17.1676 -17.1005 -17.1005 -17.0486 -17.0486 -15.2360 -15.2360 -15.2222 -15.2222 -15.0988 -15.0988 -6.8121 -6.8121 -6.2496 -6.2496 -6.1566 -6.1566 -5.8623 -5.8623 -5.8242 -5.8242 -3.8112 -3.8112 -3.7229 -3.7229 -3.6985 -3.6985 -2.9951 -2.9951 -2.8672 -2.8672 -2.7916 -2.7916 -2.6868 -2.6868 -2.1805 -2.1805 -2.1388 -2.1388 -1.9118 -1.9118 -1.7937 -1.7937 -1.2748 -1.2748 -1.1219 -1.1219 -0.8139 -0.8139 -0.6822 -0.6822 -0.5559 -0.5559 0.1806 0.1806 1.0124 1.0124 1.3447 1.3447 1.8628 1.8628 2.1983 2.1983 2.2401 2.2401 2.3203 2.3203 3.3155 3.3155 5.5715 5.5715 5.9174 5.9174 6.0219 6.0219 6.1230 6.1230 6.1690 6.1690 6.3756 6.3756 6.5435 6.5435 6.8365 6.8365 7.3954 7.3954 8.2753 8.2753 9.6431 9.6431 k = 0.3810 0.3810-0.0000 ( 5570 PWs) bands (ev): -17.1737 -17.1737 -17.1003 -17.1003 -17.0465 -17.0465 -15.2319 -15.2319 -15.2188 -15.2188 -15.0988 -15.0988 -6.8147 -6.8147 -6.2733 -6.2733 -6.1759 -6.1759 -5.8595 -5.8595 -5.8270 -5.8270 -3.8033 -3.8033 -3.7224 -3.7224 -3.6999 -3.6999 -2.9691 -2.9691 -2.8444 -2.8444 -2.7726 -2.7726 -2.6781 -2.6781 -2.1743 -2.1743 -2.1361 -2.1361 -1.9128 -1.9128 -1.7955 -1.7955 -1.2775 -1.2775 -1.1329 -1.1329 -0.8167 -0.8167 -0.6901 -0.6901 -0.5490 -0.5490 0.1605 0.1605 1.0348 1.0348 1.3667 1.3667 1.8797 1.8797 2.1959 2.1959 2.2388 2.2388 2.3207 2.3207 3.2774 3.2774 5.5457 5.5457 5.8975 5.8975 6.0172 6.0172 6.1085 6.1085 6.1577 6.1577 6.3704 6.3704 6.5526 6.5526 6.8024 6.8024 7.3958 7.3958 8.2373 8.2373 9.6696 9.6696 k = 0.3690 0.3690-0.0000 ( 5574 PWs) bands (ev): -17.1804 -17.1804 -17.0997 -17.0997 -17.0446 -17.0446 -15.2275 -15.2275 -15.2151 -15.2151 -15.0987 -15.0987 -6.8176 -6.8176 -6.2993 -6.2993 -6.1956 -6.1956 -5.8572 -5.8572 -5.8292 -5.8292 -3.7956 -3.7956 -3.7219 -3.7219 -3.7009 -3.7009 -2.9401 -2.9401 -2.8259 -2.8259 -2.7481 -2.7481 -2.6678 -2.6678 -2.1676 -2.1676 -2.1328 -2.1328 -1.9138 -1.9138 -1.7975 -1.7975 -1.2806 -1.2806 -1.1447 -1.1447 -0.8188 -0.8188 -0.6998 -0.6998 -0.5416 -0.5416 0.1395 0.1395 1.0596 1.0596 1.3905 1.3905 1.8971 1.8971 2.1935 2.1935 2.2370 2.2370 2.3215 2.3215 3.2365 3.2365 5.5158 5.5158 5.8781 5.8781 6.0121 6.0121 6.0929 6.0929 6.1474 6.1474 6.3646 6.3646 6.5591 6.5591 6.7702 6.7702 7.3913 7.3913 8.1976 8.1976 9.6975 9.6975 k = 0.3571 0.3571-0.0000 ( 5562 PWs) bands (ev): -17.1874 -17.1874 -17.0988 -17.0988 -17.0430 -17.0430 -15.2229 -15.2229 -15.2112 -15.2112 -15.0987 -15.0987 -6.8208 -6.8208 -6.3272 -6.3272 -6.2159 -6.2159 -5.8555 -5.8555 -5.8306 -5.8306 -3.7882 -3.7882 -3.7211 -3.7211 -3.7014 -3.7014 -2.9084 -2.9084 -2.8107 -2.8107 -2.7202 -2.7202 -2.6549 -2.6549 -2.1604 -2.1604 -2.1285 -2.1285 -1.9147 -1.9147 -1.7997 -1.7997 -1.2841 -1.2841 -1.1571 -1.1571 -0.8202 -0.8202 -0.7113 -0.7113 -0.5337 -0.5337 0.1179 0.1179 1.0869 1.0869 1.4159 1.4159 1.9148 1.9148 2.1909 2.1909 2.2349 2.2349 2.3227 2.3227 3.1930 3.1930 5.4816 5.4816 5.8600 5.8600 6.0067 6.0067 6.0762 6.0762 6.1378 6.1378 6.3581 6.3581 6.5626 6.5626 6.7403 6.7403 7.3818 7.3818 8.1566 8.1566 9.7264 9.7264 k = 0.3452 0.3452-0.0000 ( 5564 PWs) bands (ev): -17.1947 -17.1947 -17.0976 -17.0976 -17.0416 -17.0416 -15.2180 -15.2180 -15.2070 -15.2070 -15.0986 -15.0986 -6.8242 -6.8242 -6.3566 -6.3566 -6.2369 -6.2369 -5.8542 -5.8542 -5.8312 -5.8312 -3.7811 -3.7811 -3.7202 -3.7202 -3.7015 -3.7015 -2.8746 -2.8746 -2.7973 -2.7973 -2.6930 -2.6930 -2.6374 -2.6374 -2.1530 -2.1530 -2.1233 -2.1233 -1.9156 -1.9156 -1.8021 -1.8021 -1.2882 -1.2882 -1.1700 -1.1700 -0.8210 -0.8210 -0.7244 -0.7244 -0.5256 -0.5256 0.0959 0.0959 1.1165 1.1165 1.4427 1.4427 1.9325 1.9325 2.1881 2.1881 2.2325 2.2325 2.3242 2.3242 3.1473 3.1473 5.4435 5.4435 5.8436 5.8436 6.0009 6.0009 6.0586 6.0586 6.1286 6.1286 6.3510 6.3510 6.5625 6.5625 6.7132 6.7132 7.3676 7.3676 8.1148 8.1148 9.7560 9.7560 k = 0.3333 0.3333-0.0000 ( 5584 PWs) bands (ev): -17.2022 -17.2022 -17.0961 -17.0961 -17.0405 -17.0405 -15.2128 -15.2128 -15.2026 -15.2026 -15.0986 -15.0986 -6.8278 -6.8278 -6.3870 -6.3870 -6.2587 -6.2587 -5.8533 -5.8533 -5.8312 -5.8312 -3.7745 -3.7745 -3.7191 -3.7191 -3.7010 -3.7010 -2.8394 -2.8394 -2.7842 -2.7842 -2.6706 -2.6706 -2.6124 -2.6124 -2.1456 -2.1456 -2.1168 -2.1168 -1.9166 -1.9166 -1.8045 -1.8045 -1.2929 -1.2929 -1.1834 -1.1834 -0.8216 -0.8216 -0.7387 -0.7387 -0.5171 -0.5171 0.0736 0.0736 1.1484 1.1484 1.4709 1.4709 1.9500 1.9500 2.1850 2.1850 2.2301 2.2301 2.3259 2.3259 3.0996 3.0996 5.4016 5.4016 5.8291 5.8291 5.9950 5.9950 6.0400 6.0400 6.1195 6.1195 6.3432 6.3432 6.5578 6.5578 6.6896 6.6896 7.3487 7.3487 8.0724 8.0724 9.7858 9.7858 k = 0.3214 0.3214-0.0000 ( 5572 PWs) bands (ev): -17.2099 -17.2099 -17.0944 -17.0944 -17.0396 -17.0396 -15.2074 -15.2074 -15.1980 -15.1980 -15.0985 -15.0985 -6.8317 -6.8317 -6.4182 -6.4182 -6.2811 -6.2811 -5.8526 -5.8526 -5.8306 -5.8306 -3.7683 -3.7683 -3.7179 -3.7179 -3.7000 -3.7000 -2.8047 -2.8047 -2.7695 -2.7695 -2.6531 -2.6531 -2.5802 -2.5802 -2.1381 -2.1381 -2.1088 -2.1088 -1.9174 -1.9174 -1.8072 -1.8072 -1.2982 -1.2982 -1.1971 -1.1971 -0.8230 -0.8230 -0.7531 -0.7531 -0.5084 -0.5084 0.0513 0.0513 1.1824 1.1824 1.5002 1.5002 1.9671 1.9671 2.1815 2.1815 2.2280 2.2280 2.3280 2.3280 3.0503 3.0503 5.3567 5.3567 5.8165 5.8165 5.9888 5.9888 6.0208 6.0208 6.1105 6.1105 6.3348 6.3348 6.5477 6.5477 6.6702 6.6702 7.3257 7.3257 8.0299 8.0299 9.8156 9.8156 k = 0.3095 0.3095-0.0000 ( 5570 PWs) bands (ev): -17.2177 -17.2177 -17.0926 -17.0926 -17.0390 -17.0390 -15.2019 -15.2019 -15.1932 -15.1932 -15.0984 -15.0984 -6.8358 -6.8358 -6.4498 -6.4498 -6.3041 -6.3041 -5.8519 -5.8519 -5.8297 -5.8297 -3.7625 -3.7625 -3.7165 -3.7165 -3.6984 -3.6984 -2.7764 -2.7764 -2.7480 -2.7480 -2.6375 -2.6375 -2.5440 -2.5440 -2.1307 -2.1307 -2.0994 -2.0994 -1.9182 -1.9182 -1.8099 -1.8099 -1.3041 -1.3041 -1.2111 -1.2111 -0.8275 -0.8275 -0.7650 -0.7650 -0.4994 -0.4994 0.0291 0.0291 1.2184 1.2184 1.5304 1.5304 1.9835 1.9835 2.1774 2.1774 2.2262 2.2262 2.3303 2.3303 2.9997 2.9997 5.3094 5.3094 5.8054 5.8054 5.9822 5.9822 6.0012 6.0012 6.1015 6.1015 6.3258 6.3258 6.5320 6.5320 6.6551 6.6551 7.2988 7.2988 7.9874 7.9874 9.8449 9.8449 k = 0.2976 0.2976-0.0000 ( 5578 PWs) bands (ev): -17.2255 -17.2255 -17.0906 -17.0906 -17.0385 -17.0385 -15.1963 -15.1963 -15.1882 -15.1882 -15.0983 -15.0983 -6.8401 -6.8401 -6.4816 -6.4816 -6.3275 -6.3275 -5.8510 -5.8510 -5.8285 -5.8285 -3.7572 -3.7572 -3.7151 -3.7151 -3.6962 -3.6962 -2.7586 -2.7586 -2.7170 -2.7170 -2.6211 -2.6211 -2.5059 -2.5059 -2.1231 -2.1231 -2.0886 -2.0886 -1.9189 -1.9189 -1.8128 -1.8128 -1.3106 -1.3106 -1.2253 -1.2253 -0.8383 -0.8383 -0.7711 -0.7711 -0.4904 -0.4904 0.0070 0.0070 1.2561 1.2561 1.5613 1.5613 1.9992 1.9992 2.1727 2.1727 2.2251 2.2251 2.3327 2.3327 2.9481 2.9481 5.2602 5.2602 5.7957 5.7957 5.9733 5.9733 5.9833 5.9833 6.0927 6.0927 6.3164 6.3164 6.5110 6.5110 6.6436 6.6436 7.2685 7.2685 7.9451 7.9451 9.8735 9.8735 k = 0.2857 0.2857-0.0000 ( 5578 PWs) bands (ev): -17.2334 -17.2334 -17.0885 -17.0885 -17.0382 -17.0382 -15.1905 -15.1905 -15.1832 -15.1832 -15.0983 -15.0983 -6.8447 -6.8447 -6.5135 -6.5135 -6.3513 -6.3513 -5.8500 -5.8500 -5.8272 -5.8272 -3.7524 -3.7524 -3.7136 -3.7136 -3.6936 -3.6936 -2.7448 -2.7448 -2.6855 -2.6855 -2.6008 -2.6008 -2.4671 -2.4671 -2.1151 -2.1151 -2.0766 -2.0766 -1.9195 -1.9195 -1.8158 -1.8158 -1.3176 -1.3176 -1.2396 -1.2396 -0.8563 -0.8563 -0.7704 -0.7704 -0.4812 -0.4812 -0.0148 -0.0148 1.2955 1.2955 1.5928 1.5928 2.0138 2.0138 2.1674 2.1674 2.2246 2.2246 2.3353 2.3353 2.8957 2.8957 5.2099 5.2099 5.7868 5.7868 5.9560 5.9560 5.9735 5.9735 6.0840 6.0840 6.3064 6.3064 6.4858 6.4858 6.6346 6.6346 7.2354 7.2354 7.9033 7.9033 9.9012 9.9012 k = 0.2738 0.2738-0.0000 ( 5568 PWs) bands (ev): -17.2412 -17.2412 -17.0863 -17.0863 -17.0381 -17.0381 -15.1847 -15.1847 -15.1780 -15.1780 -15.0982 -15.0982 -6.8496 -6.8496 -6.5452 -6.5452 -6.3751 -6.3751 -5.8486 -5.8486 -5.8259 -5.8259 -3.7479 -3.7479 -3.7120 -3.7120 -3.6907 -3.6907 -2.7320 -2.7320 -2.6594 -2.6594 -2.5734 -2.5734 -2.4282 -2.4282 -2.1065 -2.1065 -2.0636 -2.0636 -1.9199 -1.9199 -1.8189 -1.8189 -1.3252 -1.3252 -1.2539 -1.2539 -0.8794 -0.8794 -0.7644 -0.7644 -0.4719 -0.4719 -0.0363 -0.0363 1.3361 1.3361 1.6247 1.6247 2.0274 2.0274 2.1615 2.1615 2.2250 2.2250 2.3380 2.3380 2.8429 2.8429 5.1590 5.1590 5.7783 5.7783 5.9349 5.9349 5.9674 5.9674 6.0757 6.0757 6.2961 6.2961 6.4572 6.4572 6.6272 6.6272 7.1999 7.1999 7.8620 7.8620 9.9277 9.9277 k = 0.2619 0.2619-0.0000 ( 5558 PWs) bands (ev): -17.2489 -17.2489 -17.0840 -17.0840 -17.0382 -17.0382 -15.1788 -15.1788 -15.1728 -15.1728 -15.0981 -15.0981 -6.8546 -6.8546 -6.5765 -6.5765 -6.3988 -6.3988 -5.8471 -5.8471 -5.8246 -5.8246 -3.7438 -3.7438 -3.7100 -3.7100 -3.6874 -3.6874 -2.7195 -2.7195 -2.6404 -2.6404 -2.5386 -2.5386 -2.3897 -2.3897 -2.0971 -2.0971 -2.0498 -2.0498 -1.9201 -1.9201 -1.8221 -1.8221 -1.3333 -1.3333 -1.2682 -1.2682 -0.9060 -0.9060 -0.7550 -0.7550 -0.4627 -0.4627 -0.0573 -0.0573 1.3779 1.3779 1.6567 1.6567 2.0396 2.0396 2.1551 2.1551 2.2262 2.2262 2.3407 2.3407 2.7902 2.7902 5.1081 5.1081 5.7697 5.7697 5.9129 5.9129 5.9624 5.9624 6.0679 6.0679 6.2853 6.2853 6.4260 6.4260 6.6206 6.6206 7.1625 7.1625 7.8213 7.8213 9.9529 9.9529 k = 0.2500 0.2500-0.0000 ( 5574 PWs) bands (ev): -17.2566 -17.2566 -17.0817 -17.0817 -17.0384 -17.0384 -15.1730 -15.1730 -15.1675 -15.1675 -15.0980 -15.0980 -6.8600 -6.8600 -6.6073 -6.6073 -6.4223 -6.4223 -5.8453 -5.8453 -5.8232 -5.8232 -3.7402 -3.7402 -3.7078 -3.7078 -3.6840 -3.6840 -2.7072 -2.7072 -2.6264 -2.6264 -2.4989 -2.4989 -2.3521 -2.3521 -2.0866 -2.0866 -2.0354 -2.0354 -1.9202 -1.9202 -1.8253 -1.8253 -1.3419 -1.3419 -1.2824 -1.2824 -0.9350 -0.9350 -0.7429 -0.7429 -0.4535 -0.4535 -0.0780 -0.0780 1.4203 1.4203 1.6886 1.6886 2.0504 2.0504 2.1483 2.1483 2.2282 2.2282 2.3434 2.3434 2.7378 2.7378 5.0578 5.0578 5.7606 5.7606 5.8906 5.8906 5.9583 5.9583 6.0606 6.0606 6.2743 6.2743 6.3923 6.3923 6.6145 6.6145 7.1238 7.1238 7.7814 7.7814 9.9766 9.9766 k = 0.2381 0.2381-0.0000 ( 5568 PWs) bands (ev): -17.2641 -17.2641 -17.0794 -17.0794 -17.0387 -17.0387 -15.1671 -15.1671 -15.1623 -15.1623 -15.0980 -15.0980 -6.8656 -6.8656 -6.6375 -6.6375 -6.4453 -6.4453 -5.8433 -5.8433 -5.8219 -5.8219 -3.7371 -3.7371 -3.7051 -3.7051 -3.6806 -3.6806 -2.6949 -2.6949 -2.6153 -2.6153 -2.4566 -2.4566 -2.3157 -2.3157 -2.0749 -2.0749 -2.0205 -2.0205 -1.9200 -1.9200 -1.8286 -1.8286 -1.3509 -1.3509 -1.2965 -1.2965 -0.9656 -0.9656 -0.7286 -0.7286 -0.4444 -0.4444 -0.0982 -0.0982 1.4631 1.4631 1.7203 1.7203 2.0595 2.0595 2.1412 2.1412 2.2311 2.2311 2.3461 2.3461 2.6862 2.6862 5.0086 5.0086 5.7506 5.7506 5.8682 5.8682 5.9553 5.9553 6.0540 6.0540 6.2629 6.2629 6.3568 6.3568 6.6087 6.6087 7.0842 7.0842 7.7422 7.7422 9.9988 9.9988 k = 0.2262 0.2262-0.0000 ( 5584 PWs) bands (ev): -17.2715 -17.2715 -17.0771 -17.0771 -17.0391 -17.0391 -15.1614 -15.1614 -15.1570 -15.1570 -15.0979 -15.0979 -6.8714 -6.8714 -6.6670 -6.6670 -6.4676 -6.4676 -5.8412 -5.8412 -5.8207 -5.8207 -3.7344 -3.7344 -3.7020 -3.7020 -3.6771 -3.6771 -2.6828 -2.6828 -2.6060 -2.6060 -2.4133 -2.4133 -2.2807 -2.2807 -2.0619 -2.0619 -2.0053 -2.0053 -1.9196 -1.9196 -1.8320 -1.8320 -1.3602 -1.3602 -1.3104 -1.3104 -0.9976 -0.9976 -0.7122 -0.7122 -0.4354 -0.4354 -0.1180 -0.1180 1.5059 1.5059 1.7513 1.7513 2.0667 2.0667 2.1339 2.1339 2.2348 2.2348 2.3488 2.3488 2.6359 2.6359 4.9607 4.9607 5.7394 5.7394 5.8457 5.8457 5.9535 5.9535 6.0480 6.0480 6.2511 6.2511 6.3199 6.3199 6.6031 6.6031 7.0441 7.0441 7.7037 7.7037 10.0196 10.0196 k = 0.2143 0.2143-0.0000 ( 5589 PWs) bands (ev): -17.2786 -17.2786 -17.0747 -17.0747 -17.0396 -17.0396 -15.1557 -15.1557 -15.1519 -15.1519 -15.0978 -15.0978 -6.8775 -6.8775 -6.6955 -6.6955 -6.4892 -6.4892 -5.8389 -5.8389 -5.8195 -5.8195 -3.7322 -3.7322 -3.6984 -3.6984 -3.6737 -3.6737 -2.6707 -2.6707 -2.5979 -2.5979 -2.3700 -2.3700 -2.2476 -2.2476 -2.0473 -2.0473 -1.9900 -1.9900 -1.9188 -1.9188 -1.8354 -1.8354 -1.3697 -1.3697 -1.3241 -1.3241 -1.0305 -1.0305 -0.6940 -0.6940 -0.4266 -0.4266 -0.1372 -0.1372 1.5482 1.5482 1.7816 1.7816 2.0719 2.0719 2.1264 2.1264 2.2393 2.2393 2.3515 2.3515 2.5875 2.5875 4.9148 4.9148 5.7269 5.7269 5.8235 5.8235 5.9528 5.9528 6.0424 6.0424 6.2385 6.2385 6.2828 6.2828 6.5977 6.5977 7.0040 7.0040 7.6662 7.6662 10.0388 10.0388 k = 0.2024 0.2024-0.0000 ( 5597 PWs) bands (ev): -17.2856 -17.2856 -17.0724 -17.0724 -17.0402 -17.0402 -15.1502 -15.1502 -15.1468 -15.1468 -15.0977 -15.0977 -6.8839 -6.8839 -6.7231 -6.7231 -6.5098 -6.5098 -5.8365 -5.8365 -5.8183 -5.8183 -3.7303 -3.7303 -3.6945 -3.6945 -3.6703 -3.6703 -2.6588 -2.6588 -2.5907 -2.5907 -2.3271 -2.3271 -2.2163 -2.2163 -2.0312 -2.0312 -1.9748 -1.9748 -1.9175 -1.9175 -1.8389 -1.8389 -1.3793 -1.3793 -1.3375 -1.3375 -1.0641 -1.0641 -0.6741 -0.6741 -0.4180 -0.4180 -0.1560 -0.1560 1.5896 1.5896 1.8109 1.8109 2.0747 2.0747 2.1190 2.1190 2.2447 2.2447 2.3540 2.3540 2.5417 2.5417 4.8711 4.8711 5.7131 5.7131 5.8015 5.8015 5.9527 5.9527 6.0369 6.0369 6.2226 6.2226 6.2489 6.2489 6.5924 6.5924 6.9641 6.9641 7.6295 7.6295 10.0565 10.0565 k = 0.1905 0.1905-0.0000 ( 5589 PWs) bands (ev): -17.2923 -17.2923 -17.0701 -17.0701 -17.0409 -17.0409 -15.1448 -15.1448 -15.1418 -15.1418 -15.0977 -15.0977 -6.8904 -6.8904 -6.7496 -6.7496 -6.5294 -6.5294 -5.8341 -5.8341 -5.8173 -5.8173 -3.7288 -3.7288 -3.6902 -3.6902 -3.6670 -3.6670 -2.6470 -2.6470 -2.5840 -2.5840 -2.2852 -2.2852 -2.1872 -2.1872 -2.0136 -2.0136 -1.9602 -1.9602 -1.9152 -1.9152 -1.8423 -1.8423 -1.3890 -1.3890 -1.3507 -1.3507 -1.0980 -1.0980 -0.6527 -0.6527 -0.4097 -0.4097 -0.1741 -0.1741 1.6294 1.6294 1.8388 1.8388 2.0748 2.0748 2.1116 2.1116 2.2510 2.2510 2.3565 2.3565 2.4994 2.4994 4.8300 4.8300 5.6981 5.6981 5.7800 5.7800 5.9525 5.9525 6.0312 6.0312 6.1964 6.1964 6.2267 6.2267 6.5873 6.5873 6.9248 6.9248 7.5939 7.5939 10.0728 10.0728 k = 0.1786 0.1786-0.0000 ( 5595 PWs) bands (ev): -17.2987 -17.2987 -17.0679 -17.0679 -17.0416 -17.0416 -15.1395 -15.1395 -15.1369 -15.1369 -15.0976 -15.0976 -6.8972 -6.8972 -6.7749 -6.7749 -6.5478 -6.5478 -5.8316 -5.8316 -5.8162 -5.8162 -3.7275 -3.7275 -3.6858 -3.6858 -3.6639 -3.6639 -2.6357 -2.6357 -2.5781 -2.5781 -2.2445 -2.2445 -2.1601 -2.1601 -1.9947 -1.9947 -1.9470 -1.9470 -1.9116 -1.9116 -1.8456 -1.8456 -1.3986 -1.3986 -1.3634 -1.3634 -1.1322 -1.1322 -0.6298 -0.6298 -0.4017 -0.4017 -0.1915 -0.1915 1.6670 1.6670 1.8653 1.8653 2.0719 2.0719 2.1044 2.1044 2.2582 2.2582 2.3588 2.3588 2.4615 2.4615 4.7917 4.7917 5.6821 5.6821 5.7591 5.7591 5.9502 5.9502 6.0251 6.0251 6.1653 6.1653 6.2130 6.2130 6.5823 6.5823 6.8862 6.8862 7.5594 7.5594 10.0877 10.0877 k = 0.1667 0.1667-0.0000 ( 5587 PWs) bands (ev): -17.3048 -17.3048 -17.0657 -17.0657 -17.0423 -17.0423 -15.1345 -15.1345 -15.1323 -15.1323 -15.0975 -15.0975 -6.9041 -6.9041 -6.7990 -6.7990 -6.5650 -6.5650 -5.8291 -5.8291 -5.8153 -5.8153 -3.7265 -3.7265 -3.6812 -3.6812 -3.6609 -3.6609 -2.6245 -2.6245 -2.5726 -2.5726 -2.2055 -2.2055 -2.1349 -2.1349 -1.9750 -1.9750 -1.9361 -1.9361 -1.9056 -1.9056 -1.8488 -1.8488 -1.4081 -1.4081 -1.3758 -1.3758 -1.1662 -1.1662 -0.6058 -0.6058 -0.3941 -0.3941 -0.2083 -0.2083 1.7015 1.7015 1.8901 1.8901 2.0659 2.0659 2.0973 2.0973 2.2661 2.2661 2.3609 2.3609 2.4291 2.4291 4.7565 4.7565 5.6653 5.6653 5.7389 5.7389 5.9427 5.9427 6.0193 6.0193 6.1383 6.1383 6.2018 6.2018 6.5775 6.5775 6.8486 6.8486 7.5260 7.5260 10.1013 10.1013 k = 0.1548 0.1548-0.0000 ( 5583 PWs) bands (ev): -17.3106 -17.3106 -17.0637 -17.0637 -17.0430 -17.0430 -15.1297 -15.1297 -15.1278 -15.1278 -15.0975 -15.0975 -6.9110 -6.9110 -6.8217 -6.8217 -6.5809 -6.5809 -5.8267 -5.8267 -5.8144 -5.8144 -3.7256 -3.7256 -3.6766 -3.6766 -3.6581 -3.6581 -2.6139 -2.6139 -2.5676 -2.5676 -2.1682 -2.1682 -2.1112 -2.1112 -1.9552 -1.9552 -1.9283 -1.9283 -1.8968 -1.8968 -1.8518 -1.8518 -1.4173 -1.4173 -1.3877 -1.3877 -1.1999 -1.1999 -0.5808 -0.5808 -0.3868 -0.3868 -0.2244 -0.2244 1.7320 1.7320 1.9131 1.9131 2.0571 2.0571 2.0905 2.0905 2.2749 2.2749 2.3624 2.3624 2.4031 2.4031 4.7247 4.7247 5.6480 5.6480 5.7195 5.7195 5.9258 5.9258 6.0158 6.0158 6.1191 6.1191 6.1915 6.1915 6.5728 6.5728 6.8122 6.8122 7.4940 7.4940 10.1137 10.1137 k = 0.1429 0.1429-0.0000 ( 5577 PWs) bands (ev): -17.3160 -17.3160 -17.0617 -17.0617 -17.0438 -17.0438 -15.1252 -15.1252 -15.1235 -15.1235 -15.0974 -15.0974 -6.9181 -6.9181 -6.8431 -6.8431 -6.5954 -6.5954 -5.8244 -5.8244 -5.8135 -5.8135 -3.7249 -3.7249 -3.6720 -3.6720 -3.6555 -3.6555 -2.6037 -2.6037 -2.5631 -2.5631 -2.1329 -2.1329 -2.0888 -2.0888 -1.9369 -1.9369 -1.9215 -1.9215 -1.8864 -1.8864 -1.8542 -1.8542 -1.4261 -1.4261 -1.3991 -1.3991 -1.2330 -1.2330 -0.5552 -0.5552 -0.3799 -0.3799 -0.2396 -0.2396 1.7572 1.7572 1.9340 1.9340 2.0464 2.0464 2.0840 2.0840 2.2843 2.2843 2.3624 2.3624 2.3849 2.3849 4.6962 4.6962 5.6305 5.6305 5.7010 5.7010 5.8985 5.8985 6.0161 6.0161 6.1078 6.1078 6.1820 6.1820 6.5684 6.5684 6.7771 6.7771 7.4633 7.4633 10.1249 10.1249 k = 0.1310 0.1310-0.0000 ( 5575 PWs) bands (ev): -17.3211 -17.3211 -17.0598 -17.0598 -17.0445 -17.0445 -15.1209 -15.1209 -15.1195 -15.1195 -15.0973 -15.0973 -6.9250 -6.9250 -6.8629 -6.8629 -6.6086 -6.6086 -5.8221 -5.8221 -5.8128 -5.8128 -3.7242 -3.7242 -3.6675 -3.6675 -3.6530 -3.6530 -2.5940 -2.5940 -2.5590 -2.5590 -2.0998 -2.0998 -2.0672 -2.0672 -1.9258 -1.9258 -1.9096 -1.9096 -1.8769 -1.8769 -1.8550 -1.8550 -1.4345 -1.4345 -1.4098 -1.4098 -1.2653 -1.2653 -0.5292 -0.5292 -0.3735 -0.3735 -0.2539 -0.2539 1.7755 1.7755 1.9528 1.9528 2.0355 2.0355 2.0778 2.0778 2.2941 2.2941 2.3587 2.3587 2.3765 2.3765 4.6713 4.6713 5.6130 5.6130 5.6836 5.6836 5.8639 5.8639 6.0192 6.0192 6.1025 6.1025 6.1732 6.1732 6.5641 6.5641 6.7436 6.7436 7.4342 7.4342 10.1349 10.1349 k = 0.1190 0.1190-0.0000 ( 5577 PWs) bands (ev): -17.3258 -17.3258 -17.0581 -17.0581 -17.0452 -17.0452 -15.1170 -15.1170 -15.1158 -15.1158 -15.0973 -15.0973 -6.9318 -6.9318 -6.8813 -6.8813 -6.6204 -6.6204 -5.8200 -5.8200 -5.8121 -5.8121 -3.7237 -3.7237 -3.6632 -3.6632 -3.6507 -3.6507 -2.5850 -2.5850 -2.5553 -2.5553 -2.0690 -2.0690 -2.0463 -2.0463 -1.9212 -1.9212 -1.8929 -1.8929 -1.8717 -1.8717 -1.8518 -1.8518 -1.4424 -1.4424 -1.4200 -1.4200 -1.2965 -1.2965 -0.5032 -0.5032 -0.3676 -0.3676 -0.2672 -0.2672 1.7857 1.7857 1.9695 1.9695 2.0265 2.0265 2.0721 2.0721 2.3043 2.3043 2.3532 2.3532 2.3753 2.3753 4.6499 4.6499 5.5957 5.5957 5.6673 5.6673 5.8254 5.8254 6.0238 6.0238 6.1015 6.1015 6.1653 6.1653 6.5600 6.5600 6.7118 6.7118 7.4069 7.4069 10.1439 10.1439 k = 0.1071 0.1071-0.0000 ( 5577 PWs) bands (ev): -17.3301 -17.3301 -17.0565 -17.0565 -17.0459 -17.0459 -15.1133 -15.1133 -15.1124 -15.1124 -15.0972 -15.0972 -6.9384 -6.9384 -6.8980 -6.8980 -6.6309 -6.6309 -5.8180 -5.8180 -5.8114 -5.8114 -3.7232 -3.7232 -3.6591 -3.6591 -3.6487 -3.6487 -2.5766 -2.5766 -2.5520 -2.5520 -2.0406 -2.0406 -2.0257 -2.0257 -1.9181 -1.9181 -1.8777 -1.8777 -1.8703 -1.8703 -1.8446 -1.8446 -1.4497 -1.4497 -1.4294 -1.4294 -1.3262 -1.3262 -0.4777 -0.4777 -0.3621 -0.3621 -0.2794 -0.2794 1.7870 1.7870 1.9840 1.9840 2.0214 2.0214 2.0668 2.0668 2.3144 2.3144 2.3502 2.3502 2.3765 2.3765 4.6320 4.6320 5.5788 5.5788 5.6523 5.6523 5.7859 5.7859 6.0290 6.0290 6.1032 6.1032 6.1582 6.1582 6.5562 6.5562 6.6819 6.6819 7.3814 7.3814 10.1519 10.1519 k = 0.0952 0.0952-0.0000 ( 5585 PWs) bands (ev): -17.3340 -17.3340 -17.0550 -17.0550 -17.0466 -17.0466 -15.1100 -15.1100 -15.1092 -15.1092 -15.0972 -15.0972 -6.9446 -6.9446 -6.9132 -6.9132 -6.6401 -6.6401 -5.8161 -5.8161 -5.8109 -5.8109 -3.7228 -3.7228 -3.6553 -3.6553 -3.6468 -3.6468 -2.5690 -2.5690 -2.5492 -2.5492 -2.0149 -2.0149 -2.0052 -2.0052 -1.9156 -1.9156 -1.8748 -1.8748 -1.8603 -1.8603 -1.8365 -1.8365 -1.4563 -1.4563 -1.4379 -1.4379 -1.3542 -1.3542 -0.4531 -0.4531 -0.3572 -0.3572 -0.2905 -0.2905 1.7801 1.7801 1.9964 1.9964 2.0205 2.0205 2.0621 2.0621 2.3242 2.3242 2.3501 2.3501 2.3783 2.3783 4.6174 4.6174 5.5624 5.5624 5.6385 5.6385 5.7472 5.7472 6.0341 6.0341 6.1066 6.1066 6.1521 6.1521 6.5526 6.5526 6.6541 6.6541 7.3579 7.3579 10.1589 10.1589 k = 0.0833 0.0833-0.0000 ( 5581 PWs) bands (ev): -17.3374 -17.3374 -17.0537 -17.0537 -17.0471 -17.0471 -15.1070 -15.1070 -15.1064 -15.1064 -15.0972 -15.0972 -6.9504 -6.9504 -6.9266 -6.9266 -6.6481 -6.6481 -5.8144 -5.8144 -5.8104 -5.8104 -3.7224 -3.7224 -3.6518 -3.6518 -3.6451 -3.6451 -2.5620 -2.5620 -2.5466 -2.5466 -1.9922 -1.9922 -1.9843 -1.9843 -1.9131 -1.9131 -1.8770 -1.8770 -1.8480 -1.8480 -1.8294 -1.8294 -1.4621 -1.4621 -1.4456 -1.4456 -1.3800 -1.3800 -0.4300 -0.4300 -0.3527 -0.3527 -0.3002 -0.3002 1.7673 1.7673 2.0068 2.0068 2.0229 2.0229 2.0579 2.0579 2.3335 2.3335 2.3523 2.3523 2.3805 2.3805 4.6059 4.6059 5.5467 5.5467 5.6262 5.6262 5.7107 5.7107 6.0389 6.0389 6.1110 6.1110 6.1471 6.1471 6.5493 6.5493 6.6288 6.6288 7.3367 7.3367 10.1651 10.1651 k = 0.0714 0.0714-0.0000 ( 5569 PWs) bands (ev): -17.3405 -17.3405 -17.0525 -17.0525 -17.0477 -17.0477 -15.1044 -15.1044 -15.1039 -15.1039 -15.0971 -15.0971 -6.9556 -6.9556 -6.9384 -6.9384 -6.6549 -6.6549 -5.8130 -5.8130 -5.8099 -5.8099 -3.7221 -3.7221 -3.6487 -3.6487 -3.6437 -3.6437 -2.5559 -2.5559 -2.5444 -2.5444 -1.9718 -1.9718 -1.9640 -1.9640 -1.9106 -1.9106 -1.8796 -1.8796 -1.8381 -1.8381 -1.8238 -1.8238 -1.4673 -1.4673 -1.4523 -1.4523 -1.4034 -1.4034 -0.4090 -0.4090 -0.3487 -0.3487 -0.3084 -0.3084 1.7511 1.7511 2.0154 2.0154 2.0270 2.0270 2.0544 2.0544 2.3420 2.3420 2.3558 2.3558 2.3831 2.3831 4.5972 4.5972 5.5316 5.5316 5.6154 5.6154 5.6777 5.6777 6.0430 6.0430 6.1160 6.1160 6.1431 6.1431 6.5464 6.5464 6.6059 6.6059 7.3178 7.3178 10.1703 10.1703 k = 0.0595 0.0595-0.0000 ( 5567 PWs) bands (ev): -17.3430 -17.3430 -17.0515 -17.0515 -17.0481 -17.0481 -15.1022 -15.1022 -15.1018 -15.1018 -15.0971 -15.0971 -6.9602 -6.9602 -6.9484 -6.9484 -6.6606 -6.6606 -5.8117 -5.8117 -5.8095 -5.8095 -3.7219 -3.7219 -3.6460 -3.6460 -3.6425 -3.6425 -2.5507 -2.5507 -2.5426 -2.5426 -1.9531 -1.9531 -1.9451 -1.9451 -1.9081 -1.9081 -1.8824 -1.8824 -1.8308 -1.8308 -1.8200 -1.8200 -1.4717 -1.4717 -1.4580 -1.4580 -1.4238 -1.4238 -0.3910 -0.3910 -0.3449 -0.3449 -0.3151 -0.3151 1.7340 1.7340 2.0223 2.0223 2.0313 2.0313 2.0518 2.0518 2.3495 2.3495 2.3596 2.3596 2.3860 2.3860 4.5909 4.5909 5.5174 5.5174 5.6061 5.6061 5.6491 5.6491 6.0464 6.0464 6.1211 6.1211 6.1400 6.1400 6.5439 6.5439 6.5860 6.5860 7.3016 7.3016 10.1747 10.1747 k = 0.0476 0.0476-0.0000 ( 5571 PWs) bands (ev): -17.3452 -17.3452 -17.0507 -17.0507 -17.0485 -17.0485 -15.1004 -15.1004 -15.1001 -15.1001 -15.0971 -15.0971 -6.9641 -6.9641 -6.9566 -6.9566 -6.6651 -6.6651 -5.8106 -5.8106 -5.8092 -5.8092 -3.7217 -3.7217 -3.6438 -3.6438 -3.6415 -3.6415 -2.5464 -2.5464 -2.5411 -2.5411 -1.9360 -1.9360 -1.9285 -1.9285 -1.9055 -1.9055 -1.8852 -1.8852 -1.8261 -1.8261 -1.8182 -1.8182 -1.4754 -1.4754 -1.4627 -1.4627 -1.4410 -1.4410 -0.3769 -0.3769 -0.3410 -0.3410 -0.3200 -0.3200 1.7178 1.7178 2.0279 2.0279 2.0348 2.0348 2.0502 2.0502 2.3561 2.3561 2.3630 2.3630 2.3891 2.3891 4.5866 4.5866 5.5044 5.5044 5.5984 5.5984 5.6255 5.6255 6.0491 6.0491 6.1258 6.1258 6.1379 6.1379 6.5417 6.5417 6.5691 6.5691 7.2880 7.2880 10.1782 10.1782 k = 0.0357 0.0357-0.0000 ( 5569 PWs) bands (ev): -17.3468 -17.3468 -17.0500 -17.0500 -17.0488 -17.0488 -15.0990 -15.0990 -15.0987 -15.0987 -15.0970 -15.0970 -6.9672 -6.9672 -6.9630 -6.9630 -6.6686 -6.6686 -5.8098 -5.8098 -5.8090 -5.8090 -3.7215 -3.7215 -3.6420 -3.6420 -3.6407 -3.6407 -2.5430 -2.5430 -2.5400 -2.5400 -1.9209 -1.9209 -1.9144 -1.9144 -1.9028 -1.9028 -1.8879 -1.8879 -1.8237 -1.8237 -1.8184 -1.8184 -1.4785 -1.4785 -1.4662 -1.4662 -1.4544 -1.4544 -0.3675 -0.3675 -0.3363 -0.3363 -0.3232 -0.3232 1.7040 1.7040 2.0322 2.0322 2.0368 2.0368 2.0498 2.0498 2.3614 2.3614 2.3656 2.3656 2.3921 2.3921 4.5838 4.5838 5.4932 5.4932 5.5924 5.5924 5.6074 5.6074 6.0510 6.0510 6.1297 6.1297 6.1366 6.1366 6.5400 6.5400 6.5556 6.5556 7.2773 7.2773 10.1810 10.1810 k = 0.0238 0.0238-0.0000 ( 5551 PWs) bands (ev): -17.3480 -17.3480 -17.0496 -17.0496 -17.0490 -17.0490 -15.0980 -15.0980 -15.0977 -15.0977 -15.0970 -15.0970 -6.9695 -6.9695 -6.9676 -6.9676 -6.6711 -6.6711 -5.8092 -5.8092 -5.8088 -5.8088 -3.7214 -3.7214 -3.6407 -3.6407 -3.6401 -3.6401 -2.5404 -2.5404 -2.5391 -2.5391 -1.9092 -1.9092 -1.9034 -1.9034 -1.8995 -1.8995 -1.8904 -1.8904 -1.8228 -1.8228 -1.8200 -1.8200 -1.4811 -1.4811 -1.4688 -1.4688 -1.4638 -1.4638 -0.3627 -0.3627 -0.3314 -0.3314 -0.3251 -0.3251 1.6934 1.6934 2.0352 2.0352 2.0375 2.0375 2.0503 2.0503 2.3654 2.3654 2.3674 2.3674 2.3947 2.3947 4.5822 4.5822 5.4843 5.4843 5.5881 5.5881 5.5946 5.5946 6.0523 6.0523 6.1328 6.1328 6.1359 6.1359 6.5388 6.5388 6.5458 6.5458 7.2695 7.2695 10.1829 10.1829 k = 0.0119 0.0119-0.0000 ( 5559 PWs) bands (ev): -17.3487 -17.3487 -17.0493 -17.0493 -17.0491 -17.0491 -15.0974 -15.0974 -15.0971 -15.0971 -15.0969 -15.0969 -6.9708 -6.9708 -6.9704 -6.9704 -6.6726 -6.6726 -5.8088 -5.8088 -5.8087 -5.8087 -3.7213 -3.7213 -3.6399 -3.6399 -3.6398 -3.6398 -2.5390 -2.5390 -2.5387 -2.5387 -1.9024 -1.9024 -1.8978 -1.8978 -1.8946 -1.8946 -1.8919 -1.8919 -1.8229 -1.8229 -1.8220 -1.8220 -1.4830 -1.4830 -1.4703 -1.4703 -1.4691 -1.4691 -0.3607 -0.3607 -0.3276 -0.3276 -0.3260 -0.3260 1.6869 1.6869 2.0370 2.0370 2.0376 2.0376 2.0510 2.0510 2.3679 2.3679 2.3684 2.3684 2.3964 2.3964 4.5814 4.5814 5.4786 5.4786 5.5855 5.5855 5.5871 5.5871 6.0531 6.0531 6.1347 6.1347 6.1355 6.1355 6.5381 6.5381 6.5399 6.5399 7.2648 7.2648 10.1841 10.1841 k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -17.3489 -17.3489 -17.0492 -17.0492 -17.0492 -17.0492 -15.0973 -15.0973 -15.0969 -15.0969 -15.0969 -15.0969 -6.9713 -6.9713 -6.9713 -6.9713 -6.6730 -6.6730 -5.8087 -5.8087 -5.8087 -5.8087 -3.7213 -3.7213 -3.6396 -3.6396 -3.6396 -3.6396 -2.5386 -2.5386 -2.5386 -2.5386 -1.8999 -1.8999 -1.8977 -1.8977 -1.8919 -1.8919 -1.8919 -1.8919 -1.8230 -1.8230 -1.8230 -1.8230 -1.4837 -1.4837 -1.4708 -1.4708 -1.4708 -1.4708 -0.3602 -0.3602 -0.3262 -0.3262 -0.3262 -0.3262 1.6846 1.6846 2.0376 2.0376 2.0376 2.0376 2.0512 2.0512 2.3688 2.3688 2.3688 2.3688 2.3970 2.3970 4.5812 4.5812 5.4766 5.4766 5.5846 5.5846 5.5846 5.5846 6.0533 6.0533 6.1353 6.1353 6.1353 6.1353 6.5378 6.5378 6.5378 6.5378 7.2633 7.2633 10.1844 10.1844 k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -17.3489 -17.3489 -17.0492 -17.0492 -17.0492 -17.0492 -15.0973 -15.0973 -15.0969 -15.0969 -15.0969 -15.0969 -6.9713 -6.9713 -6.9713 -6.9713 -6.6730 -6.6730 -5.8087 -5.8087 -5.8087 -5.8087 -3.7213 -3.7213 -3.6396 -3.6396 -3.6396 -3.6396 -2.5386 -2.5386 -2.5386 -2.5386 -1.8999 -1.8999 -1.8977 -1.8977 -1.8919 -1.8919 -1.8919 -1.8919 -1.8230 -1.8230 -1.8230 -1.8230 -1.4837 -1.4837 -1.4708 -1.4708 -1.4708 -1.4708 -0.3602 -0.3602 -0.3262 -0.3262 -0.3262 -0.3262 1.6846 1.6846 2.0376 2.0376 2.0376 2.0376 2.0512 2.0512 2.3688 2.3688 2.3688 2.3688 2.3970 2.3970 4.5812 4.5812 5.4766 5.4766 5.5846 5.5846 5.5846 5.5846 6.0533 6.0533 6.1353 6.1353 6.1353 6.1353 6.5378 6.5378 6.5378 6.5378 7.2633 7.2633 10.1844 10.1844 k = 0.0098 0.0098 0.0098 ( 5560 PWs) bands (ev): -17.3487 -17.3487 -17.0492 -17.0492 -17.0492 -17.0492 -15.0974 -15.0974 -15.0970 -15.0970 -15.0970 -15.0970 -6.9706 -6.9706 -6.9706 -6.9706 -6.6725 -6.6725 -5.8088 -5.8088 -5.8088 -5.8088 -3.7213 -3.7213 -3.6399 -3.6399 -3.6398 -3.6398 -2.5388 -2.5388 -2.5388 -2.5388 -1.9025 -1.9025 -1.8974 -1.8974 -1.8943 -1.8943 -1.8928 -1.8928 -1.8226 -1.8226 -1.8223 -1.8223 -1.4830 -1.4830 -1.4702 -1.4702 -1.4691 -1.4691 -0.3607 -0.3607 -0.3277 -0.3277 -0.3259 -0.3259 1.6869 1.6869 2.0370 2.0370 2.0376 2.0376 2.0510 2.0510 2.3679 2.3679 2.3685 2.3685 2.3964 2.3964 4.5814 4.5814 5.4786 5.4786 5.5855 5.5855 5.5872 5.5872 6.0531 6.0531 6.1350 6.1350 6.1352 6.1352 6.5390 6.5390 6.5390 6.5390 7.2649 7.2649 10.1840 10.1840 k = 0.0196 0.0196 0.0196 ( 5551 PWs) bands (ev): -17.3480 -17.3480 -17.0493 -17.0493 -17.0493 -17.0493 -15.0978 -15.0978 -15.0975 -15.0975 -15.0974 -15.0974 -6.9685 -6.9685 -6.9684 -6.9684 -6.6711 -6.6711 -5.8091 -5.8091 -5.8089 -5.8089 -3.7214 -3.7214 -3.6405 -3.6405 -3.6403 -3.6403 -2.5398 -2.5398 -2.5397 -2.5397 -1.9084 -1.9084 -1.9010 -1.9010 -1.8998 -1.8998 -1.8941 -1.8941 -1.8216 -1.8216 -1.8206 -1.8206 -1.4812 -1.4812 -1.4678 -1.4678 -1.4643 -1.4643 -0.3630 -0.3630 -0.3314 -0.3314 -0.3249 -0.3249 1.6935 1.6935 2.0350 2.0350 2.0377 2.0377 2.0503 2.0503 2.3653 2.3653 2.3675 2.3675 2.3947 2.3947 4.5823 4.5823 5.4844 5.4844 5.5880 5.5880 5.5950 5.5950 6.0524 6.0524 6.1341 6.1341 6.1345 6.1345 6.5423 6.5423 6.5425 6.5425 7.2696 7.2696 10.1829 10.1829 k = 0.0294 0.0294 0.0294 ( 5554 PWs) bands (ev): -17.3468 -17.3468 -17.0494 -17.0494 -17.0494 -17.0494 -15.0985 -15.0985 -15.0982 -15.0982 -15.0981 -15.0981 -6.9651 -6.9651 -6.9649 -6.9649 -6.6686 -6.6686 -5.8096 -5.8096 -5.8092 -5.8092 -3.7215 -3.7215 -3.6416 -3.6416 -3.6411 -3.6411 -2.5417 -2.5417 -2.5412 -2.5412 -1.9167 -1.9167 -1.9109 -1.9109 -1.9061 -1.9061 -1.8949 -1.8949 -1.8210 -1.8210 -1.8192 -1.8192 -1.4799 -1.4799 -1.4625 -1.4625 -1.4562 -1.4562 -0.3690 -0.3690 -0.3351 -0.3351 -0.3232 -0.3232 1.7041 1.7041 2.0315 2.0315 2.0378 2.0378 2.0494 2.0494 2.3611 2.3611 2.3659 2.3659 2.3920 2.3920 4.5840 4.5840 5.4933 5.4933 5.5922 5.5922 5.6082 5.6082 6.0513 6.0513 6.1326 6.1326 6.1334 6.1334 6.5479 6.5479 6.5483 6.5483 7.2775 7.2775 10.1809 10.1809 k = 0.0392 0.0392 0.0392 ( 5572 PWs) bands (ev): -17.3451 -17.3451 -17.0496 -17.0496 -17.0496 -17.0496 -15.0995 -15.0995 -15.0992 -15.0992 -15.0990 -15.0990 -6.9602 -6.9602 -6.9599 -6.9599 -6.6651 -6.6651 -5.8104 -5.8104 -5.8096 -5.8096 -3.7217 -3.7217 -3.6432 -3.6432 -3.6421 -3.6421 -2.5442 -2.5442 -2.5435 -2.5435 -1.9269 -1.9269 -1.9230 -1.9230 -1.9151 -1.9151 -1.8959 -1.8959 -1.8213 -1.8213 -1.8189 -1.8189 -1.4796 -1.4796 -1.4536 -1.4536 -1.4451 -1.4451 -0.3810 -0.3810 -0.3363 -0.3363 -0.3208 -0.3208 1.7178 1.7178 2.0263 2.0263 2.0379 2.0379 2.0486 2.0486 2.3556 2.3556 2.3637 2.3637 2.3887 2.3887 4.5869 4.5869 5.5046 5.5046 5.5981 5.5981 5.6271 5.6271 6.0498 6.0498 6.1306 6.1306 6.1320 6.1320 6.5555 6.5555 6.5562 6.5562 7.2883 7.2883 10.1781 10.1781 k = 0.0490 0.0490 0.0490 ( 5581 PWs) bands (ev): -17.3429 -17.3429 -17.0498 -17.0498 -17.0498 -17.0498 -15.1007 -15.1007 -15.1004 -15.1004 -15.1002 -15.1002 -6.9540 -6.9540 -6.9536 -6.9536 -6.6607 -6.6607 -5.8113 -5.8113 -5.8100 -5.8100 -3.7219 -3.7219 -3.6451 -3.6451 -3.6435 -3.6435 -2.5474 -2.5474 -2.5462 -2.5462 -1.9385 -1.9385 -1.9366 -1.9366 -1.9265 -1.9265 -1.8971 -1.8971 -1.8232 -1.8232 -1.8203 -1.8203 -1.4801 -1.4801 -1.4413 -1.4413 -1.4309 -1.4309 -0.3986 -0.3986 -0.3349 -0.3349 -0.3178 -0.3178 1.7333 1.7333 2.0195 2.0195 2.0381 2.0381 2.0480 2.0480 2.3493 2.3493 2.3609 2.3609 2.3849 2.3849 4.5916 4.5916 5.5175 5.5175 5.6055 5.6055 5.6516 5.6516 6.0482 6.0482 6.1284 6.1284 6.1304 6.1304 6.5651 6.5651 6.5661 6.5661 7.3021 7.3021 10.1745 10.1745 k = 0.0588 0.0588 0.0588 ( 5575 PWs) bands (ev): -17.3403 -17.3403 -17.0501 -17.0501 -17.0501 -17.0501 -15.1022 -15.1022 -15.1020 -15.1020 -15.1016 -15.1016 -6.9465 -6.9465 -6.9458 -6.9458 -6.6553 -6.6553 -5.8124 -5.8124 -5.8106 -5.8106 -3.7221 -3.7221 -3.6475 -3.6475 -3.6451 -3.6451 -2.5511 -2.5511 -2.5496 -2.5496 -1.9512 -1.9512 -1.9512 -1.9512 -1.9403 -1.9403 -1.8985 -1.8985 -1.8270 -1.8270 -1.8236 -1.8236 -1.4813 -1.4813 -1.4261 -1.4261 -1.4140 -1.4140 -0.4205 -0.4205 -0.3316 -0.3316 -0.3141 -0.3141 1.7486 1.7486 2.0119 2.0119 2.0383 2.0383 2.0475 2.0475 2.3432 2.3432 2.3575 2.3575 2.3808 2.3808 4.5984 4.5984 5.5316 5.5316 5.6144 5.6144 5.6815 5.6815 6.0464 6.0464 6.1261 6.1261 6.1288 6.1288 6.5766 6.5766 6.5780 6.5780 7.3185 7.3185 10.1701 10.1701 k = 0.0686 0.0686 0.0686 ( 5578 PWs) bands (ev): -17.3372 -17.3372 -17.0504 -17.0504 -17.0504 -17.0504 -15.1040 -15.1040 -15.1038 -15.1038 -15.1033 -15.1033 -6.9376 -6.9376 -6.9367 -6.9367 -6.6489 -6.6489 -5.8137 -5.8137 -5.8112 -5.8112 -3.7224 -3.7224 -3.6502 -3.6502 -3.6469 -3.6469 -2.5555 -2.5555 -2.5535 -2.5535 -1.9664 -1.9664 -1.9648 -1.9648 -1.9561 -1.9561 -1.9002 -1.9002 -1.8329 -1.8329 -1.8291 -1.8291 -1.4832 -1.4832 -1.4081 -1.4081 -1.3944 -1.3944 -0.4457 -0.4457 -0.3270 -0.3270 -0.3098 -0.3098 1.7610 1.7610 2.0049 2.0049 2.0386 2.0386 2.0471 2.0471 2.3382 2.3382 2.3536 2.3536 2.3763 2.3763 4.6080 4.6080 5.5466 5.5466 5.6248 5.6248 5.7158 5.7158 6.0448 6.0448 6.1240 6.1240 6.1272 6.1272 6.5898 6.5898 6.5917 6.5917 7.3375 7.3375 10.1649 10.1649 k = 0.0784 0.0784 0.0784 ( 5572 PWs) bands (ev): -17.3337 -17.3337 -17.0508 -17.0508 -17.0507 -17.0507 -15.1061 -15.1061 -15.1058 -15.1058 -15.1052 -15.1052 -6.9275 -6.9275 -6.9262 -6.9262 -6.6416 -6.6416 -5.8151 -5.8151 -5.8120 -5.8120 -3.7228 -3.7228 -3.6532 -3.6532 -3.6490 -3.6490 -2.5605 -2.5605 -2.5579 -2.5579 -1.9822 -1.9822 -1.9800 -1.9800 -1.9731 -1.9731 -1.9020 -1.9020 -1.8409 -1.8409 -1.8368 -1.8368 -1.4859 -1.4859 -1.3876 -1.3876 -1.3724 -1.3724 -0.4734 -0.4734 -0.3214 -0.3214 -0.3048 -0.3048 1.7669 1.7669 2.0009 2.0009 2.0390 2.0390 2.0468 2.0468 2.3353 2.3353 2.3491 2.3491 2.3717 2.3717 4.6206 4.6206 5.5625 5.5625 5.6366 5.6366 5.7538 5.7538 6.0434 6.0434 6.1224 6.1224 6.1257 6.1257 6.6046 6.6046 6.6069 6.6069 7.3588 7.3588 10.1588 10.1588 k = 0.0882 0.0882 0.0882 ( 5578 PWs) bands (ev): -17.3297 -17.3297 -17.0512 -17.0512 -17.0511 -17.0511 -15.1084 -15.1084 -15.1081 -15.1081 -15.1073 -15.1073 -6.9160 -6.9160 -6.9144 -6.9144 -6.6334 -6.6334 -5.8167 -5.8167 -5.8128 -5.8128 -3.7232 -3.7232 -3.6566 -3.6566 -3.6513 -3.6513 -2.5660 -2.5660 -2.5629 -2.5629 -1.9984 -1.9984 -1.9983 -1.9983 -1.9895 -1.9895 -1.9041 -1.9041 -1.8509 -1.8509 -1.8465 -1.8465 -1.4895 -1.4895 -1.3649 -1.3649 -1.3484 -1.3484 -0.5027 -0.5027 -0.3149 -0.3149 -0.2992 -0.2992 1.7627 1.7627 2.0019 2.0019 2.0394 2.0394 2.0466 2.0466 2.3354 2.3354 2.3440 2.3440 2.3673 2.3673 4.6367 4.6367 5.5793 5.5793 5.6497 5.6497 5.7942 5.7942 6.0425 6.0425 6.1217 6.1217 6.1246 6.1246 6.6207 6.6207 6.6236 6.6236 7.3823 7.3823 10.1519 10.1519 k = 0.0980 0.0980 0.0980 ( 5578 PWs) bands (ev): -17.3253 -17.3253 -17.0516 -17.0516 -17.0516 -17.0516 -15.1110 -15.1110 -15.1107 -15.1107 -15.1097 -15.1097 -6.9033 -6.9033 -6.9013 -6.9013 -6.6243 -6.6243 -5.8185 -5.8185 -5.8137 -5.8137 -3.7237 -3.7237 -3.6602 -3.6602 -3.6536 -3.6536 -2.5721 -2.5721 -2.5684 -2.5684 -2.0204 -2.0204 -2.0147 -2.0147 -2.0049 -2.0049 -1.9065 -1.9065 -1.8626 -1.8626 -1.8582 -1.8582 -1.4941 -1.4941 -1.3401 -1.3401 -1.3224 -1.3224 -0.5331 -0.5331 -0.3076 -0.3076 -0.2930 -0.2930 1.7463 1.7463 2.0085 2.0085 2.0398 2.0398 2.0465 2.0465 2.3382 2.3382 2.3385 2.3385 2.3646 2.3646 4.6564 4.6564 5.5970 5.5970 5.6639 5.6639 5.8357 5.8357 6.0425 6.0425 6.1223 6.1223 6.1238 6.1238 6.6382 6.6382 6.6416 6.6416 7.4077 7.4077 10.1440 10.1440 k = 0.1078 0.1078 0.1078 ( 5581 PWs) bands (ev): -17.3205 -17.3205 -17.0521 -17.0521 -17.0520 -17.0520 -15.1138 -15.1138 -15.1135 -15.1135 -15.1123 -15.1123 -6.8893 -6.8893 -6.8870 -6.8870 -6.6143 -6.6143 -5.8204 -5.8204 -5.8146 -5.8146 -3.7242 -3.7242 -3.6641 -3.6641 -3.6562 -3.6562 -2.5787 -2.5787 -2.5744 -2.5744 -2.0448 -2.0448 -2.0314 -2.0314 -2.0201 -2.0201 -1.9094 -1.9094 -1.8756 -1.8756 -1.8715 -1.8715 -1.4999 -1.4999 -1.3135 -1.3135 -1.2947 -1.2947 -0.5639 -0.5639 -0.2996 -0.2996 -0.2861 -0.2861 1.7183 1.7183 2.0191 2.0191 2.0404 2.0404 2.0465 2.0465 2.3324 2.3324 2.3402 2.3402 2.3683 2.3683 4.6800 4.6800 5.6155 5.6155 5.6792 5.6792 5.8766 5.8766 6.0439 6.0439 6.1236 6.1236 6.1250 6.1250 6.6568 6.6568 6.6608 6.6608 7.4349 7.4349 10.1354 10.1354 k = 0.1176 0.1176 0.1176 ( 5581 PWs) bands (ev): -17.3153 -17.3153 -17.0526 -17.0526 -17.0525 -17.0525 -15.1168 -15.1168 -15.1165 -15.1165 -15.1151 -15.1151 -6.8742 -6.8742 -6.8714 -6.8714 -6.6035 -6.6035 -5.8224 -5.8224 -5.8156 -5.8156 -3.7248 -3.7248 -3.6682 -3.6682 -3.6587 -3.6587 -2.5857 -2.5857 -2.5809 -2.5809 -2.0713 -2.0713 -2.0484 -2.0484 -2.0358 -2.0358 -1.9135 -1.9135 -1.8889 -1.8889 -1.8863 -1.8863 -1.5072 -1.5072 -1.2852 -1.2852 -1.2656 -1.2656 -0.5945 -0.5945 -0.2909 -0.2909 -0.2787 -0.2787 1.6805 1.6805 2.0306 2.0306 2.0410 2.0410 2.0469 2.0469 2.3259 2.3259 2.3374 2.3374 2.3832 2.3832 4.7074 4.7074 5.6348 5.6348 5.6955 5.6955 5.9149 5.9149 6.0473 6.0473 6.1239 6.1239 6.1309 6.1309 6.6764 6.6764 6.6811 6.6811 7.4637 7.4637 10.1258 10.1258 k = 0.1275 0.1275 0.1275 ( 5581 PWs) bands (ev): -17.3097 -17.3097 -17.0532 -17.0532 -17.0531 -17.0531 -15.1200 -15.1200 -15.1197 -15.1197 -15.1181 -15.1181 -6.8579 -6.8579 -6.8545 -6.8545 -6.5919 -6.5919 -5.8245 -5.8245 -5.8166 -5.8166 -3.7255 -3.7255 -3.6725 -3.6725 -3.6614 -3.6614 -2.5931 -2.5931 -2.5878 -2.5878 -2.0995 -2.0995 -2.0659 -2.0659 -2.0519 -2.0519 -1.9211 -1.9211 -1.9023 -1.9023 -1.8999 -1.8999 -1.5160 -1.5160 -1.2556 -1.2556 -1.2352 -1.2352 -0.6244 -0.6244 -0.2816 -0.2816 -0.2707 -0.2707 1.6349 1.6349 2.0400 2.0400 2.0417 2.0417 2.0484 2.0484 2.3189 2.3189 2.3315 2.3315 2.4079 2.4079 4.7388 4.7388 5.6549 5.6549 5.7126 5.7126 5.9475 5.9475 6.0534 6.0534 6.1248 6.1248 6.1418 6.1418 6.6969 6.6969 6.7024 6.7024 7.4940 7.4940 10.1154 10.1154 k = 0.1373 0.1373 0.1373 ( 5587 PWs) bands (ev): -17.3037 -17.3037 -17.0538 -17.0538 -17.0536 -17.0536 -15.1234 -15.1234 -15.1232 -15.1232 -15.1213 -15.1213 -6.8405 -6.8405 -6.8366 -6.8366 -6.5794 -6.5794 -5.8267 -5.8267 -5.8177 -5.8177 -3.7262 -3.7262 -3.6769 -3.6769 -3.6640 -3.6640 -2.6010 -2.6010 -2.5951 -2.5951 -2.1294 -2.1294 -2.0839 -2.0839 -2.0690 -2.0690 -1.9340 -1.9340 -1.9192 -1.9192 -1.9063 -1.9063 -1.5266 -1.5266 -1.2247 -1.2247 -1.2037 -1.2037 -0.6532 -0.6532 -0.2717 -0.2717 -0.2622 -0.2622 1.5832 1.5832 2.0426 2.0426 2.0441 2.0441 2.0527 2.0527 2.3114 2.3114 2.3242 2.3242 2.4406 2.4406 4.7739 4.7739 5.6757 5.6757 5.7305 5.7305 5.9723 5.9723 6.0620 6.0620 6.1264 6.1264 6.1600 6.1600 6.7181 6.7181 6.7245 6.7245 7.5257 7.5257 10.1040 10.1040 k = 0.1471 0.1471 0.1471 ( 5563 PWs) bands (ev): -17.2974 -17.2974 -17.0544 -17.0544 -17.0542 -17.0542 -15.1271 -15.1271 -15.1268 -15.1268 -15.1247 -15.1247 -6.8220 -6.8220 -6.8174 -6.8174 -6.5663 -6.5663 -5.8290 -5.8290 -5.8188 -5.8188 -3.7270 -3.7270 -3.6814 -3.6814 -3.6665 -3.6665 -2.6090 -2.6090 -2.6028 -2.6028 -2.1607 -2.1607 -2.1027 -2.1027 -2.0870 -2.0870 -1.9500 -1.9500 -1.9367 -1.9367 -1.9097 -1.9097 -1.5392 -1.5392 -1.1928 -1.1928 -1.1712 -1.1712 -0.6803 -0.6803 -0.2612 -0.2612 -0.2531 -0.2531 1.5265 1.5265 2.0436 2.0436 2.0453 2.0453 2.0571 2.0571 2.3034 2.3034 2.3160 2.3160 2.4801 2.4801 4.8126 4.8126 5.6970 5.6970 5.7491 5.7491 5.9891 5.9891 6.0717 6.0717 6.1286 6.1286 6.1866 6.1866 6.7401 6.7401 6.7474 6.7474 7.5586 7.5586 10.0918 10.0918 k = 0.1569 0.1569 0.1569 ( 5575 PWs) bands (ev): -17.2908 -17.2908 -17.0550 -17.0550 -17.0549 -17.0549 -15.1309 -15.1309 -15.1306 -15.1306 -15.1283 -15.1283 -6.8025 -6.8025 -6.7972 -6.7972 -6.5524 -6.5524 -5.8313 -5.8313 -5.8198 -5.8198 -3.7279 -3.7279 -3.6859 -3.6859 -3.6690 -3.6690 -2.6175 -2.6175 -2.6109 -2.6109 -2.1934 -2.1934 -2.1225 -2.1225 -2.1066 -2.1066 -1.9671 -1.9671 -1.9545 -1.9545 -1.9121 -1.9121 -1.5539 -1.5539 -1.1600 -1.1600 -1.1380 -1.1380 -0.7054 -0.7054 -0.2502 -0.2502 -0.2435 -0.2435 1.4658 1.4658 2.0448 2.0448 2.0461 2.0461 2.0593 2.0593 2.2949 2.2949 2.3072 2.3072 2.5251 2.5251 4.8548 4.8548 5.7187 5.7187 5.7681 5.7681 6.0007 6.0007 6.0808 6.0808 6.1316 6.1316 6.2202 6.2202 6.7627 6.7627 6.7709 6.7709 7.5925 7.5925 10.0788 10.0788 k = 0.1667 0.1667 0.1667 ( 5557 PWs) bands (ev): -17.2839 -17.2839 -17.0556 -17.0556 -17.0555 -17.0555 -15.1348 -15.1348 -15.1345 -15.1345 -15.1321 -15.1321 -6.7821 -6.7821 -6.7760 -6.7760 -6.5379 -6.5379 -5.8336 -5.8336 -5.8209 -5.8209 -3.7289 -3.7289 -3.6905 -3.6905 -3.6714 -3.6714 -2.6262 -2.6262 -2.6192 -2.6192 -2.2272 -2.2272 -2.1436 -2.1436 -2.1279 -2.1279 -1.9840 -1.9840 -1.9721 -1.9721 -1.9139 -1.9139 -1.5707 -1.5707 -1.1265 -1.1265 -1.1042 -1.1042 -0.7282 -0.7282 -0.2387 -0.2387 -0.2333 -0.2333 1.4018 1.4018 2.0462 2.0462 2.0470 2.0470 2.0591 2.0591 2.2859 2.2859 2.2977 2.2977 2.5747 2.5747 4.9001 4.9001 5.7408 5.7408 5.7876 5.7876 6.0098 6.0098 6.0891 6.0891 6.1352 6.1352 6.2582 6.2582 6.7858 6.7858 6.7950 6.7950 7.6276 7.6276 10.0649 10.0649 k = 0.1765 0.1765 0.1765 ( 5575 PWs) bands (ev): -17.2766 -17.2766 -17.0563 -17.0563 -17.0561 -17.0561 -15.1389 -15.1389 -15.1387 -15.1387 -15.1360 -15.1360 -6.7607 -6.7607 -6.7538 -6.7538 -6.5228 -6.5228 -5.8359 -5.8359 -5.8219 -5.8219 -3.7299 -3.7299 -3.6951 -3.6951 -3.6736 -3.6736 -2.6353 -2.6353 -2.6280 -2.6280 -2.2621 -2.2621 -2.1662 -2.1662 -2.1513 -2.1513 -2.0004 -2.0004 -1.9893 -1.9893 -1.9154 -1.9154 -1.5898 -1.5898 -1.0925 -1.0925 -1.0700 -1.0700 -0.7486 -0.7486 -0.2267 -0.2267 -0.2226 -0.2226 1.3352 1.3352 2.0478 2.0478 2.0480 2.0480 2.0568 2.0568 2.2764 2.2764 2.2877 2.2877 2.6279 2.6279 4.9482 4.9482 5.7631 5.7631 5.8074 5.8074 6.0182 6.0182 6.0969 6.0969 6.1395 6.1395 6.2980 6.2980 6.8093 6.8093 6.8196 6.8196 7.6636 7.6636 10.0501 10.0501 k = 0.1863 0.1863 0.1863 ( 5563 PWs) bands (ev): -17.2692 -17.2692 -17.0570 -17.0570 -17.0568 -17.0568 -15.1432 -15.1432 -15.1429 -15.1429 -15.1400 -15.1400 -6.7385 -6.7385 -6.7307 -6.7307 -6.5071 -6.5071 -5.8382 -5.8382 -5.8229 -5.8229 -3.7310 -3.7310 -3.6996 -3.6996 -3.6756 -3.6756 -2.6444 -2.6444 -2.6369 -2.6369 -2.2978 -2.2978 -2.1904 -2.1904 -2.1767 -2.1767 -2.0156 -2.0156 -2.0055 -2.0055 -1.9166 -1.9166 -1.6109 -1.6109 -1.0581 -1.0581 -1.0354 -1.0354 -0.7663 -0.7663 -0.2142 -0.2142 -0.2114 -0.2114 1.2665 1.2665 2.0491 2.0491 2.0497 2.0497 2.0530 2.0530 2.2664 2.2664 2.2771 2.2771 2.6840 2.6840 4.9988 4.9988 5.7856 5.7856 5.8274 5.8274 6.0270 6.0270 6.1047 6.1047 6.1444 6.1444 6.3381 6.3381 6.8332 6.8332 6.8448 6.8448 7.7006 7.7006 10.0346 10.0346 k = 0.1961 0.1961 0.1961 ( 5569 PWs) bands (ev): -17.2615 -17.2615 -17.0577 -17.0577 -17.0575 -17.0575 -15.1475 -15.1475 -15.1472 -15.1472 -15.1442 -15.1442 -6.7155 -6.7155 -6.7067 -6.7067 -6.4909 -6.4909 -5.8404 -5.8404 -5.8238 -5.8238 -3.7322 -3.7322 -3.7040 -3.7040 -3.6773 -3.6773 -2.6539 -2.6539 -2.6461 -2.6461 -2.3342 -2.3342 -2.2165 -2.2165 -2.2044 -2.2044 -2.0297 -2.0297 -2.0208 -2.0208 -1.9176 -1.9176 -1.6341 -1.6341 -1.0236 -1.0236 -1.0007 -1.0007 -0.7813 -0.7813 -0.2012 -0.2012 -0.1996 -0.1996 1.1961 1.1961 2.0469 2.0469 2.0513 2.0513 2.0519 2.0519 2.2558 2.2558 2.2660 2.2660 2.7425 2.7425 5.0514 5.0514 5.8081 5.8081 5.8476 5.8476 6.0370 6.0370 6.1129 6.1129 6.1499 6.1499 6.3772 6.3772 6.8574 6.8574 6.8702 6.8702 7.7385 7.7385 10.0183 10.0183 k = 0.2059 0.2059 0.2059 ( 5575 PWs) bands (ev): -17.2536 -17.2536 -17.0584 -17.0584 -17.0582 -17.0582 -15.1520 -15.1520 -15.1517 -15.1517 -15.1485 -15.1485 -6.6918 -6.6918 -6.6820 -6.6820 -6.4742 -6.4742 -5.8425 -5.8425 -5.8247 -5.8247 -3.7334 -3.7334 -3.7083 -3.7083 -3.6789 -3.6789 -2.6634 -2.6634 -2.6556 -2.6556 -2.3713 -2.3713 -2.2444 -2.2444 -2.2341 -2.2341 -2.0425 -2.0425 -2.0350 -2.0350 -1.9183 -1.9183 -1.6592 -1.6592 -0.9891 -0.9891 -0.9660 -0.9660 -0.7936 -0.7936 -0.1878 -0.1878 -0.1872 -0.1872 1.1245 1.1245 2.0404 2.0404 2.0529 2.0529 2.0543 2.0543 2.2447 2.2447 2.2544 2.2544 2.8029 2.8029 5.1056 5.1056 5.8305 5.8305 5.8679 5.8679 6.0484 6.0484 6.1214 6.1214 6.1559 6.1559 6.4146 6.4146 6.8818 6.8818 6.8960 6.8960 7.7772 7.7772 10.0013 10.0013 k = 0.2157 0.2157 0.2157 ( 5581 PWs) bands (ev): -17.2455 -17.2455 -17.0591 -17.0591 -17.0588 -17.0588 -15.1566 -15.1566 -15.1562 -15.1562 -15.1529 -15.1529 -6.6675 -6.6675 -6.6565 -6.6565 -6.4572 -6.4572 -5.8444 -5.8444 -5.8254 -5.8254 -3.7345 -3.7345 -3.7124 -3.7124 -3.6802 -3.6802 -2.6732 -2.6732 -2.6652 -2.6652 -2.4087 -2.4087 -2.2742 -2.2742 -2.2658 -2.2658 -2.0541 -2.0541 -2.0479 -2.0479 -1.9189 -1.9189 -1.6860 -1.6860 -0.9550 -0.9550 -0.9315 -0.9315 -0.8032 -0.8032 -0.1743 -0.1743 -0.1738 -0.1738 1.0521 1.0521 2.0327 2.0327 2.0550 2.0550 2.0570 2.0570 2.2332 2.2332 2.2423 2.2423 2.8648 2.8648 5.1608 5.1608 5.8529 5.8529 5.8882 5.8882 6.0617 6.0617 6.1304 6.1304 6.1624 6.1624 6.4499 6.4499 6.9065 6.9065 6.9220 6.9220 7.8167 7.8167 9.9835 9.9835 k = 0.2255 0.2255 0.2255 ( 5596 PWs) bands (ev): -17.2372 -17.2372 -17.0598 -17.0598 -17.0595 -17.0595 -15.1612 -15.1612 -15.1609 -15.1609 -15.1574 -15.1574 -6.6426 -6.6426 -6.6304 -6.6304 -6.4399 -6.4399 -5.8462 -5.8462 -5.8260 -5.8260 -3.7357 -3.7357 -3.7163 -3.7163 -3.6813 -3.6813 -2.6830 -2.6830 -2.6750 -2.6750 -2.4464 -2.4464 -2.3057 -2.3057 -2.2992 -2.2992 -2.0646 -2.0646 -2.0596 -2.0596 -1.9193 -1.9193 -1.7141 -1.7141 -0.9217 -0.9217 -0.8973 -0.8973 -0.8098 -0.8098 -0.1607 -0.1607 -0.1594 -0.1594 0.9791 0.9791 2.0241 2.0241 2.0574 2.0574 2.0599 2.0599 2.2212 2.2212 2.2297 2.2297 2.9279 2.9279 5.2165 5.2165 5.8750 5.8750 5.9085 5.9085 6.0771 6.0771 6.1401 6.1401 6.1691 6.1691 6.4826 6.4826 6.9314 6.9314 6.9482 6.9482 7.8570 7.8570 9.9652 9.9652 k = 0.2353 0.2353 0.2353 ( 5611 PWs) bands (ev): -17.2289 -17.2289 -17.0605 -17.0605 -17.0602 -17.0602 -15.1658 -15.1658 -15.1655 -15.1655 -15.1620 -15.1620 -6.6173 -6.6173 -6.6038 -6.6038 -6.4223 -6.4223 -5.8478 -5.8478 -5.8265 -5.8265 -3.7368 -3.7368 -3.7199 -3.7199 -3.6821 -3.6821 -2.6929 -2.6929 -2.6848 -2.6848 -2.4843 -2.4843 -2.3387 -2.3387 -2.3340 -2.3340 -2.0741 -2.0741 -2.0702 -2.0702 -1.9195 -1.9195 -1.7435 -1.7435 -0.8902 -0.8902 -0.8636 -0.8636 -0.8129 -0.8129 -0.1465 -0.1465 -0.1444 -0.1444 0.9059 0.9059 2.0147 2.0147 2.0599 2.0599 2.0630 2.0630 2.2088 2.2088 2.2168 2.2168 2.9919 2.9919 5.2720 5.2720 5.8969 5.8969 5.9287 5.9287 6.0947 6.0947 6.1506 6.1506 6.1762 6.1762 6.5126 6.5126 6.9564 6.9564 6.9745 6.9745 7.8979 7.8979 9.9463 9.9463 k = 0.2451 0.2451 0.2451 ( 5608 PWs) bands (ev): -17.2204 -17.2204 -17.0612 -17.0612 -17.0609 -17.0609 -15.1705 -15.1705 -15.1702 -15.1702 -15.1666 -15.1666 -6.5916 -6.5916 -6.5767 -6.5767 -6.4045 -6.4045 -5.8491 -5.8491 -5.8268 -5.8268 -3.7378 -3.7378 -3.7233 -3.7233 -3.6826 -3.6826 -2.7028 -2.7028 -2.6947 -2.6947 -2.5221 -2.5221 -2.3730 -2.3730 -2.3700 -2.3700 -2.0826 -2.0826 -2.0796 -2.0796 -1.9195 -1.9195 -1.7737 -1.7737 -0.8631 -0.8631 -0.8306 -0.8306 -0.8102 -0.8102 -0.1315 -0.1315 -0.1288 -0.1288 0.8328 0.8328 2.0047 2.0047 2.0626 2.0626 2.0661 2.0661 2.1962 2.1962 2.2037 2.2037 3.0568 3.0568 5.3267 5.3267 5.9186 5.9186 5.9488 5.9488 6.1140 6.1140 6.1624 6.1624 6.1834 6.1834 6.5397 6.5397 6.9815 6.9815 7.0010 7.0010 7.9394 7.9394 9.9268 9.9268 k = 0.2549 0.2549 0.2549 ( 5602 PWs) bands (ev): -17.2119 -17.2119 -17.0619 -17.0619 -17.0616 -17.0616 -15.1753 -15.1753 -15.1749 -15.1749 -15.1713 -15.1713 -6.5656 -6.5656 -6.5492 -6.5492 -6.3867 -6.3867 -5.8501 -5.8501 -5.8270 -5.8270 -3.7387 -3.7387 -3.7264 -3.7264 -3.6830 -3.6830 -2.7128 -2.7128 -2.7046 -2.7046 -2.5598 -2.5598 -2.4085 -2.4085 -2.4070 -2.4070 -2.0902 -2.0902 -2.0879 -2.0879 -1.9193 -1.9193 -1.8045 -1.8045 -0.8461 -0.8461 -0.7983 -0.7983 -0.7964 -0.7964 -0.1158 -0.1158 -0.1126 -0.1126 0.7599 0.7599 1.9942 1.9942 2.0651 2.0651 2.0690 2.0690 2.1835 2.1835 2.1906 2.1906 3.1223 3.1223 5.3801 5.3801 5.9399 5.9399 5.9687 5.9687 6.1342 6.1342 6.1766 6.1766 6.1906 6.1906 6.5641 6.5641 7.0067 7.0067 7.0274 7.0274 7.9814 7.9814 9.9069 9.9069 k = 0.2647 0.2647 0.2647 ( 5605 PWs) bands (ev): -17.2034 -17.2034 -17.0626 -17.0626 -17.0623 -17.0623 -15.1800 -15.1800 -15.1796 -15.1796 -15.1760 -15.1760 -6.5395 -6.5395 -6.5215 -6.5215 -6.3688 -6.3688 -5.8508 -5.8508 -5.8269 -5.8269 -3.7394 -3.7394 -3.7291 -3.7291 -3.6831 -3.6831 -2.7229 -2.7229 -2.7145 -2.7145 -2.5972 -2.5972 -2.4450 -2.4450 -2.4448 -2.4448 -2.0972 -2.0972 -2.0955 -2.0955 -1.9192 -1.9192 -1.8355 -1.8355 -0.8388 -0.8388 -0.7722 -0.7722 -0.7671 -0.7671 -0.0993 -0.0993 -0.0957 -0.0957 0.6876 0.6876 1.9832 1.9832 2.0670 2.0670 2.0712 2.0712 2.1713 2.1713 2.1778 2.1778 3.1883 3.1883 5.4313 5.4313 5.9609 5.9609 5.9884 5.9884 6.1529 6.1529 6.1955 6.1955 6.1978 6.1978 6.5858 6.5858 7.0319 7.0319 7.0537 7.0537 8.0237 8.0237 9.8866 9.8866 k = 0.2745 0.2745 0.2745 ( 5593 PWs) bands (ev): -17.1948 -17.1948 -17.0632 -17.0632 -17.0629 -17.0629 -15.1847 -15.1847 -15.1843 -15.1843 -15.1807 -15.1807 -6.5133 -6.5133 -6.4937 -6.4937 -6.3511 -6.3511 -5.8511 -5.8511 -5.8265 -5.8265 -3.7398 -3.7398 -3.7315 -3.7315 -3.6829 -3.6829 -2.7330 -2.7330 -2.7245 -2.7245 -2.6342 -2.6342 -2.4831 -2.4831 -2.4822 -2.4822 -2.1034 -2.1034 -2.1022 -2.1022 -1.9193 -1.9193 -1.8664 -1.8664 -0.8349 -0.8349 -0.7442 -0.7442 -0.7370 -0.7370 -0.0820 -0.0820 -0.0782 -0.0782 0.6161 0.6161 1.9719 1.9719 2.0679 2.0679 2.0722 2.0722 2.1602 2.1602 2.1660 2.1660 3.2545 3.2545 5.4800 5.4800 5.9815 5.9815 6.0079 6.0079 6.1682 6.1682 6.2049 6.2049 6.2207 6.2207 6.6052 6.6052 7.0572 7.0572 7.0799 7.0799 8.0663 8.0663 9.8660 9.8660 k = 0.2843 0.2843 0.2843 ( 5599 PWs) bands (ev): -17.1863 -17.1863 -17.0639 -17.0639 -17.0635 -17.0635 -15.1893 -15.1893 -15.1889 -15.1889 -15.1854 -15.1854 -6.4872 -6.4872 -6.4658 -6.4658 -6.3335 -6.3335 -5.8509 -5.8509 -5.8260 -5.8260 -3.7400 -3.7400 -3.7335 -3.7335 -3.6826 -3.6826 -2.7434 -2.7434 -2.7344 -2.7344 -2.6705 -2.6705 -2.5218 -2.5218 -2.5199 -2.5199 -2.1091 -2.1091 -2.1082 -2.1082 -1.9211 -1.9211 -1.8953 -1.8953 -0.8314 -0.8314 -0.7157 -0.7157 -0.7082 -0.7082 -0.0639 -0.0639 -0.0599 -0.0599 0.5455 0.5455 1.9604 1.9604 2.0667 2.0667 2.0709 2.0709 2.1511 2.1511 2.1561 2.1561 3.3209 3.3209 5.5256 5.5256 6.0018 6.0018 6.0271 6.0271 6.1804 6.1804 6.2117 6.2117 6.2512 6.2512 6.6229 6.6229 7.0823 7.0823 7.1059 7.1059 8.1088 8.1088 9.8450 9.8450 k = 0.2941 0.2941 0.2941 ( 5599 PWs) bands (ev): -17.1779 -17.1779 -17.0645 -17.0645 -17.0642 -17.0642 -15.1939 -15.1939 -15.1935 -15.1935 -15.1901 -15.1901 -6.4613 -6.4613 -6.4380 -6.4380 -6.3161 -6.3161 -5.8503 -5.8503 -5.8251 -5.8251 -3.7399 -3.7399 -3.7351 -3.7351 -3.6821 -3.6821 -2.7543 -2.7543 -2.7444 -2.7444 -2.7058 -2.7058 -2.5604 -2.5604 -2.5579 -2.5579 -2.1142 -2.1142 -2.1136 -2.1136 -1.9357 -1.9357 -1.9110 -1.9110 -0.8276 -0.8276 -0.6879 -0.6879 -0.6808 -0.6808 -0.0448 -0.0448 -0.0409 -0.0409 0.4761 0.4761 1.9487 1.9487 2.0626 2.0626 2.0662 2.0662 2.1453 2.1453 2.1491 2.1491 3.3873 3.3873 5.5679 5.5679 6.0216 6.0216 6.0460 6.0460 6.1907 6.1907 6.2183 6.2183 6.2850 6.2850 6.6400 6.6400 7.1073 7.1073 7.1316 7.1316 8.1512 8.1512 9.8240 9.8240 k = 0.3039 0.3039 0.3039 ( 5605 PWs) bands (ev): -17.1696 -17.1696 -17.0651 -17.0651 -17.0648 -17.0648 -15.1984 -15.1984 -15.1980 -15.1980 -15.1947 -15.1947 -6.4357 -6.4357 -6.4105 -6.4105 -6.2991 -6.2991 -5.8491 -5.8491 -5.8239 -5.8239 -3.7395 -3.7395 -3.7362 -3.7362 -3.6814 -3.6814 -2.7668 -2.7668 -2.7544 -2.7544 -2.7390 -2.7390 -2.5989 -2.5989 -2.5959 -2.5959 -2.1187 -2.1187 -2.1184 -2.1184 -1.9636 -1.9636 -1.9129 -1.9129 -0.8232 -0.8232 -0.6612 -0.6612 -0.6549 -0.6549 -0.0249 -0.0249 -0.0211 -0.0211 0.4080 0.4080 1.9369 1.9369 2.0547 2.0547 2.0576 2.0576 2.1432 2.1432 2.1457 2.1457 3.4535 3.4535 5.6067 5.6067 6.0409 6.0409 6.0646 6.0646 6.1998 6.1998 6.2245 6.2245 6.3198 6.3198 6.6576 6.6576 7.1320 7.1320 7.1569 7.1569 8.1932 8.1932 9.8027 9.8027 k = 0.3137 0.3137 0.3137 ( 5611 PWs) bands (ev): -17.1614 -17.1614 -17.0657 -17.0657 -17.0654 -17.0654 -15.2028 -15.2028 -15.2024 -15.2024 -15.1992 -15.1992 -6.4105 -6.4105 -6.3835 -6.3835 -6.2825 -6.2825 -5.8473 -5.8473 -5.8223 -5.8223 -3.7387 -3.7387 -3.7369 -3.7369 -3.6805 -3.6805 -2.7862 -2.7862 -2.7651 -2.7651 -2.7647 -2.7647 -2.6366 -2.6366 -2.6336 -2.6336 -2.1228 -2.1228 -2.1227 -2.1227 -1.9930 -1.9930 -1.9126 -1.9126 -0.8181 -0.8181 -0.6358 -0.6358 -0.6306 -0.6306 -0.0043 -0.0043 -0.0006 -0.0006 0.3415 0.3415 1.9252 1.9252 2.0433 2.0433 2.0454 2.0454 2.1444 2.1444 2.1457 2.1457 3.5195 3.5195 5.6420 5.6420 6.0597 6.0597 6.0827 6.0827 6.2079 6.2079 6.2304 6.2304 6.3531 6.3531 6.6779 6.6779 7.1566 7.1566 7.1818 7.1818 8.2346 8.2346 9.7815 9.7815 k = 0.3235 0.3235 0.3235 ( 5623 PWs) bands (ev): -17.1533 -17.1533 -17.0663 -17.0663 -17.0659 -17.0659 -15.2072 -15.2072 -15.2067 -15.2067 -15.2037 -15.2037 -6.3860 -6.3860 -6.3570 -6.3570 -6.2663 -6.2663 -5.8450 -5.8450 -5.8204 -5.8204 -3.7375 -3.7375 -3.7371 -3.7371 -3.6795 -3.6795 -2.8153 -2.8153 -2.7813 -2.7813 -2.7756 -2.7756 -2.6730 -2.6730 -2.6704 -2.6704 -2.1266 -2.1266 -2.1264 -2.1264 -2.0220 -2.0220 -1.9118 -1.9118 -0.8124 -0.8124 -0.6119 -0.6119 -0.6079 -0.6079 0.0172 0.0172 0.0205 0.0205 0.2766 0.2766 1.9135 1.9135 2.0291 2.0291 2.0308 2.0308 2.1481 2.1481 2.1484 2.1484 3.5849 3.5849 5.6740 5.6740 6.0780 6.0780 6.1004 6.1004 6.2152 6.2152 6.2357 6.2357 6.3821 6.3821 6.7028 6.7028 7.1807 7.1807 7.2061 7.2061 8.2751 8.2751 9.7602 9.7602 k = 0.3333 0.3333 0.3333 ( 5632 PWs) bands (ev): -17.1455 -17.1455 -17.0669 -17.0669 -17.0665 -17.0665 -15.2114 -15.2114 -15.2109 -15.2109 -15.2081 -15.2081 -6.3622 -6.3622 -6.3313 -6.3313 -6.2506 -6.2506 -5.8420 -5.8420 -5.8181 -5.8181 -3.7369 -3.7369 -3.7360 -3.7360 -3.6783 -3.6783 -2.8467 -2.8467 -2.7961 -2.7961 -2.7878 -2.7878 -2.7069 -2.7069 -2.7054 -2.7054 -2.1299 -2.1299 -2.1298 -2.1298 -2.0503 -2.0503 -1.9108 -1.9108 -0.8061 -0.8061 -0.5897 -0.5897 -0.5869 -0.5869 0.0393 0.0393 0.0422 0.0422 0.2137 0.2137 1.9020 1.9020 2.0130 2.0130 2.0144 2.0144 2.1530 2.1530 2.1533 2.1533 3.6497 3.6497 5.7029 5.7029 6.0957 6.0957 6.1176 6.1176 6.2218 6.2218 6.2407 6.2407 6.4045 6.4045 6.7345 6.7345 7.2044 7.2044 7.2298 7.2298 8.3146 8.3146 9.7391 9.7391 k = 0.3431 0.3431 0.3431 ( 5638 PWs) bands (ev): -17.1379 -17.1379 -17.0674 -17.0674 -17.0670 -17.0670 -15.2154 -15.2154 -15.2149 -15.2149 -15.2123 -15.2123 -6.3392 -6.3392 -6.3066 -6.3066 -6.2353 -6.2353 -5.8383 -5.8383 -5.8154 -5.8154 -3.7361 -3.7361 -3.7340 -3.7340 -3.6769 -3.6769 -2.8778 -2.8778 -2.8135 -2.8135 -2.8029 -2.8029 -2.7367 -2.7367 -2.7366 -2.7366 -2.1328 -2.1328 -2.1328 -2.1328 -2.0776 -2.0776 -1.9097 -1.9097 -0.7992 -0.7992 -0.5691 -0.5691 -0.5677 -0.5677 0.0620 0.0620 0.0642 0.0642 0.1529 0.1529 1.8907 1.8907 1.9957 1.9957 1.9970 1.9970 2.1587 2.1587 2.1595 2.1595 3.7135 3.7135 5.7290 5.7290 6.1127 6.1127 6.1343 6.1343 6.2277 6.2277 6.2452 6.2452 6.4189 6.4189 6.7738 6.7738 7.2275 7.2275 7.2527 7.2527 8.3529 8.3529 9.7182 9.7182 k = 0.3529 0.3529 0.3529 ( 5629 PWs) bands (ev): -17.1306 -17.1306 -17.0679 -17.0679 -17.0675 -17.0675 -15.2193 -15.2193 -15.2188 -15.2188 -15.2164 -15.2164 -6.3172 -6.3172 -6.2833 -6.2833 -6.2204 -6.2204 -5.8340 -5.8340 -5.8123 -5.8123 -3.7348 -3.7348 -3.7317 -3.7317 -3.6754 -3.6754 -2.9080 -2.9080 -2.8357 -2.8357 -2.8235 -2.8235 -2.7616 -2.7616 -2.7602 -2.7602 -2.1354 -2.1354 -2.1353 -2.1353 -2.1037 -2.1037 -1.9084 -1.9084 -0.7918 -0.7918 -0.5502 -0.5502 -0.5501 -0.5501 0.0821 0.0821 0.0851 0.0851 0.0987 0.0987 1.8797 1.8797 1.9777 1.9777 1.9789 1.9789 2.1652 2.1652 2.1662 2.1662 3.7763 3.7763 5.7525 5.7525 6.1289 6.1289 6.1504 6.1504 6.2329 6.2329 6.2492 6.2492 6.4251 6.4251 6.8203 6.8203 7.2501 7.2501 7.2748 7.2748 8.3896 8.3896 9.6976 9.6976 k = 0.3627 0.3627 0.3627 ( 5613 PWs) bands (ev): -17.1236 -17.1236 -17.0683 -17.0683 -17.0679 -17.0679 -15.2230 -15.2230 -15.2225 -15.2225 -15.2203 -15.2203 -6.2963 -6.2963 -6.2617 -6.2617 -6.2057 -6.2057 -5.8291 -5.8291 -5.8088 -5.8088 -3.7330 -3.7330 -3.7290 -3.7290 -3.6738 -3.6738 -2.9370 -2.9370 -2.8628 -2.8628 -2.8504 -2.8504 -2.7790 -2.7790 -2.7773 -2.7773 -2.1379 -2.1379 -2.1375 -2.1375 -2.1283 -2.1283 -1.9071 -1.9071 -0.7839 -0.7839 -0.5341 -0.5341 -0.5329 -0.5329 0.0357 0.0357 0.1084 0.1084 0.1113 0.1113 1.8691 1.8691 1.9592 1.9592 1.9606 1.9606 2.1723 2.1723 2.1734 2.1734 3.8377 3.8377 5.7737 5.7737 6.1444 6.1444 6.1657 6.1657 6.2375 6.2375 6.2527 6.2527 6.4244 6.4244 6.8725 6.8725 7.2718 7.2718 7.2961 7.2961 8.4247 8.4247 9.6774 9.6774 k = 0.3725 0.3725 0.3725 ( 5637 PWs) bands (ev): -17.1169 -17.1169 -17.0688 -17.0688 -17.0684 -17.0684 -15.2266 -15.2266 -15.2260 -15.2260 -15.2241 -15.2241 -6.2767 -6.2767 -6.2422 -6.2422 -6.1910 -6.1910 -5.8236 -5.8236 -5.8050 -5.8050 -3.7307 -3.7307 -3.7259 -3.7259 -3.6719 -3.6719 -2.9647 -2.9647 -2.8930 -2.8930 -2.8810 -2.8810 -2.7914 -2.7914 -2.7901 -2.7901 -2.1526 -2.1526 -2.1396 -2.1396 -2.1393 -2.1393 -1.9059 -1.9059 -0.7755 -0.7755 -0.5197 -0.5197 -0.5173 -0.5173 -0.0183 -0.0183 0.1316 0.1316 0.1338 0.1338 1.8589 1.8589 1.9406 1.9406 1.9421 1.9421 2.1795 2.1795 2.1807 2.1807 3.8975 3.8975 5.7929 5.7929 6.1589 6.1589 6.1804 6.1804 6.2415 6.2415 6.2558 6.2558 6.4181 6.4181 6.9284 6.9284 7.2927 7.2927 7.3163 7.3163 8.4578 8.4578 9.6576 9.6576 k = 0.3824 0.3824 0.3824 ( 5634 PWs) bands (ev): -17.1105 -17.1105 -17.0692 -17.0692 -17.0688 -17.0688 -15.2299 -15.2299 -15.2293 -15.2293 -15.2277 -15.2277 -6.2584 -6.2584 -6.2251 -6.2251 -6.1760 -6.1760 -5.8176 -5.8176 -5.8008 -5.8008 -3.7280 -3.7280 -3.7226 -3.7226 -3.6700 -3.6700 -2.9910 -2.9910 -2.9242 -2.9242 -2.9130 -2.9130 -2.8008 -2.8008 -2.8000 -2.8000 -2.1746 -2.1746 -2.1413 -2.1413 -2.1412 -2.1412 -1.9047 -1.9047 -0.7666 -0.7666 -0.5067 -0.5067 -0.5032 -0.5032 -0.0702 -0.0702 0.1546 0.1546 0.1563 0.1563 1.8492 1.8492 1.9222 1.9222 1.9238 1.9238 2.1868 2.1868 2.1880 2.1880 3.9554 3.9554 5.8101 5.8101 6.1724 6.1724 6.1942 6.1942 6.2451 6.2451 6.2585 6.2585 6.4077 6.4077 6.9865 6.9865 7.3127 7.3127 7.3355 7.3355 8.4888 8.4888 9.6384 9.6384 k = 0.3922 0.3922 0.3922 ( 5628 PWs) bands (ev): -17.1046 -17.1046 -17.0696 -17.0696 -17.0691 -17.0691 -15.2330 -15.2330 -15.2324 -15.2324 -15.2310 -15.2310 -6.2415 -6.2415 -6.2106 -6.2106 -6.1609 -6.1609 -5.8112 -5.8112 -5.7963 -5.7963 -3.7249 -3.7249 -3.7190 -3.7190 -3.6678 -3.6678 -3.0158 -3.0158 -2.9552 -2.9552 -2.9447 -2.9447 -2.8086 -2.8086 -2.8081 -2.8081 -2.1953 -2.1953 -2.1428 -2.1428 -2.1427 -2.1427 -1.9034 -1.9034 -0.7573 -0.7573 -0.4952 -0.4952 -0.4906 -0.4906 -0.1195 -0.1195 0.1772 0.1772 0.1785 0.1785 1.8401 1.8401 1.9041 1.9041 1.9058 1.9058 2.1940 2.1940 2.1951 2.1951 4.0110 4.0110 5.8257 5.8257 6.1848 6.1848 6.2070 6.2070 6.2484 6.2484 6.2609 6.2609 6.3942 6.3942 7.0452 7.0452 7.3315 7.3315 7.3534 7.3534 8.5175 8.5175 9.6199 9.6199 k = 0.4020 0.4020 0.4020 ( 5625 PWs) bands (ev): -17.0991 -17.0991 -17.0699 -17.0699 -17.0695 -17.0695 -15.2359 -15.2359 -15.2353 -15.2353 -15.2341 -15.2341 -6.2261 -6.2261 -6.1986 -6.1986 -6.1457 -6.1457 -5.8045 -5.8045 -5.7917 -5.7917 -3.7213 -3.7213 -3.7152 -3.7152 -3.6655 -3.6655 -3.0389 -3.0389 -2.9853 -2.9853 -2.9755 -2.9755 -2.8154 -2.8154 -2.8151 -2.8151 -2.2144 -2.2144 -2.1441 -2.1441 -2.1440 -2.1440 -1.9022 -1.9022 -0.7475 -0.7475 -0.4850 -0.4850 -0.4795 -0.4795 -0.1661 -0.1661 0.1990 0.1990 0.2000 0.2000 1.8315 1.8315 1.8866 1.8866 1.8884 1.8884 2.2011 2.2011 2.2020 2.2020 4.0639 4.0639 5.8396 5.8396 6.1958 6.1958 6.2189 6.2189 6.2514 6.2514 6.2630 6.2630 6.3787 6.3787 7.1033 7.1033 7.3492 7.3492 7.3701 7.3701 8.5439 8.5439 9.6022 9.6022 k = 0.4118 0.4118 0.4118 ( 5616 PWs) bands (ev): -17.0940 -17.0940 -17.0702 -17.0702 -17.0698 -17.0698 -15.2386 -15.2386 -15.2380 -15.2380 -15.2370 -15.2370 -6.2122 -6.2122 -6.1886 -6.1886 -6.1310 -6.1310 -5.7978 -5.7978 -5.7869 -5.7869 -3.7175 -3.7175 -3.7114 -3.7114 -3.6631 -3.6631 -3.0603 -3.0603 -3.0138 -3.0138 -3.0048 -3.0048 -2.8213 -2.8213 -2.8211 -2.8211 -2.2318 -2.2318 -2.1452 -2.1452 -2.1451 -2.1451 -1.9010 -1.9010 -0.7373 -0.7373 -0.4761 -0.4761 -0.4697 -0.4697 -0.2100 -0.2100 0.2198 0.2198 0.2206 0.2206 1.8237 1.8237 1.8698 1.8698 1.8718 1.8718 2.2078 2.2078 2.2086 2.2086 4.1138 4.1138 5.8520 5.8520 6.2052 6.2052 6.2297 6.2297 6.2543 6.2543 6.2649 6.2649 6.3621 6.3621 7.1597 7.1597 7.3655 7.3655 7.3855 7.3855 8.5676 8.5676 9.5855 9.5855 k = 0.4216 0.4216 0.4216 ( 5616 PWs) bands (ev): -17.0894 -17.0894 -17.0705 -17.0705 -17.0701 -17.0701 -15.2410 -15.2410 -15.2403 -15.2403 -15.2396 -15.2396 -6.1998 -6.1998 -6.1804 -6.1804 -6.1171 -6.1171 -5.7910 -5.7910 -5.7821 -5.7821 -3.7135 -3.7135 -3.7077 -3.7077 -3.6605 -3.6605 -3.0800 -3.0800 -3.0405 -3.0405 -3.0323 -3.0323 -2.8265 -2.8265 -2.8264 -2.8264 -2.2476 -2.2476 -2.1461 -2.1461 -2.1461 -2.1461 -1.9000 -1.9000 -0.7267 -0.7267 -0.4683 -0.4683 -0.4611 -0.4611 -0.2510 -0.2510 0.2393 0.2393 0.2399 0.2399 1.8165 1.8165 1.8541 1.8541 1.8562 1.8562 2.2140 2.2140 2.2148 2.2148 4.1603 4.1603 5.8630 5.8630 6.2130 6.2130 6.2392 6.2392 6.2573 6.2573 6.2668 6.2668 6.3452 6.3452 7.2133 7.2133 7.3805 7.3805 7.3995 7.3995 8.5888 8.5888 9.5700 9.5700 k = 0.4314 0.4314 0.4314 ( 5607 PWs) bands (ev): -17.0852 -17.0852 -17.0708 -17.0708 -17.0703 -17.0703 -15.2432 -15.2432 -15.2425 -15.2425 -15.2419 -15.2419 -6.1890 -6.1890 -6.1737 -6.1737 -6.1043 -6.1043 -5.7845 -5.7845 -5.7775 -5.7775 -3.7093 -3.7093 -3.7041 -3.7041 -3.6578 -3.6578 -3.0977 -3.0977 -3.0649 -3.0649 -3.0576 -3.0576 -2.8309 -2.8309 -2.8309 -2.8309 -2.2617 -2.2617 -2.1469 -2.1469 -2.1468 -2.1468 -1.8990 -1.8990 -0.7158 -0.7158 -0.4617 -0.4617 -0.4538 -0.4538 -0.2889 -0.2889 0.2573 0.2573 0.2577 0.2577 1.8100 1.8100 1.8396 1.8396 1.8418 1.8418 2.2198 2.2198 2.2204 2.2204 4.2028 4.2028 5.8726 5.8726 6.2189 6.2189 6.2471 6.2471 6.2604 6.2604 6.2690 6.2690 6.3288 6.3288 7.2633 7.2633 7.3941 7.3941 7.4120 7.4120 8.6073 8.6073 9.5557 9.5557 k = 0.4412 0.4412 0.4412 ( 5619 PWs) bands (ev): -17.0816 -17.0816 -17.0710 -17.0710 -17.0705 -17.0705 -15.2451 -15.2451 -15.2443 -15.2443 -15.2439 -15.2439 -6.1797 -6.1797 -6.1682 -6.1682 -6.0929 -6.0929 -5.7784 -5.7784 -5.7731 -5.7731 -3.7053 -3.7053 -3.7008 -3.7008 -3.6550 -3.6550 -3.1135 -3.1135 -3.0867 -3.0867 -3.0804 -3.0804 -2.8349 -2.8349 -2.8349 -2.8349 -2.2739 -2.2739 -2.1476 -2.1476 -2.1475 -2.1475 -1.8982 -1.8982 -0.7048 -0.7048 -0.4560 -0.4560 -0.4477 -0.4477 -0.3234 -0.3234 0.2735 0.2735 0.2738 0.2738 1.8044 1.8044 1.8265 1.8265 1.8288 1.8288 2.2250 2.2250 2.2254 2.2254 4.2410 4.2410 5.8809 5.8809 6.2227 6.2227 6.2532 6.2532 6.2634 6.2634 6.2716 6.2716 6.3139 6.3139 7.3086 7.3086 7.4061 7.4061 7.4229 7.4229 8.6231 8.6231 9.5428 9.5428 k = 0.4510 0.4510 0.4510 ( 5610 PWs) bands (ev): -17.0785 -17.0785 -17.0712 -17.0712 -17.0707 -17.0707 -15.2467 -15.2467 -15.2459 -15.2459 -15.2456 -15.2456 -6.1719 -6.1719 -6.1638 -6.1638 -6.0831 -6.0831 -5.7729 -5.7729 -5.7692 -5.7692 -3.7014 -3.7014 -3.6978 -3.6978 -3.6523 -3.6523 -3.1273 -3.1273 -3.1056 -3.1056 -3.1004 -3.1004 -2.8381 -2.8381 -2.8381 -2.8381 -2.2844 -2.2844 -2.1481 -2.1481 -2.1480 -2.1480 -1.8974 -1.8974 -0.6938 -0.6938 -0.4514 -0.4514 -0.4427 -0.4427 -0.3544 -0.3544 0.2877 0.2877 0.2879 0.2879 1.7995 1.7995 1.8151 1.8151 1.8174 1.8174 2.2295 2.2295 2.2298 2.2298 4.2743 4.2743 5.8878 5.8878 6.2247 6.2247 6.2574 6.2574 6.2659 6.2659 6.2748 6.2748 6.3015 6.3015 7.3484 7.3484 7.4167 7.4167 7.4323 7.4323 8.6362 8.6362 9.5315 9.5315 k = 0.4608 0.4608 0.4608 ( 5592 PWs) bands (ev): -17.0760 -17.0760 -17.0713 -17.0713 -17.0708 -17.0708 -15.2481 -15.2481 -15.2472 -15.2472 -15.2471 -15.2471 -6.1656 -6.1656 -6.1604 -6.1604 -6.0749 -6.0749 -5.7681 -5.7681 -5.7657 -5.7657 -3.6979 -3.6979 -3.6953 -3.6953 -3.6498 -3.6498 -3.1390 -3.1390 -3.1213 -3.1213 -3.1172 -3.1172 -2.8408 -2.8408 -2.8407 -2.8407 -2.2929 -2.2929 -2.1484 -2.1484 -2.1484 -2.1484 -1.8967 -1.8967 -0.6832 -0.6832 -0.4476 -0.4476 -0.4388 -0.4388 -0.3812 -0.3812 0.2997 0.2997 0.2998 0.2998 1.7953 1.7953 1.8056 1.8056 1.8078 1.8078 2.2332 2.2332 2.2335 2.2335 4.3024 4.3024 5.8934 5.8934 6.2250 6.2250 6.2599 6.2599 6.2672 6.2672 6.2784 6.2784 6.2925 6.2925 7.3817 7.3817 7.4259 7.4259 7.4400 7.4400 8.6468 8.6468 9.5221 9.5221 k = 0.4706 0.4706 0.4706 ( 5592 PWs) bands (ev): -17.0740 -17.0740 -17.0714 -17.0714 -17.0710 -17.0710 -15.2491 -15.2491 -15.2483 -15.2483 -15.2482 -15.2482 -6.1607 -6.1607 -6.1578 -6.1578 -6.0684 -6.0684 -5.7643 -5.7643 -5.7629 -5.7629 -3.6949 -3.6949 -3.6934 -3.6934 -3.6476 -3.6476 -3.1486 -3.1486 -3.1333 -3.1333 -3.1307 -3.1307 -2.8428 -2.8428 -2.8428 -2.8428 -2.2996 -2.2996 -2.1488 -2.1488 -2.1487 -2.1487 -1.8962 -1.8962 -0.6736 -0.6736 -0.4447 -0.4447 -0.4363 -0.4363 -0.4031 -0.4031 0.3091 0.3091 0.3092 0.3092 1.7919 1.7919 1.7982 1.7982 1.8002 1.8002 2.2362 2.2362 2.2364 2.2364 4.3247 4.3247 5.8977 5.8977 6.2240 6.2240 6.2614 6.2614 6.2665 6.2665 6.2816 6.2816 6.2878 6.2878 7.4071 7.4071 7.4344 7.4344 7.4460 7.4460 8.6549 8.6549 9.5145 9.5145 k = 0.4804 0.4804 0.4804 ( 5592 PWs) bands (ev): -17.0726 -17.0726 -17.0714 -17.0714 -17.0710 -17.0710 -15.2499 -15.2499 -15.2490 -15.2490 -15.2490 -15.2490 -6.1573 -6.1573 -6.1559 -6.1559 -6.0638 -6.0638 -5.7614 -5.7614 -5.7608 -5.7608 -3.6927 -3.6927 -3.6919 -3.6919 -3.6459 -3.6459 -3.1559 -3.1559 -3.1418 -3.1418 -3.1405 -3.1405 -2.8443 -2.8443 -2.8443 -2.8443 -2.3045 -2.3045 -2.1490 -2.1490 -2.1489 -2.1489 -1.8958 -1.8958 -0.6656 -0.6656 -0.4427 -0.4427 -0.4359 -0.4359 -0.4184 -0.4184 0.3161 0.3161 0.3161 0.3161 1.7889 1.7889 1.7933 1.7933 1.7946 1.7946 2.2384 2.2384 2.2384 2.2384 4.3409 4.3409 5.9008 5.9008 6.2223 6.2223 6.2622 6.2622 6.2648 6.2648 6.2841 6.2841 6.2863 6.2863 7.4231 7.4231 7.4431 7.4431 7.4504 7.4504 8.6606 8.6606 9.5091 9.5091 k = 0.4902 0.4902 0.4902 ( 5616 PWs) bands (ev): -17.0720 -17.0720 -17.0713 -17.0713 -17.0711 -17.0711 -15.2504 -15.2504 -15.2494 -15.2494 -15.2494 -15.2494 -6.1552 -6.1552 -6.1549 -6.1549 -6.0610 -6.0610 -5.7597 -5.7597 -5.7595 -5.7595 -3.6912 -3.6912 -3.6911 -3.6911 -3.6448 -3.6448 -3.1605 -3.1605 -3.1468 -3.1468 -3.1464 -3.1464 -2.8453 -2.8453 -2.8453 -2.8453 -2.3073 -2.3073 -2.1492 -2.1492 -2.1492 -2.1492 -1.8957 -1.8957 -0.6603 -0.6603 -0.4415 -0.4415 -0.4389 -0.4389 -0.4249 -0.4249 0.3202 0.3202 0.3202 0.3202 1.7866 1.7866 1.7908 1.7908 1.7912 1.7912 2.2397 2.2397 2.2397 2.2397 4.3507 4.3507 5.9026 5.9026 6.2209 6.2209 6.2627 6.2627 6.2633 6.2633 6.2857 6.2857 6.2862 6.2862 7.4304 7.4304 7.4508 7.4508 7.4530 7.4530 8.6639 8.6639 9.5057 9.5057 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -17.0718 -17.0718 -17.0711 -17.0711 -17.0711 -17.0711 -15.2505 -15.2505 -15.2496 -15.2496 -15.2496 -15.2496 -6.1545 -6.1545 -6.1545 -6.1545 -6.0601 -6.0601 -5.7591 -5.7591 -5.7591 -5.7591 -3.6908 -3.6908 -3.6908 -3.6908 -3.6444 -3.6444 -3.1620 -3.1620 -3.1484 -3.1484 -3.1484 -3.1484 -2.8456 -2.8456 -2.8456 -2.8456 -2.3083 -2.3083 -2.1492 -2.1492 -2.1492 -2.1492 -1.8956 -1.8956 -0.6584 -0.6584 -0.4411 -0.4411 -0.4411 -0.4411 -0.4260 -0.4260 0.3216 0.3216 0.3216 0.3216 1.7858 1.7858 1.7901 1.7901 1.7901 1.7901 2.2401 2.2401 2.2401 2.2401 4.3540 4.3540 5.9033 5.9033 6.2203 6.2203 6.2628 6.2628 6.2628 6.2628 6.2862 6.2862 6.2862 6.2862 7.4324 7.4324 7.4538 7.4538 7.4538 7.4538 8.6650 8.6650 9.5046 9.5046 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -17.0718 -17.0718 -17.0711 -17.0711 -17.0711 -17.0711 -15.2505 -15.2505 -15.2496 -15.2496 -15.2496 -15.2496 -6.1545 -6.1545 -6.1545 -6.1545 -6.0601 -6.0601 -5.7591 -5.7591 -5.7591 -5.7591 -3.6908 -3.6908 -3.6908 -3.6908 -3.6444 -3.6444 -3.1620 -3.1620 -3.1484 -3.1484 -3.1484 -3.1484 -2.8456 -2.8456 -2.8456 -2.8456 -2.3083 -2.3083 -2.1492 -2.1492 -2.1492 -2.1492 -1.8956 -1.8956 -0.6584 -0.6584 -0.4411 -0.4411 -0.4411 -0.4411 -0.4260 -0.4260 0.3216 0.3216 0.3216 0.3216 1.7858 1.7858 1.7901 1.7901 1.7901 1.7901 2.2401 2.2401 2.2401 2.2401 4.3540 4.3540 5.9033 5.9033 6.2203 6.2203 6.2628 6.2628 6.2628 6.2628 6.2862 6.2862 6.2862 6.2862 7.4324 7.4324 7.4538 7.4538 7.4538 7.4538 8.6650 8.6650 9.5046 9.5046 k = 0.4881 0.5000 0.4881 ( 5616 PWs) bands (ev): -17.0719 -17.0719 -17.0713 -17.0713 -17.0711 -17.0711 -15.2504 -15.2504 -15.2495 -15.2495 -15.2494 -15.2494 -6.1554 -6.1554 -6.1547 -6.1547 -6.0610 -6.0610 -5.7598 -5.7598 -5.7594 -5.7594 -3.6913 -3.6913 -3.6910 -3.6910 -3.6448 -3.6448 -3.1606 -3.1606 -3.1473 -3.1473 -3.1459 -3.1459 -2.8454 -2.8454 -2.8451 -2.8451 -2.3074 -2.3074 -2.1492 -2.1492 -2.1491 -2.1491 -1.8957 -1.8957 -0.6603 -0.6603 -0.4415 -0.4415 -0.4389 -0.4389 -0.4249 -0.4249 0.3196 0.3196 0.3209 0.3209 1.7866 1.7866 1.7907 1.7907 1.7913 1.7913 2.2394 2.2394 2.2400 2.2400 4.3508 4.3508 5.9027 5.9027 6.2209 6.2209 6.2627 6.2627 6.2633 6.2633 6.2857 6.2857 6.2861 6.2861 7.4304 7.4304 7.4507 7.4507 7.4531 7.4531 8.6639 8.6639 9.5057 9.5057 k = 0.4762 0.5000 0.4762 ( 5604 PWs) bands (ev): -17.0724 -17.0724 -17.0717 -17.0717 -17.0709 -17.0709 -15.2501 -15.2501 -15.2491 -15.2491 -15.2487 -15.2487 -6.1579 -6.1579 -6.1553 -6.1553 -6.0637 -6.0637 -5.7618 -5.7618 -5.7603 -5.7603 -3.6929 -3.6929 -3.6916 -3.6916 -3.6458 -3.6458 -3.1571 -3.1571 -3.1430 -3.1430 -3.1384 -3.1384 -2.8449 -2.8449 -2.8438 -2.8438 -2.3045 -2.3045 -2.1493 -2.1493 -2.1487 -2.1487 -1.8959 -1.8959 -0.6655 -0.6655 -0.4428 -0.4428 -0.4359 -0.4359 -0.4185 -0.4185 0.3136 0.3136 0.3186 0.3186 1.7888 1.7888 1.7925 1.7925 1.7953 1.7953 2.2372 2.2372 2.2397 2.2397 4.3411 4.3411 5.9009 5.9009 6.2224 6.2224 6.2624 6.2624 6.2646 6.2646 6.2843 6.2843 6.2861 6.2861 7.4236 7.4236 7.4417 7.4417 7.4516 7.4516 8.6606 8.6606 9.5090 9.5090 k = 0.4643 0.5000 0.4643 ( 5592 PWs) bands (ev): -17.0735 -17.0735 -17.0723 -17.0723 -17.0705 -17.0705 -15.2499 -15.2499 -15.2481 -15.2481 -15.2476 -15.2476 -6.1621 -6.1621 -6.1564 -6.1564 -6.0681 -6.0681 -5.7651 -5.7651 -5.7618 -5.7618 -3.6955 -3.6955 -3.6926 -3.6926 -3.6475 -3.6475 -3.1538 -3.1538 -3.1336 -3.1336 -3.1261 -3.1261 -2.8441 -2.8441 -2.8416 -2.8416 -2.2998 -2.2998 -2.1493 -2.1493 -2.1482 -2.1482 -1.8962 -1.8962 -0.6733 -0.6733 -0.4449 -0.4449 -0.4362 -0.4362 -0.4034 -0.4034 0.3039 0.3039 0.3149 0.3149 1.7920 1.7920 1.7954 1.7954 1.8024 1.8024 2.2335 2.2335 2.2392 2.2392 4.3252 4.3252 5.8979 5.8979 6.2242 6.2242 6.2620 6.2620 6.2659 6.2659 6.2821 6.2821 6.2871 6.2871 7.4100 7.4100 7.4278 7.4278 7.4506 7.4506 8.6552 8.6552 9.5143 9.5143 k = 0.4524 0.5000 0.4524 ( 5584 PWs) bands (ev): -17.0750 -17.0750 -17.0732 -17.0732 -17.0699 -17.0699 -15.2498 -15.2498 -15.2467 -15.2467 -15.2460 -15.2460 -6.1681 -6.1681 -6.1583 -6.1583 -6.0739 -6.0739 -5.7695 -5.7695 -5.7639 -5.7639 -3.6990 -3.6990 -3.6941 -3.6941 -3.6497 -3.6497 -3.1510 -3.1510 -3.1188 -3.1188 -3.1092 -3.1092 -2.8431 -2.8431 -2.8385 -2.8385 -2.2932 -2.2932 -2.1493 -2.1493 -2.1474 -2.1474 -1.8966 -1.8966 -0.6827 -0.6827 -0.4478 -0.4478 -0.4386 -0.4386 -0.3818 -0.3818 0.2904 0.2904 0.3097 0.3097 1.7962 1.7962 1.7995 1.7995 1.8123 1.8123 2.2284 2.2284 2.2384 2.2384 4.3033 4.3033 5.8936 5.8936 6.2256 6.2256 6.2612 6.2612 6.2658 6.2658 6.2796 6.2796 6.2908 6.2908 7.3887 7.3887 7.4101 7.4101 7.4504 7.4504 8.6475 8.6475 9.5216 9.5216 k = 0.4405 0.5000 0.4405 ( 5600 PWs) bands (ev): -17.0769 -17.0769 -17.0742 -17.0742 -17.0691 -17.0691 -15.2497 -15.2497 -15.2448 -15.2448 -15.2440 -15.2440 -6.1759 -6.1759 -6.1612 -6.1612 -6.0807 -6.0807 -5.7748 -5.7748 -5.7664 -5.7664 -3.7031 -3.7031 -3.6958 -3.6958 -3.6522 -3.6522 -3.1483 -3.1483 -3.0994 -3.0994 -3.0882 -3.0882 -2.8418 -2.8418 -2.8348 -2.8348 -2.2848 -2.2848 -2.1494 -2.1494 -2.1465 -2.1465 -1.8973 -1.8973 -0.6931 -0.6931 -0.4517 -0.4517 -0.4423 -0.4423 -0.3553 -0.3553 0.2734 0.2734 0.3030 0.3030 1.8014 1.8014 1.8048 1.8048 1.8247 1.8247 2.2219 2.2219 2.2375 2.2375 4.2758 4.2758 5.8881 5.8881 6.2260 6.2260 6.2595 6.2595 6.2637 6.2637 6.2775 6.2775 6.2981 6.2981 7.3600 7.3600 7.3890 7.3890 7.4507 7.4507 8.6375 8.6375 9.5306 9.5306 k = 0.4286 0.5000 0.4286 ( 5608 PWs) bands (ev): -17.0793 -17.0793 -17.0754 -17.0754 -17.0682 -17.0682 -15.2495 -15.2495 -15.2426 -15.2426 -15.2416 -15.2416 -6.1856 -6.1856 -6.1656 -6.1656 -6.0881 -6.0881 -5.7808 -5.7808 -5.7693 -5.7693 -3.7079 -3.7079 -3.6978 -3.6978 -3.6549 -3.6549 -3.1454 -3.1454 -3.0760 -3.0760 -3.0633 -3.0633 -2.8403 -2.8403 -2.8301 -2.8301 -2.2746 -2.2746 -2.1494 -2.1494 -2.1453 -2.1453 -1.8980 -1.8980 -0.7037 -0.7037 -0.4566 -0.4566 -0.4469 -0.4469 -0.3248 -0.3248 0.2534 0.2534 0.2950 0.2950 1.8077 1.8077 1.8111 1.8111 1.8394 1.8394 2.2141 2.2141 2.2363 2.2363 4.2432 4.2432 5.8814 5.8814 6.2248 6.2248 6.2553 6.2553 6.2608 6.2608 6.2764 6.2764 6.3084 6.3084 7.3250 7.3250 7.3647 7.3647 7.4513 7.4513 8.6254 8.6254 9.5411 9.5411 k = 0.4167 0.5000 0.4167 ( 5614 PWs) bands (ev): -17.0821 -17.0821 -17.0768 -17.0768 -17.0670 -17.0670 -15.2494 -15.2494 -15.2399 -15.2399 -15.2388 -15.2388 -6.1973 -6.1973 -6.1722 -6.1722 -6.0952 -6.0952 -5.7872 -5.7872 -5.7726 -5.7726 -3.7130 -3.7130 -3.7000 -3.7000 -3.6578 -3.6578 -3.1422 -3.1422 -3.0490 -3.0490 -3.0349 -3.0349 -2.8386 -2.8386 -2.8245 -2.8245 -2.2627 -2.2627 -2.1492 -2.1492 -2.1439 -2.1439 -1.8989 -1.8989 -0.7144 -0.7144 -0.4625 -0.4625 -0.4524 -0.4524 -0.2908 -0.2908 0.2307 0.2307 0.2856 0.2856 1.8149 1.8149 1.8185 1.8185 1.8560 1.8560 2.2049 2.2049 2.2349 2.2349 4.2060 4.2060 5.8735 5.8735 6.2219 6.2219 6.2488 6.2488 6.2573 6.2573 6.2771 6.2771 6.3207 6.3207 7.2845 7.2845 7.3374 7.3374 7.4520 7.4520 8.6111 8.6111 9.5530 9.5530 k = 0.4048 0.5000 0.4048 ( 5606 PWs) bands (ev): -17.0853 -17.0853 -17.0785 -17.0785 -17.0658 -17.0658 -15.2492 -15.2492 -15.2370 -15.2370 -15.2355 -15.2355 -6.2108 -6.2108 -6.1817 -6.1817 -6.1014 -6.1014 -5.7938 -5.7938 -5.7761 -5.7761 -3.7183 -3.7183 -3.7024 -3.7024 -3.6607 -3.6607 -3.1386 -3.1386 -3.0188 -3.0188 -3.0034 -3.0034 -2.8366 -2.8366 -2.8179 -2.8179 -2.2493 -2.2493 -2.1487 -2.1487 -2.1420 -2.1420 -1.8997 -1.8997 -0.7249 -0.7249 -0.4695 -0.4695 -0.4586 -0.4586 -0.2536 -0.2536 0.2055 0.2055 0.2748 0.2748 1.8232 1.8232 1.8269 1.8269 1.8742 1.8742 2.1946 2.1946 2.2334 2.2334 4.1646 4.1646 5.8643 5.8643 6.2172 6.2172 6.2410 6.2410 6.2525 6.2525 6.2795 6.2795 6.3342 6.3342 7.2392 7.2392 7.3075 7.3075 7.4527 7.4527 8.5947 8.5947 9.5659 9.5659 k = 0.3929 0.5000 0.3929 ( 5610 PWs) bands (ev): -17.0888 -17.0888 -17.0803 -17.0803 -17.0643 -17.0643 -15.2490 -15.2490 -15.2336 -15.2336 -15.2319 -15.2319 -6.2263 -6.2263 -6.1944 -6.1944 -6.1062 -6.1062 -5.8004 -5.8004 -5.7798 -5.7798 -3.7238 -3.7238 -3.7049 -3.7049 -3.6637 -3.6637 -3.1347 -3.1347 -2.9858 -2.9858 -2.9693 -2.9693 -2.8345 -2.8345 -2.8104 -2.8104 -2.2346 -2.2346 -2.1476 -2.1476 -2.1400 -2.1400 -1.9007 -1.9007 -0.7351 -0.7351 -0.4777 -0.4777 -0.4656 -0.4656 -0.2135 -0.2135 0.1782 0.1782 0.2628 0.2628 1.8324 1.8324 1.8362 1.8362 1.8937 1.8937 2.1830 2.1830 2.2316 2.2316 4.1195 4.1195 5.8538 5.8538 6.2104 6.2104 6.2328 6.2328 6.2467 6.2467 6.2832 6.2832 6.3480 6.3480 7.1897 7.1897 7.2753 7.2753 7.4533 7.4533 8.5764 8.5764 9.5797 9.5797 k = 0.3810 0.5000 0.3810 ( 5612 PWs) bands (ev): -17.0926 -17.0926 -17.0823 -17.0823 -17.0628 -17.0628 -15.2488 -15.2488 -15.2300 -15.2300 -15.2280 -15.2280 -6.2437 -6.2437 -6.2103 -6.2103 -6.1094 -6.1094 -5.8067 -5.8067 -5.7837 -5.7837 -3.7293 -3.7293 -3.7074 -3.7074 -3.6666 -3.6666 -3.1304 -3.1304 -2.9504 -2.9504 -2.9330 -2.9330 -2.8322 -2.8322 -2.8018 -2.8018 -2.2193 -2.2193 -2.1454 -2.1454 -2.1375 -2.1375 -1.9017 -1.9017 -0.7448 -0.7448 -0.4872 -0.4872 -0.4733 -0.4733 -0.1706 -0.1706 0.1494 0.1494 0.2496 0.2496 1.8424 1.8424 1.8464 1.8464 1.9143 1.9143 2.1705 2.1705 2.2297 2.2297 4.0712 4.0712 5.8421 5.8421 6.2016 6.2016 6.2243 6.2243 6.2401 6.2401 6.2880 6.2880 6.3614 6.3614 7.1367 7.1367 7.2415 7.2415 7.4535 7.4535 8.5563 8.5563 9.5942 9.5942 k = 0.3690 0.5000 0.3690 ( 5616 PWs) bands (ev): -17.0968 -17.0968 -17.0844 -17.0844 -17.0611 -17.0611 -15.2486 -15.2486 -15.2260 -15.2260 -15.2237 -15.2237 -6.2629 -6.2629 -6.2291 -6.2291 -6.1114 -6.1114 -5.8127 -5.8127 -5.7877 -5.7877 -3.7348 -3.7348 -3.7098 -3.7098 -3.6694 -3.6694 -3.1258 -3.1258 -2.9132 -2.9132 -2.8951 -2.8951 -2.8295 -2.8295 -2.7917 -2.7917 -2.2044 -2.2044 -2.1412 -2.1412 -2.1343 -2.1343 -1.9028 -1.9028 -0.7542 -0.7542 -0.4982 -0.4982 -0.4817 -0.4817 -0.1251 -0.1251 0.1192 0.1192 0.2352 0.2352 1.8532 1.8532 1.8575 1.8575 1.9356 1.9356 2.1569 2.1569 2.2276 2.2276 4.0201 4.0201 5.8292 5.8292 6.1907 6.1907 6.2159 6.2159 6.2327 6.2327 6.2936 6.2936 6.3737 6.3737 7.0807 7.0807 7.2067 7.2067 7.4534 7.4534 8.5345 8.5345 9.6091 9.6091 k = 0.3571 0.5000 0.3571 ( 5612 PWs) bands (ev): -17.1012 -17.1012 -17.0867 -17.0867 -17.0592 -17.0592 -15.2484 -15.2484 -15.2217 -15.2217 -15.2192 -15.2192 -6.2837 -6.2837 -6.2503 -6.2503 -6.1122 -6.1122 -5.8181 -5.8181 -5.7918 -5.7918 -3.7402 -3.7402 -3.7121 -3.7121 -3.6721 -3.6721 -3.1209 -3.1209 -2.8751 -2.8751 -2.8571 -2.8571 -2.8256 -2.8256 -2.7790 -2.7790 -2.1917 -2.1917 -2.1348 -2.1348 -2.1290 -2.1290 -1.9038 -1.9038 -0.7631 -0.7631 -0.5106 -0.5106 -0.4907 -0.4907 -0.0771 -0.0771 0.0881 0.0881 0.2198 0.2198 1.8648 1.8648 1.8693 1.8693 1.9573 1.9573 2.1424 2.1424 2.2253 2.2253 3.9667 3.9667 5.8150 5.8150 6.1781 6.1781 6.2072 6.2072 6.2248 6.2248 6.2999 6.2999 6.3843 6.3843 7.0224 7.0224 7.1714 7.1714 7.4528 7.4528 8.5114 8.5114 9.6243 9.6243 k = 0.3452 0.5000 0.3452 ( 5608 PWs) bands (ev): -17.1059 -17.1059 -17.0892 -17.0892 -17.0573 -17.0573 -15.2481 -15.2481 -15.2172 -15.2172 -15.2144 -15.2144 -6.3059 -6.3059 -6.2734 -6.2734 -6.1123 -6.1123 -5.8229 -5.8229 -5.7959 -5.7959 -3.7456 -3.7456 -3.7141 -3.7141 -3.6748 -3.6748 -3.1156 -3.1156 -2.8403 -2.8403 -2.8273 -2.8273 -2.8110 -2.8110 -2.7617 -2.7617 -2.1831 -2.1831 -2.1297 -2.1297 -2.1163 -2.1163 -1.9049 -1.9049 -0.7717 -0.7717 -0.5245 -0.5245 -0.5004 -0.5004 -0.0268 -0.0268 0.0566 0.0566 0.2035 0.2035 1.8770 1.8770 1.8818 1.8818 1.9793 1.9793 2.1272 2.1272 2.2229 2.2229 3.9114 3.9114 5.7996 5.7996 6.1642 6.1642 6.1982 6.1982 6.2162 6.2162 6.3070 6.3070 6.3925 6.3925 6.9623 6.9623 7.1364 7.1364 7.4516 7.4516 8.4871 8.4871 9.6398 9.6398 k = 0.3333 0.5000 0.3333 ( 5614 PWs) bands (ev): -17.1108 -17.1108 -17.0917 -17.0917 -17.0552 -17.0552 -15.2479 -15.2479 -15.2124 -15.2124 -15.2093 -15.2093 -6.3295 -6.3295 -6.2982 -6.2982 -6.1118 -6.1118 -5.8272 -5.8272 -5.8001 -5.8001 -3.7509 -3.7509 -3.7160 -3.7160 -3.6772 -3.6772 -3.1101 -3.1101 -2.8277 -2.8277 -2.8016 -2.8016 -2.7759 -2.7759 -2.7351 -2.7351 -2.1782 -2.1782 -2.1254 -2.1254 -2.0968 -2.0968 -1.9059 -1.9059 -0.7800 -0.7800 -0.5401 -0.5401 -0.5108 -0.5108 0.0208 0.0208 0.0298 0.0298 0.1862 0.1862 1.8898 1.8898 1.8950 1.8950 2.0012 2.0012 2.1113 2.1113 2.2204 2.2204 3.8544 3.8544 5.7830 5.7830 6.1493 6.1493 6.1887 6.1887 6.2071 6.2071 6.3146 6.3146 6.3979 6.3979 6.9010 6.9010 7.1023 7.1023 7.4495 7.4495 8.4619 8.4619 9.6553 9.6553 k = 0.3214 0.5000 0.3214 ( 5606 PWs) bands (ev): -17.1159 -17.1159 -17.0944 -17.0944 -17.0531 -17.0531 -15.2476 -15.2476 -15.2074 -15.2074 -15.2041 -15.2041 -6.3542 -6.3542 -6.3243 -6.3243 -6.1109 -6.1109 -5.8308 -5.8308 -5.8042 -5.8042 -3.7561 -3.7561 -3.7175 -3.7175 -3.6796 -3.6796 -3.1044 -3.1044 -2.8241 -2.8241 -2.7797 -2.7797 -2.7356 -2.7356 -2.6981 -2.6981 -2.1759 -2.1759 -2.1208 -2.1208 -2.0729 -2.0729 -1.9068 -1.9068 -0.7879 -0.7879 -0.5573 -0.5573 -0.5218 -0.5218 -0.0075 -0.0075 0.0810 0.0810 0.1682 0.1682 1.9031 1.9031 1.9087 1.9087 2.0228 2.0228 2.0949 2.0949 2.2177 2.2177 3.7961 3.7961 5.7653 5.7653 6.1335 6.1335 6.1786 6.1786 6.1974 6.1974 6.3227 6.3227 6.3999 6.3999 6.8390 6.8390 7.0696 7.0696 7.4467 7.4467 8.4362 8.4362 9.6709 9.6709 k = 0.3095 0.5000 0.3095 ( 5610 PWs) bands (ev): -17.1211 -17.1211 -17.0972 -17.0972 -17.0509 -17.0509 -15.2473 -15.2473 -15.2023 -15.2023 -15.1988 -15.1988 -6.3799 -6.3799 -6.3513 -6.3513 -6.1096 -6.1096 -5.8339 -5.8339 -5.8083 -5.8083 -3.7613 -3.7613 -3.7188 -3.7188 -3.6818 -3.6818 -3.0984 -3.0984 -2.8215 -2.8215 -2.7635 -2.7635 -2.6925 -2.6925 -2.6551 -2.6551 -2.1750 -2.1750 -2.1158 -2.1158 -2.0459 -2.0459 -1.9077 -1.9077 -0.7955 -0.7955 -0.5763 -0.5763 -0.5335 -0.5335 -0.0388 -0.0388 0.1350 0.1350 0.1521 0.1521 1.9168 1.9168 1.9230 1.9230 2.0439 2.0439 2.0781 2.0781 2.2149 2.2149 3.7367 3.7367 5.7463 5.7463 6.1170 6.1170 6.1677 6.1677 6.1872 6.1872 6.3312 6.3312 6.3982 6.3982 6.7770 6.7770 7.0390 7.0390 7.4429 7.4429 8.4102 8.4102 9.6866 9.6866 k = 0.2976 0.5000 0.2976 ( 5624 PWs) bands (ev): -17.1265 -17.1265 -17.1000 -17.1000 -17.0486 -17.0486 -15.2471 -15.2471 -15.1969 -15.1969 -15.1933 -15.1933 -6.4063 -6.4063 -6.3791 -6.3791 -6.1080 -6.1080 -5.8365 -5.8365 -5.8124 -5.8124 -3.7664 -3.7664 -3.7197 -3.7197 -3.6838 -3.6838 -3.0921 -3.0921 -2.8193 -2.8193 -2.7497 -2.7497 -2.6479 -2.6479 -2.6094 -2.6094 -2.1750 -2.1750 -2.1103 -2.1103 -2.0167 -2.0167 -1.9085 -1.9085 -0.8030 -0.8030 -0.5971 -0.5971 -0.5459 -0.5459 -0.0695 -0.0695 0.1284 0.1284 0.1978 0.1978 1.9307 1.9307 1.9376 1.9376 2.0594 2.0594 2.0659 2.0659 2.2120 2.2120 3.6765 3.6765 5.7262 5.7262 6.1001 6.1001 6.1560 6.1560 6.1762 6.1762 6.3400 6.3400 6.3923 6.3923 6.7155 6.7155 7.0109 7.0109 7.4379 7.4379 8.3841 8.3841 9.7021 9.7021 k = 0.2857 0.5000 0.2857 ( 5618 PWs) bands (ev): -17.1319 -17.1319 -17.1029 -17.1029 -17.0462 -17.0462 -15.2468 -15.2468 -15.1915 -15.1915 -15.1877 -15.1877 -6.4332 -6.4332 -6.4071 -6.4071 -6.1062 -6.1062 -5.8387 -5.8387 -5.8163 -5.8163 -3.7715 -3.7715 -3.7204 -3.7204 -3.6855 -3.6855 -3.0856 -3.0856 -2.8172 -2.8172 -2.7367 -2.7367 -2.6025 -2.6025 -2.5623 -2.5623 -2.1754 -2.1754 -2.1041 -2.1041 -1.9856 -1.9856 -1.9089 -1.9089 -0.8102 -0.8102 -0.6196 -0.6196 -0.5589 -0.5589 -0.0993 -0.0993 0.1086 0.1086 0.2580 0.2580 1.9447 1.9447 1.9527 1.9527 2.0431 2.0431 2.0847 2.0847 2.2091 2.2091 3.6157 3.6157 5.7050 5.7050 6.0828 6.0828 6.1435 6.1435 6.1646 6.1646 6.3491 6.3491 6.3824 6.3824 6.6552 6.6552 6.9856 6.9856 7.4319 7.4319 8.3584 8.3584 9.7177 9.7177 k = 0.2738 0.5000 0.2738 ( 5612 PWs) bands (ev): -17.1374 -17.1374 -17.1059 -17.1059 -17.0438 -17.0438 -15.2465 -15.2465 -15.1859 -15.1859 -15.1820 -15.1820 -6.4607 -6.4607 -6.4353 -6.4353 -6.1041 -6.1041 -5.8406 -5.8406 -5.8201 -5.8201 -3.7765 -3.7765 -3.7209 -3.7209 -3.6871 -3.6871 -3.0790 -3.0790 -2.8152 -2.8152 -2.7240 -2.7240 -2.5566 -2.5566 -2.5146 -2.5146 -2.1762 -2.1762 -2.0972 -2.0972 -1.9535 -1.9535 -1.9087 -1.9087 -0.8172 -0.8172 -0.6439 -0.6439 -0.5724 -0.5724 -0.1281 -0.1281 0.0881 0.0881 0.3202 0.3202 1.9587 1.9587 1.9680 1.9680 2.0258 2.0258 2.1036 2.1036 2.2062 2.2062 3.5545 3.5545 5.6826 5.6826 6.0653 6.0653 6.1301 6.1301 6.1520 6.1520 6.3580 6.3580 6.3688 6.3688 6.5968 6.5968 6.9633 6.9633 7.4246 7.4246 8.3332 8.3332 9.7332 9.7332 k = 0.2619 0.5000 0.2619 ( 5612 PWs) bands (ev): -17.1430 -17.1430 -17.1088 -17.1088 -17.0414 -17.0414 -15.2462 -15.2462 -15.1803 -15.1803 -15.1763 -15.1763 -6.4884 -6.4884 -6.4633 -6.4633 -6.1019 -6.1019 -5.8423 -5.8423 -5.8236 -5.8236 -3.7815 -3.7815 -3.7212 -3.7212 -3.6883 -3.6883 -3.0721 -3.0721 -2.8133 -2.8133 -2.7116 -2.7116 -2.5106 -2.5106 -2.4668 -2.4668 -2.1771 -2.1771 -2.0896 -2.0896 -1.9242 -1.9242 -1.9040 -1.9040 -0.8242 -0.8242 -0.6698 -0.6698 -0.5865 -0.5865 -0.1559 -0.1559 0.0673 0.0673 0.3838 0.3838 1.9721 1.9721 1.9836 1.9836 2.0091 2.0091 2.1215 2.1215 2.2032 2.2032 3.4930 3.4930 5.6591 5.6591 6.0479 6.0479 6.1156 6.1156 6.1383 6.1383 6.3499 6.3499 6.3682 6.3682 6.5413 6.5413 6.9440 6.9440 7.4161 7.4161 8.3088 8.3088 9.7486 9.7486 k = 0.2500 0.5000 0.2500 ( 5610 PWs) bands (ev): -17.1485 -17.1485 -17.1118 -17.1118 -17.0389 -17.0389 -15.2459 -15.2459 -15.1746 -15.1746 -15.1707 -15.1707 -6.5164 -6.5164 -6.4910 -6.4910 -6.0996 -6.0996 -5.8440 -5.8440 -5.8267 -5.8267 -3.7863 -3.7863 -3.7213 -3.7213 -3.6892 -3.6892 -3.0651 -3.0651 -2.8116 -2.8116 -2.6992 -2.6992 -2.4646 -2.4646 -2.4194 -2.4194 -2.1782 -2.1782 -2.0811 -2.0811 -1.9149 -1.9149 -1.8782 -1.8782 -0.8312 -0.8312 -0.6972 -0.6972 -0.6011 -0.6011 -0.1826 -0.1826 0.0462 0.0462 0.4489 0.4489 1.9807 1.9807 1.9968 1.9968 1.9998 1.9998 2.1382 2.1382 2.2002 2.2002 3.4312 3.4312 5.6346 5.6346 6.0305 6.0305 6.1000 6.1000 6.1235 6.1235 6.3291 6.3291 6.3764 6.3764 6.4898 6.4898 6.9273 6.9273 7.4063 7.4063 8.2854 8.2854 9.7640 9.7640 k = 0.2381 0.5000 0.2381 ( 5614 PWs) bands (ev): -17.1540 -17.1540 -17.1148 -17.1148 -17.0365 -17.0365 -15.2456 -15.2456 -15.1689 -15.1689 -15.1650 -15.1650 -6.5443 -6.5443 -6.5180 -6.5180 -6.0971 -6.0971 -5.8461 -5.8461 -5.8292 -5.8292 -3.7910 -3.7910 -3.7215 -3.7215 -3.6898 -3.6898 -3.0579 -3.0579 -2.8100 -2.8100 -2.6869 -2.6869 -2.4188 -2.4188 -2.3728 -2.3728 -2.1793 -2.1793 -2.0718 -2.0718 -1.9139 -1.9139 -1.8429 -1.8429 -0.8381 -0.8381 -0.7257 -0.7257 -0.6162 -0.6162 -0.2082 -0.2082 0.0250 0.0250 0.5151 0.5151 1.9701 1.9701 2.0045 2.0045 2.0154 2.0154 2.1538 2.1538 2.1973 2.1973 3.3694 3.3694 5.6090 5.6090 6.0133 6.0133 6.0829 6.0829 6.1072 6.1072 6.3055 6.3055 6.3817 6.3817 6.4456 6.4456 6.9130 6.9130 7.3952 7.3952 8.2632 8.2632 9.7794 9.7794 k = 0.2262 0.5000 0.2262 ( 5594 PWs) bands (ev): -17.1595 -17.1595 -17.1177 -17.1177 -17.0341 -17.0341 -15.2453 -15.2453 -15.1633 -15.1633 -15.1595 -15.1595 -6.5721 -6.5721 -6.5443 -6.5443 -6.0945 -6.0945 -5.8485 -5.8485 -5.8309 -5.8309 -3.7956 -3.7956 -3.7216 -3.7216 -3.6901 -3.6901 -3.0506 -3.0506 -2.8085 -2.8085 -2.6747 -2.6747 -2.3734 -2.3734 -2.3272 -2.3272 -2.1803 -2.1803 -2.0613 -2.0613 -1.9136 -1.9136 -1.8057 -1.8057 -0.8453 -0.8453 -0.7550 -0.7550 -0.6317 -0.6317 -0.2330 -0.2330 0.0040 0.0040 0.5823 0.5823 1.9542 1.9542 2.0174 2.0174 2.0312 2.0312 2.1679 2.1679 2.1946 2.1946 3.3075 3.3075 5.5824 5.5824 5.9964 5.9964 6.0639 6.0639 6.0898 6.0898 6.2799 6.2799 6.3728 6.3728 6.4204 6.4204 6.9008 6.9008 7.3830 7.3830 8.2424 8.2424 9.7946 9.7946 k = 0.2143 0.5000 0.2143 ( 5612 PWs) bands (ev): -17.1648 -17.1648 -17.1206 -17.1206 -17.0316 -17.0316 -15.2450 -15.2450 -15.1577 -15.1577 -15.1540 -15.1540 -6.5996 -6.5996 -6.5698 -6.5698 -6.0919 -6.0919 -5.8514 -5.8514 -5.8320 -5.8320 -3.8001 -3.8001 -3.7218 -3.7218 -3.6899 -3.6899 -3.0432 -3.0432 -2.8072 -2.8072 -2.6628 -2.6628 -2.3286 -2.3286 -2.2833 -2.2833 -2.1811 -2.1811 -2.0499 -2.0499 -1.9137 -1.9137 -1.7678 -1.7678 -0.8531 -0.8531 -0.7843 -0.7843 -0.6475 -0.6475 -0.2569 -0.2569 -0.0168 -0.0168 0.6502 0.6502 1.9381 1.9381 2.0306 2.0306 2.0470 2.0470 2.1801 2.1801 2.1927 2.1927 3.2457 3.2457 5.5550 5.5550 5.9799 5.9799 6.0425 6.0425 6.0714 6.0714 6.2531 6.2531 6.3441 6.3441 6.4203 6.4203 6.8901 6.8901 7.3696 7.3696 8.2230 8.2230 9.8098 9.8098 k = 0.2024 0.5000 0.2024 ( 5612 PWs) bands (ev): -17.1700 -17.1700 -17.1235 -17.1235 -17.0293 -17.0293 -15.2447 -15.2447 -15.1522 -15.1522 -15.1487 -15.1487 -6.6265 -6.6265 -6.5943 -6.5943 -6.0892 -6.0892 -5.8547 -5.8547 -5.8324 -5.8324 -3.8044 -3.8044 -3.7221 -3.7221 -3.6894 -3.6894 -3.0357 -3.0357 -2.8059 -2.8059 -2.6511 -2.6511 -2.2847 -2.2847 -2.2422 -2.2422 -2.1806 -2.1806 -2.0372 -2.0372 -1.9137 -1.9137 -1.7295 -1.7295 -0.8624 -0.8624 -0.8125 -0.8125 -0.6636 -0.6636 -0.2804 -0.2804 -0.0371 -0.0371 0.7188 0.7188 1.9225 1.9225 2.0435 2.0435 2.0626 2.0626 2.1857 2.1857 2.1961 2.1961 3.1839 3.1839 5.5267 5.5267 5.9638 5.9638 6.0183 6.0183 6.0526 6.0526 6.2255 6.2255 6.3134 6.3134 6.4278 6.4278 6.8806 6.8806 7.3553 7.3553 8.2051 8.2051 9.8249 9.8249 k = 0.1905 0.5000 0.1905 ( 5604 PWs) bands (ev): -17.1751 -17.1751 -17.1263 -17.1263 -17.0269 -17.0269 -15.2444 -15.2444 -15.1468 -15.1468 -15.1435 -15.1435 -6.6528 -6.6528 -6.6179 -6.6179 -6.0864 -6.0864 -5.8582 -5.8582 -5.8324 -5.8324 -3.8086 -3.8086 -3.7224 -3.7224 -3.6886 -3.6886 -3.0282 -3.0282 -2.8047 -2.8047 -2.6397 -2.6397 -2.2422 -2.2422 -2.2079 -2.2079 -2.1747 -2.1747 -2.0231 -2.0231 -1.9135 -1.9135 -1.6913 -1.6913 -0.8755 -0.8755 -0.8365 -0.8365 -0.6798 -0.6798 -0.3034 -0.3034 -0.0569 -0.0569 0.7878 0.7878 1.9076 1.9076 2.0561 2.0561 2.0779 2.0779 2.1844 2.1844 2.2052 2.2052 3.1222 3.1222 5.4979 5.4979 5.9481 5.9481 5.9917 5.9917 6.0337 6.0337 6.1979 6.1979 6.2865 6.2865 6.4368 6.4368 6.8721 6.8721 7.3401 7.3401 8.1888 8.1888 9.8398 9.8398 k = 0.1786 0.5000 0.1786 ( 5600 PWs) bands (ev): -17.1800 -17.1800 -17.1290 -17.1290 -17.0247 -17.0247 -15.2441 -15.2441 -15.1415 -15.1415 -15.1385 -15.1385 -6.6782 -6.6782 -6.6403 -6.6403 -6.0836 -6.0836 -5.8618 -5.8618 -5.8321 -5.8321 -3.8125 -3.8125 -3.7229 -3.7229 -3.6875 -3.6875 -3.0207 -3.0207 -2.8037 -2.8037 -2.6287 -2.6287 -2.2058 -2.2058 -2.1888 -2.1888 -2.1509 -2.1509 -2.0076 -2.0076 -1.9133 -1.9133 -1.6534 -1.6534 -0.8957 -0.8957 -0.8530 -0.8530 -0.6961 -0.6961 -0.3264 -0.3264 -0.0759 -0.0759 0.8569 0.8569 1.8937 1.8937 2.0682 2.0682 2.0929 2.0929 2.1822 2.1822 2.2142 2.2142 3.0606 3.0606 5.4686 5.4686 5.9321 5.9321 5.9640 5.9640 6.0150 6.0150 6.1707 6.1707 6.2639 6.2639 6.4462 6.4462 6.8643 6.8643 7.3243 7.3243 8.1740 8.1740 9.8545 9.8545 k = 0.1667 0.5000 0.1667 ( 5608 PWs) bands (ev): -17.1847 -17.1847 -17.1316 -17.1316 -17.0225 -17.0225 -15.2438 -15.2438 -15.1364 -15.1364 -15.1337 -15.1337 -6.7025 -6.7025 -6.6616 -6.6616 -6.0808 -6.0808 -5.8655 -5.8655 -5.8315 -5.8315 -3.8163 -3.8163 -3.7234 -3.7234 -3.6861 -3.6861 -3.0132 -3.0132 -2.8028 -2.8028 -2.6182 -2.6182 -2.1968 -2.1968 -2.1554 -2.1554 -2.1180 -2.1180 -1.9906 -1.9906 -1.9130 -1.9130 -1.6165 -1.6165 -0.9208 -0.9208 -0.8634 -0.8634 -0.7124 -0.7124 -0.3494 -0.3494 -0.0939 -0.0939 0.9259 0.9259 1.8809 1.8809 2.0797 2.0797 2.1075 2.1075 2.1800 2.1800 2.2221 2.2221 2.9991 2.9991 5.4392 5.4392 5.9139 5.9139 5.9382 5.9382 5.9964 5.9964 6.1441 6.1441 6.2453 6.2453 6.4557 6.4557 6.8571 6.8571 7.3081 7.3081 8.1607 8.1607 9.8689 9.8689 k = 0.1548 0.5000 0.1548 ( 5604 PWs) bands (ev): -17.1892 -17.1892 -17.1341 -17.1341 -17.0204 -17.0204 -15.2436 -15.2436 -15.1316 -15.1316 -15.1291 -15.1291 -6.7257 -6.7257 -6.6817 -6.6817 -6.0781 -6.0781 -5.8692 -5.8692 -5.8308 -5.8308 -3.8198 -3.8198 -3.7240 -3.7240 -3.6846 -3.6846 -3.0059 -3.0059 -2.8020 -2.8020 -2.6081 -2.6081 -2.1964 -2.1964 -2.1168 -2.1168 -2.0857 -2.0857 -1.9721 -1.9721 -1.9125 -1.9125 -1.5812 -1.5812 -0.9466 -0.9466 -0.8712 -0.8712 -0.7286 -0.7286 -0.3726 -0.3726 -0.1108 -0.1108 0.9944 0.9944 1.8695 1.8695 2.0906 2.0906 2.1214 2.1214 2.1779 2.1779 2.2289 2.2289 2.9377 2.9377 5.4098 5.4098 5.8903 5.8903 5.9184 5.9184 5.9781 5.9781 6.1186 6.1186 6.2301 6.2301 6.4649 6.4649 6.8503 6.8503 7.2917 7.2917 8.1489 8.1489 9.8830 9.8830 k = 0.1429 0.5000 0.1429 ( 5592 PWs) bands (ev): -17.1935 -17.1935 -17.1364 -17.1364 -17.0184 -17.0184 -15.2433 -15.2433 -15.1269 -15.1269 -15.1248 -15.1248 -6.7477 -6.7477 -6.7006 -6.7006 -6.0753 -6.0753 -5.8728 -5.8728 -5.8300 -5.8300 -3.8232 -3.8232 -3.7246 -3.7246 -3.6830 -3.6830 -2.9987 -2.9987 -2.8013 -2.8013 -2.5986 -2.5986 -2.1972 -2.1972 -2.0792 -2.0792 -2.0555 -2.0555 -1.9523 -1.9523 -1.9117 -1.9117 -1.5481 -1.5481 -0.9708 -0.9708 -0.8778 -0.8778 -0.7444 -0.7444 -0.3963 -0.3963 -0.1265 -0.1265 1.0620 1.0620 1.8597 1.8597 2.1008 2.1008 2.1345 2.1345 2.1762 2.1762 2.2346 2.2346 2.8764 2.8764 5.3809 5.3809 5.8629 5.8629 5.9040 5.9040 5.9603 5.9603 6.0943 6.0943 6.2175 6.2175 6.4739 6.4739 6.8439 6.8439 7.2753 7.2753 8.1384 8.1384 9.8967 9.8967 k = 0.1310 0.5000 0.1310 ( 5588 PWs) bands (ev): -17.1975 -17.1975 -17.1386 -17.1386 -17.0165 -17.0165 -15.2431 -15.2431 -15.1226 -15.1226 -15.1207 -15.1207 -6.7682 -6.7682 -6.7182 -6.7182 -6.0727 -6.0727 -5.8764 -5.8764 -5.8292 -5.8292 -3.8263 -3.8263 -3.7252 -3.7252 -3.6814 -3.6814 -2.9917 -2.9917 -2.8007 -2.8007 -2.5898 -2.5898 -2.1984 -2.1984 -2.0436 -2.0436 -2.0276 -2.0276 -1.9325 -1.9325 -1.9100 -1.9100 -1.5182 -1.5182 -0.9921 -0.9921 -0.8838 -0.8838 -0.7599 -0.7599 -0.4204 -0.4204 -0.1409 -0.1409 1.1283 1.1283 1.8519 1.8519 2.1104 2.1104 2.1465 2.1465 2.1752 2.1752 2.2393 2.2393 2.8152 2.8152 5.3526 5.3526 5.8350 5.8350 5.8922 5.8922 5.9432 5.9432 6.0715 6.0715 6.2071 6.2071 6.4826 6.4826 6.8379 6.8379 7.2591 7.2591 8.1292 8.1292 9.9098 9.9098 k = 0.1190 0.5000 0.1190 ( 5584 PWs) bands (ev): -17.2012 -17.2012 -17.1407 -17.1407 -17.0147 -17.0147 -15.2429 -15.2429 -15.1185 -15.1185 -15.1170 -15.1170 -6.7873 -6.7873 -6.7344 -6.7344 -6.0701 -6.0701 -5.8797 -5.8797 -5.8283 -5.8283 -3.8291 -3.8291 -3.7258 -3.7258 -3.6797 -3.6797 -2.9850 -2.9850 -2.8002 -2.8002 -2.5815 -2.5815 -2.1997 -2.1997 -2.0104 -2.0104 -2.0014 -2.0014 -1.9174 -1.9174 -1.9032 -1.9032 -1.4924 -1.4924 -1.0091 -1.0091 -0.8894 -0.8894 -0.7749 -0.7749 -0.4449 -0.4449 -0.1540 -0.1540 1.1928 1.1928 1.8465 1.8465 2.1191 2.1191 2.1564 2.1564 2.1758 2.1758 2.2430 2.2430 2.7542 2.7542 5.3255 5.3255 5.8083 5.8083 5.8820 5.8820 5.9269 5.9269 6.0501 6.0501 6.1984 6.1984 6.4907 6.4907 6.8322 6.8322 7.2435 7.2435 8.1211 8.1211 9.9223 9.9223 k = 0.1071 0.5000 0.1071 ( 5580 PWs) bands (ev): -17.2046 -17.2046 -17.1426 -17.1426 -17.0131 -17.0131 -15.2427 -15.2427 -15.1147 -15.1147 -15.1135 -15.1135 -6.8048 -6.8048 -6.7491 -6.7491 -6.0676 -6.0676 -5.8829 -5.8829 -5.8275 -5.8275 -3.8317 -3.8317 -3.7264 -3.7264 -3.6781 -3.6781 -2.9787 -2.9787 -2.7998 -2.7998 -2.5740 -2.5740 -2.2010 -2.2010 -1.9818 -1.9818 -1.9747 -1.9747 -1.9128 -1.9128 -1.8861 -1.8861 -1.4718 -1.4718 -1.0207 -1.0207 -0.8946 -0.8946 -0.7891 -0.7891 -0.4698 -0.4698 -0.1657 -0.1657 1.2546 1.2546 1.8440 1.8440 2.1272 2.1272 2.1621 2.1621 2.1799 2.1799 2.2458 2.2458 2.6933 2.6933 5.2997 5.2997 5.7833 5.7833 5.8730 5.8730 5.9118 5.9118 6.0302 6.0302 6.1912 6.1912 6.4984 6.4984 6.8268 6.8268 7.2285 7.2285 8.1141 8.1141 9.9341 9.9341 k = 0.0952 0.5000 0.0952 ( 5590 PWs) bands (ev): -17.2077 -17.2077 -17.1443 -17.1443 -17.0116 -17.0116 -15.2425 -15.2425 -15.1113 -15.1113 -15.1104 -15.1104 -6.8206 -6.8206 -6.7625 -6.7625 -6.0653 -6.0653 -5.8859 -5.8859 -5.8267 -5.8267 -3.8341 -3.8341 -3.7269 -3.7269 -3.6765 -3.6765 -2.9727 -2.9727 -2.7995 -2.7995 -2.5674 -2.5674 -2.2024 -2.2024 -1.9582 -1.9582 -1.9473 -1.9473 -1.9106 -1.9106 -1.8675 -1.8675 -1.4571 -1.4571 -1.0260 -1.0260 -0.8995 -0.8995 -0.8025 -0.8025 -0.4950 -0.4950 -0.1759 -0.1759 1.3129 1.3129 1.8452 1.8452 2.1343 2.1343 2.1638 2.1638 2.1876 2.1876 2.2479 2.2479 2.6327 2.6327 5.2757 5.2757 5.7605 5.7605 5.8650 5.8650 5.8979 5.8979 6.0120 6.0120 6.1851 6.1851 6.5054 6.5054 6.8219 6.8219 7.2145 7.2145 8.1081 8.1081 9.9450 9.9450 k = 0.0833 0.5000 0.0833 ( 5578 PWs) bands (ev): -17.2104 -17.2104 -17.1459 -17.1459 -17.0103 -17.0103 -15.2423 -15.2423 -15.1082 -15.1082 -15.1076 -15.1076 -6.8348 -6.8348 -6.7743 -6.7743 -6.0632 -6.0632 -5.8886 -5.8886 -5.8259 -5.8259 -3.8362 -3.8362 -3.7274 -3.7274 -3.6751 -3.6751 -2.9673 -2.9673 -2.7992 -2.7992 -2.5613 -2.5613 -2.2035 -2.2035 -1.9372 -1.9372 -1.9237 -1.9237 -1.9062 -1.9062 -1.8503 -1.8503 -1.4485 -1.4485 -1.0249 -1.0249 -0.9040 -0.9040 -0.8149 -0.8149 -0.5202 -0.5202 -0.1849 -0.1849 1.3664 1.3664 1.8509 1.8509 2.1406 2.1406 2.1642 2.1642 2.1960 2.1960 2.2492 2.2492 2.5725 2.5725 5.2538 5.2538 5.7401 5.7401 5.8581 5.8581 5.8855 5.8855 5.9956 5.9956 6.1801 6.1801 6.5118 6.5118 6.8174 6.8174 7.2016 7.2016 8.1031 8.1031 9.9550 9.9550 k = 0.0714 0.5000 0.0714 ( 5586 PWs) bands (ev): -17.2128 -17.2128 -17.1472 -17.1472 -17.0091 -17.0091 -15.2422 -15.2422 -15.1055 -15.1055 -15.1051 -15.1051 -6.8471 -6.8471 -6.7847 -6.7847 -6.0612 -6.0612 -5.8911 -5.8911 -5.8252 -5.8252 -3.8380 -3.8380 -3.7278 -3.7278 -3.6738 -3.6738 -2.9624 -2.9624 -2.7990 -2.7990 -2.5562 -2.5562 -2.2047 -2.2047 -1.9212 -1.9212 -1.9090 -1.9090 -1.8919 -1.8919 -1.8355 -1.8355 -1.4454 -1.4454 -1.0178 -1.0178 -0.9081 -0.9081 -0.8262 -0.8262 -0.5451 -0.5451 -0.1925 -0.1925 1.4140 1.4140 1.8620 1.8620 2.1459 2.1459 2.1646 2.1646 2.2042 2.2042 2.2500 2.2500 2.5130 2.5130 5.2342 5.2342 5.7222 5.7222 5.8521 5.8521 5.8747 5.8747 5.9809 5.9809 6.1759 6.1759 6.5175 6.5175 6.8134 6.8134 7.1901 7.1901 8.0989 8.0989 9.9639 9.9639 k = 0.0595 0.5000 0.0595 ( 5588 PWs) bands (ev): -17.2149 -17.2149 -17.1484 -17.1484 -17.0081 -17.0081 -15.2421 -15.2421 -15.1032 -15.1032 -15.1030 -15.1030 -6.8577 -6.8577 -6.7935 -6.7935 -6.0595 -6.0595 -5.8933 -5.8933 -5.8246 -5.8246 -3.8395 -3.8395 -3.7281 -3.7281 -3.6727 -3.6727 -2.9582 -2.9582 -2.7988 -2.7988 -2.5518 -2.5518 -2.2056 -2.2056 -1.9156 -1.9156 -1.8929 -1.8929 -1.8730 -1.8730 -1.8237 -1.8237 -1.4467 -1.4467 -1.0062 -1.0062 -0.9118 -0.9118 -0.8362 -0.8362 -0.5690 -0.5690 -0.1988 -0.1988 1.4543 1.4543 1.8790 1.8790 2.1499 2.1499 2.1658 2.1658 2.2115 2.2115 2.2502 2.2502 2.4545 2.4545 5.2171 5.2171 5.7069 5.7069 5.8471 5.8471 5.8656 5.8656 5.9682 5.9682 6.1726 6.1726 6.5224 6.5224 6.8099 6.8099 7.1800 7.1800 8.0954 8.0954 9.9716 9.9716 k = 0.0476 0.5000 0.0476 ( 5586 PWs) bands (ev): -17.2166 -17.2166 -17.1494 -17.1494 -17.0073 -17.0073 -15.2420 -15.2420 -15.1013 -15.1013 -15.1013 -15.1013 -6.8664 -6.8664 -6.8007 -6.8007 -6.0581 -6.0581 -5.8951 -5.8951 -5.8241 -5.8241 -3.8408 -3.8408 -3.7284 -3.7284 -3.6717 -3.6717 -2.9546 -2.9546 -2.7987 -2.7987 -2.5482 -2.5482 -2.2064 -2.2064 -1.9140 -1.9140 -1.8753 -1.8753 -1.8562 -1.8562 -1.8152 -1.8152 -1.4507 -1.4507 -0.9917 -0.9917 -0.9150 -0.9150 -0.8448 -0.8448 -0.5913 -0.5913 -0.2039 -0.2039 1.4866 1.4866 1.9017 1.9017 2.1523 2.1523 2.1685 2.1685 2.2179 2.2179 2.2500 2.2500 2.3977 2.3977 5.2029 5.2029 5.6943 5.6943 5.8431 5.8431 5.8582 5.8582 5.9575 5.9575 6.1699 6.1699 6.5265 6.5265 6.8070 6.8070 7.1715 7.1715 8.0926 8.0926 9.9781 9.9781 k = 0.0357 0.5000 0.0357 ( 5578 PWs) bands (ev): -17.2179 -17.2179 -17.1501 -17.1501 -17.0066 -17.0066 -15.2419 -15.2419 -15.1000 -15.1000 -15.0998 -15.0998 -6.8732 -6.8732 -6.8063 -6.8063 -6.0570 -6.0570 -5.8965 -5.8965 -5.8237 -5.8237 -3.8418 -3.8418 -3.7287 -3.7287 -3.6710 -3.6710 -2.9517 -2.9517 -2.7986 -2.7986 -2.5454 -2.5454 -2.2071 -2.2071 -1.9131 -1.9131 -1.8590 -1.8590 -1.8425 -1.8425 -1.8102 -1.8102 -1.4558 -1.4558 -0.9766 -0.9766 -0.9175 -0.9175 -0.8520 -0.8520 -0.6109 -0.6109 -0.2078 -0.2078 1.5106 1.5106 1.9286 1.9286 2.1533 2.1533 2.1734 2.1734 2.2232 2.2232 2.2495 2.2495 2.3436 2.3436 5.1916 5.1916 5.6845 5.6845 5.8399 5.8399 5.8524 5.8524 5.9490 5.9490 6.1679 6.1679 6.5297 6.5297 6.8047 6.8047 7.1648 7.1648 8.0906 8.0906 9.9832 9.9832 k = 0.0238 0.5000 0.0238 ( 5582 PWs) bands (ev): -17.2189 -17.2189 -17.1506 -17.1506 -17.0062 -17.0062 -15.2418 -15.2418 -15.0990 -15.0990 -15.0987 -15.0987 -6.8781 -6.8781 -6.8104 -6.8104 -6.0561 -6.0561 -5.8975 -5.8975 -5.8235 -5.8235 -3.8425 -3.8425 -3.7288 -3.7288 -3.6704 -3.6704 -2.9497 -2.9497 -2.7986 -2.7986 -2.5434 -2.5434 -2.2075 -2.2075 -1.9127 -1.9127 -1.8449 -1.8449 -1.8320 -1.8320 -1.8091 -1.8091 -1.4606 -1.4606 -0.9632 -0.9632 -0.9193 -0.9193 -0.8576 -0.8576 -0.6266 -0.6266 -0.2106 -0.2106 1.5269 1.5269 1.9560 1.9560 2.1536 2.1536 2.1812 2.1812 2.2273 2.2273 2.2485 2.2485 2.2940 2.2940 5.1835 5.1835 5.6774 5.6774 5.8377 5.8377 5.8484 5.8484 5.9428 5.9428 6.1665 6.1665 6.5320 6.5320 6.8030 6.8030 7.1600 7.1600 8.0891 8.0891 9.9869 9.9869 k = 0.0119 0.5000 0.0119 ( 5582 PWs) bands (ev): -17.2194 -17.2194 -17.1510 -17.1510 -17.0059 -17.0059 -15.2418 -15.2418 -15.0984 -15.0984 -15.0981 -15.0981 -6.8810 -6.8810 -6.8128 -6.8128 -6.0556 -6.0556 -5.8982 -5.8982 -5.8233 -5.8233 -3.8429 -3.8429 -3.7290 -3.7290 -3.6701 -3.6701 -2.9484 -2.9484 -2.7986 -2.7986 -2.5422 -2.5422 -2.2078 -2.2078 -1.9125 -1.9125 -1.8348 -1.8348 -1.8240 -1.8240 -1.8115 -1.8115 -1.4639 -1.4639 -0.9539 -0.9539 -0.9203 -0.9203 -0.8613 -0.8613 -0.6368 -0.6368 -0.2122 -0.2122 1.5363 1.5363 1.9777 1.9777 2.1535 2.1535 2.1944 2.1944 2.2300 2.2300 2.2439 2.2439 2.2552 2.2552 5.1785 5.1785 5.6732 5.6732 5.8364 5.8364 5.8459 5.8459 5.9390 5.9390 6.1656 6.1656 6.5335 6.5335 6.8020 6.8020 7.1570 7.1570 8.0882 8.0882 9.9891 9.9891 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -17.2196 -17.2196 -17.1511 -17.1511 -17.0058 -17.0058 -15.2418 -15.2418 -15.0982 -15.0982 -15.0978 -15.0978 -6.8820 -6.8820 -6.8136 -6.8136 -6.0554 -6.0554 -5.8984 -5.8984 -5.8232 -5.8232 -3.8431 -3.8431 -3.7290 -3.7290 -3.6700 -3.6700 -2.9480 -2.9480 -2.7985 -2.7985 -2.5416 -2.5416 -2.2078 -2.2078 -1.9123 -1.9123 -1.8310 -1.8310 -1.8171 -1.8171 -1.8165 -1.8165 -1.4651 -1.4651 -0.9505 -0.9505 -0.9206 -0.9206 -0.8626 -0.8626 -0.6404 -0.6404 -0.2128 -0.2128 1.5393 1.5393 1.9863 1.9863 2.1535 2.1535 2.2155 2.2155 2.2166 2.2166 2.2310 2.2310 2.2499 2.2499 5.1769 5.1769 5.6718 5.6718 5.8360 5.8360 5.8451 5.8451 5.9378 5.9378 6.1653 6.1653 6.5339 6.5339 6.8017 6.8017 7.1561 7.1561 8.0879 8.0879 9.9899 9.9899 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -17.1422 -17.1422 -17.0789 -17.0789 -17.0779 -17.0779 -15.2543 -15.2543 -15.2373 -15.2373 -15.0991 -15.0991 -6.8005 -6.8005 -6.1587 -6.1587 -6.0367 -6.0367 -5.8931 -5.8931 -5.8015 -5.8015 -3.8571 -3.8571 -3.7236 -3.7236 -3.6846 -3.6846 -3.0741 -3.0741 -3.0522 -3.0522 -2.8420 -2.8420 -2.7236 -2.7236 -2.2075 -2.2075 -2.1476 -2.1476 -1.9072 -1.9072 -1.7856 -1.7856 -1.2658 -1.2658 -1.0698 -1.0698 -0.7876 -0.7876 -0.6650 -0.6650 -0.5884 -0.5884 0.2807 0.2807 0.9197 0.9197 1.2452 1.2452 1.7757 1.7757 2.2138 2.2138 2.2370 2.2370 2.3234 2.3234 3.4905 3.4905 5.6657 5.6657 6.0143 6.0143 6.0402 6.0402 6.1900 6.1900 6.3014 6.3014 6.3950 6.3950 6.4255 6.4255 7.1415 7.1415 7.2346 7.2346 8.4642 8.4642 9.5157 9.5157 k = 0.5000 0.5000 0.0167 ( 5560 PWs) bands (ev): -17.1420 -17.1420 -17.0789 -17.0789 -17.0779 -17.0779 -15.2543 -15.2543 -15.2373 -15.2373 -15.0995 -15.0995 -6.7989 -6.7989 -6.1586 -6.1586 -6.0370 -6.0370 -5.8927 -5.8927 -5.8014 -5.8014 -3.8567 -3.8567 -3.7235 -3.7235 -3.6845 -3.6845 -3.0743 -3.0743 -3.0524 -3.0524 -2.8420 -2.8420 -2.7238 -2.7238 -2.2074 -2.2074 -2.1477 -2.1477 -1.9073 -1.9073 -1.7894 -1.7894 -1.2863 -1.2863 -1.0487 -1.0487 -0.7876 -0.7876 -0.6639 -0.6639 -0.5880 -0.5880 0.2808 0.2808 0.9046 0.9046 1.2600 1.2600 1.7758 1.7758 2.2127 2.2127 2.2359 2.2359 2.3231 2.3231 3.4922 3.4922 5.6664 5.6664 6.0150 6.0150 6.0430 6.0430 6.1903 6.1903 6.3020 6.3020 6.3946 6.3946 6.4253 6.4253 7.1422 7.1422 7.2353 7.2353 8.4645 8.4645 9.5163 9.5163 k = 0.5000 0.5000 0.0333 ( 5584 PWs) bands (ev): -17.1415 -17.1415 -17.0788 -17.0788 -17.0779 -17.0779 -15.2542 -15.2542 -15.2374 -15.2374 -15.1007 -15.1007 -6.7941 -6.7941 -6.1585 -6.1585 -6.0381 -6.0381 -5.8915 -5.8915 -5.8012 -5.8012 -3.8556 -3.8556 -3.7233 -3.7233 -3.6844 -3.6844 -3.0749 -3.0749 -3.0532 -3.0532 -2.8421 -2.8421 -2.7244 -2.7244 -2.2071 -2.2071 -2.1479 -2.1479 -1.9077 -1.9077 -1.8008 -1.8008 -1.3324 -1.3324 -1.0005 -1.0005 -0.7874 -0.7874 -0.6608 -0.6608 -0.5867 -0.5867 0.2811 0.2811 0.8655 0.8655 1.2979 1.2979 1.7759 1.7759 2.2091 2.2091 2.2326 2.2326 2.3223 2.3223 3.4973 3.4973 5.6685 5.6685 6.0172 6.0172 6.0514 6.0514 6.1910 6.1910 6.3038 6.3038 6.3934 6.3934 6.4249 6.4249 7.1442 7.1442 7.2373 7.2373 8.4653 8.4653 9.5181 9.5181 k = 0.5000 0.5000 0.0500 ( 5580 PWs) bands (ev): -17.1406 -17.1406 -17.0787 -17.0787 -17.0778 -17.0778 -15.2542 -15.2542 -15.2376 -15.2376 -15.1027 -15.1027 -6.7861 -6.7861 -6.1582 -6.1582 -6.0399 -6.0399 -5.8895 -5.8895 -5.8008 -5.8008 -3.8538 -3.8538 -3.7228 -3.7228 -3.6842 -3.6842 -3.0758 -3.0758 -3.0544 -3.0544 -2.8422 -2.8422 -2.7252 -2.7252 -2.2065 -2.2065 -2.1481 -2.1481 -1.9080 -1.9080 -1.8194 -1.8194 -1.3876 -1.3876 -0.9417 -0.9417 -0.7871 -0.7871 -0.6557 -0.6557 -0.5846 -0.5846 0.2816 0.2816 0.8128 0.8128 1.3486 1.3486 1.7761 1.7761 2.2034 2.2034 2.2271 2.2271 2.3210 2.3210 3.5058 3.5058 5.6719 5.6719 6.0208 6.0208 6.0649 6.0649 6.1922 6.1922 6.3072 6.3072 6.3915 6.3915 6.4241 6.4241 7.1476 7.1476 7.2406 7.2406 8.4666 8.4666 9.5211 9.5211 k = 0.5000 0.5000 0.0667 ( 5576 PWs) bands (ev): -17.1393 -17.1393 -17.0786 -17.0786 -17.0776 -17.0776 -15.2541 -15.2541 -15.2378 -15.2378 -15.1055 -15.1055 -6.7750 -6.7750 -6.1578 -6.1578 -6.0423 -6.0423 -5.8869 -5.8869 -5.8003 -5.8003 -3.8512 -3.8512 -3.7222 -3.7222 -3.6839 -3.6839 -3.0771 -3.0771 -3.0560 -3.0560 -2.8422 -2.8422 -2.7264 -2.7264 -2.2057 -2.2057 -2.1483 -2.1483 -1.9088 -1.9088 -1.8448 -1.8448 -1.4458 -1.4458 -0.8787 -0.8787 -0.7867 -0.7867 -0.6488 -0.6488 -0.5815 -0.5815 0.2823 0.2823 0.7533 0.7533 1.4053 1.4053 1.7764 1.7764 2.1954 2.1954 2.2196 2.2196 2.3192 2.3192 3.5177 3.5177 5.6767 5.6767 6.0258 6.0258 6.0830 6.0830 6.1939 6.1939 6.3125 6.3125 6.3890 6.3890 6.4231 6.4231 7.1524 7.1524 7.2453 7.2453 8.4685 8.4685 9.5252 9.5252 k = 0.5000 0.5000 0.0833 ( 5584 PWs) bands (ev): -17.1377 -17.1377 -17.0784 -17.0784 -17.0775 -17.0775 -15.2540 -15.2540 -15.2381 -15.2381 -15.1090 -15.1090 -6.7608 -6.7608 -6.1573 -6.1573 -6.0452 -6.0452 -5.8837 -5.8837 -5.7996 -5.7996 -3.8479 -3.8479 -3.7215 -3.7215 -3.6835 -3.6835 -3.0787 -3.0787 -3.0581 -3.0581 -2.8423 -2.8423 -2.7280 -2.7280 -2.2048 -2.2048 -2.1487 -2.1487 -1.9113 -1.9113 -1.8753 -1.8753 -1.5044 -1.5044 -0.8140 -0.8140 -0.7861 -0.7861 -0.6405 -0.6405 -0.5775 -0.5775 0.2832 0.2832 0.6904 0.6904 1.4645 1.4645 1.7768 1.7768 2.1853 2.1853 2.2100 2.2100 2.3170 2.3170 3.5330 3.5330 5.6827 5.6827 6.0322 6.0322 6.1047 6.1047 6.1961 6.1961 6.3204 6.3204 6.3858 6.3858 6.4216 6.4216 7.1585 7.1585 7.2510 7.2510 8.4710 8.4710 9.5302 9.5302 k = 0.5000 0.5000 0.1000 ( 5584 PWs) bands (ev): -17.1358 -17.1358 -17.0782 -17.0782 -17.0773 -17.0773 -15.2539 -15.2539 -15.2385 -15.2385 -15.1133 -15.1133 -6.7436 -6.7436 -6.1567 -6.1567 -6.0485 -6.0485 -5.8799 -5.8799 -5.7987 -5.7987 -3.8439 -3.8439 -3.7206 -3.7206 -3.6830 -3.6830 -3.0808 -3.0808 -3.0606 -3.0606 -2.8424 -2.8424 -2.7299 -2.7299 -2.2037 -2.2037 -2.1491 -2.1491 -1.9261 -1.9261 -1.8995 -1.8995 -1.5625 -1.5625 -0.7854 -0.7854 -0.7489 -0.7489 -0.6308 -0.6308 -0.5723 -0.5723 0.2842 0.2842 0.6259 0.6259 1.5243 1.5243 1.7773 1.7773 2.1732 2.1732 2.1984 2.1984 2.3143 2.3143 3.5517 3.5517 5.6899 5.6899 6.0398 6.0398 6.1282 6.1282 6.1988 6.1988 6.3319 6.3319 6.3823 6.3823 6.4198 6.4198 7.1659 7.1659 7.2579 7.2579 8.4741 8.4741 9.5360 9.5360 k = 0.5000 0.5000 0.1167 ( 5600 PWs) bands (ev): -17.1336 -17.1336 -17.0779 -17.0779 -17.0771 -17.0771 -15.2537 -15.2537 -15.2389 -15.2389 -15.1182 -15.1182 -6.7237 -6.7237 -6.1560 -6.1560 -6.0521 -6.0521 -5.8758 -5.8758 -5.7977 -5.7977 -3.8393 -3.8393 -3.7195 -3.7195 -3.6825 -3.6825 -3.0832 -3.0832 -3.0635 -3.0635 -2.8425 -2.8425 -2.7324 -2.7324 -2.2026 -2.2026 -2.1497 -2.1497 -1.9655 -1.9655 -1.9049 -1.9049 -1.6193 -1.6193 -0.7844 -0.7844 -0.6851 -0.6851 -0.6198 -0.6198 -0.5654 -0.5654 0.2854 0.2854 0.5609 0.5609 1.5835 1.5835 1.7778 1.7778 2.1591 2.1591 2.1850 2.1850 2.3113 2.3113 3.5738 3.5738 5.6982 5.6982 6.0485 6.0485 6.1517 6.1517 6.2020 6.2020 6.3475 6.3475 6.3795 6.3795 6.4177 6.4177 7.1746 7.1746 7.2658 7.2658 8.4777 8.4777 9.5425 9.5425 k = 0.5000 0.5000 0.1333 ( 5616 PWs) bands (ev): -17.1311 -17.1311 -17.0776 -17.0776 -17.0768 -17.0768 -15.2536 -15.2536 -15.2394 -15.2394 -15.1237 -15.1237 -6.7010 -6.7010 -6.1553 -6.1553 -6.0559 -6.0559 -5.8714 -5.8714 -5.7965 -5.7965 -3.8341 -3.8341 -3.7183 -3.7183 -3.6818 -3.6818 -3.0859 -3.0859 -3.0667 -3.0667 -2.8426 -2.8426 -2.7352 -2.7352 -2.2013 -2.2013 -2.1503 -2.1503 -2.0138 -2.0138 -1.9064 -1.9064 -1.6745 -1.6745 -0.7833 -0.7833 -0.6277 -0.6277 -0.6058 -0.6058 -0.5538 -0.5538 0.2868 0.2868 0.4961 0.4961 1.6414 1.6414 1.7784 1.7784 2.1434 2.1434 2.1698 2.1698 2.3079 2.3079 3.5992 3.5992 5.7075 5.7075 6.0584 6.0584 6.1728 6.1728 6.2059 6.2059 6.3615 6.3615 6.3846 6.3846 6.4157 6.4157 7.1845 7.1845 7.2746 7.2746 8.4820 8.4820 9.5493 9.5493 k = 0.5000 0.5000 0.1500 ( 5616 PWs) bands (ev): -17.1283 -17.1283 -17.0773 -17.0773 -17.0766 -17.0766 -15.2534 -15.2534 -15.2399 -15.2399 -15.1298 -15.1298 -6.6758 -6.6758 -6.1545 -6.1545 -6.0598 -6.0598 -5.8667 -5.8667 -5.7951 -5.7951 -3.8283 -3.8283 -3.7170 -3.7170 -3.6811 -3.6811 -3.0891 -3.0891 -3.0702 -3.0702 -2.8428 -2.8428 -2.7383 -2.7383 -2.2000 -2.2000 -2.1510 -2.1510 -2.0672 -2.0672 -1.9072 -1.9072 -1.7276 -1.7276 -0.7818 -0.7818 -0.6011 -0.6011 -0.5780 -0.5780 -0.5246 -0.5246 0.2882 0.2882 0.4319 0.4319 1.6974 1.6974 1.7790 1.7790 2.1261 2.1261 2.1531 2.1531 2.3043 2.3043 3.6278 3.6278 5.7176 5.7176 6.0692 6.0692 6.1894 6.1894 6.2109 6.2109 6.3613 6.3613 6.4044 6.4044 6.4208 6.4208 7.1955 7.1955 7.2841 7.2841 8.4870 8.4870 9.5564 9.5564 k = 0.5000 0.5000 0.1667 ( 5628 PWs) bands (ev): -17.1253 -17.1253 -17.0770 -17.0770 -17.0763 -17.0763 -15.2532 -15.2532 -15.2404 -15.2404 -15.1364 -15.1364 -6.6482 -6.6482 -6.1537 -6.1537 -6.0637 -6.0637 -5.8619 -5.8619 -5.7936 -5.7936 -3.8219 -3.8219 -3.7156 -3.7156 -3.6802 -3.6802 -3.0925 -3.0925 -3.0739 -3.0739 -2.8429 -2.8429 -2.7420 -2.7420 -2.1987 -2.1987 -2.1520 -2.1520 -2.1244 -2.1244 -1.9081 -1.9081 -1.7784 -1.7784 -0.7801 -0.7801 -0.5880 -0.5880 -0.5614 -0.5614 -0.4707 -0.4707 0.2896 0.2896 0.3689 0.3689 1.7511 1.7511 1.7797 1.7797 2.1075 2.1075 2.1349 2.1349 2.3004 2.3004 3.6595 3.6595 5.7285 5.7285 6.0809 6.0809 6.2009 6.2009 6.2171 6.2171 6.3563 6.3563 6.4052 6.4052 6.4569 6.4569 7.2076 7.2076 7.2942 7.2942 8.4926 8.4926 9.5634 9.5634 k = 0.5000 0.5000 0.1833 ( 5612 PWs) bands (ev): -17.1221 -17.1221 -17.0767 -17.0767 -17.0760 -17.0760 -15.2530 -15.2530 -15.2410 -15.2410 -15.1433 -15.1433 -6.6185 -6.6185 -6.1530 -6.1530 -6.0676 -6.0676 -5.8569 -5.8569 -5.7919 -5.7919 -3.8150 -3.8150 -3.7141 -3.7141 -3.6792 -3.6792 -3.0962 -3.0962 -3.0779 -3.0779 -2.8430 -2.8430 -2.7461 -2.7461 -2.1979 -2.1979 -2.1855 -2.1855 -2.1519 -2.1519 -1.9094 -1.9094 -1.8260 -1.8260 -0.7780 -0.7780 -0.5758 -0.5758 -0.5511 -0.5511 -0.4099 -0.4099 0.2889 0.2889 0.3093 0.3093 1.7802 1.7802 1.8026 1.8026 2.0877 2.0877 2.1154 2.1154 2.2963 2.2963 3.6942 3.6942 5.7400 5.7400 6.0933 6.0933 6.2084 6.2084 6.2239 6.2239 6.3502 6.3502 6.4013 6.4013 6.5054 6.5054 7.2208 7.2208 7.3049 7.3049 8.4989 8.4989 9.5700 9.5700 k = 0.5000 0.5000 0.2000 ( 5616 PWs) bands (ev): -17.1187 -17.1187 -17.0763 -17.0763 -17.0756 -17.0756 -15.2528 -15.2528 -15.2416 -15.2416 -15.1507 -15.1507 -6.5870 -6.5870 -6.1522 -6.1522 -6.0714 -6.0714 -5.8519 -5.8519 -5.7901 -5.7901 -3.8077 -3.8077 -3.7125 -3.7125 -3.6782 -3.6782 -3.1002 -3.1002 -3.0821 -3.0821 -2.8432 -2.8432 -2.7507 -2.7507 -2.2495 -2.2495 -2.1963 -2.1963 -2.1528 -2.1528 -1.9131 -1.9131 -1.8686 -1.8686 -0.7756 -0.7756 -0.5639 -0.5639 -0.5421 -0.5421 -0.3484 -0.3484 0.2441 0.2441 0.2951 0.2951 1.7810 1.7810 1.8510 1.8510 2.0670 2.0670 2.0948 2.0948 2.2921 2.2921 3.7316 3.7316 5.7520 5.7520 6.1062 6.1062 6.2140 6.2140 6.2301 6.2301 6.3435 6.3435 6.3962 6.3962 6.5605 6.5605 7.2347 7.2347 7.3158 7.3158 8.5059 8.5059 9.5759 9.5759 k = 0.5000 0.5000 0.2167 ( 5612 PWs) bands (ev): -17.1152 -17.1152 -17.0759 -17.0759 -17.0753 -17.0753 -15.2526 -15.2526 -15.2423 -15.2423 -15.1582 -15.1582 -6.5538 -6.5538 -6.1515 -6.1515 -6.0749 -6.0749 -5.8468 -5.8468 -5.7881 -5.7881 -3.8001 -3.8001 -3.7108 -3.7108 -3.6770 -3.6770 -3.1045 -3.1045 -3.0865 -3.0865 -2.8434 -2.8434 -2.7556 -2.7556 -2.3150 -2.3150 -2.1958 -2.1958 -2.1535 -2.1535 -1.9301 -1.9301 -1.8948 -1.8948 -0.7727 -0.7727 -0.5523 -0.5523 -0.5333 -0.5333 -0.2875 -0.2875 0.1856 0.1856 0.2965 0.2965 1.7817 1.7817 1.8966 1.8966 2.0456 2.0456 2.0733 2.0733 2.2878 2.2878 3.7715 3.7715 5.7643 5.7643 6.1196 6.1196 6.2188 6.2188 6.2352 6.2352 6.3367 6.3367 6.3904 6.3904 6.6204 6.6204 7.2494 7.2494 7.3270 7.3270 8.5136 8.5136 9.5808 9.5808 k = 0.5000 0.5000 0.2333 ( 5620 PWs) bands (ev): -17.1116 -17.1116 -17.0756 -17.0756 -17.0749 -17.0749 -15.2523 -15.2523 -15.2429 -15.2429 -15.1660 -15.1660 -6.5194 -6.5194 -6.1509 -6.1509 -6.0782 -6.0782 -5.8416 -5.8416 -5.7860 -5.7860 -3.7921 -3.7921 -3.7091 -3.7091 -3.6756 -3.6756 -3.1088 -3.1088 -3.0910 -3.0910 -2.8436 -2.8436 -2.7611 -2.7611 -2.3822 -2.3822 -2.1958 -2.1958 -2.1543 -2.1543 -1.9640 -1.9640 -1.9010 -1.9010 -0.7694 -0.7694 -0.5412 -0.5412 -0.5245 -0.5245 -0.2280 -0.2280 0.1283 0.1283 0.2984 0.2984 1.7824 1.7824 1.9391 1.9391 2.0237 2.0237 2.0511 2.0511 2.2835 2.2835 3.8135 3.8135 5.7768 5.7768 6.1333 6.1333 6.2233 6.2233 6.2393 6.2393 6.3296 6.3296 6.3837 6.3837 6.6838 6.6838 7.2648 7.2648 7.3382 7.3382 8.5220 8.5220 9.5845 9.5845 k = 0.5000 0.5000 0.2500 ( 5628 PWs) bands (ev): -17.1079 -17.1079 -17.0752 -17.0752 -17.0746 -17.0746 -15.2521 -15.2521 -15.2436 -15.2436 -15.1739 -15.1739 -6.4841 -6.4841 -6.1504 -6.1504 -6.0811 -6.0811 -5.8364 -5.8364 -5.7838 -5.7838 -3.7838 -3.7838 -3.7073 -3.7073 -3.6741 -3.6741 -3.1133 -3.1133 -3.0957 -3.0957 -2.8438 -2.8438 -2.7671 -2.7671 -2.4504 -2.4504 -2.1966 -2.1966 -2.1548 -2.1548 -1.9991 -1.9991 -1.9024 -1.9024 -0.7655 -0.7655 -0.5304 -0.5304 -0.5156 -0.5156 -0.1702 -0.1702 0.0728 0.0728 0.3005 0.3005 1.7831 1.7831 1.9786 1.9786 2.0016 2.0016 2.0283 2.0283 2.2792 2.2792 3.8574 3.8574 5.7893 5.7893 6.1471 6.1471 6.2273 6.2273 6.2429 6.2429 6.3225 6.3225 6.3764 6.3764 6.7495 6.7495 7.2805 7.2805 7.3494 7.3494 8.5311 8.5311 9.5867 9.5867 k = 0.5000 0.5000 0.2667 ( 5620 PWs) bands (ev): -17.1042 -17.1042 -17.0748 -17.0748 -17.0742 -17.0742 -15.2519 -15.2519 -15.2442 -15.2442 -15.1818 -15.1818 -6.4482 -6.4482 -6.1500 -6.1500 -6.0836 -6.0836 -5.8311 -5.8311 -5.7815 -5.7815 -3.7754 -3.7754 -3.7056 -3.7056 -3.6725 -3.6725 -3.1179 -3.1179 -3.1005 -3.1005 -2.8440 -2.8440 -2.7734 -2.7734 -2.5188 -2.5188 -2.1986 -2.1986 -2.1552 -2.1552 -2.0314 -2.0314 -1.9026 -1.9026 -0.7611 -0.7611 -0.5202 -0.5202 -0.5066 -0.5066 -0.1143 -0.1143 0.0192 0.0192 0.3026 0.3026 1.7837 1.7837 1.9794 1.9794 2.0053 2.0053 2.0150 2.0150 2.2749 2.2749 3.9026 3.9026 5.8018 5.8018 6.1609 6.1609 6.2310 6.2310 6.2460 6.2460 6.3155 6.3155 6.3683 6.3683 6.8167 6.8167 7.2966 7.2966 7.3604 7.3604 8.5409 8.5409 9.5872 9.5872 k = 0.5000 0.5000 0.2833 ( 5612 PWs) bands (ev): -17.1005 -17.1005 -17.0744 -17.0744 -17.0739 -17.0739 -15.2516 -15.2516 -15.2449 -15.2449 -15.1896 -15.1896 -6.4123 -6.4123 -6.1498 -6.1498 -6.0856 -6.0856 -5.8257 -5.8257 -5.7791 -5.7791 -3.7669 -3.7669 -3.7039 -3.7039 -3.6708 -3.6708 -3.1224 -3.1224 -3.1053 -3.1053 -2.8441 -2.8441 -2.7801 -2.7801 -2.5870 -2.5870 -2.2023 -2.2023 -2.1554 -2.1554 -2.0598 -2.0598 -1.9024 -1.9024 -0.7560 -0.7560 -0.5104 -0.5104 -0.4977 -0.4977 -0.0608 -0.0608 -0.0322 -0.0322 0.3047 0.3047 1.7843 1.7843 1.9575 1.9575 1.9822 1.9822 2.0483 2.0483 2.2707 2.2707 3.9487 3.9487 5.8140 5.8140 6.1746 6.1746 6.2341 6.2341 6.2489 6.2489 6.3088 6.3088 6.3596 6.3596 6.8843 6.8843 7.3128 7.3128 7.3712 7.3712 8.5514 8.5514 9.5860 9.5860 k = 0.5000 0.5000 0.3000 ( 5620 PWs) bands (ev): -17.0969 -17.0969 -17.0740 -17.0740 -17.0735 -17.0735 -15.2514 -15.2514 -15.2455 -15.2455 -15.1972 -15.1972 -6.3768 -6.3768 -6.1497 -6.1497 -6.0871 -6.0871 -5.8202 -5.8202 -5.7767 -5.7767 -3.7584 -3.7584 -3.7022 -3.7022 -3.6688 -3.6688 -3.1268 -3.1268 -3.1102 -3.1102 -2.8443 -2.8443 -2.7871 -2.7871 -2.6543 -2.6543 -2.2082 -2.2082 -2.1553 -2.1553 -2.0836 -2.0836 -1.9020 -1.9020 -0.7503 -0.7503 -0.5012 -0.5012 -0.4890 -0.4890 -0.0817 -0.0817 -0.0095 -0.0095 0.3068 0.3068 1.7849 1.7849 1.9360 1.9360 1.9592 1.9592 2.0785 2.0785 2.2667 2.2667 3.9952 3.9952 5.8258 5.8258 6.1879 6.1879 6.2366 6.2366 6.2518 6.2518 6.3024 6.3024 6.3504 6.3504 6.9515 6.9515 7.3289 7.3289 7.3816 7.3816 8.5623 8.5623 9.5829 9.5829 k = 0.5000 0.5000 0.3167 ( 5628 PWs) bands (ev): -17.0933 -17.0933 -17.0737 -17.0737 -17.0732 -17.0732 -15.2512 -15.2512 -15.2461 -15.2461 -15.2046 -15.2046 -6.3422 -6.3422 -6.1498 -6.1498 -6.0879 -6.0879 -5.8145 -5.8145 -5.7744 -5.7744 -3.7499 -3.7499 -3.7005 -3.7005 -3.6667 -3.6667 -3.1312 -3.1312 -3.1150 -3.1150 -2.8446 -2.8446 -2.7945 -2.7945 -2.7199 -2.7199 -2.2165 -2.2165 -2.1551 -2.1551 -2.1025 -2.1025 -1.9015 -1.9015 -0.7439 -0.7439 -0.4925 -0.4925 -0.4806 -0.4806 -0.1288 -0.1288 0.0389 0.0389 0.3088 0.3088 1.7855 1.7855 1.9152 1.9152 1.9367 1.9367 2.1059 2.1059 2.2628 2.2628 4.0414 4.0414 5.8371 5.8371 6.2007 6.2007 6.2384 6.2384 6.2546 6.2546 6.2965 6.2965 6.3408 6.3408 7.0176 7.0176 7.3446 7.3446 7.3914 7.3914 8.5737 8.5737 9.5782 9.5782 k = 0.5000 0.5000 0.3333 ( 5604 PWs) bands (ev): -17.0899 -17.0899 -17.0734 -17.0734 -17.0729 -17.0729 -15.2510 -15.2510 -15.2467 -15.2467 -15.2117 -15.2117 -6.3091 -6.3091 -6.1501 -6.1501 -6.0881 -6.0881 -5.8086 -5.8086 -5.7721 -5.7721 -3.7416 -3.7416 -3.6990 -3.6990 -3.6645 -3.6645 -3.1353 -3.1353 -3.1198 -3.1198 -2.8449 -2.8449 -2.8033 -2.8033 -2.7816 -2.7816 -2.2271 -2.2271 -2.1546 -2.1546 -2.1165 -2.1165 -1.9008 -1.9008 -0.7367 -0.7367 -0.4843 -0.4843 -0.4727 -0.4727 -0.1734 -0.1734 0.0845 0.0845 0.3108 0.3108 1.7860 1.7860 1.8954 1.8954 1.9148 1.9148 2.1304 2.1304 2.2592 2.2592 4.0867 4.0867 5.8478 5.8478 6.2129 6.2129 6.2394 6.2394 6.2574 6.2574 6.2914 6.2914 6.3310 6.3310 7.0818 7.0818 7.3598 7.3598 7.4008 7.4008 8.5853 8.5853 9.5718 9.5718 k = 0.5000 0.5000 0.3500 ( 5620 PWs) bands (ev): -17.0867 -17.0867 -17.0730 -17.0730 -17.0726 -17.0726 -15.2508 -15.2508 -15.2473 -15.2473 -15.2184 -15.2184 -6.2782 -6.2782 -6.1505 -6.1505 -6.0876 -6.0876 -5.8024 -5.8024 -5.7699 -5.7699 -3.7336 -3.7336 -3.6975 -3.6975 -3.6621 -3.6621 -3.1393 -3.1393 -3.1245 -3.1245 -2.8509 -2.8509 -2.8406 -2.8406 -2.8067 -2.8067 -2.2393 -2.2393 -2.1540 -2.1540 -2.1266 -2.1266 -1.9001 -1.9001 -0.7289 -0.7289 -0.4766 -0.4766 -0.4652 -0.4652 -0.2156 -0.2156 0.1267 0.1267 0.3126 0.3126 1.7865 1.7865 1.8767 1.8767 1.8938 1.8938 2.1521 2.1521 2.2558 2.2558 4.1306 4.1306 5.8578 5.8578 6.2241 6.2241 6.2397 6.2397 6.2598 6.2598 6.2871 6.2871 6.3212 6.3212 7.1431 7.1431 7.3743 7.3743 7.4095 7.4095 8.5971 8.5971 9.5642 9.5642 k = 0.5000 0.5000 0.3667 ( 5604 PWs) bands (ev): -17.0837 -17.0837 -17.0727 -17.0727 -17.0723 -17.0723 -15.2507 -15.2507 -15.2478 -15.2478 -15.2246 -15.2246 -6.2499 -6.2499 -6.1511 -6.1511 -6.0861 -6.0861 -5.7961 -5.7961 -5.7678 -5.7678 -3.7258 -3.7258 -3.6962 -3.6962 -3.6596 -3.6596 -3.1429 -3.1429 -3.1289 -3.1289 -2.9040 -2.9040 -2.8444 -2.8444 -2.8142 -2.8142 -2.2519 -2.2519 -2.1532 -2.1532 -2.1336 -2.1336 -1.8993 -1.8993 -0.7203 -0.7203 -0.4696 -0.4696 -0.4584 -0.4584 -0.2551 -0.2551 0.1655 0.1655 0.3144 0.3144 1.7869 1.7869 1.8593 1.8593 1.8740 1.8740 2.1713 2.1713 2.2526 2.2526 4.1724 4.1724 5.8669 5.8669 6.2334 6.2334 6.2401 6.2401 6.2617 6.2617 6.2842 6.2842 6.3118 6.3118 7.2009 7.2009 7.3878 7.3878 7.4177 7.4177 8.6087 8.6087 9.5557 9.5557 k = 0.5000 0.5000 0.3833 ( 5612 PWs) bands (ev): -17.0810 -17.0810 -17.0725 -17.0725 -17.0720 -17.0720 -15.2505 -15.2505 -15.2482 -15.2482 -15.2302 -15.2302 -6.2251 -6.2251 -6.1517 -6.1517 -6.0838 -6.0838 -5.7896 -5.7896 -5.7659 -5.7659 -3.7186 -3.7186 -3.6950 -3.6950 -3.6570 -3.6570 -3.1463 -3.1463 -3.1331 -3.1331 -2.9569 -2.9569 -2.8448 -2.8448 -2.8210 -2.8210 -2.2642 -2.2642 -2.1524 -2.1524 -2.1386 -2.1386 -1.8986 -1.8986 -0.7112 -0.7112 -0.4632 -0.4632 -0.4522 -0.4522 -0.2917 -0.2917 0.2006 0.2006 0.3160 0.3160 1.7873 1.7873 1.8435 1.8435 1.8556 1.8556 2.1879 2.1879 2.2498 2.2498 4.2113 4.2113 5.8752 5.8752 6.2356 6.2356 6.2458 6.2458 6.2629 6.2629 6.2826 6.2826 6.3029 6.3029 7.2541 7.2541 7.4001 7.4001 7.4251 7.4251 8.6200 8.6200 9.5466 9.5466 k = 0.5000 0.5000 0.4000 ( 5612 PWs) bands (ev): -17.0785 -17.0785 -17.0722 -17.0722 -17.0718 -17.0718 -15.2504 -15.2504 -15.2486 -15.2486 -15.2353 -15.2353 -6.2040 -6.2040 -6.1523 -6.1523 -6.0806 -6.0806 -5.7832 -5.7832 -5.7642 -5.7642 -3.7119 -3.7119 -3.6939 -3.6939 -3.6544 -3.6544 -3.1494 -3.1494 -3.1369 -3.1369 -3.0051 -3.0051 -2.8450 -2.8450 -2.8270 -2.8270 -2.2755 -2.2755 -2.1517 -2.1517 -2.1421 -2.1421 -1.8979 -1.8979 -0.7016 -0.7016 -0.4575 -0.4575 -0.4468 -0.4468 -0.3254 -0.3254 0.2317 0.2317 0.3174 0.3174 1.7876 1.7876 1.8294 1.8294 1.8390 1.8390 2.2020 2.2020 2.2473 2.2473 4.2467 4.2467 5.8825 5.8825 6.2337 6.2337 6.2533 6.2533 6.2633 6.2633 6.2822 6.2822 6.2951 6.2951 7.3021 7.3021 7.4111 7.4111 7.4318 7.4318 8.6306 8.6306 9.5374 9.5374 k = 0.5000 0.5000 0.4167 ( 5612 PWs) bands (ev): -17.0764 -17.0764 -17.0720 -17.0720 -17.0716 -17.0716 -15.2503 -15.2503 -15.2490 -15.2490 -15.2396 -15.2396 -6.1871 -6.1871 -6.1529 -6.1529 -6.0765 -6.0765 -5.7769 -5.7769 -5.7627 -5.7627 -3.7059 -3.7059 -3.6930 -3.6930 -3.6518 -3.6518 -3.1521 -3.1521 -3.1402 -3.1402 -3.0477 -3.0477 -2.8451 -2.8451 -2.8324 -2.8324 -2.2853 -2.2853 -2.1510 -2.1510 -2.1446 -2.1446 -1.8972 -1.8972 -0.6917 -0.6917 -0.4526 -0.4526 -0.4423 -0.4423 -0.3556 -0.3556 0.2585 0.2585 0.3187 0.3187 1.7879 1.7879 1.8171 1.8171 1.8245 1.8245 2.2138 2.2138 2.2451 2.2451 4.2780 4.2780 5.8887 5.8887 6.2309 6.2309 6.2595 6.2595 6.2633 6.2633 6.2828 6.2828 6.2890 6.2890 7.3440 7.3440 7.4206 7.4206 7.4379 7.4379 8.6403 8.6403 9.5286 9.5286 k = 0.5000 0.5000 0.4333 ( 5584 PWs) bands (ev): -17.0746 -17.0746 -17.0719 -17.0719 -17.0714 -17.0714 -15.2502 -15.2502 -15.2492 -15.2492 -15.2432 -15.2432 -6.1742 -6.1742 -6.1534 -6.1534 -6.0719 -6.0719 -5.7712 -5.7712 -5.7614 -5.7614 -3.7007 -3.7007 -3.6922 -3.6922 -3.6495 -3.6495 -3.1544 -3.1544 -3.1431 -3.1431 -3.0838 -3.0838 -2.8452 -2.8452 -2.8368 -2.8368 -2.2935 -2.2935 -2.1503 -2.1503 -2.1462 -2.1462 -1.8966 -1.8966 -0.6819 -0.6819 -0.4485 -0.4485 -0.4386 -0.4386 -0.3819 -0.3819 0.2810 0.2810 0.3197 0.3197 1.7880 1.7880 1.8069 1.8069 1.8122 1.8122 2.2234 2.2234 2.2434 2.2434 4.3046 4.3046 5.8939 5.8939 6.2279 6.2279 6.2632 6.2632 6.2634 6.2634 6.2837 6.2837 6.2852 6.2852 7.3791 7.3791 7.4287 7.4287 7.4432 7.4432 8.6488 8.6488 9.5206 9.5206 k = 0.5000 0.5000 0.4500 ( 5584 PWs) bands (ev): -17.0733 -17.0733 -17.0717 -17.0717 -17.0713 -17.0713 -15.2502 -15.2502 -15.2494 -15.2494 -15.2461 -15.2461 -6.1650 -6.1650 -6.1539 -6.1539 -6.0673 -6.0673 -5.7662 -5.7662 -5.7604 -5.7604 -3.6965 -3.6965 -3.6916 -3.6916 -3.6474 -3.6474 -3.1565 -3.1565 -3.1454 -3.1454 -3.1127 -3.1127 -2.8453 -2.8453 -2.8405 -2.8405 -2.3000 -2.3000 -2.1498 -2.1498 -2.1475 -2.1475 -1.8961 -1.8961 -0.6729 -0.6729 -0.4453 -0.4453 -0.4362 -0.4362 -0.4035 -0.4035 0.2986 0.2986 0.3206 0.3206 1.7880 1.7880 1.7988 1.7988 1.8025 1.8025 2.2308 2.2308 2.2420 2.2420 4.3258 4.3258 5.8980 5.8980 6.2249 6.2249 6.2630 6.2630 6.2646 6.2646 6.2841 6.2841 6.2848 6.2848 7.4059 7.4059 7.4360 7.4360 7.4476 7.4476 8.6557 8.6557 9.5139 9.5139 k = 0.5000 0.5000 0.4667 ( 5600 PWs) bands (ev): -17.0723 -17.0723 -17.0715 -17.0715 -17.0712 -17.0712 -15.2503 -15.2503 -15.2495 -15.2495 -15.2481 -15.2481 -6.1590 -6.1590 -6.1542 -6.1542 -6.0635 -6.0635 -5.7624 -5.7624 -5.7597 -5.7597 -3.6934 -3.6934 -3.6911 -3.6911 -3.6458 -3.6458 -3.1585 -3.1585 -3.1471 -3.1471 -3.1334 -3.1334 -2.8455 -2.8455 -2.8433 -2.8433 -2.3046 -2.3046 -2.1495 -2.1495 -2.1485 -2.1485 -1.8958 -1.8958 -0.6653 -0.6653 -0.4430 -0.4430 -0.4359 -0.4359 -0.4185 -0.4185 0.3114 0.3114 0.3211 0.3211 1.7877 1.7877 1.7932 1.7932 1.7955 1.7955 2.2360 2.2360 2.2410 2.2410 4.3414 4.3414 5.9009 5.9009 6.2225 6.2225 6.2629 6.2629 6.2640 6.2640 6.2848 6.2848 6.2855 6.2855 7.4229 7.4229 7.4435 7.4435 7.4510 7.4510 8.6608 8.6608 9.5088 9.5088 k = 0.5000 0.5000 0.4833 ( 5616 PWs) bands (ev): -17.0719 -17.0719 -17.0712 -17.0712 -17.0711 -17.0711 -15.2504 -15.2504 -15.2496 -15.2496 -15.2493 -15.2493 -6.1556 -6.1556 -6.1545 -6.1545 -6.0610 -6.0610 -5.7599 -5.7599 -5.7592 -5.7592 -3.6914 -3.6914 -3.6909 -3.6909 -3.6448 -3.6448 -3.1607 -3.1607 -3.1481 -3.1481 -3.1450 -3.1450 -2.8455 -2.8455 -2.8450 -2.8450 -2.3074 -2.3074 -2.1493 -2.1493 -2.1491 -2.1491 -1.8957 -1.8957 -0.6602 -0.6602 -0.4416 -0.4416 -0.4389 -0.4389 -0.4249 -0.4249 0.3190 0.3190 0.3215 0.3215 1.7865 1.7865 1.7906 1.7906 1.7914 1.7914 2.2391 2.2391 2.2403 2.2403 4.3508 4.3508 5.9027 5.9027 6.2209 6.2209 6.2628 6.2628 6.2631 6.2631 6.2858 6.2858 6.2860 6.2860 7.4304 7.4304 7.4508 7.4508 7.4531 7.4531 8.6639 8.6639 9.5057 9.5057 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -17.0718 -17.0718 -17.0711 -17.0711 -17.0711 -17.0711 -15.2505 -15.2505 -15.2496 -15.2496 -15.2496 -15.2496 -6.1545 -6.1545 -6.1545 -6.1545 -6.0601 -6.0601 -5.7591 -5.7591 -5.7591 -5.7591 -3.6908 -3.6908 -3.6908 -3.6908 -3.6444 -3.6444 -3.1620 -3.1620 -3.1484 -3.1484 -3.1484 -3.1484 -2.8456 -2.8456 -2.8456 -2.8456 -2.3083 -2.3083 -2.1492 -2.1492 -2.1492 -2.1492 -1.8956 -1.8956 -0.6584 -0.6584 -0.4411 -0.4411 -0.4411 -0.4411 -0.4260 -0.4260 0.3216 0.3216 0.3216 0.3216 1.7858 1.7858 1.7901 1.7901 1.7901 1.7901 2.2401 2.2401 2.2401 2.2401 4.3540 4.3540 5.9033 5.9033 6.2203 6.2203 6.2628 6.2628 6.2628 6.2628 6.2862 6.2862 6.2862 6.2862 7.4324 7.4324 7.4538 7.4538 7.4538 7.4538 8.6650 8.6650 9.5046 9.5046 Writing output data file TlCdxNO2x3.save init_run : 0.71s CPU 1.07s WALL ( 1 calls) electrons : 242.62s CPU 246.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.05s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 242.61s CPU 246.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.09s WALL ( 231 calls) cegterg : 223.85s CPU 226.30s WALL ( 231 calls) Called by sum_band: Called by *egterg: h_psi : 119.35s CPU 120.80s WALL ( 4127 calls) s_psi : 7.42s CPU 7.50s WALL ( 4127 calls) g_psi : 0.36s CPU 0.34s WALL ( 3665 calls) cdiaghg : 81.48s CPU 82.48s WALL ( 3896 calls) cegterg:over : 12.66s CPU 12.69s WALL ( 3665 calls) cegterg:upda : 9.74s CPU 9.95s WALL ( 3665 calls) cegterg:last : 5.49s CPU 5.55s WALL ( 693 calls) cdiaghg:chol : 4.80s CPU 4.97s WALL ( 3896 calls) cdiaghg:inve : 3.64s CPU 3.70s WALL ( 3896 calls) cdiaghg:para : 6.97s CPU 6.87s WALL ( 7792 calls) Called by h_psi: h_psi:vloc : 101.69s CPU 103.13s WALL ( 4127 calls) h_psi:vnl : 17.31s CPU 17.29s WALL ( 4127 calls) add_vuspsi : 8.66s CPU 8.58s WALL ( 4127 calls) General routines calbec : 8.63s CPU 8.70s WALL ( 4127 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.13s CPU 91.49s WALL ( 862876 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.40s WALL ( 462 calls) Parallel routines fft_scatter : 30.54s CPU 31.01s WALL ( 862899 calls) PWSCF : 4m26.01s CPU 4m49.42s WALL This run was terminated on: 16:58:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=