Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:39:23 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: ./CsHgxNO2x3.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 98 75 21 4405 2964 439 Max 99 76 22 4407 2984 443 Sum 3545 2733 761 158619 107111 15895 bravais-lattice index = 14 lattice parameter (alat) = 10.3462 a.u. unit-cell volume = 1107.5131 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.346250 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 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 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. # 3 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 PseudoPot. # 4 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Cs 9.00 132.90550 Cs( 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= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 158619 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 107111 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.03 Mb ( 786, 86) NL pseudopotentials 1.33 Mb ( 393, 222) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4406) G-vector shells 0.01 Mb ( 753) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.13 Mb ( 786, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.58 Mb ( 222, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsHgxNO2x3.save/charge-density.dat Starting wfc are 100 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 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.9 secs Computing kpt #: 6 total cpu time spent up to now is 13.6 secs Computing kpt #: 7 total cpu time spent up to now is 15.4 secs Computing kpt #: 8 total cpu time spent up to now is 17.3 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 20.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.8 secs Computing kpt #: 12 total cpu time spent up to now is 24.7 secs Computing kpt #: 13 total cpu time spent up to now is 26.6 secs Computing kpt #: 14 total cpu time spent up to now is 28.4 secs Computing kpt #: 15 total cpu time spent up to now is 30.3 secs Computing kpt #: 16 total cpu time spent up to now is 32.2 secs Computing kpt #: 17 total cpu time spent up to now is 34.1 secs Computing kpt #: 18 total cpu time spent up to now is 36.0 secs Computing kpt #: 19 total cpu time spent up to now is 37.9 secs Computing kpt #: 20 total cpu time spent up to now is 39.7 secs Computing kpt #: 21 total cpu time spent up to now is 41.6 secs Computing kpt #: 22 total cpu time spent up to now is 43.5 secs Computing kpt #: 23 total cpu time spent up to now is 45.4 secs Computing kpt #: 24 total cpu time spent up to now is 47.2 secs Computing kpt #: 25 total cpu time spent up to now is 49.1 secs Computing kpt #: 26 total cpu time spent up to now is 51.0 secs Computing kpt #: 27 total cpu time spent up to now is 52.8 secs Computing kpt #: 28 total cpu time spent up to now is 54.7 secs Computing kpt #: 29 total cpu time spent up to now is 56.5 secs Computing kpt #: 30 total cpu time spent up to now is 58.3 secs Computing kpt #: 31 total cpu time spent up to now is 60.2 secs Computing kpt #: 32 total cpu time spent up to now is 62.0 secs Computing kpt #: 33 total cpu time spent up to now is 63.8 secs Computing kpt #: 34 total cpu time spent up to now is 65.7 secs Computing kpt #: 35 total cpu time spent up to now is 67.5 secs Computing kpt #: 36 total cpu time spent up to now is 69.4 secs Computing kpt #: 37 total cpu time spent up to now is 71.3 secs Computing kpt #: 38 total cpu time spent up to now is 73.2 secs Computing kpt #: 39 total cpu time spent up to now is 75.0 secs Computing kpt #: 40 total cpu time spent up to now is 76.9 secs Computing kpt #: 41 total cpu time spent up to now is 78.8 secs Computing kpt #: 42 total cpu time spent up to now is 80.7 secs Computing kpt #: 43 total cpu time spent up to now is 82.6 secs Computing kpt #: 44 total cpu time spent up to now is 84.5 secs Computing kpt #: 45 total cpu time spent up to now is 86.4 secs Computing kpt #: 46 total cpu time spent up to now is 88.3 secs Computing kpt #: 47 total cpu time spent up to now is 90.2 secs Computing kpt #: 48 total cpu time spent up to now is 92.1 secs Computing kpt #: 49 total cpu time spent up to now is 94.0 secs Computing kpt #: 50 total cpu time spent up to now is 95.8 secs Computing kpt #: 51 total cpu time spent up to now is 97.7 secs Computing kpt #: 52 total cpu time spent up to now is 99.6 secs Computing kpt #: 53 total cpu time spent up to now is 101.5 secs Computing kpt #: 54 total cpu time spent up to now is 103.3 secs Computing kpt #: 55 total cpu time spent up to now is 105.2 secs Computing kpt #: 56 total cpu time spent up to now is 107.1 secs Computing kpt #: 57 total cpu time spent up to now is 108.9 secs Computing kpt #: 58 total cpu time spent up to now is 110.8 secs Computing kpt #: 59 total cpu time spent up to now is 112.6 secs Computing kpt #: 60 total cpu time spent up to now is 114.4 secs Computing kpt #: 61 total cpu time spent up to now is 116.2 secs Computing kpt #: 62 total cpu time spent up to now is 118.0 secs Computing kpt #: 63 total cpu time spent up to now is 119.9 secs Computing kpt #: 64 total cpu time spent up to now is 121.7 secs Computing kpt #: 65 total cpu time spent up to now is 123.6 secs Computing kpt #: 66 total cpu time spent up to now is 125.4 secs Computing kpt #: 67 total cpu time spent up to now is 127.3 secs Computing kpt #: 68 total cpu time spent up to now is 129.2 secs Computing kpt #: 69 total cpu time spent up to now is 131.1 secs Computing kpt #: 70 total cpu time spent up to now is 133.0 secs Computing kpt #: 71 total cpu time spent up to now is 134.9 secs Computing kpt #: 72 total cpu time spent up to now is 136.8 secs Computing kpt #: 73 total cpu time spent up to now is 138.7 secs Computing kpt #: 74 total cpu time spent up to now is 140.6 secs Computing kpt #: 75 total cpu time spent up to now is 142.5 secs Computing kpt #: 76 total cpu time spent up to now is 144.4 secs Computing kpt #: 77 total cpu time spent up to now is 146.4 secs Computing kpt #: 78 total cpu time spent up to now is 148.3 secs Computing kpt #: 79 total cpu time spent up to now is 150.2 secs Computing kpt #: 80 total cpu time spent up to now is 152.1 secs Computing kpt #: 81 total cpu time spent up to now is 154.1 secs Computing kpt #: 82 total cpu time spent up to now is 156.0 secs Computing kpt #: 83 total cpu time spent up to now is 158.2 secs Computing kpt #: 84 total cpu time spent up to now is 160.3 secs Computing kpt #: 85 total cpu time spent up to now is 162.2 secs Computing kpt #: 86 total cpu time spent up to now is 164.1 secs Computing kpt #: 87 total cpu time spent up to now is 166.0 secs Computing kpt #: 88 total cpu time spent up to now is 167.8 secs Computing kpt #: 89 total cpu time spent up to now is 169.7 secs Computing kpt #: 90 total cpu time spent up to now is 171.6 secs Computing kpt #: 91 total cpu time spent up to now is 173.5 secs Computing kpt #: 92 total cpu time spent up to now is 175.3 secs Computing kpt #: 93 total cpu time spent up to now is 177.2 secs Computing kpt #: 94 total cpu time spent up to now is 179.0 secs Computing kpt #: 95 total cpu time spent up to now is 180.8 secs Computing kpt #: 96 total cpu time spent up to now is 182.6 secs Computing kpt #: 97 total cpu time spent up to now is 184.4 secs Computing kpt #: 98 total cpu time spent up to now is 186.2 secs Computing kpt #: 99 total cpu time spent up to now is 187.9 secs Computing kpt #: 100 total cpu time spent up to now is 189.7 secs Computing kpt #: 101 total cpu time spent up to now is 191.4 secs Computing kpt #: 102 total cpu time spent up to now is 193.1 secs Computing kpt #: 103 total cpu time spent up to now is 194.9 secs Computing kpt #: 104 total cpu time spent up to now is 196.6 secs Computing kpt #: 105 total cpu time spent up to now is 198.4 secs Computing kpt #: 106 total cpu time spent up to now is 200.1 secs Computing kpt #: 107 total cpu time spent up to now is 201.9 secs Computing kpt #: 108 total cpu time spent up to now is 203.7 secs Computing kpt #: 109 total cpu time spent up to now is 205.5 secs Computing kpt #: 110 total cpu time spent up to now is 207.3 secs Computing kpt #: 111 total cpu time spent up to now is 209.1 secs Computing kpt #: 112 total cpu time spent up to now is 211.0 secs Computing kpt #: 113 total cpu time spent up to now is 212.8 secs Computing kpt #: 114 total cpu time spent up to now is 214.7 secs Computing kpt #: 115 total cpu time spent up to now is 216.5 secs Computing kpt #: 116 total cpu time spent up to now is 218.5 secs Computing kpt #: 117 total cpu time spent up to now is 220.4 secs Computing kpt #: 118 total cpu time spent up to now is 222.3 secs Computing kpt #: 119 total cpu time spent up to now is 224.2 secs Computing kpt #: 120 total cpu time spent up to now is 226.1 secs Computing kpt #: 121 total cpu time spent up to now is 228.0 secs Computing kpt #: 122 total cpu time spent up to now is 229.9 secs Computing kpt #: 123 total cpu time spent up to now is 231.8 secs Computing kpt #: 124 total cpu time spent up to now is 233.7 secs Computing kpt #: 125 total cpu time spent up to now is 235.7 secs Computing kpt #: 126 total cpu time spent up to now is 237.6 secs Computing kpt #: 127 total cpu time spent up to now is 239.5 secs Computing kpt #: 128 total cpu time spent up to now is 241.4 secs Computing kpt #: 129 total cpu time spent up to now is 243.4 secs Computing kpt #: 130 total cpu time spent up to now is 245.3 secs Computing kpt #: 131 total cpu time spent up to now is 247.3 secs Computing kpt #: 132 total cpu time spent up to now is 249.2 secs Computing kpt #: 133 total cpu time spent up to now is 251.2 secs Computing kpt #: 134 total cpu time spent up to now is 253.1 secs Computing kpt #: 135 total cpu time spent up to now is 255.0 secs Computing kpt #: 136 total cpu time spent up to now is 257.0 secs Computing kpt #: 137 total cpu time spent up to now is 258.9 secs Computing kpt #: 138 total cpu time spent up to now is 260.8 secs Computing kpt #: 139 total cpu time spent up to now is 262.8 secs Computing kpt #: 140 total cpu time spent up to now is 264.7 secs Computing kpt #: 141 total cpu time spent up to now is 266.6 secs Computing kpt #: 142 total cpu time spent up to now is 268.5 secs Computing kpt #: 143 total cpu time spent up to now is 270.4 secs Computing kpt #: 144 total cpu time spent up to now is 272.3 secs Computing kpt #: 145 total cpu time spent up to now is 274.2 secs Computing kpt #: 146 total cpu time spent up to now is 276.1 secs Computing kpt #: 147 total cpu time spent up to now is 278.0 secs Computing kpt #: 148 total cpu time spent up to now is 279.8 secs Computing kpt #: 149 total cpu time spent up to now is 281.6 secs Computing kpt #: 150 total cpu time spent up to now is 283.4 secs Computing kpt #: 151 total cpu time spent up to now is 285.2 secs Computing kpt #: 152 total cpu time spent up to now is 287.0 secs Computing kpt #: 153 total cpu time spent up to now is 288.8 secs Computing kpt #: 154 total cpu time spent up to now is 290.6 secs Computing kpt #: 155 total cpu time spent up to now is 292.5 secs Computing kpt #: 156 total cpu time spent up to now is 294.3 secs Computing kpt #: 157 total cpu time spent up to now is 296.1 secs Computing kpt #: 158 total cpu time spent up to now is 298.0 secs Computing kpt #: 159 total cpu time spent up to now is 299.9 secs Computing kpt #: 160 total cpu time spent up to now is 301.7 secs Computing kpt #: 161 total cpu time spent up to now is 303.6 secs Computing kpt #: 162 total cpu time spent up to now is 305.5 secs Computing kpt #: 163 total cpu time spent up to now is 307.4 secs Computing kpt #: 164 total cpu time spent up to now is 309.3 secs Computing kpt #: 165 total cpu time spent up to now is 311.2 secs Computing kpt #: 166 total cpu time spent up to now is 313.1 secs Computing kpt #: 167 total cpu time spent up to now is 315.1 secs Computing kpt #: 168 total cpu time spent up to now is 317.0 secs Computing kpt #: 169 total cpu time spent up to now is 318.9 secs Computing kpt #: 170 total cpu time spent up to now is 320.8 secs Computing kpt #: 171 total cpu time spent up to now is 322.7 secs Computing kpt #: 172 total cpu time spent up to now is 324.7 secs Computing kpt #: 173 total cpu time spent up to now is 326.7 secs Computing kpt #: 174 total cpu time spent up to now is 328.6 secs Computing kpt #: 175 total cpu time spent up to now is 330.5 secs Computing kpt #: 176 total cpu time spent up to now is 332.4 secs Computing kpt #: 177 total cpu time spent up to now is 334.4 secs Computing kpt #: 178 total cpu time spent up to now is 336.4 secs Computing kpt #: 179 total cpu time spent up to now is 338.3 secs Computing kpt #: 180 total cpu time spent up to now is 340.2 secs Computing kpt #: 181 total cpu time spent up to now is 342.2 secs Computing kpt #: 182 total cpu time spent up to now is 344.1 secs Computing kpt #: 183 total cpu time spent up to now is 346.0 secs Computing kpt #: 184 total cpu time spent up to now is 347.9 secs Computing kpt #: 185 total cpu time spent up to now is 349.9 secs Computing kpt #: 186 total cpu time spent up to now is 351.8 secs Computing kpt #: 187 total cpu time spent up to now is 353.7 secs Computing kpt #: 188 total cpu time spent up to now is 355.6 secs Computing kpt #: 189 total cpu time spent up to now is 357.4 secs Computing kpt #: 190 total cpu time spent up to now is 359.3 secs Computing kpt #: 191 total cpu time spent up to now is 361.2 secs Computing kpt #: 192 total cpu time spent up to now is 363.0 secs Computing kpt #: 193 total cpu time spent up to now is 364.9 secs Computing kpt #: 194 total cpu time spent up to now is 366.7 secs Computing kpt #: 195 total cpu time spent up to now is 368.5 secs Computing kpt #: 196 total cpu time spent up to now is 370.3 secs Computing kpt #: 197 total cpu time spent up to now is 372.1 secs Computing kpt #: 198 total cpu time spent up to now is 373.9 secs Computing kpt #: 199 total cpu time spent up to now is 375.7 secs Computing kpt #: 200 total cpu time spent up to now is 377.5 secs Computing kpt #: 201 total cpu time spent up to now is 379.4 secs Computing kpt #: 202 total cpu time spent up to now is 381.2 secs Computing kpt #: 203 total cpu time spent up to now is 383.1 secs Computing kpt #: 204 total cpu time spent up to now is 384.9 secs Computing kpt #: 205 total cpu time spent up to now is 386.8 secs Computing kpt #: 206 total cpu time spent up to now is 388.7 secs Computing kpt #: 207 total cpu time spent up to now is 390.6 secs Computing kpt #: 208 total cpu time spent up to now is 392.4 secs Computing kpt #: 209 total cpu time spent up to now is 394.3 secs Computing kpt #: 210 total cpu time spent up to now is 396.3 secs Computing kpt #: 211 total cpu time spent up to now is 398.2 secs Computing kpt #: 212 total cpu time spent up to now is 400.0 secs Computing kpt #: 213 total cpu time spent up to now is 401.9 secs Computing kpt #: 214 total cpu time spent up to now is 403.8 secs Computing kpt #: 215 total cpu time spent up to now is 405.7 secs Computing kpt #: 216 total cpu time spent up to now is 407.6 secs Computing kpt #: 217 total cpu time spent up to now is 409.5 secs Computing kpt #: 218 total cpu time spent up to now is 411.3 secs Computing kpt #: 219 total cpu time spent up to now is 413.2 secs Computing kpt #: 220 total cpu time spent up to now is 415.0 secs Computing kpt #: 221 total cpu time spent up to now is 416.9 secs Computing kpt #: 222 total cpu time spent up to now is 418.7 secs Computing kpt #: 223 total cpu time spent up to now is 420.5 secs Computing kpt #: 224 total cpu time spent up to now is 422.3 secs Computing kpt #: 225 total cpu time spent up to now is 424.1 secs ethr = 1.39E-08, avg # of iterations = 15.5 total cpu time spent up to now is 424.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13301 PWs) bands (ev): -17.1740 -17.1740 -16.8907 -16.8907 -16.8907 -16.8907 -15.0466 -15.0466 -15.0461 -15.0461 -15.0461 -15.0461 -13.3973 -13.3973 -7.3486 -7.3486 -7.3486 -7.3486 -6.9857 -6.9857 -2.8254 -2.8254 -2.2985 -2.2985 -2.2985 -2.2985 -2.0487 -2.0487 -1.8489 -1.8489 -1.8489 -1.8489 -1.2717 -1.2717 -1.2717 -1.2717 -1.1501 -1.1501 -0.8186 -0.8186 -0.8186 -0.8186 -0.0933 -0.0933 0.3048 0.3048 0.3654 0.3654 0.3654 0.3654 0.5019 0.5019 0.5019 0.5019 1.7047 1.7047 1.7047 1.7047 1.7288 1.7288 2.2070 2.2070 2.2070 2.2070 2.3123 2.3123 3.0588 3.0588 5.1692 5.1692 5.2270 5.2270 5.2270 5.2270 5.5618 5.5618 5.5618 5.5618 5.8293 5.8293 5.8691 5.8691 5.9392 5.9392 5.9392 5.9392 k = 0.0000 0.0172-0.0000 ( 13349 PWs) bands (ev): -17.1737 -17.1737 -16.8908 -16.8908 -16.8906 -16.8906 -15.0469 -15.0469 -15.0463 -15.0463 -15.0461 -15.0461 -13.3972 -13.3972 -7.3485 -7.3485 -7.3476 -7.3476 -6.9856 -6.9856 -2.8248 -2.8248 -2.2992 -2.2992 -2.2982 -2.2982 -2.0496 -2.0496 -1.8493 -1.8493 -1.8488 -1.8488 -1.2751 -1.2751 -1.2717 -1.2717 -1.1487 -1.1487 -0.8192 -0.8192 -0.8182 -0.8182 -0.0953 -0.0953 0.3047 0.3047 0.3619 0.3619 0.3650 0.3650 0.5021 0.5021 0.5047 0.5047 1.7052 1.7052 1.7063 1.7063 1.7302 1.7302 2.2066 2.2066 2.2068 2.2068 2.3119 2.3119 3.0619 3.0619 5.1693 5.1693 5.2264 5.2264 5.2275 5.2275 5.5610 5.5610 5.5648 5.5648 5.8300 5.8300 5.8698 5.8698 5.9389 5.9389 5.9393 5.9393 k = 0.0000 0.0345-0.0000 ( 13341 PWs) bands (ev): -17.1730 -17.1730 -16.8913 -16.8913 -16.8903 -16.8903 -15.0483 -15.0483 -15.0464 -15.0464 -15.0461 -15.0461 -13.3970 -13.3970 -7.3484 -7.3484 -7.3446 -7.3446 -6.9854 -6.9854 -2.8232 -2.8232 -2.3014 -2.3014 -2.2974 -2.2974 -2.0524 -2.0524 -1.8503 -1.8503 -1.8482 -1.8482 -1.2847 -1.2847 -1.2715 -1.2715 -1.1449 -1.1449 -0.8207 -0.8207 -0.8168 -0.8168 -0.1010 -0.1010 0.3041 0.3041 0.3520 0.3520 0.3641 0.3641 0.5027 0.5027 0.5126 0.5126 1.7067 1.7067 1.7110 1.7110 1.7351 1.7351 2.2053 2.2053 2.2062 2.2062 2.3107 2.3107 3.0711 3.0711 5.1696 5.1696 5.2250 5.2250 5.2292 5.2292 5.5587 5.5587 5.5736 5.5736 5.8322 5.8322 5.8718 5.8718 5.9378 5.9378 5.9397 5.9397 k = 0.0000 0.0517-0.0000 ( 13349 PWs) bands (ev): -17.1717 -17.1717 -16.8920 -16.8920 -16.8897 -16.8897 -15.0507 -15.0507 -15.0464 -15.0464 -15.0461 -15.0461 -13.3966 -13.3966 -7.3483 -7.3483 -7.3397 -7.3397 -6.9850 -6.9850 -2.8206 -2.8206 -2.3055 -2.3055 -2.2960 -2.2960 -2.0569 -2.0569 -1.8519 -1.8519 -1.8472 -1.8472 -1.2994 -1.2994 -1.2714 -1.2714 -1.1398 -1.1398 -0.8233 -0.8233 -0.8146 -0.8146 -0.1103 -0.1103 0.3022 0.3022 0.3368 0.3368 0.3633 0.3633 0.5036 0.5036 0.5244 0.5244 1.7084 1.7084 1.7180 1.7180 1.7446 1.7446 2.2033 2.2033 2.2052 2.2052 2.3087 2.3087 3.0864 3.0864 5.1699 5.1699 5.2229 5.2229 5.2321 5.2321 5.5546 5.5546 5.5880 5.5880 5.8355 5.8355 5.8755 5.8755 5.9360 5.9360 5.9405 5.9405 k = 0.0000 0.0690-0.0000 ( 13357 PWs) bands (ev): -17.1699 -17.1699 -16.8930 -16.8930 -16.8889 -16.8889 -15.0541 -15.0541 -15.0464 -15.0464 -15.0461 -15.0461 -13.3960 -13.3960 -7.3480 -7.3480 -7.3331 -7.3331 -6.9843 -6.9843 -2.8170 -2.8170 -2.3120 -2.3120 -2.2941 -2.2941 -2.0626 -2.0626 -1.8536 -1.8536 -1.8456 -1.8456 -1.3178 -1.3178 -1.2711 -1.2711 -1.1345 -1.1345 -0.8269 -0.8269 -0.8116 -0.8116 -0.1226 -0.1226 0.2977 0.2977 0.3178 0.3178 0.3635 0.3635 0.5049 0.5049 0.5392 0.5392 1.7098 1.7098 1.7268 1.7268 1.7591 1.7591 2.2005 2.2005 2.2039 2.2039 2.3061 2.3061 3.1075 3.1075 5.1699 5.1699 5.2208 5.2208 5.2363 5.2363 5.5486 5.5486 5.6075 5.6075 5.8392 5.8392 5.8809 5.8809 5.9336 5.9336 5.9426 5.9426 k = 0.0000 0.0862-0.0000 ( 13373 PWs) bands (ev): -17.1676 -17.1676 -16.8944 -16.8944 -16.8880 -16.8880 -15.0583 -15.0583 -15.0464 -15.0464 -15.0461 -15.0461 -13.3952 -13.3952 -7.3477 -7.3477 -7.3248 -7.3248 -6.9832 -6.9832 -2.8124 -2.8124 -2.3216 -2.3216 -2.2916 -2.2916 -2.0692 -2.0692 -1.8554 -1.8554 -1.8432 -1.8432 -1.3389 -1.3389 -1.2708 -1.2708 -1.1296 -1.1296 -0.8315 -0.8315 -0.8079 -0.8079 -0.1374 -0.1374 0.2866 0.2866 0.2988 0.2988 0.3654 0.3654 0.5066 0.5066 0.5562 0.5562 1.7108 1.7108 1.7372 1.7372 1.7782 1.7782 2.1970 2.1970 2.2022 2.2022 2.3027 2.3027 3.1342 3.1342 5.1691 5.1691 5.2193 5.2193 5.2419 5.2419 5.5404 5.5404 5.6312 5.6312 5.8428 5.8428 5.8877 5.8877 5.9306 5.9306 5.9472 5.9472 k = 0.0000 0.1034-0.0000 ( 13377 PWs) bands (ev): -17.1648 -17.1648 -16.8960 -16.8960 -16.8868 -16.8868 -15.0634 -15.0634 -15.0464 -15.0464 -15.0460 -15.0460 -13.3944 -13.3944 -7.3473 -7.3473 -7.3152 -7.3152 -6.9816 -6.9816 -2.8071 -2.8071 -2.3350 -2.3350 -2.2887 -2.2887 -2.0760 -2.0760 -1.8569 -1.8569 -1.8399 -1.8399 -1.3619 -1.3619 -1.2705 -1.2705 -1.1255 -1.1255 -0.8370 -0.8370 -0.8038 -0.8038 -0.1544 -0.1544 0.2636 0.2636 0.2857 0.2857 0.3693 0.3693 0.5087 0.5087 0.5747 0.5747 1.7115 1.7115 1.7494 1.7494 1.8012 1.8012 2.1927 2.1927 2.2001 2.2001 2.2988 2.2988 3.1661 3.1661 5.1676 5.1676 5.2187 5.2187 5.2490 5.2490 5.5299 5.5299 5.6582 5.6582 5.8459 5.8459 5.8942 5.8942 5.9271 5.9271 5.9565 5.9565 k = 0.0000 0.1207-0.0000 ( 13361 PWs) bands (ev): -17.1616 -17.1616 -16.8979 -16.8979 -16.8854 -16.8854 -15.0693 -15.0693 -15.0464 -15.0464 -15.0460 -15.0460 -13.3934 -13.3934 -7.3468 -7.3468 -7.3044 -7.3044 -6.9791 -6.9791 -2.8011 -2.8011 -2.3530 -2.3530 -2.2852 -2.2852 -2.0823 -2.0823 -1.8581 -1.8581 -1.8356 -1.8356 -1.3862 -1.3862 -1.2702 -1.2702 -1.1223 -1.1223 -0.8433 -0.8433 -0.7992 -0.7992 -0.1728 -0.1728 0.2349 0.2349 0.2727 0.2727 0.3747 0.3747 0.5112 0.5112 0.5943 0.5943 1.7121 1.7121 1.7633 1.7633 1.8272 1.8272 2.1879 2.1879 2.1977 2.1977 2.2945 2.2945 3.2028 3.2028 5.1654 5.1654 5.2191 5.2191 5.2577 5.2577 5.5172 5.5172 5.6872 5.6872 5.8484 5.8484 5.8988 5.8988 5.9232 5.9232 5.9730 5.9730 k = 0.0000 0.1379-0.0000 ( 13369 PWs) bands (ev): -17.1579 -17.1579 -16.9001 -16.9001 -16.8839 -16.8839 -15.0759 -15.0759 -15.0465 -15.0465 -15.0459 -15.0459 -13.3923 -13.3923 -7.3462 -7.3462 -7.2929 -7.2929 -6.9756 -6.9756 -2.7946 -2.7946 -2.3759 -2.3759 -2.2814 -2.2814 -2.0877 -2.0877 -1.8587 -1.8587 -1.8303 -1.8303 -1.4111 -1.4111 -1.2699 -1.2699 -1.1202 -1.1202 -0.8503 -0.8503 -0.7944 -0.7944 -0.1924 -0.1924 0.2035 0.2035 0.2580 0.2580 0.3813 0.3813 0.5143 0.5143 0.6148 0.6148 1.7125 1.7125 1.7787 1.7787 1.8554 1.8554 2.1826 2.1826 2.1950 2.1950 2.2898 2.2898 3.2437 3.2437 5.1631 5.1631 5.2205 5.2205 5.2679 5.2679 5.5023 5.5023 5.7165 5.7165 5.8505 5.8505 5.9011 5.9011 5.9191 5.9191 5.9976 5.9976 k = 0.0000 0.1552-0.0000 ( 13389 PWs) bands (ev): -17.1538 -17.1538 -16.9025 -16.9025 -16.8822 -16.8822 -15.0832 -15.0832 -15.0465 -15.0465 -15.0459 -15.0459 -13.3911 -13.3911 -7.3456 -7.3456 -7.2811 -7.2811 -6.9708 -6.9708 -2.7878 -2.7878 -2.4037 -2.4037 -2.2771 -2.2771 -2.0918 -2.0918 -1.8587 -1.8587 -1.8240 -1.8240 -1.4358 -1.4358 -1.2696 -1.2696 -1.1191 -1.1191 -0.8579 -0.8579 -0.7895 -0.7895 -0.2128 -0.2128 0.1700 0.1700 0.2415 0.2415 0.3887 0.3887 0.5178 0.5178 0.6356 0.6356 1.7129 1.7129 1.7954 1.7954 1.8851 1.8851 2.1769 2.1769 2.1920 2.1920 2.2848 2.2848 3.2885 3.2885 5.1611 5.1611 5.2226 5.2226 5.2796 5.2796 5.4854 5.4854 5.7440 5.7440 5.8525 5.8525 5.9020 5.9020 5.9150 5.9150 6.0299 6.0299 k = 0.0000 0.1724-0.0000 ( 13397 PWs) bands (ev): -17.1492 -17.1492 -16.9053 -16.9053 -16.8804 -16.8804 -15.0910 -15.0910 -15.0465 -15.0465 -15.0458 -15.0458 -13.3898 -13.3898 -7.3449 -7.3449 -7.2693 -7.2693 -6.9643 -6.9643 -2.7810 -2.7810 -2.4361 -2.4361 -2.2724 -2.2724 -2.0947 -2.0947 -1.8580 -1.8580 -1.8171 -1.8171 -1.4595 -1.4595 -1.2694 -1.2694 -1.1190 -1.1190 -0.8661 -0.8661 -0.7845 -0.7845 -0.2335 -0.2335 0.1349 0.1349 0.2237 0.2237 0.3964 0.3964 0.5219 0.5219 0.6566 0.6566 1.7132 1.7132 1.8133 1.8133 1.9155 1.9155 2.1710 2.1710 2.1890 2.1890 2.2797 2.2797 3.3366 3.3366 5.1600 5.1600 5.2253 5.2253 5.2926 5.2926 5.4667 5.4667 5.7672 5.7672 5.8544 5.8544 5.9026 5.9026 5.9124 5.9124 6.0693 6.0693 k = 0.0000 0.1897-0.0000 ( 13413 PWs) bands (ev): -17.1443 -17.1443 -16.9083 -16.9083 -16.8784 -16.8784 -15.0992 -15.0992 -15.0465 -15.0465 -15.0457 -15.0457 -13.3885 -13.3885 -7.3441 -7.3441 -7.2581 -7.2581 -6.9559 -6.9559 -2.7745 -2.7745 -2.4721 -2.4721 -2.2674 -2.2674 -2.0968 -2.0968 -1.8565 -1.8565 -1.8100 -1.8100 -1.4814 -1.4814 -1.2693 -1.2693 -1.1199 -1.1199 -0.8747 -0.8747 -0.7797 -0.7797 -0.2544 -0.2544 0.0986 0.0986 0.2047 0.2047 0.4042 0.4042 0.5267 0.5267 0.6776 0.6776 1.7135 1.7135 1.8320 1.8320 1.9458 1.9458 2.1652 2.1652 2.1860 2.1860 2.2746 2.2746 3.3873 3.3873 5.1604 5.1604 5.2283 5.2283 5.3068 5.3068 5.4464 5.4464 5.7836 5.7836 5.8552 5.8552 5.9005 5.9005 5.9165 5.9165 6.1150 6.1150 k = 0.0000 0.2069-0.0000 ( 13409 PWs) bands (ev): -17.1390 -17.1390 -16.9116 -16.9116 -16.8764 -16.8764 -15.1078 -15.1078 -15.0466 -15.0466 -15.0457 -15.0457 -13.3872 -13.3872 -7.3432 -7.3432 -7.2479 -7.2479 -6.9454 -6.9454 -2.7690 -2.7690 -2.5105 -2.5105 -2.2621 -2.2621 -2.0983 -2.0983 -1.8541 -1.8541 -1.8035 -1.8035 -1.5003 -1.5003 -1.2693 -1.2693 -1.1218 -1.1218 -0.8834 -0.8834 -0.7751 -0.7751 -0.2753 -0.2753 0.0612 0.0612 0.1849 0.1849 0.4118 0.4118 0.5321 0.5321 0.6982 0.6982 1.7138 1.7138 1.8513 1.8513 1.9749 1.9749 2.1598 2.1598 2.1834 2.1834 2.2695 2.2695 3.4400 3.4400 5.1624 5.1624 5.2316 5.2316 5.3220 5.3220 5.4247 5.4247 5.7928 5.7928 5.8538 5.8538 5.8955 5.8955 5.9294 5.9294 6.1664 6.1664 k = 0.0000 0.2241-0.0000 ( 13409 PWs) bands (ev): -17.1334 -17.1334 -16.9152 -16.9152 -16.8742 -16.8742 -15.1166 -15.1166 -15.0466 -15.0466 -15.0456 -15.0456 -13.3858 -13.3858 -7.3422 -7.3422 -7.2389 -7.2389 -6.9325 -6.9325 -2.7655 -2.7655 -2.5497 -2.5497 -2.2566 -2.2566 -2.0997 -2.0997 -1.8510 -1.8510 -1.7984 -1.7984 -1.5149 -1.5149 -1.2694 -1.2694 -1.1245 -1.1245 -0.8921 -0.8921 -0.7708 -0.7708 -0.2959 -0.2959 0.0232 0.0232 0.1646 0.1646 0.4191 0.4191 0.5382 0.5382 0.7185 0.7185 1.7140 1.7140 1.8710 1.8710 2.0013 2.0013 2.1552 2.1552 2.1820 2.1820 2.2647 2.2647 3.4942 3.4942 5.1665 5.1665 5.2350 5.2350 5.3380 5.3380 5.4021 5.4021 5.7960 5.7960 5.8496 5.8496 5.8894 5.8894 5.9483 5.9483 6.2225 6.2225 k = 0.0000 0.2414-0.0000 ( 13401 PWs) bands (ev): -17.1274 -17.1274 -16.9191 -16.9191 -16.8721 -16.8721 -15.1257 -15.1257 -15.0467 -15.0467 -15.0455 -15.0455 -13.3844 -13.3844 -7.3412 -7.3412 -7.2314 -7.2314 -6.9173 -6.9173 -2.7658 -2.7658 -2.5871 -2.5871 -2.2509 -2.2509 -2.1012 -2.1012 -1.8474 -1.8474 -1.7957 -1.7957 -1.5240 -1.5240 -1.2697 -1.2697 -1.1280 -1.1280 -0.9007 -0.9007 -0.7668 -0.7668 -0.3162 -0.3162 -0.0153 -0.0153 0.1441 0.1441 0.4260 0.4260 0.5449 0.5449 0.7381 0.7381 1.7143 1.7143 1.8909 1.8909 2.0234 2.0234 2.1518 2.1518 2.1830 2.1830 2.2601 2.2601 3.5491 3.5491 5.1728 5.1728 5.2386 5.2386 5.3539 5.3539 5.3795 5.3795 5.7952 5.7952 5.8434 5.8434 5.8826 5.8826 5.9704 5.9704 6.2822 6.2822 k = 0.0000 0.2586-0.0000 ( 13409 PWs) bands (ev): -17.1212 -17.1212 -16.9232 -16.9232 -16.8698 -16.8698 -15.1347 -15.1347 -15.0467 -15.0467 -15.0454 -15.0454 -13.3830 -13.3830 -7.3401 -7.3401 -7.2255 -7.2255 -6.9000 -6.9000 -2.7731 -2.7731 -2.6189 -2.6189 -2.2450 -2.2450 -2.1031 -2.1031 -1.8439 -1.8439 -1.7954 -1.7954 -1.5267 -1.5267 -1.2702 -1.2702 -1.1323 -1.1323 -0.9089 -0.9089 -0.7632 -0.7632 -0.3362 -0.3362 -0.0540 -0.0540 0.1236 0.1236 0.4322 0.4322 0.5522 0.5522 0.7569 0.7569 1.7145 1.7145 1.9105 1.9105 2.0393 2.0393 2.1492 2.1492 2.1885 2.1885 2.2560 2.2560 3.6041 3.6041 5.1815 5.1815 5.2422 5.2422 5.3511 5.3511 5.3755 5.3755 5.7917 5.7917 5.8359 5.8359 5.8752 5.8752 5.9938 5.9938 6.3446 6.3446 k = 0.0000 0.2759-0.0000 ( 13394 PWs) bands (ev): -17.1147 -17.1147 -16.9276 -16.9276 -16.8676 -16.8676 -15.1437 -15.1437 -15.0467 -15.0467 -15.0453 -15.0453 -13.3817 -13.3817 -7.3389 -7.3389 -7.2211 -7.2211 -6.8807 -6.8807 -2.7909 -2.7909 -2.6409 -2.6409 -2.2391 -2.2391 -2.1054 -2.1054 -1.8421 -1.8421 -1.7961 -1.7961 -1.5232 -1.5232 -1.2707 -1.2707 -1.1370 -1.1370 -0.9165 -0.9165 -0.7601 -0.7601 -0.3560 -0.3560 -0.0925 -0.0925 0.1034 0.1034 0.4378 0.4378 0.5600 0.5600 0.7749 0.7749 1.7147 1.7147 1.9297 1.9297 2.0479 2.0479 2.1467 2.1467 2.1997 2.1997 2.2524 2.2524 3.6587 3.6587 5.1924 5.1924 5.2460 5.2460 5.3278 5.3278 5.3923 5.3923 5.7860 5.7860 5.8276 5.8276 5.8673 5.8673 6.0175 6.0175 6.4084 6.4084 k = 0.0000 0.2931-0.0000 ( 13394 PWs) bands (ev): -17.1081 -17.1081 -16.9322 -16.9322 -16.8654 -16.8654 -15.1525 -15.1525 -15.0468 -15.0468 -15.0452 -15.0452 -13.3804 -13.3804 -7.3377 -7.3377 -7.2182 -7.2182 -6.8599 -6.8599 -2.8198 -2.8198 -2.6520 -2.6520 -2.2333 -2.2333 -2.1083 -2.1083 -1.8445 -1.8445 -1.7949 -1.7949 -1.5143 -1.5143 -1.2713 -1.2713 -1.1418 -1.1418 -0.9235 -0.9235 -0.7574 -0.7574 -0.3755 -0.3755 -0.1304 -0.1304 0.0838 0.0838 0.4428 0.4428 0.5681 0.5681 0.7920 0.7920 1.7149 1.7149 1.9481 1.9481 2.0505 2.0505 2.1440 2.1440 2.2153 2.2153 2.2502 2.2502 3.7121 3.7121 5.2055 5.2055 5.2497 5.2497 5.3039 5.3039 5.4104 5.4104 5.7784 5.7784 5.8188 5.8188 5.8588 5.8588 6.0409 6.0409 6.4727 6.4727 k = 0.0000 0.3103-0.0000 ( 13382 PWs) bands (ev): -17.1012 -17.1012 -16.9370 -16.9370 -16.8632 -16.8632 -15.1611 -15.1611 -15.0468 -15.0468 -15.0452 -15.0452 -13.3792 -13.3792 -7.3365 -7.3365 -7.2165 -7.2165 -6.8382 -6.8382 -2.8561 -2.8561 -2.6551 -2.6551 -2.2275 -2.2275 -2.1117 -2.1117 -1.8523 -1.8523 -1.7894 -1.7894 -1.5017 -1.5017 -1.2717 -1.2717 -1.1463 -1.1463 -0.9296 -0.9296 -0.7554 -0.7554 -0.3952 -0.3952 -0.1674 -0.1674 0.0649 0.0649 0.4471 0.4471 0.5764 0.5764 0.8080 0.8080 1.7151 1.7151 1.9653 1.9653 2.0490 2.0490 2.1411 2.1411 2.2299 2.2299 2.2528 2.2528 3.7638 3.7638 5.2196 5.2196 5.2529 5.2529 5.2817 5.2817 5.4289 5.4289 5.7691 5.7691 5.8100 5.8100 5.8498 5.8498 6.0635 6.0635 6.5364 6.5364 k = 0.0000 0.3276-0.0000 ( 13350 PWs) bands (ev): -17.0942 -17.0942 -16.9421 -16.9421 -16.8611 -16.8611 -15.1693 -15.1693 -15.0469 -15.0469 -15.0451 -15.0451 -13.3780 -13.3780 -7.3352 -7.3352 -7.2158 -7.2158 -6.8159 -6.8159 -2.8958 -2.8958 -2.6538 -2.6538 -2.2217 -2.2217 -2.1156 -2.1156 -1.8641 -1.8641 -1.7802 -1.7802 -1.4876 -1.4876 -1.2715 -1.2715 -1.1498 -1.1498 -0.9348 -0.9348 -0.7539 -0.7539 -0.4152 -0.4152 -0.2027 -0.2027 0.0470 0.0470 0.4509 0.4509 0.5847 0.5847 0.8229 0.8229 1.7152 1.7152 1.9809 1.9809 2.0454 2.0454 2.1384 2.1384 2.2345 2.2345 2.2669 2.2669 3.8131 3.8131 5.2300 5.2300 5.2515 5.2515 5.2707 5.2707 5.4473 5.4473 5.7579 5.7579 5.8015 5.8015 5.8404 5.8404 6.0852 6.0852 6.5986 6.5986 k = 0.0000 0.3448-0.0000 ( 13358 PWs) bands (ev): -17.0872 -17.0872 -16.9473 -16.9473 -16.8592 -16.8592 -15.1771 -15.1771 -15.0469 -15.0469 -15.0450 -15.0450 -13.3770 -13.3770 -7.3339 -7.3339 -7.2159 -7.2159 -6.7937 -6.7937 -2.9361 -2.9361 -2.6503 -2.6503 -2.2162 -2.2162 -2.1198 -2.1198 -1.8779 -1.8779 -1.7684 -1.7684 -1.4742 -1.4742 -1.2702 -1.2702 -1.1515 -1.1515 -0.9391 -0.9391 -0.7531 -0.7531 -0.4361 -0.4361 -0.2357 -0.2357 0.0303 0.0303 0.4541 0.4541 0.5928 0.5928 0.8366 0.8366 1.7153 1.7153 1.9942 1.9942 2.0412 2.0412 2.1361 2.1361 2.2337 2.2337 2.2869 2.2869 3.8597 3.8597 5.2205 5.2205 5.2523 5.2523 5.2802 5.2802 5.4656 5.4656 5.7448 5.7448 5.7936 5.7936 5.8307 5.8307 6.1056 6.1056 6.6584 6.6584 k = 0.0000 0.3621-0.0000 ( 13374 PWs) bands (ev): -17.0801 -17.0801 -16.9527 -16.9527 -16.8573 -16.8573 -15.1843 -15.1843 -15.0469 -15.0469 -15.0449 -15.0449 -13.3760 -13.3760 -7.3326 -7.3326 -7.2166 -7.2166 -6.7722 -6.7722 -2.9751 -2.9751 -2.6459 -2.6459 -2.2109 -2.2109 -2.1243 -2.1243 -1.8922 -1.8922 -1.7548 -1.7548 -1.4637 -1.4637 -1.2674 -1.2674 -1.1504 -1.1504 -0.9427 -0.9427 -0.7531 -0.7531 -0.4581 -0.4581 -0.2656 -0.2656 0.0150 0.0150 0.4569 0.4569 0.6006 0.6006 0.8490 0.8490 1.7155 1.7155 2.0038 2.0038 2.0385 2.0385 2.1344 2.1344 2.2319 2.2319 2.3073 2.3073 3.9029 3.9029 5.2003 5.2003 5.2569 5.2569 5.2994 5.2994 5.4835 5.4835 5.7298 5.7298 5.7864 5.7864 5.8208 5.8208 6.1247 6.1247 6.7148 6.7148 k = 0.0000 0.3793-0.0000 ( 13386 PWs) bands (ev): -17.0731 -17.0731 -16.9582 -16.9582 -16.8556 -16.8556 -15.1908 -15.1908 -15.0470 -15.0470 -15.0449 -15.0449 -13.3751 -13.3751 -7.3313 -7.3313 -7.2177 -7.2177 -6.7517 -6.7517 -3.0117 -3.0117 -2.6412 -2.6412 -2.2058 -2.2058 -2.1289 -2.1289 -1.9061 -1.9061 -1.7398 -1.7398 -1.4579 -1.4579 -1.2632 -1.2632 -1.1454 -1.1454 -0.9455 -0.9455 -0.7540 -0.7540 -0.4814 -0.4814 -0.2917 -0.2917 0.0012 0.0012 0.4593 0.4593 0.6078 0.6078 0.8602 0.8602 1.7155 1.7155 2.0080 2.0080 2.0392 2.0392 2.1335 2.1335 2.2300 2.2300 2.3264 2.3264 3.9423 3.9423 5.1797 5.1797 5.2604 5.2604 5.3231 5.3231 5.5008 5.5008 5.7130 5.7130 5.7799 5.7799 5.8107 5.8107 6.1422 6.1422 6.7670 6.7670 k = 0.0000 0.3966-0.0000 ( 13386 PWs) bands (ev): -17.0661 -17.0661 -16.9637 -16.9637 -16.8541 -16.8541 -15.1967 -15.1967 -15.0470 -15.0470 -15.0448 -15.0448 -13.3743 -13.3743 -7.3302 -7.3302 -7.2189 -7.2189 -6.7329 -6.7329 -3.0450 -3.0450 -2.6367 -2.6367 -2.2010 -2.2010 -2.1335 -2.1335 -1.9190 -1.9190 -1.7241 -1.7241 -1.4573 -1.4573 -1.2583 -1.2583 -1.1357 -1.1357 -0.9476 -0.9476 -0.7560 -0.7560 -0.5057 -0.5057 -0.3136 -0.3136 -0.0111 -0.0111 0.4613 0.4613 0.6144 0.6144 0.8700 0.8700 1.7156 1.7156 2.0071 2.0071 2.0431 2.0431 2.1334 2.1334 2.2283 2.2283 2.3438 2.3438 3.9774 3.9774 5.1603 5.1603 5.2631 5.2631 5.3491 5.3491 5.5173 5.5173 5.6945 5.6945 5.7743 5.7743 5.8007 5.8007 6.1579 6.1579 6.8141 6.8141 k = 0.0000 0.4138-0.0000 ( 13398 PWs) bands (ev): -17.0595 -17.0595 -16.9692 -16.9692 -16.8527 -16.8527 -15.2018 -15.2018 -15.0470 -15.0470 -15.0448 -15.0448 -13.3736 -13.3736 -7.3291 -7.3291 -7.2203 -7.2203 -6.7161 -6.7161 -3.0744 -3.0744 -2.6325 -2.6325 -2.1965 -2.1965 -2.1379 -2.1379 -1.9305 -1.9305 -1.7080 -1.7080 -1.4614 -1.4614 -1.2536 -1.2536 -1.1213 -1.1213 -0.9492 -0.9492 -0.7592 -0.7592 -0.5301 -0.5301 -0.3312 -0.3312 -0.0216 -0.0216 0.4629 0.4629 0.6202 0.6202 0.8783 0.8783 1.7157 1.7157 2.0040 2.0040 2.0479 2.0479 2.1341 2.1341 2.2267 2.2267 2.3590 2.3590 4.0080 4.0080 5.1429 5.1429 5.2654 5.2654 5.3764 5.3764 5.5325 5.5325 5.6747 5.6747 5.7694 5.7694 5.7910 5.7910 6.1715 6.1715 6.8554 6.8554 k = 0.0000 0.4310-0.0000 ( 13386 PWs) bands (ev): -17.0532 -17.0532 -16.9745 -16.9745 -16.8516 -16.8516 -15.2060 -15.2060 -15.0470 -15.0470 -15.0447 -15.0447 -13.3731 -13.3731 -7.3282 -7.3282 -7.2216 -7.2216 -6.7017 -6.7017 -3.0991 -3.0991 -2.6289 -2.6289 -2.1924 -2.1924 -2.1420 -2.1420 -1.9403 -1.9403 -1.6921 -1.6921 -1.4690 -1.4690 -1.2499 -1.2499 -1.1035 -1.1035 -0.9503 -0.9503 -0.7638 -0.7638 -0.5532 -0.5532 -0.3449 -0.3449 -0.0303 -0.0303 0.4642 0.4642 0.6251 0.6251 0.8852 0.8852 1.7157 1.7157 2.0003 2.0003 2.0520 2.0520 2.1354 2.1354 2.2255 2.2255 2.3717 2.3717 4.0336 4.0336 5.1279 5.1279 5.2672 5.2672 5.4041 5.4041 5.5461 5.5461 5.6538 5.6538 5.7655 5.7655 5.7819 5.7819 6.1830 6.1830 6.8903 6.8903 k = 0.0000 0.4483-0.0000 ( 13394 PWs) bands (ev): -17.0475 -17.0475 -16.9793 -16.9793 -16.8507 -16.8507 -15.2093 -15.2093 -15.0471 -15.0471 -15.0447 -15.0447 -13.3726 -13.3726 -7.3274 -7.3274 -7.2227 -7.2227 -6.6902 -6.6902 -3.1189 -3.1189 -2.6260 -2.6260 -2.1889 -2.1889 -2.1457 -2.1457 -1.9481 -1.9481 -1.6774 -1.6774 -1.4782 -1.4782 -1.2474 -1.2474 -1.0846 -1.0846 -0.9511 -0.9511 -0.7696 -0.7696 -0.5732 -0.5732 -0.3550 -0.3550 -0.0371 -0.0371 0.4652 0.4652 0.6290 0.6290 0.8907 0.8907 1.7157 1.7157 1.9970 1.9970 2.0551 2.0551 2.1369 2.1369 2.2245 2.2245 2.3818 2.3818 4.0538 4.0538 5.1157 5.1157 5.2686 5.2686 5.4311 5.4311 5.5575 5.5575 5.6325 5.6325 5.7624 5.7624 5.7739 5.7739 6.1922 6.1922 6.9180 6.9180 k = 0.0000 0.4655-0.0000 ( 13374 PWs) bands (ev): -17.0429 -17.0429 -16.9834 -16.9834 -16.8501 -16.8501 -15.2118 -15.2118 -15.0471 -15.0471 -15.0447 -15.0447 -13.3723 -13.3723 -7.3268 -7.3268 -7.2235 -7.2235 -6.6817 -6.6817 -3.1333 -3.1333 -2.6239 -2.6239 -2.1860 -2.1860 -2.1488 -2.1488 -1.9538 -1.9538 -1.6650 -1.6650 -1.4872 -1.4872 -1.2458 -1.2458 -1.0674 -1.0674 -0.9516 -0.9516 -0.7758 -0.7758 -0.5887 -0.5887 -0.3620 -0.3620 -0.0420 -0.0420 0.4658 0.4658 0.6319 0.6319 0.8945 0.8945 1.7157 1.7157 1.9945 1.9945 2.0571 2.0571 2.1383 2.1383 2.2238 2.2238 2.3891 2.3891 4.0685 4.0685 5.1068 5.1068 5.2696 5.2696 5.4560 5.4560 5.5662 5.5662 5.6122 5.6122 5.7604 5.7604 5.7674 5.7674 6.1988 6.1988 6.9382 6.9382 k = 0.0000 0.4828-0.0000 ( 13374 PWs) bands (ev): -17.0397 -17.0397 -16.9862 -16.9862 -16.8497 -16.8497 -15.2132 -15.2132 -15.0471 -15.0471 -15.0447 -15.0447 -13.3721 -13.3721 -7.3264 -7.3264 -7.2241 -7.2241 -6.6766 -6.6766 -3.1420 -3.1420 -2.6226 -2.6226 -2.1840 -2.1840 -2.1508 -2.1508 -1.9572 -1.9572 -1.6565 -1.6565 -1.4938 -1.4938 -1.2449 -1.2449 -1.0552 -1.0552 -0.9519 -0.9519 -0.7808 -0.7808 -0.5983 -0.5983 -0.3660 -0.3660 -0.0450 -0.0450 0.4663 0.4663 0.6336 0.6336 0.8969 0.8969 1.7157 1.7157 1.9929 1.9929 2.0582 2.0582 2.1393 2.1393 2.2234 2.2234 2.3935 2.3935 4.0774 4.0774 5.1013 5.1013 5.2702 5.2702 5.4755 5.4755 5.5710 5.5710 5.5961 5.5961 5.7596 5.7596 5.7628 5.7628 6.2029 6.2029 6.9505 6.9505 k = 0.0000 0.5000-0.0000 ( 13350 PWs) bands (ev): -17.0386 -17.0386 -16.9872 -16.9872 -16.8495 -16.8495 -15.2137 -15.2137 -15.0471 -15.0471 -15.0447 -15.0447 -13.3720 -13.3720 -7.3263 -7.3263 -7.2243 -7.2243 -6.6748 -6.6748 -3.1449 -3.1449 -2.6222 -2.6222 -2.1833 -2.1833 -2.1515 -2.1515 -1.9584 -1.9584 -1.6534 -1.6534 -1.4963 -1.4963 -1.2447 -1.2447 -1.0508 -1.0508 -0.9520 -0.9520 -0.7828 -0.7828 -0.6016 -0.6016 -0.3673 -0.3673 -0.0459 -0.0459 0.4664 0.4664 0.6342 0.6342 0.8977 0.8977 1.7158 1.7158 1.9924 1.9924 2.0585 2.0585 2.1396 2.1396 2.2233 2.2233 2.3950 2.3950 4.0804 4.0804 5.0994 5.0994 5.2704 5.2704 5.4835 5.4835 5.5721 5.5721 5.5900 5.5900 5.7600 5.7600 5.7604 5.7604 6.2042 6.2042 6.9546 6.9546 k = 0.0000 0.5000-0.0000 ( 13350 PWs) bands (ev): -17.0386 -17.0386 -16.9872 -16.9872 -16.8495 -16.8495 -15.2137 -15.2137 -15.0471 -15.0471 -15.0447 -15.0447 -13.3720 -13.3720 -7.3263 -7.3263 -7.2243 -7.2243 -6.6748 -6.6748 -3.1449 -3.1449 -2.6222 -2.6222 -2.1833 -2.1833 -2.1515 -2.1515 -1.9584 -1.9584 -1.6534 -1.6534 -1.4963 -1.4963 -1.2447 -1.2447 -1.0508 -1.0508 -0.9520 -0.9520 -0.7828 -0.7828 -0.6016 -0.6016 -0.3673 -0.3673 -0.0459 -0.0459 0.4664 0.4664 0.6342 0.6342 0.8977 0.8977 1.7158 1.7158 1.9924 1.9924 2.0585 2.0585 2.1396 2.1396 2.2233 2.2233 2.3950 2.3950 4.0804 4.0804 5.0994 5.0994 5.2704 5.2704 5.4835 5.4835 5.5721 5.5721 5.5900 5.5900 5.7600 5.7600 5.7604 5.7604 6.2042 6.2042 6.9546 6.9546 k = 0.0172 0.5000-0.0000 ( 13366 PWs) bands (ev): -17.0384 -17.0384 -16.9872 -16.9872 -16.8496 -16.8496 -15.2138 -15.2138 -15.0471 -15.0471 -15.0451 -15.0451 -13.3721 -13.3721 -7.3248 -7.3248 -7.2246 -7.2246 -6.6748 -6.6748 -3.1451 -3.1451 -2.6217 -2.6217 -2.1833 -2.1833 -2.1553 -2.1553 -1.9585 -1.9585 -1.6530 -1.6530 -1.4961 -1.4961 -1.2459 -1.2459 -1.0561 -1.0561 -0.9473 -0.9473 -0.7826 -0.7826 -0.6003 -0.6003 -0.3684 -0.3684 -0.0452 -0.0452 0.4677 0.4677 0.6345 0.6345 0.8987 0.8987 1.7167 1.7167 1.9924 1.9924 2.0576 2.0576 2.1381 2.1381 2.2228 2.2228 2.3949 2.3949 4.0818 4.0818 5.1001 5.1001 5.2711 5.2711 5.4845 5.4845 5.5729 5.5729 5.5905 5.5905 5.7593 5.7593 5.7606 5.7606 6.2060 6.2060 6.9543 6.9543 k = 0.0345 0.5000-0.0000 ( 13390 PWs) bands (ev): -17.0376 -17.0376 -16.9870 -16.9870 -16.8497 -16.8497 -15.2139 -15.2139 -15.0471 -15.0471 -15.0463 -15.0463 -13.3721 -13.3721 -7.3201 -7.3201 -7.2254 -7.2254 -6.6746 -6.6746 -3.1458 -3.1458 -2.6206 -2.6206 -2.1839 -2.1839 -2.1658 -2.1658 -1.9589 -1.9589 -1.6519 -1.6519 -1.4956 -1.4956 -1.2498 -1.2498 -1.0690 -1.0690 -0.9359 -0.9359 -0.7822 -0.7822 -0.5966 -0.5966 -0.3716 -0.3716 -0.0432 -0.0432 0.4714 0.4714 0.6356 0.6356 0.9018 0.9018 1.7196 1.7196 1.9923 1.9923 2.0547 2.0547 2.1334 2.1334 2.2214 2.2214 2.3947 2.3947 4.0862 4.0862 5.1022 5.1022 5.2732 5.2732 5.4872 5.4872 5.5755 5.5755 5.5922 5.5922 5.7577 5.7577 5.7606 5.7606 6.2112 6.2112 6.9535 6.9535 k = 0.0517 0.5000-0.0000 ( 13394 PWs) bands (ev): -17.0365 -17.0365 -16.9868 -16.9868 -16.8499 -16.8499 -15.2141 -15.2141 -15.0483 -15.0483 -15.0470 -15.0470 -13.3723 -13.3723 -7.3123 -7.3123 -7.2268 -7.2268 -6.6742 -6.6742 -3.1469 -3.1469 -2.6189 -2.6189 -2.1924 -2.1924 -2.1748 -2.1748 -1.9596 -1.9596 -1.6503 -1.6503 -1.4947 -1.4947 -1.2573 -1.2573 -1.0843 -1.0843 -0.9221 -0.9221 -0.7813 -0.7813 -0.5905 -0.5905 -0.3769 -0.3769 -0.0399 -0.0399 0.4774 0.4774 0.6373 0.6373 0.9070 0.9070 1.7244 1.7244 1.9923 1.9923 2.0501 2.0501 2.1257 2.1257 2.2191 2.2191 2.3944 2.3944 4.0933 4.0933 5.1057 5.1057 5.2767 5.2767 5.4915 5.4915 5.5800 5.5800 5.5949 5.5949 5.7556 5.7556 5.7603 5.7603 6.2199 6.2199 6.9521 6.9521 k = 0.0690 0.5000-0.0000 ( 13386 PWs) bands (ev): -17.0348 -17.0348 -16.9865 -16.9865 -16.8502 -16.8502 -15.2144 -15.2144 -15.0511 -15.0511 -15.0470 -15.0470 -13.3724 -13.3724 -7.3015 -7.3015 -7.2288 -7.2288 -6.6737 -6.6737 -3.1483 -3.1483 -2.6171 -2.6171 -2.2154 -2.2154 -2.1749 -2.1749 -1.9606 -1.9606 -1.6485 -1.6485 -1.4936 -1.4936 -1.2691 -1.2691 -1.0983 -1.0983 -0.9083 -0.9083 -0.7799 -0.7799 -0.5825 -0.5825 -0.3840 -0.3840 -0.0355 -0.0355 0.4853 0.4853 0.6397 0.6397 0.9145 0.9145 1.7311 1.7311 1.9923 1.9923 2.0436 2.0436 2.1148 2.1148 2.2161 2.2161 2.3941 2.3941 4.1032 4.1032 5.1105 5.1105 5.2817 5.2817 5.4969 5.4969 5.5862 5.5862 5.5987 5.5987 5.7530 5.7530 5.7598 5.7598 6.2321 6.2321 6.9501 6.9501 k = 0.0862 0.5000-0.0000 ( 13382 PWs) bands (ev): -17.0327 -17.0327 -16.9862 -16.9862 -16.8506 -16.8506 -15.2148 -15.2148 -15.0546 -15.0546 -15.0470 -15.0470 -13.3727 -13.3727 -7.2878 -7.2878 -7.2313 -7.2313 -6.6731 -6.6731 -3.1502 -3.1502 -2.6159 -2.6159 -2.2451 -2.2451 -2.1726 -2.1726 -1.9621 -1.9621 -1.6468 -1.6468 -1.4925 -1.4925 -1.2856 -1.2856 -1.1089 -1.1089 -0.8960 -0.8960 -0.7777 -0.7777 -0.5730 -0.5730 -0.3926 -0.3926 -0.0303 -0.0303 0.4946 0.4946 0.6428 0.6428 0.9243 0.9243 1.7394 1.7394 1.9922 1.9922 2.0353 2.0353 2.1007 2.1007 2.2126 2.2126 2.3939 2.3939 4.1158 4.1158 5.1165 5.1165 5.2879 5.2879 5.5028 5.5028 5.5937 5.5937 5.6041 5.6041 5.7503 5.7503 5.7592 5.7592 6.2479 6.2479 6.9476 6.9476 k = 0.1034 0.5000-0.0000 ( 13378 PWs) bands (ev): -17.0301 -17.0301 -16.9857 -16.9857 -16.8511 -16.8511 -15.2152 -15.2152 -15.0588 -15.0588 -15.0469 -15.0469 -13.3729 -13.3729 -7.2712 -7.2712 -7.2342 -7.2342 -6.6724 -6.6724 -3.1523 -3.1523 -2.6165 -2.6165 -2.2780 -2.2780 -2.1694 -2.1694 -1.9640 -1.9640 -1.6456 -1.6456 -1.4915 -1.4915 -1.3061 -1.3061 -1.1154 -1.1154 -0.8855 -0.8855 -0.7747 -0.7747 -0.5623 -0.5623 -0.4025 -0.4025 -0.0245 -0.0245 0.5048 0.5048 0.6464 0.6464 0.9365 0.9365 1.7493 1.7493 1.9920 1.9920 2.0254 2.0254 2.0837 2.0837 2.2085 2.2085 2.3938 2.3938 4.1309 4.1309 5.1237 5.1237 5.2954 5.2954 5.5087 5.5087 5.5996 5.5996 5.6135 5.6135 5.7478 5.7478 5.7585 5.7585 6.2672 6.2672 6.9446 6.9446 k = 0.1207 0.5000-0.0000 ( 13372 PWs) bands (ev): -17.0272 -17.0272 -16.9852 -16.9852 -16.8517 -16.8517 -15.2157 -15.2157 -15.0637 -15.0637 -15.0469 -15.0469 -13.3732 -13.3732 -7.2520 -7.2520 -7.2375 -7.2375 -6.6715 -6.6715 -3.1548 -3.1548 -2.6203 -2.6203 -2.3118 -2.3118 -2.1655 -2.1655 -1.9664 -1.9664 -1.6451 -1.6451 -1.4914 -1.4914 -1.3289 -1.3289 -1.1185 -1.1185 -0.8772 -0.8772 -0.7706 -0.7706 -0.5513 -0.5513 -0.4129 -0.4129 -0.0184 -0.0184 0.5156 0.5156 0.6505 0.6505 0.9511 0.9511 1.7607 1.7607 1.9917 1.9917 2.0141 2.0141 2.0638 2.0638 2.2041 2.2041 2.3938 2.3938 4.1485 4.1485 5.1319 5.1319 5.3041 5.3041 5.5142 5.5142 5.6029 5.6029 5.6277 5.6277 5.7461 5.7461 5.7579 5.7579 6.2900 6.2900 6.9410 6.9410 k = 0.1379 0.5000-0.0000 ( 13380 PWs) bands (ev): -17.0238 -17.0238 -16.9846 -16.9846 -16.8525 -16.8525 -15.2163 -15.2163 -15.0691 -15.0691 -15.0468 -15.0468 -13.3736 -13.3736 -7.2419 -7.2419 -7.2295 -7.2295 -6.6706 -6.6706 -3.1575 -3.1575 -2.6298 -2.6298 -2.3433 -2.3433 -2.1612 -2.1612 -1.9693 -1.9693 -1.6456 -1.6456 -1.4926 -1.4926 -1.3515 -1.3515 -1.1190 -1.1190 -0.8711 -0.8711 -0.7654 -0.7654 -0.5408 -0.5408 -0.4233 -0.4233 -0.0122 -0.0122 0.5264 0.5264 0.6550 0.6550 0.9683 0.9683 1.7733 1.7733 1.9907 1.9907 2.0018 2.0018 2.0414 2.0414 2.1993 2.1993 2.3941 2.3941 4.1683 4.1683 5.1411 5.1411 5.3140 5.3140 5.5191 5.5191 5.6037 5.6037 5.6455 5.6455 5.7454 5.7454 5.7577 5.7577 6.3163 6.3163 6.9371 6.9371 k = 0.1552 0.5000-0.0000 ( 13380 PWs) bands (ev): -17.0200 -17.0200 -16.9840 -16.9840 -16.8533 -16.8533 -15.2169 -15.2169 -15.0751 -15.0751 -15.0467 -15.0467 -13.3740 -13.3740 -7.2458 -7.2458 -7.2053 -7.2053 -6.6695 -6.6695 -3.1604 -3.1604 -2.6476 -2.6476 -2.3694 -2.3694 -2.1565 -2.1565 -1.9728 -1.9728 -1.6475 -1.6475 -1.4963 -1.4963 -1.3713 -1.3713 -1.1176 -1.1176 -0.8670 -0.8670 -0.7593 -0.7593 -0.5322 -0.5322 -0.4321 -0.4321 -0.0062 -0.0062 0.5371 0.5371 0.6597 0.6597 0.9878 0.9878 1.7870 1.7870 1.9836 1.9836 1.9939 1.9939 2.0170 2.0170 2.1943 2.1943 2.3947 2.3947 4.1902 4.1902 5.1510 5.1510 5.3249 5.3249 5.5233 5.5233 5.6021 5.6021 5.6662 5.6662 5.7454 5.7454 5.7589 5.7589 6.3457 6.3457 6.9327 6.9327 k = 0.1724 0.5000-0.0000 ( 13376 PWs) bands (ev): -17.0159 -17.0159 -16.9833 -16.9833 -16.8542 -16.8542 -15.2176 -15.2176 -15.0815 -15.0815 -15.0467 -15.0467 -13.3744 -13.3744 -7.2503 -7.2503 -7.1788 -7.1788 -6.6684 -6.6684 -3.1635 -3.1635 -2.6757 -2.6757 -2.3875 -2.3875 -2.1516 -2.1516 -1.9769 -1.9769 -1.6514 -1.6514 -1.5031 -1.5031 -1.3859 -1.3859 -1.1151 -1.1151 -0.8646 -0.8646 -0.7525 -0.7525 -0.5275 -0.5275 -0.4376 -0.4376 -0.0007 -0.0007 0.5474 0.5474 0.6646 0.6646 1.0095 1.0095 1.8016 1.8016 1.9686 1.9686 1.9868 1.9868 1.9965 1.9965 2.1890 2.1890 2.3955 2.3955 4.2139 4.2139 5.1616 5.1616 5.3367 5.3367 5.5269 5.5269 5.5978 5.5978 5.6894 5.6894 5.7450 5.7450 5.7626 5.7626 6.3781 6.3781 6.9280 6.9280 k = 0.1897 0.5000-0.0000 ( 13380 PWs) bands (ev): -17.0114 -17.0114 -16.9826 -16.9826 -16.8553 -16.8553 -15.2183 -15.2183 -15.0884 -15.0884 -15.0466 -15.0466 -13.3748 -13.3748 -7.2550 -7.2550 -7.1502 -7.1502 -6.6672 -6.6672 -3.1666 -3.1666 -2.7140 -2.7140 -2.3971 -2.3971 -2.1465 -2.1465 -1.9817 -1.9817 -1.6581 -1.6581 -1.5122 -1.5122 -1.3943 -1.3943 -1.1118 -1.1118 -0.8635 -0.8635 -0.7452 -0.7452 -0.5285 -0.5285 -0.4378 -0.4378 0.0042 0.0042 0.5573 0.5573 0.6693 0.6693 1.0330 1.0330 1.8168 1.8168 1.9503 1.9503 1.9621 1.9621 1.9942 1.9942 2.1836 2.1836 2.3967 2.3967 4.2393 4.2393 5.1727 5.1727 5.3494 5.3494 5.5298 5.5298 5.5911 5.5911 5.7147 5.7147 5.7437 5.7437 5.7693 5.7693 6.4129 6.4129 6.9232 6.9232 k = 0.2069 0.5000-0.0000 ( 13378 PWs) bands (ev): -17.0066 -17.0066 -16.9818 -16.9818 -16.8566 -16.8566 -15.2191 -15.2191 -15.0955 -15.0955 -15.0465 -15.0465 -13.3752 -13.3752 -7.2599 -7.2599 -7.1198 -7.1198 -6.6660 -6.6660 -3.1699 -3.1699 -2.7609 -2.7609 -2.3997 -2.3997 -2.1416 -2.1416 -1.9872 -1.9872 -1.6684 -1.6684 -1.5213 -1.5213 -1.3971 -1.3971 -1.1081 -1.1081 -0.8636 -0.8636 -0.7377 -0.7377 -0.5354 -0.5354 -0.4325 -0.4325 0.0083 0.0083 0.5667 0.5667 0.6739 0.6739 1.0582 1.0582 1.8324 1.8324 1.9263 1.9263 1.9390 1.9390 1.9940 1.9940 2.1781 2.1781 2.3982 2.3982 4.2660 4.2660 5.1843 5.1843 5.3628 5.3628 5.5323 5.5323 5.5821 5.5821 5.7400 5.7400 5.7435 5.7435 5.7786 5.7786 6.4496 6.4496 6.9185 6.9185 k = 0.2241 0.5000-0.0000 ( 13382 PWs) bands (ev): -17.0016 -17.0016 -16.9810 -16.9810 -16.8580 -16.8580 -15.2198 -15.2198 -15.1029 -15.1029 -15.0464 -15.0464 -13.3757 -13.3757 -7.2649 -7.2649 -7.0878 -7.0878 -6.6647 -6.6647 -3.1732 -3.1732 -2.8138 -2.8138 -2.3970 -2.3970 -2.1369 -2.1369 -1.9936 -1.9936 -1.6825 -1.6825 -1.5278 -1.5278 -1.3959 -1.3959 -1.1041 -1.1041 -0.8647 -0.8647 -0.7303 -0.7303 -0.5466 -0.5466 -0.4233 -0.4233 0.0115 0.0115 0.5757 0.5757 0.6783 0.6783 1.0844 1.0844 1.8479 1.8479 1.8974 1.8974 1.9192 1.9192 1.9942 1.9942 2.1725 2.1725 2.3999 2.3999 4.2937 4.2937 5.1960 5.1960 5.3769 5.3769 5.5342 5.5342 5.5714 5.5714 5.7386 5.7386 5.7709 5.7709 5.7900 5.7900 6.4872 6.4872 6.9144 6.9144 k = 0.2414 0.5000-0.0000 ( 13382 PWs) bands (ev): -16.9962 -16.9962 -16.9802 -16.9802 -16.8595 -16.8595 -15.2206 -15.2206 -15.1104 -15.1104 -15.0463 -15.0463 -13.3762 -13.3762 -7.2701 -7.2701 -7.0547 -7.0547 -6.6634 -6.6634 -3.1765 -3.1765 -2.8707 -2.8707 -2.3909 -2.3909 -2.1326 -2.1326 -2.0009 -2.0009 -1.7000 -1.7000 -1.5304 -1.5304 -1.3921 -1.3921 -1.0999 -1.0999 -0.8664 -0.8664 -0.7234 -0.7234 -0.5602 -0.5602 -0.4118 -0.4118 0.0136 0.0136 0.5843 0.5843 0.6823 0.6823 1.1113 1.1113 1.8584 1.8584 1.8716 1.8716 1.9000 1.9000 1.9945 1.9945 2.1669 2.1669 2.4020 2.4020 4.3222 4.3222 5.2080 5.2080 5.3916 5.3916 5.5357 5.5357 5.5594 5.5594 5.7353 5.7353 5.7995 5.7995 5.8044 5.8044 6.5247 6.5247 6.9114 6.9114 k = 0.2586 0.5000-0.0000 ( 13388 PWs) bands (ev): -16.9907 -16.9907 -16.9794 -16.9794 -16.8613 -16.8613 -15.2214 -15.2214 -15.1180 -15.1180 -15.0462 -15.0462 -13.3766 -13.3766 -7.2752 -7.2752 -7.0207 -7.0207 -6.6621 -6.6621 -3.1797 -3.1797 -2.9298 -2.9298 -2.3826 -2.3826 -2.1290 -2.1290 -2.0092 -2.0092 -1.7196 -1.7196 -1.5288 -1.5288 -1.3866 -1.3866 -1.0956 -1.0956 -0.8688 -0.8688 -0.7170 -0.7170 -0.5748 -0.5748 -0.3993 -0.3993 0.0146 0.0146 0.5926 0.5926 0.6860 0.6860 1.1385 1.1385 1.8334 1.8334 1.8751 1.8751 1.8862 1.8862 1.9949 1.9949 2.1613 2.1613 2.4044 2.4044 4.3511 4.3511 5.2199 5.2199 5.4066 5.4066 5.5364 5.5364 5.5468 5.5468 5.7315 5.7315 5.8152 5.8152 5.8339 5.8339 6.5605 6.5605 6.9106 6.9106 k = 0.2759 0.5000-0.0000 ( 13388 PWs) bands (ev): -16.9850 -16.9850 -16.9786 -16.9786 -16.8632 -16.8632 -15.2222 -15.2222 -15.1255 -15.1255 -15.0462 -15.0462 -13.3771 -13.3771 -7.2802 -7.2802 -6.9861 -6.9861 -6.6608 -6.6608 -3.1829 -3.1829 -2.9897 -2.9897 -2.3728 -2.3728 -2.1261 -2.1261 -2.0184 -2.0184 -1.7399 -1.7399 -1.5236 -1.5236 -1.3800 -1.3800 -1.0912 -1.0912 -0.8717 -0.8717 -0.7118 -0.7118 -0.5894 -0.5894 -0.3863 -0.3863 0.0145 0.0145 0.6007 0.6007 0.6893 0.6893 1.1655 1.1655 1.8029 1.8029 1.8585 1.8585 1.8978 1.8978 1.9954 1.9954 2.1558 2.1558 2.4071 2.4071 4.3801 4.3801 5.2318 5.2318 5.4221 5.4221 5.5309 5.5309 5.5395 5.5395 5.7272 5.7272 5.8292 5.8292 5.8669 5.8669 6.5927 6.5927 6.9130 6.9130 k = 0.2931 0.5000-0.0000 ( 13390 PWs) bands (ev): -16.9792 -16.9792 -16.9778 -16.9778 -16.8653 -16.8653 -15.2230 -15.2230 -15.1329 -15.1329 -15.0461 -15.0461 -13.3776 -13.3776 -7.2852 -7.2852 -6.9513 -6.9513 -6.6596 -6.6596 -3.1860 -3.1860 -3.0495 -3.0495 -2.3623 -2.3623 -2.1241 -2.1241 -2.0285 -2.0285 -1.7599 -1.7599 -1.5153 -1.5153 -1.3727 -1.3727 -1.0867 -1.0867 -0.8751 -0.8751 -0.7081 -0.7081 -0.6032 -0.6032 -0.3732 -0.3732 0.0133 0.0133 0.6085 0.6085 0.6923 0.6923 1.1921 1.1921 1.7727 1.7727 1.8388 1.8388 1.9122 1.9122 1.9961 1.9961 2.1504 2.1504 2.4100 2.4100 4.4087 4.4087 5.2435 5.2435 5.4377 5.4377 5.5176 5.5176 5.5394 5.5394 5.7224 5.7224 5.8431 5.8431 5.9012 5.9012 6.6190 6.6190 6.9204 6.9204 k = 0.3103 0.5000-0.0000 ( 13392 PWs) bands (ev): -16.9771 -16.9771 -16.9731 -16.9731 -16.8676 -16.8676 -15.2238 -15.2238 -15.1401 -15.1401 -15.0460 -15.0460 -13.3780 -13.3780 -7.2900 -7.2900 -6.9168 -6.9168 -6.6584 -6.6584 -3.1890 -3.1890 -3.1080 -3.1080 -2.3513 -2.3513 -2.1231 -2.1231 -2.0393 -2.0393 -1.7786 -1.7786 -1.5045 -1.5045 -1.3650 -1.3650 -1.0822 -1.0822 -0.8790 -0.8790 -0.7067 -0.7067 -0.6153 -0.6153 -0.3603 -0.3603 0.0110 0.0110 0.6161 0.6161 0.6950 0.6950 1.2177 1.2177 1.7435 1.7435 1.8189 1.8189 1.9260 1.9260 1.9969 1.9969 2.1451 2.1451 2.4131 2.4131 4.4367 4.4367 5.2550 5.2550 5.4534 5.4534 5.5036 5.5036 5.5398 5.5398 5.7172 5.7172 5.8569 5.8569 5.9366 5.9366 6.6374 6.6374 6.9339 6.9339 k = 0.3276 0.5000-0.0000 ( 13402 PWs) bands (ev): -16.9764 -16.9764 -16.9670 -16.9670 -16.8702 -16.8702 -15.2245 -15.2245 -15.1470 -15.1470 -15.0459 -15.0459 -13.3784 -13.3784 -7.2946 -7.2946 -6.8830 -6.8830 -6.6573 -6.6573 -3.1923 -3.1923 -3.1642 -3.1642 -2.3401 -2.3401 -2.1231 -2.1231 -2.0507 -2.0507 -1.7957 -1.7957 -1.4918 -1.4918 -1.3571 -1.3571 -1.0775 -1.0775 -0.8833 -0.8833 -0.7082 -0.7082 -0.6247 -0.6247 -0.3478 -0.3478 0.0078 0.0078 0.6233 0.6233 0.6974 0.6974 1.2423 1.2423 1.7158 1.7158 1.7993 1.7993 1.9391 1.9391 1.9979 1.9979 2.1401 2.1401 2.4163 2.4163 4.4637 4.4637 5.2661 5.2661 5.4691 5.4691 5.4897 5.4897 5.5400 5.5400 5.7114 5.7114 5.8702 5.8702 5.9729 5.9729 6.6470 6.6470 6.9538 6.9538 k = 0.3448 0.5000-0.0000 ( 13390 PWs) bands (ev): -16.9757 -16.9757 -16.9609 -16.9609 -16.8730 -16.8730 -15.2252 -15.2252 -15.1535 -15.1535 -15.0458 -15.0458 -13.3788 -13.3788 -7.2988 -7.2988 -6.8503 -6.8503 -6.6562 -6.6562 -3.2200 -3.2200 -3.1931 -3.1931 -2.3290 -2.3290 -2.1241 -2.1241 -2.0625 -2.0625 -1.8108 -1.8108 -1.4777 -1.4777 -1.3494 -1.3494 -1.0727 -1.0727 -0.8879 -0.8879 -0.7131 -0.7131 -0.6308 -0.6308 -0.3357 -0.3357 0.0037 0.0037 0.6302 0.6302 0.6996 0.6996 1.2654 1.2654 1.6899 1.6899 1.7802 1.7802 1.9510 1.9510 1.9990 1.9990 2.1354 2.1354 2.4196 2.4196 4.4893 4.4893 5.2769 5.2769 5.4759 5.4759 5.4848 5.4848 5.5402 5.5402 5.7051 5.7051 5.8828 5.8828 6.0100 6.0100 6.6481 6.6481 6.9790 6.9790 k = 0.3621 0.5000-0.0000 ( 13404 PWs) bands (ev): -16.9750 -16.9750 -16.9548 -16.9548 -16.8760 -16.8760 -15.2258 -15.2258 -15.1596 -15.1596 -15.0458 -15.0458 -13.3792 -13.3792 -7.3028 -7.3028 -6.8191 -6.8191 -6.6554 -6.6554 -3.2701 -3.2701 -3.1961 -3.1961 -2.3181 -2.3181 -2.1261 -2.1261 -2.0742 -2.0742 -1.8240 -1.8240 -1.4628 -1.4628 -1.3419 -1.3419 -1.0679 -1.0679 -0.8929 -0.8929 -0.7210 -0.7210 -0.6339 -0.6339 -0.3243 -0.3243 -0.0011 -0.0011 0.6366 0.6366 0.7015 0.7015 1.2869 1.2869 1.6661 1.6661 1.7618 1.7618 1.9616 1.9616 2.0004 2.0004 2.1309 2.1309 2.4229 2.4229 4.5131 4.5131 5.2872 5.2872 5.4626 5.4626 5.5002 5.5002 5.5404 5.5404 5.6983 5.6983 5.8946 5.8946 6.0475 6.0475 6.6420 6.6420 7.0075 7.0075 k = 0.3793 0.5000-0.0000 ( 13412 PWs) bands (ev): -16.9744 -16.9744 -16.9487 -16.9487 -16.8792 -16.8792 -15.2264 -15.2264 -15.1651 -15.1651 -15.0457 -15.0457 -13.3795 -13.3795 -7.3064 -7.3064 -6.7900 -6.7900 -6.6547 -6.6547 -3.3166 -3.3166 -3.1983 -3.1983 -2.3076 -2.3076 -2.1288 -2.1288 -2.0856 -2.0856 -1.8351 -1.8351 -1.4475 -1.4475 -1.3348 -1.3348 -1.0630 -1.0630 -0.8980 -0.8980 -0.7308 -0.7308 -0.6347 -0.6347 -0.3136 -0.3136 -0.0064 -0.0064 0.6425 0.6425 0.7032 0.7032 1.3065 1.3065 1.6448 1.6448 1.7443 1.7443 1.9708 1.9708 2.0020 2.0020 2.1269 2.1269 2.4261 2.4261 4.5349 4.5349 5.2971 5.2971 5.4499 5.4499 5.5150 5.5150 5.5407 5.5407 5.6910 5.6910 5.9053 5.9053 6.0852 6.0852 6.6304 6.6304 7.0371 7.0371 k = 0.3966 0.5000-0.0000 ( 13400 PWs) bands (ev): -16.9739 -16.9739 -16.9426 -16.9426 -16.8827 -16.8827 -15.2269 -15.2269 -15.1701 -15.1701 -15.0456 -15.0456 -13.3798 -13.3798 -7.3097 -7.3097 -6.7634 -6.7634 -6.6542 -6.6542 -3.3584 -3.3584 -3.2003 -3.2003 -2.2976 -2.2976 -2.1321 -2.1321 -2.0964 -2.0964 -1.8443 -1.8443 -1.4326 -1.4326 -1.3283 -1.3283 -1.0581 -1.0581 -0.9031 -0.9031 -0.7414 -0.7414 -0.6343 -0.6343 -0.3038 -0.3038 -0.0118 -0.0118 0.6478 0.6478 0.7048 0.7048 1.3241 1.3241 1.6261 1.6261 1.7281 1.7281 1.9783 1.9783 2.0040 2.0040 2.1232 2.1232 2.4291 2.4291 4.5544 4.5544 5.3066 5.3066 5.4379 5.4379 5.5286 5.5286 5.5419 5.5419 5.6832 5.6832 5.9150 5.9150 6.1225 6.1225 6.6146 6.6146 7.0660 7.0660 k = 0.4138 0.5000-0.0000 ( 13392 PWs) bands (ev): -16.9735 -16.9735 -16.9366 -16.9366 -16.8865 -16.8865 -15.2274 -15.2274 -15.1743 -15.1743 -15.0456 -15.0456 -13.3801 -13.3801 -7.3124 -7.3124 -6.7398 -6.7398 -6.6539 -6.6539 -3.3950 -3.3950 -3.2019 -3.2019 -2.2884 -2.2884 -2.1358 -2.1358 -2.1062 -2.1062 -1.8519 -1.8519 -1.4186 -1.4186 -1.3225 -1.3225 -1.0534 -1.0534 -0.9081 -0.9081 -0.7518 -0.7518 -0.6332 -0.6332 -0.2951 -0.2951 -0.0172 -0.0172 0.6524 0.6524 0.7061 0.7061 1.3394 1.3394 1.6103 1.6103 1.7133 1.7133 1.9841 1.9841 2.0065 2.0065 2.1200 2.1200 2.4319 2.4319 4.5713 4.5713 5.3155 5.3155 5.4266 5.4266 5.5365 5.5365 5.5483 5.5483 5.6750 5.6750 5.9233 5.9233 6.1588 6.1588 6.5961 6.5961 7.0927 7.0927 k = 0.4310 0.5000-0.0000 ( 13394 PWs) bands (ev): -16.9731 -16.9731 -16.9308 -16.9308 -16.8905 -16.8905 -15.2278 -15.2278 -15.1779 -15.1779 -15.0456 -15.0456 -13.3803 -13.3803 -7.3147 -7.3147 -6.7194 -6.7194 -6.6540 -6.6540 -3.4258 -3.4258 -3.2033 -3.2033 -2.2801 -2.2801 -2.1395 -2.1395 -2.1147 -2.1147 -1.8578 -1.8578 -1.4060 -1.4060 -1.3176 -1.3176 -1.0490 -1.0490 -0.9128 -0.9128 -0.7613 -0.7613 -0.6319 -0.6319 -0.2875 -0.2875 -0.0222 -0.0222 0.6563 0.6563 0.7072 0.7072 1.3523 1.3523 1.5975 1.5975 1.7005 1.7005 1.9882 1.9882 2.0092 2.0092 2.1173 2.1173 2.4342 2.4342 4.5854 4.5854 5.3238 5.3238 5.4162 5.4162 5.5380 5.5380 5.5603 5.5603 5.6664 5.6664 5.9303 5.9303 6.1932 6.1932 6.5759 6.5759 7.1160 7.1160 k = 0.4483 0.5000-0.0000 ( 13394 PWs) bands (ev): -16.9728 -16.9728 -16.9250 -16.9250 -16.8947 -16.8947 -15.2281 -15.2281 -15.1808 -15.1808 -15.0455 -15.0455 -13.3805 -13.3805 -7.3166 -7.3166 -6.7026 -6.7026 -6.6546 -6.6546 -3.4502 -3.4502 -3.2043 -3.2043 -2.2731 -2.2731 -2.1429 -2.1429 -2.1217 -2.1217 -1.8623 -1.8623 -1.3955 -1.3955 -1.3137 -1.3137 -1.0451 -1.0451 -0.9168 -0.9168 -0.7694 -0.7694 -0.6307 -0.6307 -0.2813 -0.2813 -0.0266 -0.0266 0.6593 0.6593 0.7082 0.7082 1.3625 1.3625 1.5877 1.5877 1.6898 1.6898 1.9909 1.9909 2.0118 2.0118 2.1151 2.1151 2.4362 2.4362 4.5966 4.5966 5.3315 5.3315 5.4070 5.4070 5.5383 5.5383 5.5727 5.5727 5.6576 5.6576 5.9358 5.9358 6.2244 6.2244 6.5558 6.5558 7.1349 7.1349 k = 0.4655 0.5000-0.0000 ( 13406 PWs) bands (ev): -16.9726 -16.9726 -16.9195 -16.9195 -16.8992 -16.8992 -15.2283 -15.2283 -15.1828 -15.1828 -15.0455 -15.0455 -13.3806 -13.3806 -7.3179 -7.3179 -6.6897 -6.6897 -6.6556 -6.6556 -3.4680 -3.4680 -3.2051 -3.2051 -2.2677 -2.2677 -2.1456 -2.1456 -2.1271 -2.1271 -1.8654 -1.8654 -1.3877 -1.3877 -1.3108 -1.3108 -1.0421 -1.0421 -0.9200 -0.9200 -0.7754 -0.7754 -0.6298 -0.6298 -0.2768 -0.2768 -0.0299 -0.0299 0.6615 0.6615 0.7088 0.7088 1.3699 1.3699 1.5809 1.5809 1.6819 1.6819 1.9926 1.9926 2.0140 2.0140 2.1135 2.1135 2.4376 2.4376 4.6047 4.6047 5.3380 5.3380 5.3993 5.3993 5.5384 5.5384 5.5838 5.5838 5.6493 5.6493 5.9398 5.9398 6.2502 6.2502 6.5379 6.5379 7.1489 7.1489 k = 0.4828 0.5000-0.0000 ( 13434 PWs) bands (ev): -16.9724 -16.9724 -16.9141 -16.9141 -16.9039 -16.9039 -15.2284 -15.2284 -15.1840 -15.1840 -15.0455 -15.0455 -13.3807 -13.3807 -7.3187 -7.3187 -6.6812 -6.6812 -6.6570 -6.6570 -3.4787 -3.4787 -3.2056 -3.2056 -2.2643 -2.2643 -2.1473 -2.1473 -2.1304 -2.1304 -1.8672 -1.8672 -1.3827 -1.3827 -1.3091 -1.3091 -1.0402 -1.0402 -0.9220 -0.9220 -0.7792 -0.7792 -0.6292 -0.6292 -0.2739 -0.2739 -0.0321 -0.0321 0.6628 0.6628 0.7093 0.7093 1.3744 1.3744 1.5768 1.5768 1.6769 1.6769 1.9935 1.9935 2.0154 2.0154 2.1126 2.1126 2.4385 2.4385 4.6095 4.6095 5.3426 5.3426 5.3939 5.3939 5.5384 5.5384 5.5923 5.5923 5.6424 5.6424 5.9422 5.9422 6.2679 6.2679 6.5249 6.5249 7.1575 7.1575 k = 0.5000 0.5000-0.0000 ( 13448 PWs) bands (ev): -16.9724 -16.9724 -16.9094 -16.9094 -16.9084 -16.9084 -15.2285 -15.2285 -15.1845 -15.1845 -15.0455 -15.0455 -13.3807 -13.3807 -7.3190 -7.3190 -6.6780 -6.6780 -6.6577 -6.6577 -3.4823 -3.4823 -3.2057 -3.2057 -2.2631 -2.2631 -2.1479 -2.1479 -2.1315 -2.1315 -1.8679 -1.8679 -1.3811 -1.3811 -1.3085 -1.3085 -1.0395 -1.0395 -0.9227 -0.9227 -0.7805 -0.7805 -0.6290 -0.6290 -0.2730 -0.2730 -0.0328 -0.0328 0.6633 0.6633 0.7094 0.7094 1.3759 1.3759 1.5755 1.5755 1.6752 1.6752 1.9938 1.9938 2.0159 2.0159 2.1123 2.1123 2.4388 2.4388 4.6112 4.6112 5.3444 5.3444 5.3919 5.3919 5.5384 5.5384 5.5957 5.5957 5.6395 5.6395 5.9430 5.9430 6.2743 6.2743 6.5201 6.5201 7.1604 7.1604 k = 0.5000 0.5000-0.0000 ( 13448 PWs) bands (ev): -16.9724 -16.9724 -16.9094 -16.9094 -16.9084 -16.9084 -15.2285 -15.2285 -15.1845 -15.1845 -15.0455 -15.0455 -13.3807 -13.3807 -7.3190 -7.3190 -6.6780 -6.6780 -6.6577 -6.6577 -3.4823 -3.4823 -3.2057 -3.2057 -2.2631 -2.2631 -2.1479 -2.1479 -2.1315 -2.1315 -1.8679 -1.8679 -1.3811 -1.3811 -1.3085 -1.3085 -1.0395 -1.0395 -0.9227 -0.9227 -0.7805 -0.7805 -0.6290 -0.6290 -0.2730 -0.2730 -0.0328 -0.0328 0.6633 0.6633 0.7094 0.7094 1.3759 1.3759 1.5755 1.5755 1.6752 1.6752 1.9938 1.9938 2.0159 2.0159 2.1123 2.1123 2.4388 2.4388 4.6112 4.6112 5.3444 5.3444 5.3919 5.3919 5.5384 5.5384 5.5957 5.5957 5.6395 5.6395 5.9430 5.9430 6.2743 6.2743 6.5201 6.5201 7.1604 7.1604 k = 0.4878 0.4878-0.0000 ( 13434 PWs) bands (ev): -16.9726 -16.9726 -16.9125 -16.9125 -16.9054 -16.9054 -15.2282 -15.2282 -15.1843 -15.1843 -15.0455 -15.0455 -13.3807 -13.3807 -7.3188 -7.3188 -6.6797 -6.6797 -6.6583 -6.6583 -3.4803 -3.4803 -3.2040 -3.2040 -2.2642 -2.2642 -2.1473 -2.1473 -2.1307 -2.1307 -1.8673 -1.8673 -1.3846 -1.3846 -1.3060 -1.3060 -1.0397 -1.0397 -0.9221 -0.9221 -0.7797 -0.7797 -0.6301 -0.6301 -0.2736 -0.2736 -0.0332 -0.0332 0.6628 0.6628 0.7093 0.7093 1.3742 1.3742 1.5776 1.5776 1.6768 1.6768 1.9939 1.9939 2.0156 2.0156 2.1125 2.1125 2.4380 2.4380 4.6096 4.6096 5.3436 5.3436 5.3928 5.3928 5.5379 5.5379 5.5940 5.5940 5.6412 5.6412 5.9423 5.9423 6.2710 6.2710 6.5208 6.5208 7.1584 7.1584 k = 0.4756 0.4756-0.0000 ( 13418 PWs) bands (ev): -16.9733 -16.9733 -16.9161 -16.9161 -16.9020 -16.9020 -15.2274 -15.2274 -15.1837 -15.1837 -15.0455 -15.0455 -13.3806 -13.3806 -7.3185 -7.3185 -6.6844 -6.6844 -6.6602 -6.6602 -3.4740 -3.4740 -3.1988 -3.1988 -2.2674 -2.2674 -2.1455 -2.1455 -2.1283 -2.1283 -1.8657 -1.8657 -1.3941 -1.3941 -1.2996 -1.2996 -1.0404 -1.0404 -0.9203 -0.9203 -0.7770 -0.7770 -0.6331 -0.6331 -0.2754 -0.2754 -0.0342 -0.0342 0.6615 0.6615 0.7088 0.7088 1.3692 1.3692 1.5839 1.5839 1.6818 1.6818 1.9940 1.9940 2.0148 2.0148 2.1132 2.1132 2.4357 2.4357 4.6050 4.6050 5.3413 5.3413 5.3953 5.3953 5.5362 5.5362 5.5892 5.5892 5.6456 5.6456 5.9402 5.9402 6.2616 6.2616 6.5226 6.5226 7.1526 7.1526 k = 0.4634 0.4634-0.0000 ( 13410 PWs) bands (ev): -16.9744 -16.9744 -16.9195 -16.9195 -16.8987 -16.8987 -15.2261 -15.2261 -15.1828 -15.1828 -15.0455 -15.0455 -13.3804 -13.3804 -7.3179 -7.3179 -6.6919 -6.6919 -6.6636 -6.6636 -3.4637 -3.4637 -3.1902 -3.1902 -2.2725 -2.2725 -2.1430 -2.1430 -2.1241 -2.1241 -1.8631 -1.8631 -1.4074 -1.4074 -1.2913 -1.2913 -1.0415 -1.0415 -0.9176 -0.9176 -0.7728 -0.7728 -0.6377 -0.6377 -0.2786 -0.2786 -0.0356 -0.0356 0.6594 0.6594 0.7081 0.7081 1.3612 1.3612 1.5943 1.5943 1.6896 1.6896 1.9940 1.9940 2.0138 2.0138 2.1145 2.1145 2.4318 2.4318 4.5973 4.5973 5.3379 5.3379 5.3992 5.3992 5.5335 5.5335 5.5826 5.5826 5.6517 5.6517 5.9367 5.9367 6.2469 6.2469 6.5249 6.5249 7.1430 7.1430 k = 0.4512 0.4512-0.0000 ( 13410 PWs) bands (ev): -16.9761 -16.9761 -16.9226 -16.9226 -16.8957 -16.8957 -15.2242 -15.2242 -15.1815 -15.1815 -15.0455 -15.0455 -13.3802 -13.3802 -7.3170 -7.3170 -6.7020 -6.7020 -6.6686 -6.6686 -3.4494 -3.4494 -3.1783 -3.1783 -2.2792 -2.2792 -2.1401 -2.1401 -2.1178 -2.1178 -1.8595 -1.8595 -1.4230 -1.4230 -1.2824 -1.2824 -1.0430 -1.0430 -0.9143 -0.9143 -0.7674 -0.7674 -0.6433 -0.6433 -0.2832 -0.2832 -0.0370 -0.0370 0.6564 0.6564 0.7070 0.7070 1.3502 1.3502 1.6084 1.6084 1.7002 1.7002 1.9934 1.9934 2.0130 2.0130 2.1161 2.1161 2.4264 2.4264 4.5865 4.5865 5.3338 5.3338 5.4040 5.4040 5.5296 5.5296 5.5748 5.5748 5.6587 5.6587 5.9316 5.9316 6.2279 6.2279 6.5268 6.5268 7.1296 7.1296 k = 0.4390 0.4390-0.0000 ( 13402 PWs) bands (ev): -16.9785 -16.9785 -16.9254 -16.9254 -16.8929 -16.8929 -15.2219 -15.2219 -15.1798 -15.1798 -15.0455 -15.0455 -13.3800 -13.3800 -7.3160 -7.3160 -6.7144 -6.7144 -6.6753 -6.6753 -3.4313 -3.4313 -3.1631 -3.1631 -2.2874 -2.2874 -2.1372 -2.1372 -2.1094 -2.1094 -1.8549 -1.8549 -1.4402 -1.4402 -1.2738 -1.2738 -1.0448 -1.0448 -0.9111 -0.9111 -0.7613 -0.7613 -0.6489 -0.6489 -0.2893 -0.2893 -0.0378 -0.0378 0.6525 0.6525 0.7056 0.7056 1.3367 1.3367 1.6258 1.6258 1.7130 1.7130 1.9916 1.9916 2.0130 2.0130 2.1182 2.1182 2.4194 2.4194 4.5725 4.5725 5.3294 5.3294 5.4096 5.4096 5.5245 5.5245 5.5663 5.5663 5.6662 5.6662 5.9250 5.9250 6.2058 6.2058 6.5275 6.5275 7.1125 7.1125 k = 0.4268 0.4268-0.0000 ( 13398 PWs) bands (ev): -16.9816 -16.9816 -16.9277 -16.9277 -16.8903 -16.8903 -15.2190 -15.2190 -15.1778 -15.1778 -15.0455 -15.0455 -13.3797 -13.3797 -7.3148 -7.3148 -6.7289 -6.7289 -6.6836 -6.6836 -3.4095 -3.4095 -3.1449 -3.1449 -2.2969 -2.2969 -2.1344 -2.1344 -2.0989 -2.0989 -1.8494 -1.8494 -1.4585 -1.4585 -1.2655 -1.2655 -1.0470 -1.0470 -0.9084 -0.9084 -0.7557 -0.7557 -0.6526 -0.6526 -0.2970 -0.2970 -0.0376 -0.0376 0.6479 0.6479 0.7038 0.7038 1.3209 1.3209 1.6461 1.6461 1.7276 1.7276 1.9883 1.9883 2.0141 2.0141 2.1207 2.1207 2.4110 2.4110 4.5553 4.5553 5.3248 5.3248 5.4158 5.4158 5.5184 5.5184 5.5572 5.5572 5.6741 5.6741 5.9165 5.9165 6.1816 6.1816 6.5265 6.5265 7.0919 7.0919 k = 0.4146 0.4146-0.0000 ( 13394 PWs) bands (ev): -16.9854 -16.9854 -16.9294 -16.9294 -16.8880 -16.8880 -15.2157 -15.2157 -15.1754 -15.1754 -15.0455 -15.0455 -13.3794 -13.3794 -7.3134 -7.3134 -6.7453 -6.7453 -6.6935 -6.6935 -3.3843 -3.3843 -3.1237 -3.1237 -2.3073 -2.3073 -2.1319 -2.1319 -2.0864 -2.0864 -1.8430 -1.8430 -1.4775 -1.4775 -1.2580 -1.2580 -1.0496 -1.0496 -0.9070 -0.9070 -0.7518 -0.7518 -0.6525 -0.6525 -0.3061 -0.3061 -0.0362 -0.0362 0.6424 0.6424 0.7017 0.7017 1.3031 1.3031 1.6687 1.6687 1.7439 1.7439 1.9836 1.9836 2.0164 2.0164 2.1235 2.1235 2.4012 2.4012 4.5348 4.5348 5.3203 5.3203 5.4225 5.4225 5.5111 5.5111 5.5477 5.5477 5.6822 5.6822 5.9060 5.9060 6.1564 6.1564 6.5231 6.5231 7.0679 7.0679 k = 0.4024 0.4024-0.0000 ( 13407 PWs) bands (ev): -16.9900 -16.9900 -16.9306 -16.9306 -16.8859 -16.8859 -15.2120 -15.2120 -15.1727 -15.1727 -15.0456 -15.0456 -13.3791 -13.3791 -7.3118 -7.3118 -6.7634 -6.7634 -6.7048 -6.7048 -3.3560 -3.3560 -3.0998 -3.0998 -2.3186 -2.3186 -2.1296 -2.1296 -2.0721 -2.0721 -1.8358 -1.8358 -1.4969 -1.4969 -1.2513 -1.2513 -1.0529 -1.0529 -0.9077 -0.9077 -0.7501 -0.7501 -0.6470 -0.6470 -0.3163 -0.3163 -0.0333 -0.0333 0.6362 0.6362 0.6993 0.6993 1.2835 1.2835 1.6929 1.6929 1.7614 1.7614 1.9776 1.9776 2.0195 2.0195 2.1268 2.1268 2.3899 2.3899 4.5110 4.5110 5.3159 5.3159 5.4295 5.4295 5.5030 5.5030 5.5378 5.5378 5.6904 5.6904 5.8933 5.8933 6.1313 6.1313 6.5170 6.5170 7.0406 7.0406 k = 0.3902 0.3902-0.0000 ( 13401 PWs) bands (ev): -16.9953 -16.9953 -16.9313 -16.9313 -16.8841 -16.8841 -15.2078 -15.2078 -15.1696 -15.1696 -15.0456 -15.0456 -13.3788 -13.3788 -7.3101 -7.3101 -6.7831 -6.7831 -6.7173 -6.7173 -3.3247 -3.3247 -3.0732 -3.0732 -2.3305 -2.3305 -2.1275 -2.1275 -2.0561 -2.0561 -1.8279 -1.8279 -1.5164 -1.5164 -1.2457 -1.2457 -1.0571 -1.0571 -0.9111 -0.9111 -0.7496 -0.7496 -0.6360 -0.6360 -0.3274 -0.3274 -0.0290 -0.0290 0.6293 0.6293 0.6965 0.6965 1.2624 1.2624 1.7183 1.7183 1.7799 1.7799 1.9708 1.9708 2.0234 2.0234 2.1303 2.1303 2.3774 2.3774 4.4839 4.4839 5.3117 5.3117 5.4365 5.4365 5.4942 5.4942 5.5274 5.5274 5.6989 5.6989 5.8782 5.8782 6.1071 6.1071 6.5081 6.5081 7.0102 7.0102 k = 0.3780 0.3780-0.0000 ( 13417 PWs) bands (ev): -17.0011 -17.0011 -16.9314 -16.9314 -16.8825 -16.8825 -15.2032 -15.2032 -15.1662 -15.1662 -15.0456 -15.0456 -13.3784 -13.3784 -7.3084 -7.3084 -6.8041 -6.8041 -6.7309 -6.7309 -3.2909 -3.2909 -3.0444 -3.0444 -2.3429 -2.3429 -2.1257 -2.1257 -2.0385 -2.0385 -1.8194 -1.8194 -1.5358 -1.5358 -1.2413 -1.2413 -1.0624 -1.0624 -0.9175 -0.9175 -0.7484 -0.7484 -0.6205 -0.6205 -0.3389 -0.3389 -0.0233 -0.0233 0.6218 0.6218 0.6933 0.6933 1.2398 1.2398 1.7443 1.7443 1.7990 1.7990 1.9631 1.9631 2.0278 2.0278 2.1342 2.1342 2.3635 2.3635 4.4535 4.4535 5.3079 5.3079 5.4427 5.4427 5.4858 5.4858 5.5168 5.5168 5.7074 5.7074 5.8606 5.8606 6.0846 6.0846 6.4962 6.4962 6.9770 6.9770 k = 0.3659 0.3659-0.0000 ( 13415 PWs) bands (ev): -17.0075 -17.0075 -16.9312 -16.9312 -16.8812 -16.8812 -15.1983 -15.1983 -15.1626 -15.1626 -15.0456 -15.0456 -13.3782 -13.3782 -7.3066 -7.3066 -6.8263 -6.8263 -6.7454 -6.7454 -3.2548 -3.2548 -3.0133 -3.0133 -2.3556 -2.3556 -2.1243 -2.1243 -2.0195 -2.0195 -1.8105 -1.8105 -1.5549 -1.5549 -1.2385 -1.2385 -1.0690 -1.0690 -0.9265 -0.9265 -0.7450 -0.7450 -0.6020 -0.6020 -0.3503 -0.3503 -0.0163 -0.0163 0.6136 0.6136 0.6897 0.6897 1.2160 1.2160 1.7705 1.7705 1.8185 1.8185 1.9547 1.9547 2.0327 2.0327 2.1384 2.1384 2.3484 2.3484 4.4198 4.4198 5.3044 5.3044 5.4455 5.4455 5.4800 5.4800 5.5058 5.5058 5.7161 5.7161 5.8407 5.8407 6.0641 6.0641 6.4813 6.4813 6.9411 6.9411 k = 0.3537 0.3537-0.0000 ( 13427 PWs) bands (ev): -17.0143 -17.0143 -16.9306 -16.9306 -16.8801 -16.8801 -15.1930 -15.1930 -15.1586 -15.1586 -15.0456 -15.0456 -13.3779 -13.3779 -7.3048 -7.3048 -6.8495 -6.8495 -6.7605 -6.7605 -3.2169 -3.2169 -2.9804 -2.9804 -2.3685 -2.3685 -2.1232 -2.1232 -1.9992 -1.9992 -1.8013 -1.8013 -1.5733 -1.5733 -1.2378 -1.2378 -1.0772 -1.0772 -0.9366 -0.9366 -0.7387 -0.7387 -0.5818 -0.5818 -0.3607 -0.3607 -0.0082 -0.0082 0.6048 0.6048 0.6858 0.6858 1.1910 1.1910 1.7967 1.7967 1.8379 1.8379 1.9458 1.9458 2.0379 2.0379 2.1429 2.1429 2.3322 2.3322 4.3830 4.3830 5.3013 5.3013 5.4414 5.4414 5.4801 5.4801 5.4951 5.4951 5.7247 5.7247 5.8189 5.8189 6.0460 6.0460 6.4633 6.4633 6.9028 6.9028 k = 0.3415 0.3415-0.0000 ( 13425 PWs) bands (ev): -17.0215 -17.0215 -16.9297 -16.9297 -16.8793 -16.8793 -15.1875 -15.1875 -15.1544 -15.1544 -15.0457 -15.0457 -13.3777 -13.3777 -7.3030 -7.3030 -6.8735 -6.8735 -6.7762 -6.7762 -3.1774 -3.1774 -2.9458 -2.9458 -2.3814 -2.3814 -2.1224 -2.1224 -1.9779 -1.9779 -1.7922 -1.7922 -1.5905 -1.5905 -1.2401 -1.2401 -1.0866 -1.0866 -0.9464 -0.9464 -0.7296 -0.7296 -0.5611 -0.5611 -0.3695 -0.3695 0.0009 0.0009 0.5955 0.5955 0.6816 0.6816 1.1650 1.1650 1.8224 1.8224 1.8569 1.8569 1.9364 1.9364 2.0435 2.0435 2.1476 2.1476 2.3150 2.3150 4.3429 4.3429 5.2984 5.2984 5.4312 5.4312 5.4790 5.4790 5.4909 5.4909 5.7333 5.7333 5.7959 5.7959 6.0302 6.0302 6.4424 6.4424 6.8622 6.8622 k = 0.3293 0.3293-0.0000 ( 13423 PWs) bands (ev): -17.0290 -17.0290 -16.9286 -16.9286 -16.8786 -16.8786 -15.1816 -15.1816 -15.1499 -15.1499 -15.0457 -15.0457 -13.3776 -13.3776 -7.3014 -7.3014 -6.8981 -6.8981 -6.7922 -6.7922 -3.1367 -3.1367 -2.9099 -2.9099 -2.3942 -2.3942 -2.1220 -2.1220 -1.9557 -1.9557 -1.7835 -1.7835 -1.6061 -1.6061 -1.2462 -1.2462 -1.0965 -1.0965 -0.9547 -0.9547 -0.7180 -0.7180 -0.5416 -0.5416 -0.3751 -0.3751 0.0108 0.0108 0.5857 0.5857 0.6770 0.6770 1.1381 1.1381 1.8476 1.8476 1.8750 1.8750 1.9267 1.9267 2.0493 2.0493 2.1526 2.1526 2.2970 2.2970 4.2999 4.2999 5.2957 5.2957 5.4179 5.4179 5.4683 5.4683 5.4986 5.4986 5.7409 5.7409 5.7734 5.7734 6.0164 6.0164 6.4187 6.4187 6.8197 6.8197 k = 0.3171 0.3171-0.0000 ( 13405 PWs) bands (ev): -17.0366 -17.0366 -16.9273 -16.9273 -16.8782 -16.8782 -15.1755 -15.1755 -15.1452 -15.1452 -15.0457 -15.0457 -13.3775 -13.3775 -7.2999 -7.2999 -6.9232 -6.9232 -6.8083 -6.8083 -3.0954 -3.0954 -2.8728 -2.8728 -2.4066 -2.4066 -2.1219 -2.1219 -1.9329 -1.9329 -1.7759 -1.7759 -1.6194 -1.6194 -1.2569 -1.2569 -1.1056 -1.1056 -0.9608 -0.9608 -0.7045 -0.7045 -0.5253 -0.5253 -0.3756 -0.3756 0.0213 0.0213 0.5754 0.5754 0.6720 0.6720 1.1104 1.1104 1.8717 1.8717 1.8917 1.8917 1.9171 1.9171 2.0551 2.0551 2.1577 2.1577 2.2783 2.2783 4.2540 4.2540 5.2930 5.2930 5.4030 5.4030 5.4560 5.4560 5.5089 5.5089 5.7402 5.7402 5.7597 5.7597 6.0044 6.0044 6.3924 6.3924 6.7756 6.7756 k = 0.3049 0.3049-0.0000 ( 13399 PWs) bands (ev): -17.0444 -17.0444 -16.9257 -16.9257 -16.8779 -16.8779 -15.1692 -15.1692 -15.1403 -15.1403 -15.0457 -15.0457 -13.3776 -13.3776 -7.2985 -7.2985 -6.9485 -6.9485 -6.8243 -6.8243 -3.0538 -3.0538 -2.8350 -2.8350 -2.4184 -2.4184 -2.1222 -2.1222 -1.9098 -1.9098 -1.7702 -1.7702 -1.6295 -1.6295 -1.2723 -1.2723 -1.1127 -1.1127 -0.9646 -0.9646 -0.6898 -0.6898 -0.5139 -0.5139 -0.3691 -0.3691 0.0325 0.0325 0.5648 0.5648 0.6667 0.6667 1.0821 1.0821 1.8934 1.8934 1.9018 1.9018 1.9138 1.9138 2.0609 2.0609 2.1630 2.1630 2.2591 2.2591 4.2054 4.2054 5.2902 5.2902 5.3871 5.3871 5.4433 5.4433 5.5200 5.5200 5.7223 5.7223 5.7643 5.7643 5.9937 5.9937 6.3635 6.3635 6.7299 6.7299 k = 0.2927 0.2927-0.0000 ( 13399 PWs) bands (ev): -17.0523 -17.0523 -16.9241 -16.9241 -16.8779 -16.8779 -15.1628 -15.1628 -15.1353 -15.1353 -15.0458 -15.0458 -13.3777 -13.3777 -7.2975 -7.2975 -6.9740 -6.9740 -6.8401 -6.8401 -3.0124 -3.0124 -2.7966 -2.7966 -2.4292 -2.4292 -2.1229 -2.1229 -1.8869 -1.8869 -1.7672 -1.7672 -1.6353 -1.6353 -1.2917 -1.2917 -1.1176 -1.1176 -0.9663 -0.9663 -0.6744 -0.6744 -0.5080 -0.5080 -0.3547 -0.3547 0.0442 0.0442 0.5537 0.5537 0.6611 0.6611 1.0531 1.0531 1.8927 1.8927 1.9121 1.9121 1.9295 1.9295 2.0665 2.0665 2.1682 2.1682 2.2400 2.2400 4.1542 4.1542 5.2871 5.2871 5.3706 5.3706 5.4303 5.4303 5.5313 5.5313 5.7028 5.7028 5.7727 5.7727 5.9842 5.9842 6.3325 6.3325 6.6831 6.6831 k = 0.2805 0.2805-0.0000 ( 13389 PWs) bands (ev): -17.0602 -17.0602 -16.9224 -16.9224 -16.8779 -16.8779 -15.1562 -15.1562 -15.1301 -15.1301 -15.0458 -15.0458 -13.3780 -13.3780 -7.2968 -7.2968 -6.9994 -6.9994 -6.8555 -6.8555 -2.9720 -2.9720 -2.7580 -2.7580 -2.4388 -2.4388 -2.1239 -2.1239 -1.8648 -1.8648 -1.7677 -1.7677 -1.6362 -1.6362 -1.3135 -1.3135 -1.1205 -1.1205 -0.9662 -0.9662 -0.6596 -0.6596 -0.5060 -0.5060 -0.3335 -0.3335 0.0565 0.0565 0.5424 0.5424 0.6552 0.6552 1.0237 1.0237 1.8822 1.8822 1.9240 1.9240 1.9502 1.9502 2.0714 2.0714 2.1729 2.1729 2.2217 2.2217 4.1008 4.1008 5.2834 5.2834 5.3538 5.3538 5.4171 5.4171 5.5424 5.5424 5.6855 5.6855 5.7816 5.7816 5.9755 5.9755 6.2995 6.2995 6.6354 6.6354 k = 0.2683 0.2683-0.0000 ( 13379 PWs) bands (ev): -17.0681 -17.0681 -16.9205 -16.9205 -16.8782 -16.8782 -15.1494 -15.1494 -15.1248 -15.1248 -15.0458 -15.0458 -13.3783 -13.3783 -7.2964 -7.2964 -7.0247 -7.0247 -6.8703 -6.8703 -2.9331 -2.9331 -2.7196 -2.7196 -2.4465 -2.4465 -2.1253 -2.1253 -1.8440 -1.8440 -1.7713 -1.7713 -1.6321 -1.6321 -1.3361 -1.3361 -1.1218 -1.1218 -0.9645 -0.9645 -0.6467 -0.6467 -0.5047 -0.5047 -0.3072 -0.3072 0.0692 0.0692 0.5308 0.5308 0.6489 0.6489 0.9940 0.9940 1.8712 1.8712 1.9317 1.9317 1.9719 1.9719 2.0751 2.0751 2.1755 2.1755 2.2066 2.2066 4.0453 4.0453 5.2790 5.2790 5.3371 5.3371 5.4038 5.4038 5.5528 5.5528 5.6717 5.6717 5.7906 5.7906 5.9676 5.9676 6.2648 6.2648 6.5871 6.5871 k = 0.2561 0.2561-0.0000 ( 13379 PWs) bands (ev): -17.0760 -17.0760 -16.9186 -16.9186 -16.8785 -16.8785 -15.1426 -15.1426 -15.1195 -15.1195 -15.0459 -15.0459 -13.3788 -13.3788 -7.2964 -7.2964 -7.0497 -7.0497 -6.8844 -6.8844 -2.8966 -2.8966 -2.6818 -2.6818 -2.4518 -2.4518 -2.1270 -2.1270 -1.8254 -1.8254 -1.7773 -1.7773 -1.6238 -1.6238 -1.3576 -1.3576 -1.1222 -1.1222 -0.9613 -0.9613 -0.6375 -0.6375 -0.5010 -0.5010 -0.2776 -0.2776 0.0823 0.0823 0.5189 0.5189 0.6424 0.6424 0.9641 0.9641 1.8601 1.8601 1.9360 1.9360 1.9933 1.9933 2.0766 2.0766 2.1716 2.1716 2.1999 2.1999 3.9880 3.9880 5.2736 5.2736 5.3209 5.3209 5.3906 5.3906 5.5616 5.5616 5.6622 5.6622 5.7997 5.7997 5.9603 5.9603 6.2287 6.2287 6.5384 6.5384 k = 0.2439 0.2439-0.0000 ( 13369 PWs) bands (ev): -17.0838 -17.0838 -16.9167 -16.9167 -16.8790 -16.8790 -15.1358 -15.1358 -15.1141 -15.1141 -15.0459 -15.0459 -13.3794 -13.3794 -7.2969 -7.2969 -7.0742 -7.0742 -6.8977 -6.8977 -2.8633 -2.8633 -2.6449 -2.6449 -2.4540 -2.4540 -2.1289 -2.1289 -1.8105 -1.8105 -1.7840 -1.7840 -1.6123 -1.6123 -1.3766 -1.3766 -1.1220 -1.1220 -0.9570 -0.9570 -0.6337 -0.6337 -0.4924 -0.4924 -0.2456 -0.2456 0.0959 0.0959 0.5069 0.5069 0.6355 0.6355 0.9340 0.9340 1.8489 1.8489 1.9371 1.9371 2.0141 2.0141 2.0745 2.0745 2.1626 2.1626 2.2020 2.2020 3.9293 3.9293 5.2669 5.2669 5.3057 5.3057 5.3774 5.3774 5.5682 5.5682 5.6576 5.6576 5.8086 5.8086 5.9535 5.9535 6.1916 6.1916 6.4897 6.4897 k = 0.2317 0.2317-0.0000 ( 13381 PWs) bands (ev): -17.0915 -17.0915 -16.9147 -16.9147 -16.8795 -16.8795 -15.1289 -15.1289 -15.1087 -15.1087 -15.0459 -15.0459 -13.3801 -13.3801 -7.2979 -7.2979 -7.0982 -7.0982 -6.9100 -6.9100 -2.8341 -2.8341 -2.6094 -2.6094 -2.4522 -2.4522 -2.1309 -2.1309 -1.8031 -1.8031 -1.7876 -1.7876 -1.5982 -1.5982 -1.3917 -1.3917 -1.1214 -1.1214 -0.9517 -0.9517 -0.6355 -0.6355 -0.4782 -0.4782 -0.2121 -0.2121 0.1099 0.1099 0.4947 0.4947 0.6284 0.6284 0.9040 0.9040 1.8378 1.8378 1.9350 1.9350 2.0338 2.0338 2.0673 2.0673 2.1555 2.1555 2.2074 2.2074 3.8694 3.8694 5.2588 5.2588 5.2920 5.2920 5.3644 5.3644 5.5722 5.5722 5.6580 5.6580 5.8174 5.8174 5.9472 5.9472 6.1538 6.1538 6.4411 6.4411 k = 0.2195 0.2195-0.0000 ( 13387 PWs) bands (ev): -17.0989 -17.0989 -16.9128 -16.9128 -16.8802 -16.8802 -15.1221 -15.1221 -15.1034 -15.1034 -15.0459 -15.0459 -13.3809 -13.3809 -7.2994 -7.2994 -7.1215 -7.1215 -6.9213 -6.9213 -2.8101 -2.8101 -2.5756 -2.5756 -2.4457 -2.4457 -2.1329 -2.1329 -1.8067 -1.8067 -1.7846 -1.7846 -1.5822 -1.5822 -1.4018 -1.4018 -1.1207 -1.1207 -0.9455 -0.9455 -0.6420 -0.6420 -0.4592 -0.4592 -0.1772 -0.1772 0.1244 0.1244 0.4824 0.4824 0.6211 0.6211 0.8741 0.8741 1.8268 1.8268 1.9297 1.9297 2.0482 2.0482 2.0590 2.0590 2.1527 2.1527 2.2139 2.2139 3.8086 3.8086 5.2492 5.2492 5.2801 5.2801 5.3516 5.3516 5.5739 5.5739 5.6628 5.6628 5.8260 5.8260 5.9413 5.9413 6.1157 6.1157 6.3930 6.3930 k = 0.2073 0.2073-0.0000 ( 13375 PWs) bands (ev): -17.1062 -17.1062 -16.9108 -16.9108 -16.8809 -16.8809 -15.1154 -15.1154 -15.0981 -15.0981 -15.0460 -15.0460 -13.3819 -13.3819 -7.3013 -7.3013 -7.1441 -7.1441 -6.9316 -6.9316 -2.7917 -2.7917 -2.5439 -2.5439 -2.4345 -2.4345 -2.1348 -2.1348 -1.8139 -1.8139 -1.7825 -1.7825 -1.5646 -1.5646 -1.4064 -1.4064 -1.1199 -1.1199 -0.9385 -0.9385 -0.6518 -0.6518 -0.4366 -0.4366 -0.1415 -0.1415 0.1392 0.1392 0.4701 0.4701 0.6135 0.6135 0.8445 0.8445 1.8160 1.8160 1.9216 1.9216 2.0352 2.0352 2.0728 2.0728 2.1535 2.1535 2.2209 2.2209 3.7474 3.7474 5.2387 5.2387 5.2700 5.2700 5.3391 5.3391 5.5743 5.5743 5.6704 5.6704 5.8343 5.8343 5.9358 5.9358 6.0780 6.0780 6.3456 6.3456 k = 0.1951 0.1951-0.0000 ( 13391 PWs) bands (ev): -17.1133 -17.1133 -16.9088 -16.9088 -16.8816 -16.8816 -15.1087 -15.1087 -15.0929 -15.0929 -15.0460 -15.0460 -13.3829 -13.3829 -7.3038 -7.3038 -7.1659 -7.1659 -6.9407 -6.9407 -2.7790 -2.7790 -2.5141 -2.5141 -2.4190 -2.4190 -2.1363 -2.1363 -1.8211 -1.8211 -1.7841 -1.7841 -1.5459 -1.5459 -1.4057 -1.4057 -1.1191 -1.1191 -0.9309 -0.9309 -0.6638 -0.6638 -0.4117 -0.4117 -0.1050 -0.1050 0.1545 0.1545 0.4579 0.4579 0.6057 0.6057 0.8151 0.8151 1.8055 1.8055 1.9109 1.9109 2.0156 2.0156 2.0894 2.0894 2.1565 2.1565 2.2283 2.2283 3.6861 3.6861 5.2280 5.2280 5.2612 5.2612 5.3270 5.3270 5.5741 5.5741 5.6794 5.6794 5.8423 5.8423 5.9304 5.9304 6.0412 6.0412 6.2993 6.2993 k = 0.1829 0.1829-0.0000 ( 13385 PWs) bands (ev): -17.1201 -17.1201 -16.9069 -16.9069 -16.8824 -16.8824 -15.1022 -15.1022 -15.0879 -15.0879 -15.0460 -15.0460 -13.3840 -13.3840 -7.3066 -7.3066 -7.1867 -7.1867 -6.9488 -6.9488 -2.7716 -2.7716 -2.4862 -2.4862 -2.4005 -2.4005 -2.1370 -2.1370 -1.8279 -1.8279 -1.7890 -1.7890 -1.5263 -1.5263 -1.4003 -1.4003 -1.1183 -1.1183 -0.9228 -0.9228 -0.6771 -0.6771 -0.3854 -0.3854 -0.0680 -0.0680 0.1701 0.1701 0.4457 0.4457 0.5977 0.5977 0.7863 0.7863 1.7953 1.7953 1.8978 1.8978 1.9940 1.9940 2.1050 2.1050 2.1607 2.1607 2.2358 2.2358 3.6251 3.6251 5.2178 5.2178 5.2534 5.2534 5.3152 5.3152 5.5738 5.5738 5.6887 5.6887 5.8497 5.8497 5.9248 5.9248 6.0065 6.0065 6.2542 6.2542 k = 0.1707 0.1707-0.0000 ( 13381 PWs) bands (ev): -17.1265 -17.1265 -16.9051 -16.9051 -16.8832 -16.8832 -15.0959 -15.0959 -15.0831 -15.0831 -15.0461 -15.0461 -13.3851 -13.3851 -7.3099 -7.3099 -7.2065 -7.2065 -6.9558 -6.9558 -2.7686 -2.7686 -2.4598 -2.4598 -2.3808 -2.3808 -2.1368 -2.1368 -1.8340 -1.8340 -1.7962 -1.7962 -1.5061 -1.5061 -1.3912 -1.3912 -1.1175 -1.1175 -0.9142 -0.9142 -0.6911 -0.6911 -0.3582 -0.3582 -0.0306 -0.0306 0.1860 0.1860 0.4337 0.4337 0.5896 0.5896 0.7580 0.7580 1.7855 1.7855 1.8829 1.8829 1.9714 1.9714 2.1195 2.1195 2.1655 2.1655 2.2436 2.2436 3.5649 3.5649 5.2086 5.2086 5.2465 5.2465 5.3039 5.3039 5.5735 5.5735 5.6972 5.6972 5.8563 5.8563 5.9179 5.9179 5.9758 5.9758 6.2106 6.2106 k = 0.1585 0.1585-0.0000 ( 13387 PWs) bands (ev): -17.1327 -17.1327 -16.9033 -16.9033 -16.8841 -16.8841 -15.0898 -15.0898 -15.0784 -15.0784 -15.0461 -15.0461 -13.3863 -13.3863 -7.3134 -7.3134 -7.2252 -7.2252 -6.9619 -6.9619 -2.7691 -2.7691 -2.4351 -2.4351 -2.3615 -2.3615 -2.1352 -2.1352 -1.8393 -1.8393 -1.8046 -1.8046 -1.4856 -1.4856 -1.3796 -1.3796 -1.1169 -1.1169 -0.9053 -0.9053 -0.7055 -0.7055 -0.3307 -0.3307 0.0070 0.0070 0.2022 0.2022 0.4220 0.4220 0.5813 0.5813 0.7304 0.7304 1.7761 1.7761 1.8665 1.8665 1.9481 1.9481 2.1327 2.1327 2.1705 2.1705 2.2513 2.2513 3.5059 3.5059 5.2005 5.2005 5.2402 5.2402 5.2932 5.2932 5.5732 5.5732 5.7037 5.7037 5.8613 5.8613 5.9079 5.9079 5.9528 5.9528 6.1687 6.1687 k = 0.1463 0.1463-0.0000 ( 13387 PWs) bands (ev): -17.1385 -17.1385 -16.9016 -16.9016 -16.8849 -16.8849 -15.0840 -15.0840 -15.0740 -15.0740 -15.0461 -15.0461 -13.3876 -13.3876 -7.3172 -7.3172 -7.2428 -7.2428 -6.9669 -6.9669 -2.7721 -2.7721 -2.4120 -2.4120 -2.3440 -2.3440 -2.1318 -2.1318 -1.8438 -1.8438 -1.8133 -1.8133 -1.4648 -1.4648 -1.3665 -1.3665 -1.1164 -1.1164 -0.8961 -0.8961 -0.7199 -0.7199 -0.3032 -0.3032 0.0446 0.0446 0.2185 0.2185 0.4106 0.4106 0.5731 0.5731 0.7035 0.7035 1.7671 1.7671 1.8492 1.8492 1.9242 1.9242 2.1447 2.1447 2.1755 2.1755 2.2590 2.2590 3.4485 3.4485 5.1937 5.1937 5.2348 5.2348 5.2831 5.2831 5.5728 5.5728 5.7069 5.7069 5.8625 5.8625 5.8959 5.8959 5.9398 5.9398 6.1290 6.1290 k = 0.1341 0.1341-0.0000 ( 13389 PWs) bands (ev): -17.1440 -17.1440 -16.9000 -16.9000 -16.8857 -16.8857 -15.0784 -15.0784 -15.0698 -15.0698 -15.0461 -15.0461 -13.3888 -13.3888 -7.3211 -7.3211 -7.2592 -7.2592 -6.9712 -6.9712 -2.7768 -2.7768 -2.3910 -2.3910 -2.3293 -2.3293 -2.1264 -2.1264 -1.8475 -1.8475 -1.8215 -1.8215 -1.4439 -1.4439 -1.3528 -1.3528 -1.1162 -1.1162 -0.8869 -0.8869 -0.7340 -0.7340 -0.2761 -0.2761 0.0819 0.0819 0.2347 0.2347 0.3996 0.3996 0.5648 0.5648 0.6776 0.6776 1.7587 1.7587 1.8314 1.8314 1.9002 1.9002 2.1554 2.1554 2.1803 2.1803 2.2666 2.2666 3.3933 3.3933 5.1882 5.1882 5.2303 5.2303 5.2736 5.2736 5.5723 5.5723 5.7054 5.7054 5.8559 5.8559 5.8903 5.8903 5.9339 5.9339 6.0915 6.0915 k = 0.1220 0.1220-0.0000 ( 13393 PWs) bands (ev): -17.1490 -17.1490 -16.8985 -16.8985 -16.8865 -16.8865 -15.0732 -15.0732 -15.0659 -15.0659 -15.0462 -15.0462 -13.3900 -13.3900 -7.3250 -7.3250 -7.2743 -7.2743 -6.9747 -6.9747 -2.7825 -2.7825 -2.3722 -2.3722 -2.3177 -2.3177 -2.1192 -2.1192 -1.8504 -1.8504 -1.8287 -1.8287 -1.4231 -1.4231 -1.3393 -1.3393 -1.1165 -1.1165 -0.8776 -0.8776 -0.7477 -0.7477 -0.2498 -0.2498 0.1186 0.1186 0.2508 0.2508 0.3892 0.3892 0.5566 0.5566 0.6526 0.6526 1.7508 1.7508 1.8135 1.8135 1.8762 1.8762 2.1650 2.1650 2.1848 2.1848 2.2738 2.2738 3.3408 3.3408 5.1837 5.1837 5.2266 5.2266 5.2650 5.2650 5.5717 5.5717 5.6979 5.6979 5.8460 5.8460 5.8913 5.8913 5.9313 5.9313 6.0568 6.0568 k = 0.1098 0.1098-0.0000 ( 13369 PWs) bands (ev): -17.1536 -17.1536 -16.8971 -16.8971 -16.8872 -16.8872 -15.0684 -15.0684 -15.0623 -15.0623 -15.0462 -15.0462 -13.3912 -13.3912 -7.3288 -7.3288 -7.2882 -7.2882 -6.9775 -6.9775 -2.7887 -2.7887 -2.3557 -2.3557 -2.3093 -2.3093 -2.1103 -2.1103 -1.8524 -1.8524 -1.8346 -1.8346 -1.4025 -1.4025 -1.3265 -1.3265 -1.1172 -1.1172 -0.8685 -0.8685 -0.7606 -0.7606 -0.2244 -0.2244 0.1542 0.1542 0.2665 0.2665 0.3795 0.3795 0.5486 0.5486 0.6289 0.6289 1.7435 1.7435 1.7961 1.7961 1.8525 1.8525 2.1734 2.1734 2.1890 2.1890 2.2807 2.2807 3.2914 3.2914 5.1802 5.1802 5.2240 5.2240 5.2572 5.2572 5.5708 5.5708 5.6845 5.6845 5.8390 5.8390 5.8941 5.8941 5.9305 5.9305 6.0251 6.0251 k = 0.0976 0.0976-0.0000 ( 13363 PWs) bands (ev): -17.1578 -17.1578 -16.8958 -16.8958 -16.8879 -16.8879 -15.0639 -15.0639 -15.0590 -15.0590 -15.0462 -15.0462 -13.3924 -13.3924 -7.3325 -7.3325 -7.3006 -7.3006 -6.9797 -6.9797 -2.7951 -2.7951 -2.3417 -2.3417 -2.3036 -2.3036 -2.1005 -2.1005 -1.8536 -1.8536 -1.8392 -1.8392 -1.3822 -1.3822 -1.3147 -1.3147 -1.1187 -1.1187 -0.8596 -0.8596 -0.7725 -0.7725 -0.2003 -0.2003 0.1884 0.1884 0.2816 0.2816 0.3707 0.3707 0.5408 0.5408 0.6063 0.6063 1.7367 1.7367 1.7793 1.7793 1.8294 1.8294 2.1808 2.1808 2.1928 2.1928 2.2870 2.2870 3.2456 3.2456 5.1775 5.1775 5.2223 5.2223 5.2502 5.2502 5.5697 5.5697 5.6669 5.6669 5.8359 5.8359 5.8964 5.8964 5.9307 5.9307 5.9973 5.9973 k = 0.0854 0.0854-0.0000 ( 13365 PWs) bands (ev): -17.1615 -17.1615 -16.8946 -16.8946 -16.8885 -16.8885 -15.0599 -15.0599 -15.0561 -15.0561 -15.0462 -15.0462 -13.3934 -13.3934 -7.3360 -7.3360 -7.3117 -7.3117 -6.9815 -6.9815 -2.8014 -2.8014 -2.3300 -2.3300 -2.3002 -2.3002 -2.0903 -2.0903 -1.8541 -1.8541 -1.8427 -1.8427 -1.3624 -1.3624 -1.3043 -1.3043 -1.1211 -1.1211 -0.8512 -0.8512 -0.7833 -0.7833 -0.1779 -0.1779 0.2203 0.2203 0.2958 0.2958 0.3632 0.3632 0.5333 0.5333 0.5853 0.5853 1.7306 1.7306 1.7636 1.7636 1.8076 1.8076 2.1872 2.1872 2.1961 2.1961 2.2928 2.2928 3.2039 3.2039 5.1754 5.1754 5.2215 5.2215 5.2443 5.2443 5.5685 5.5685 5.6474 5.6474 5.8352 5.8352 5.8972 5.8972 5.9315 5.9315 5.9741 5.9741 k = 0.0732 0.0732-0.0000 ( 13363 PWs) bands (ev): -17.1648 -17.1648 -16.8936 -16.8936 -16.8891 -16.8891 -15.0564 -15.0564 -15.0535 -15.0535 -15.0462 -15.0462 -13.3944 -13.3944 -7.3391 -7.3391 -7.3214 -7.3214 -6.9828 -6.9828 -2.8072 -2.8072 -2.3206 -2.3206 -2.2984 -2.2984 -2.0804 -2.0804 -1.8538 -1.8538 -1.8451 -1.8451 -1.3433 -1.3433 -1.2954 -1.2954 -1.1245 -1.1245 -0.8434 -0.8434 -0.7927 -0.7927 -0.1573 -0.1573 0.2491 0.2491 0.3090 0.3090 0.3574 0.3574 0.5262 0.5262 0.5659 0.5659 1.7250 1.7250 1.7493 1.7493 1.7874 1.7874 2.1926 2.1926 2.1990 2.1990 2.2979 2.2979 3.1667 3.1667 5.1738 5.1738 5.2216 5.2216 5.2393 5.2393 5.5671 5.5671 5.6277 5.6277 5.8355 5.8355 5.8952 5.8952 5.9328 5.9328 5.9569 5.9569 k = 0.0610 0.0610-0.0000 ( 13363 PWs) bands (ev): -17.1676 -17.1676 -16.8927 -16.8927 -16.8896 -16.8896 -15.0534 -15.0534 -15.0513 -15.0513 -15.0462 -15.0462 -13.3953 -13.3953 -7.3419 -7.3419 -7.3297 -7.3297 -6.9838 -6.9838 -2.8125 -2.8125 -2.3132 -2.3132 -2.2976 -2.2976 -2.0713 -2.0713 -1.8530 -1.8530 -1.8467 -1.8467 -1.3252 -1.3252 -1.2879 -1.2879 -1.1289 -1.1289 -0.8363 -0.8363 -0.8007 -0.8007 -0.1390 -0.1390 0.2734 0.2734 0.3210 0.3210 0.3541 0.3541 0.5197 0.5197 0.5484 0.5484 1.7200 1.7200 1.7366 1.7366 1.7694 1.7694 2.1970 2.1970 2.2015 2.2015 2.3022 2.3022 3.1345 3.1345 5.1724 5.1724 5.2223 5.2223 5.2352 5.2352 5.5658 5.5658 5.6093 5.6093 5.8359 5.8359 5.8899 5.8899 5.9343 5.9343 5.9465 5.9465 k = 0.0488 0.0488-0.0000 ( 13351 PWs) bands (ev): -17.1699 -17.1699 -16.8920 -16.8920 -16.8900 -16.8900 -15.0509 -15.0509 -15.0495 -15.0495 -15.0462 -15.0462 -13.3960 -13.3960 -7.3442 -7.3442 -7.3365 -7.3365 -6.9846 -6.9846 -2.8170 -2.8170 -2.3075 -2.3075 -2.2975 -2.2975 -2.0634 -2.0634 -1.8520 -1.8520 -1.8478 -1.8478 -1.3085 -1.3085 -1.2820 -1.2820 -1.1340 -1.1340 -0.8302 -0.8302 -0.8073 -0.8073 -0.1232 -0.1232 0.2909 0.2909 0.3324 0.3324 0.3542 0.3542 0.5139 0.5139 0.5330 0.5330 1.7155 1.7155 1.7257 1.7257 1.7543 1.7543 2.2007 2.2007 2.2035 2.2035 2.3058 2.3058 3.1077 3.1077 5.1713 5.1713 5.2235 5.2235 5.2320 5.2320 5.5645 5.5645 5.5931 5.5931 5.8355 5.8355 5.8827 5.8827 5.9358 5.9358 5.9415 5.9415 k = 0.0366 0.0366-0.0000 ( 13345 PWs) bands (ev): -17.1717 -17.1717 -16.8914 -16.8914 -16.8903 -16.8903 -15.0489 -15.0489 -15.0481 -15.0481 -15.0462 -15.0462 -13.3966 -13.3966 -7.3461 -7.3461 -7.3418 -7.3418 -6.9851 -6.9851 -2.8206 -2.8206 -2.3034 -2.3034 -2.2978 -2.2978 -2.0571 -2.0571 -1.8508 -1.8508 -1.8484 -1.8484 -1.2939 -1.2939 -1.2774 -1.2774 -1.1396 -1.1396 -0.8253 -0.8253 -0.8123 -0.8123 -0.1105 -0.1105 0.3003 0.3003 0.3441 0.3441 0.3572 0.3572 0.5090 0.5090 0.5202 0.5202 1.7114 1.7114 1.7169 1.7169 1.7427 1.7427 2.2034 2.2034 2.2050 2.2050 2.3087 2.3087 3.0865 3.0865 5.1704 5.1704 5.2247 5.2247 5.2297 5.2297 5.5634 5.5634 5.5798 5.5798 5.8340 5.8340 5.8764 5.8764 5.9371 5.9371 5.9397 5.9397 k = 0.0244 0.0244-0.0000 ( 13343 PWs) bands (ev): -17.1730 -17.1730 -16.8910 -16.8910 -16.8905 -16.8905 -15.0475 -15.0475 -15.0470 -15.0470 -15.0462 -15.0462 -13.3970 -13.3970 -7.3475 -7.3475 -7.3455 -7.3455 -6.9855 -6.9855 -2.8232 -2.8232 -2.3006 -2.3006 -2.2981 -2.2981 -2.0525 -2.0525 -1.8498 -1.8498 -1.8487 -1.8487 -1.2822 -1.2822 -1.2742 -1.2742 -1.1448 -1.1448 -0.8216 -0.8216 -0.8158 -0.8158 -0.1011 -0.1011 0.3038 0.3038 0.3550 0.3550 0.3612 0.3612 0.5052 0.5052 0.5103 0.5103 1.7079 1.7079 1.7103 1.7103 1.7347 1.7347 2.2054 2.2054 2.2061 2.2061 2.3107 2.3107 3.0711 3.0711 5.1697 5.1697 5.2259 5.2259 5.2282 5.2282 5.5625 5.5625 5.5699 5.5699 5.8319 5.8319 5.8720 5.8720 5.9383 5.9383 5.9393 5.9393 k = 0.0122 0.0122-0.0000 ( 13341 PWs) bands (ev): -17.1737 -17.1737 -16.8908 -16.8908 -16.8907 -16.8907 -15.0468 -15.0468 -15.0463 -15.0463 -15.0462 -15.0462 -13.3972 -13.3972 -7.3483 -7.3483 -7.3478 -7.3478 -6.9857 -6.9857 -2.8248 -2.8248 -2.2990 -2.2990 -2.2984 -2.2984 -2.0496 -2.0496 -1.8492 -1.8492 -1.8489 -1.8489 -1.2744 -1.2744 -1.2723 -1.2723 -1.1486 -1.1486 -0.8194 -0.8194 -0.8179 -0.8179 -0.0953 -0.0953 0.3047 0.3047 0.3627 0.3627 0.3642 0.3642 0.5028 0.5028 0.5041 0.5041 1.7055 1.7055 1.7061 1.7061 1.7302 1.7302 2.2066 2.2066 2.2067 2.2067 2.3119 2.3119 3.0619 3.0619 5.1693 5.1693 5.2267 5.2267 5.2273 5.2273 5.5620 5.5620 5.5638 5.5638 5.8300 5.8300 5.8698 5.8698 5.9390 5.9390 5.9392 5.9392 k = 0.0000 0.0000 0.0000 ( 13301 PWs) bands (ev): -17.1740 -17.1740 -16.8907 -16.8907 -16.8907 -16.8907 -15.0466 -15.0466 -15.0461 -15.0461 -15.0461 -15.0461 -13.3973 -13.3973 -7.3486 -7.3486 -7.3486 -7.3486 -6.9857 -6.9857 -2.8254 -2.8254 -2.2985 -2.2985 -2.2985 -2.2985 -2.0487 -2.0487 -1.8489 -1.8489 -1.8489 -1.8489 -1.2717 -1.2717 -1.2717 -1.2717 -1.1501 -1.1501 -0.8186 -0.8186 -0.8186 -0.8186 -0.0933 -0.0933 0.3048 0.3048 0.3654 0.3654 0.3654 0.3654 0.5019 0.5019 0.5019 0.5019 1.7047 1.7047 1.7047 1.7047 1.7288 1.7288 2.2070 2.2070 2.2070 2.2070 2.3123 2.3123 3.0588 3.0588 5.1692 5.1692 5.2270 5.2270 5.2270 5.2270 5.5618 5.5618 5.5618 5.5618 5.8293 5.8293 5.8691 5.8691 5.9392 5.9392 5.9392 5.9392 k = 0.0000 0.0000 0.0000 ( 13301 PWs) bands (ev): -17.1740 -17.1740 -16.8907 -16.8907 -16.8907 -16.8907 -15.0466 -15.0466 -15.0461 -15.0461 -15.0461 -15.0461 -13.3973 -13.3973 -7.3486 -7.3486 -7.3486 -7.3486 -6.9857 -6.9857 -2.8254 -2.8254 -2.2985 -2.2985 -2.2985 -2.2985 -2.0487 -2.0487 -1.8489 -1.8489 -1.8489 -1.8489 -1.2717 -1.2717 -1.2717 -1.2717 -1.1501 -1.1501 -0.8186 -0.8186 -0.8186 -0.8186 -0.0933 -0.0933 0.3048 0.3048 0.3654 0.3654 0.3654 0.3654 0.5019 0.5019 0.5019 0.5019 1.7047 1.7047 1.7047 1.7047 1.7288 1.7288 2.2070 2.2070 2.2070 2.2070 2.3123 2.3123 3.0588 3.0588 5.1692 5.1692 5.2270 5.2270 5.2270 5.2270 5.5618 5.5618 5.5618 5.5618 5.8293 5.8293 5.8691 5.8691 5.9392 5.9392 5.9392 5.9392 k = 0.0100 0.0100 0.0100 ( 13343 PWs) bands (ev): -17.1737 -17.1737 -16.8907 -16.8907 -16.8907 -16.8907 -15.0468 -15.0468 -15.0463 -15.0463 -15.0462 -15.0462 -13.3972 -13.3972 -7.3481 -7.3481 -7.3481 -7.3481 -6.9857 -6.9857 -2.8248 -2.8248 -2.2989 -2.2989 -2.2985 -2.2985 -2.0497 -2.0497 -1.8491 -1.8491 -1.8490 -1.8490 -1.2741 -1.2741 -1.2727 -1.2727 -1.1486 -1.1486 -0.8195 -0.8195 -0.8179 -0.8179 -0.0953 -0.0953 0.3047 0.3047 0.3633 0.3633 0.3636 0.3636 0.5034 0.5034 0.5035 0.5035 1.7058 1.7058 1.7059 1.7059 1.7302 1.7302 2.2066 2.2066 2.2067 2.2067 2.3119 2.3119 3.0619 3.0619 5.1693 5.1693 5.2269 5.2269 5.2271 5.2271 5.5629 5.5629 5.5630 5.5630 5.8300 5.8300 5.8698 5.8698 5.9391 5.9391 5.9391 5.9391 k = 0.0200 0.0200 0.0200 ( 13337 PWs) bands (ev): -17.1729 -17.1729 -16.8908 -16.8908 -16.8908 -16.8908 -15.0473 -15.0473 -15.0468 -15.0468 -15.0466 -15.0466 -13.3970 -13.3970 -7.3465 -7.3465 -7.3465 -7.3465 -6.9855 -6.9855 -2.8232 -2.8232 -2.3002 -2.3002 -2.2985 -2.2985 -2.0525 -2.0525 -1.8495 -1.8495 -1.8491 -1.8491 -1.2810 -1.2810 -1.2756 -1.2756 -1.1448 -1.1448 -0.8218 -0.8218 -0.8156 -0.8156 -0.1012 -0.1012 0.3037 0.3037 0.3576 0.3576 0.3585 0.3585 0.5077 0.5077 0.5080 0.5080 1.7091 1.7091 1.7093 1.7093 1.7346 1.7346 2.2054 2.2054 2.2061 2.2061 2.3107 2.3107 3.0712 3.0712 5.1698 5.1698 5.2266 5.2266 5.2275 5.2275 5.5661 5.5661 5.5664 5.5664 5.8318 5.8318 5.8721 5.8721 5.9386 5.9386 5.9389 5.9389 k = 0.0300 0.0300 0.0300 ( 13340 PWs) bands (ev): -17.1716 -17.1716 -16.8909 -16.8909 -16.8909 -16.8909 -15.0483 -15.0483 -15.0476 -15.0476 -15.0473 -15.0473 -13.3965 -13.3965 -7.3439 -7.3439 -7.3438 -7.3438 -6.9851 -6.9851 -2.8206 -2.8206 -2.3026 -2.3026 -2.2985 -2.2985 -2.0572 -2.0572 -1.8500 -1.8500 -1.8493 -1.8493 -1.2914 -1.2914 -1.2803 -1.2803 -1.1396 -1.1396 -0.8255 -0.8255 -0.8119 -0.8119 -0.1107 -0.1107 0.2997 0.2997 0.3506 0.3506 0.3507 0.3507 0.5146 0.5146 0.5152 0.5152 1.7144 1.7144 1.7146 1.7146 1.7422 1.7422 2.2035 2.2035 2.2049 2.2049 2.3086 2.3086 3.0867 3.0867 5.1706 5.1706 5.2262 5.2262 5.2281 5.2281 5.5714 5.5714 5.5721 5.5721 5.8335 5.8335 5.8768 5.8768 5.9379 5.9379 5.9391 5.9391 k = 0.0400 0.0400 0.0400 ( 13340 PWs) bands (ev): -17.1698 -17.1698 -16.8910 -16.8910 -16.8910 -16.8910 -15.0498 -15.0498 -15.0486 -15.0486 -15.0483 -15.0483 -13.3960 -13.3960 -7.3403 -7.3403 -7.3401 -7.3401 -6.9847 -6.9847 -2.8169 -2.8169 -2.3059 -2.3059 -2.2988 -2.2988 -2.0638 -2.0638 -1.8506 -1.8506 -1.8494 -1.8494 -1.3043 -1.3043 -1.2868 -1.2868 -1.1343 -1.1343 -0.8301 -0.8301 -0.8069 -0.8069 -0.1237 -0.1237 0.2893 0.2893 0.3404 0.3404 0.3467 0.3467 0.5240 0.5240 0.5243 0.5243 1.7207 1.7207 1.7221 1.7221 1.7532 1.7532 2.2007 2.2007 2.2033 2.2033 2.3057 2.3057 3.1081 3.1081 5.1718 5.1718 5.2260 5.2260 5.2291 5.2291 5.5786 5.5786 5.5798 5.5798 5.8339 5.8339 5.8837 5.8837 5.9370 5.9370 5.9407 5.9407 k = 0.0500 0.0500 0.0500 ( 13358 PWs) bands (ev): -17.1675 -17.1675 -16.8912 -16.8912 -16.8911 -16.8911 -15.0517 -15.0517 -15.0498 -15.0498 -15.0495 -15.0495 -13.3952 -13.3952 -7.3357 -7.3357 -7.3354 -7.3354 -6.9840 -6.9840 -2.8124 -2.8124 -2.3106 -2.3106 -2.2994 -2.2994 -2.0722 -2.0722 -1.8510 -1.8510 -1.8492 -1.8492 -1.3191 -1.3191 -1.2948 -1.2948 -1.1301 -1.1301 -0.8350 -0.8350 -0.8007 -0.8007 -0.1398 -0.1398 0.2710 0.2710 0.3283 0.3283 0.3473 0.3473 0.5352 0.5352 0.5355 0.5355 1.7279 1.7279 1.7315 1.7315 1.7672 1.7672 2.1970 2.1970 2.2012 2.2012 2.3020 2.3020 3.1353 3.1353 5.1735 5.1735 5.2260 5.2260 5.2306 5.2306 5.5874 5.5874 5.5894 5.5894 5.8326 5.8326 5.8916 5.8916 5.9360 5.9360 5.9457 5.9457 k = 0.0600 0.0600 0.0600 ( 13364 PWs) bands (ev): -17.1647 -17.1647 -16.8913 -16.8913 -16.8913 -16.8913 -15.0541 -15.0541 -15.0513 -15.0513 -15.0510 -15.0510 -13.3944 -13.3944 -7.3300 -7.3300 -7.3297 -7.3297 -6.9832 -6.9832 -2.8072 -2.8072 -2.3167 -2.3167 -2.3005 -2.3005 -2.0823 -2.0823 -1.8511 -1.8511 -1.8486 -1.8486 -1.3351 -1.3351 -1.3041 -1.3041 -1.1279 -1.1279 -0.8395 -0.8395 -0.7934 -0.7934 -0.1588 -0.1588 0.2464 0.2464 0.3149 0.3149 0.3516 0.3516 0.5475 0.5475 0.5490 0.5490 1.7359 1.7359 1.7425 1.7425 1.7840 1.7840 2.1923 2.1923 2.1987 2.1987 2.2974 2.2974 3.1678 3.1678 5.1758 5.1758 5.2266 5.2266 5.2326 5.2326 5.5976 5.5976 5.6004 5.6004 5.8294 5.8294 5.8978 5.8978 5.9351 5.9351 5.9566 5.9566 k = 0.0700 0.0700 0.0700 ( 13358 PWs) bands (ev): -17.1614 -17.1614 -16.8916 -16.8916 -16.8915 -16.8915 -15.0568 -15.0568 -15.0531 -15.0531 -15.0528 -15.0528 -13.3934 -13.3934 -7.3233 -7.3233 -7.3229 -7.3229 -6.9822 -6.9822 -2.8014 -2.8014 -2.3244 -2.3244 -2.3024 -2.3024 -2.0941 -2.0941 -1.8506 -1.8506 -1.8473 -1.8473 -1.3521 -1.3521 -1.3146 -1.3146 -1.1288 -1.1288 -0.8428 -0.8428 -0.7852 -0.7852 -0.1802 -0.1802 0.2176 0.2176 0.3004 0.3004 0.3582 0.3582 0.5610 0.5610 0.5642 0.5642 1.7447 1.7447 1.7550 1.7550 1.8028 1.8028 2.1867 2.1867 2.1957 2.1957 2.2919 2.2919 3.2054 3.2054 5.1789 5.1789 5.2278 5.2278 5.2353 5.2353 5.6088 5.6088 5.6127 5.6127 5.8245 5.8245 5.9013 5.9013 5.9345 5.9345 5.9744 5.9744 k = 0.0800 0.0800 0.0800 ( 13349 PWs) bands (ev): -17.1576 -17.1576 -16.8918 -16.8918 -16.8917 -16.8917 -15.0598 -15.0598 -15.0551 -15.0551 -15.0548 -15.0548 -13.3924 -13.3924 -7.3157 -7.3157 -7.3151 -7.3151 -6.9809 -6.9809 -2.7952 -2.7952 -2.3339 -2.3339 -2.3052 -2.3052 -2.1074 -2.1074 -1.8493 -1.8493 -1.8452 -1.8452 -1.3697 -1.3697 -1.3260 -1.3260 -1.1332 -1.1332 -0.8443 -0.8443 -0.7762 -0.7762 -0.2039 -0.2039 0.1858 0.1858 0.2850 0.2850 0.3662 0.3662 0.5756 0.5756 0.5810 0.5810 1.7541 1.7541 1.7688 1.7688 1.8231 1.8231 2.1800 2.1800 2.1921 2.1921 2.2856 2.2856 3.2477 3.2477 5.1829 5.1829 5.2301 5.2301 5.2387 5.2387 5.6205 5.6205 5.6258 5.6258 5.8182 5.8182 5.9032 5.9032 5.9346 5.9346 5.9979 5.9979 k = 0.0900 0.0900 0.0900 ( 13367 PWs) bands (ev): -17.1534 -17.1534 -16.8921 -16.8921 -16.8920 -16.8920 -15.0633 -15.0633 -15.0573 -15.0573 -15.0570 -15.0570 -13.3912 -13.3912 -7.3070 -7.3070 -7.3062 -7.3062 -6.9795 -6.9795 -2.7890 -2.7890 -2.3455 -2.3455 -2.3091 -2.3091 -2.1221 -2.1221 -1.8468 -1.8468 -1.8421 -1.8421 -1.3878 -1.3878 -1.3381 -1.3381 -1.1417 -1.1417 -0.8436 -0.8436 -0.7666 -0.7666 -0.2295 -0.2295 0.1523 0.1523 0.2690 0.2690 0.3754 0.3754 0.5912 0.5912 0.5990 0.5990 1.7641 1.7641 1.7835 1.7835 1.8445 1.8445 2.1722 2.1722 2.1881 2.1881 2.2785 2.2785 3.2942 3.2942 5.1880 5.1880 5.2335 5.2335 5.2429 5.2429 5.6324 5.6324 5.6392 5.6392 5.8104 5.8104 5.9050 5.9050 5.9355 5.9355 6.0257 6.0257 k = 0.1000 0.1000 0.1000 ( 13391 PWs) bands (ev): -17.1487 -17.1487 -16.8924 -16.8924 -16.8923 -16.8923 -15.0670 -15.0670 -15.0598 -15.0598 -15.0595 -15.0595 -13.3901 -13.3901 -7.2974 -7.2974 -7.2964 -7.2964 -6.9777 -6.9777 -2.7831 -2.7831 -2.3593 -2.3593 -2.3143 -2.3143 -2.1380 -2.1380 -1.8430 -1.8430 -1.8379 -1.8379 -1.4062 -1.4062 -1.3508 -1.3508 -1.1541 -1.1541 -0.8402 -0.8402 -0.7565 -0.7565 -0.2567 -0.2567 0.1177 0.1177 0.2527 0.2527 0.3854 0.3854 0.6078 0.6078 0.6182 0.6182 1.7746 1.7746 1.7989 1.7989 1.8664 1.8664 2.1633 2.1633 2.1836 2.1836 2.2705 2.2705 3.3445 3.3445 5.1942 5.1942 5.2381 5.2381 5.2481 5.2481 5.6437 5.6437 5.6525 5.6525 5.8012 5.8012 5.9080 5.9080 5.9377 5.9377 6.0567 6.0567 k = 0.1100 0.1100 0.1100 ( 13385 PWs) bands (ev): -17.1436 -17.1436 -16.8928 -16.8928 -16.8926 -16.8926 -15.0710 -15.0710 -15.0626 -15.0626 -15.0623 -15.0623 -13.3889 -13.3889 -7.2868 -7.2868 -7.2857 -7.2857 -6.9756 -6.9756 -2.7779 -2.7779 -2.3753 -2.3753 -2.3209 -2.3209 -2.1549 -2.1549 -1.8376 -1.8376 -1.8324 -1.8324 -1.4249 -1.4249 -1.3637 -1.3637 -1.1703 -1.1703 -0.8345 -0.8345 -0.7460 -0.7460 -0.2854 -0.2854 0.0828 0.0828 0.2361 0.2361 0.3961 0.3961 0.6253 0.6253 0.6384 0.6384 1.7854 1.7854 1.8148 1.8148 1.8884 1.8884 2.1532 2.1532 2.1786 2.1786 2.2618 2.2618 3.3980 3.3980 5.2018 5.2018 5.2442 5.2442 5.2543 5.2543 5.6541 5.6541 5.6651 5.6651 5.7908 5.7908 5.9130 5.9130 5.9416 5.9416 6.0904 6.0904 k = 0.1200 0.1200 0.1200 ( 13376 PWs) bands (ev): -17.1380 -17.1380 -16.8931 -16.8931 -16.8929 -16.8929 -15.0752 -15.0752 -15.0655 -15.0655 -15.0652 -15.0652 -13.3877 -13.3877 -7.2752 -7.2752 -7.2740 -7.2740 -6.9731 -6.9731 -2.7738 -2.7738 -2.3938 -2.3938 -2.3292 -2.3292 -2.1724 -2.1724 -1.8307 -1.8307 -1.8255 -1.8255 -1.4437 -1.4437 -1.3766 -1.3766 -1.1894 -1.1894 -0.8267 -0.8267 -0.7352 -0.7352 -0.3152 -0.3152 0.0482 0.0482 0.2195 0.2195 0.4073 0.4073 0.6436 0.6436 0.6594 0.6594 1.7963 1.7963 1.8308 1.8308 1.9101 1.9101 2.1420 2.1420 2.1730 2.1730 2.2523 2.2523 3.4544 3.4544 5.2108 5.2108 5.2518 5.2518 5.2614 5.2614 5.6629 5.6629 5.6765 5.6765 5.7794 5.7794 5.9206 5.9206 5.9477 5.9477 6.1263 6.1263 k = 0.1300 0.1300 0.1300 ( 13382 PWs) bands (ev): -17.1321 -17.1321 -16.8935 -16.8935 -16.8932 -16.8932 -15.0797 -15.0797 -15.0687 -15.0687 -15.0684 -15.0684 -13.3866 -13.3866 -7.2628 -7.2628 -7.2613 -7.2613 -6.9703 -6.9703 -2.7714 -2.7714 -2.4147 -2.4147 -2.3393 -2.3393 -2.1897 -2.1897 -1.8224 -1.8224 -1.8175 -1.8175 -1.4626 -1.4626 -1.3894 -1.3894 -1.2109 -1.2109 -0.8173 -0.8173 -0.7242 -0.7242 -0.3457 -0.3457 0.0144 0.0144 0.2029 0.2029 0.4191 0.4191 0.6628 0.6628 0.6812 0.6812 1.8071 1.8071 1.8468 1.8468 1.9311 1.9311 2.1296 2.1296 2.1670 2.1670 2.2421 2.2421 3.5131 3.5131 5.2212 5.2212 5.2611 5.2611 5.2696 5.2696 5.6699 5.6699 5.6863 5.6863 5.7671 5.7671 5.9310 5.9310 5.9564 5.9564 6.1640 6.1640 k = 0.1400 0.1400 0.1400 ( 13382 PWs) bands (ev): -17.1258 -17.1258 -16.8939 -16.8939 -16.8936 -16.8936 -15.0844 -15.0844 -15.0720 -15.0720 -15.0717 -15.0717 -13.3855 -13.3855 -7.2494 -7.2494 -7.2477 -7.2477 -6.9671 -6.9671 -2.7713 -2.7713 -2.4379 -2.4379 -2.3516 -2.3516 -2.2061 -2.2061 -1.8127 -1.8127 -1.8083 -1.8083 -1.4816 -1.4816 -1.4019 -1.4019 -1.2338 -1.2338 -0.8067 -0.8067 -0.7130 -0.7130 -0.3767 -0.3767 -0.0183 -0.0183 0.1866 0.1866 0.4312 0.4312 0.6827 0.6827 0.7035 0.7035 1.8178 1.8178 1.8624 1.8624 1.9510 1.9510 2.1162 2.1162 2.1605 2.1605 2.2313 2.2313 3.5738 3.5738 5.2331 5.2331 5.2723 5.2723 5.2788 5.2788 5.6746 5.6746 5.6940 5.6940 5.7544 5.7544 5.9445 5.9445 5.9679 5.9679 6.2032 6.2032 k = 0.1500 0.1500 0.1500 ( 13388 PWs) bands (ev): -17.1192 -17.1192 -16.8943 -16.8943 -16.8939 -16.8939 -15.0892 -15.0892 -15.0756 -15.0756 -15.0753 -15.0753 -13.3846 -13.3846 -7.2352 -7.2352 -7.2333 -7.2333 -6.9634 -6.9634 -2.7741 -2.7741 -2.4634 -2.4634 -2.3667 -2.3667 -2.2203 -2.2203 -1.8022 -1.8022 -1.7982 -1.7982 -1.5005 -1.5005 -1.4136 -1.4136 -1.2571 -1.2571 -0.7955 -0.7955 -0.7017 -0.7017 -0.4077 -0.4077 -0.0496 -0.0496 0.1707 0.1707 0.4436 0.4436 0.7034 0.7034 0.7264 0.7264 1.8280 1.8280 1.8774 1.8774 1.9693 1.9693 2.1018 2.1018 2.1536 2.1536 2.2199 2.2199 3.6359 3.6359 5.2462 5.2462 5.2857 5.2857 5.2891 5.2891 5.6771 5.6771 5.6996 5.6996 5.7415 5.7415 5.9609 5.9609 5.9823 5.9823 6.2437 6.2437 k = 0.1600 0.1600 0.1600 ( 13397 PWs) bands (ev): -17.1122 -17.1122 -16.8947 -16.8947 -16.8943 -16.8943 -15.0942 -15.0942 -15.0793 -15.0793 -15.0790 -15.0790 -13.3837 -13.3837 -7.2201 -7.2201 -7.2180 -7.2180 -6.9593 -6.9593 -2.7803 -2.7803 -2.4912 -2.4912 -2.3853 -2.3853 -2.2310 -2.2310 -1.7913 -1.7913 -1.7874 -1.7874 -1.5194 -1.5194 -1.4244 -1.4244 -1.2799 -1.2799 -0.7842 -0.7842 -0.6904 -0.6904 -0.4380 -0.4380 -0.0792 -0.0792 0.1553 0.1553 0.4564 0.4564 0.7248 0.7248 0.7498 0.7498 1.8376 1.8376 1.8915 1.8915 1.9857 1.9857 2.0866 2.0866 2.1462 2.1462 2.2079 2.2079 3.6991 3.6991 5.2604 5.2604 5.3004 5.3004 5.3014 5.3014 5.6774 5.6774 5.7032 5.7032 5.7288 5.7288 5.9799 5.9799 5.9994 5.9994 6.2853 6.2853 k = 0.1700 0.1700 0.1700 ( 13400 PWs) bands (ev): -17.1050 -17.1050 -16.8951 -16.8951 -16.8947 -16.8947 -15.0992 -15.0992 -15.0832 -15.0832 -15.0829 -15.0829 -13.3830 -13.3830 -7.2042 -7.2042 -7.2019 -7.2019 -6.9546 -6.9546 -2.7902 -2.7902 -2.5209 -2.5209 -2.4080 -2.4080 -2.2373 -2.2373 -1.7810 -1.7810 -1.7762 -1.7762 -1.5383 -1.5383 -1.4339 -1.4339 -1.3009 -1.3009 -0.7734 -0.7734 -0.6790 -0.6790 -0.4671 -0.4671 -0.1069 -0.1069 0.1405 0.1405 0.4693 0.4693 0.7467 0.7467 0.7735 0.7735 1.8465 1.8465 1.9045 1.9045 1.9993 1.9993 2.0713 2.0713 2.1384 2.1384 2.1954 2.1954 3.7630 3.7630 5.2755 5.2755 5.3127 5.3127 5.3198 5.3198 5.6752 5.6752 5.7048 5.7048 5.7171 5.7171 6.0012 6.0012 6.0191 6.0191 6.3277 6.3277 k = 0.1800 0.1800 0.1800 ( 13379 PWs) bands (ev): -17.0974 -17.0974 -16.8955 -16.8955 -16.8950 -16.8950 -15.1043 -15.1043 -15.0872 -15.0872 -15.0869 -15.0869 -13.3825 -13.3825 -7.1876 -7.1876 -7.1850 -7.1850 -6.9494 -6.9494 -2.8041 -2.8041 -2.5526 -2.5526 -2.4347 -2.4347 -2.2386 -2.2386 -1.7721 -1.7721 -1.7652 -1.7652 -1.5571 -1.5571 -1.4418 -1.4418 -1.3190 -1.3190 -0.7640 -0.7640 -0.6677 -0.6677 -0.4941 -0.4941 -0.1328 -0.1328 0.1265 0.1265 0.4824 0.4824 0.7693 0.7693 0.7975 0.7975 1.8545 1.8545 1.9161 1.9161 2.0083 2.0083 2.0573 2.0573 2.1304 2.1304 2.1824 2.1824 3.8271 3.8271 5.2913 5.2913 5.3259 5.3259 5.3411 5.3411 5.6705 5.6705 5.7050 5.7050 5.7069 5.7069 6.0244 6.0244 6.0410 6.0410 6.3707 6.3707 k = 0.1900 0.1900 0.1900 ( 13367 PWs) bands (ev): -17.0897 -17.0897 -16.8959 -16.8959 -16.8954 -16.8954 -15.1095 -15.1095 -15.0914 -15.0914 -15.0911 -15.0911 -13.3822 -13.3822 -7.1701 -7.1701 -7.1674 -7.1674 -6.9436 -6.9436 -2.8220 -2.8220 -2.5860 -2.5860 -2.4653 -2.4653 -2.2351 -2.2351 -1.7661 -1.7661 -1.7547 -1.7547 -1.5758 -1.5758 -1.4476 -1.4476 -1.3327 -1.3327 -0.7570 -0.7570 -0.6564 -0.6564 -0.5179 -0.5179 -0.1566 -0.1566 0.1133 0.1133 0.4956 0.4956 0.7923 0.7923 0.8217 0.8217 1.8613 1.8613 1.9261 1.9261 2.0085 2.0085 2.0490 2.0490 2.1221 2.1221 2.1690 2.1690 3.8911 3.8911 5.3077 5.3077 5.3400 5.3400 5.3653 5.3653 5.6634 5.6634 5.6988 5.6988 5.7039 5.7039 6.0490 6.0490 6.0645 6.0645 6.4142 6.4142 k = 0.2000 0.2000 0.2000 ( 13385 PWs) bands (ev): -17.0817 -17.0817 -16.8964 -16.8964 -16.8958 -16.8958 -15.1146 -15.1146 -15.0957 -15.0957 -15.0954 -15.0954 -13.3820 -13.3820 -7.1520 -7.1520 -7.1491 -7.1491 -6.9373 -6.9373 -2.8438 -2.8438 -2.6209 -2.6209 -2.4992 -2.4992 -2.2273 -2.2273 -1.7641 -1.7641 -1.7454 -1.7454 -1.5940 -1.5940 -1.4508 -1.4508 -1.3407 -1.3407 -0.7534 -0.7534 -0.6452 -0.6452 -0.5372 -0.5372 -0.1783 -0.1783 0.1010 0.1010 0.5089 0.5089 0.8158 0.8158 0.8461 0.8461 1.8667 1.8667 1.9343 1.9343 1.9974 1.9974 2.0484 2.0484 2.1136 2.1136 2.1553 2.1553 3.9547 3.9547 5.3246 5.3246 5.3550 5.3550 5.3924 5.3924 5.6544 5.6544 5.6927 5.6927 5.7020 5.7020 6.0746 6.0746 6.0895 6.0895 6.4579 6.4579 k = 0.2100 0.2100 0.2100 ( 13385 PWs) bands (ev): -17.0735 -17.0735 -16.8968 -16.8968 -16.8962 -16.8962 -15.1198 -15.1198 -15.1001 -15.1001 -15.0998 -15.0998 -13.3821 -13.3821 -7.1332 -7.1332 -7.1301 -7.1301 -6.9304 -6.9304 -2.8690 -2.8690 -2.6572 -2.6572 -2.5360 -2.5360 -2.2157 -2.2157 -1.7674 -1.7674 -1.7378 -1.7378 -1.6116 -1.6116 -1.4510 -1.4510 -1.3421 -1.3421 -0.7545 -0.7545 -0.6340 -0.6340 -0.5509 -0.5509 -0.1979 -0.1979 0.0897 0.0897 0.5223 0.5223 0.8396 0.8396 0.8705 0.8705 1.8706 1.8706 1.9403 1.9403 1.9801 1.9801 2.0504 2.0504 2.1051 2.1051 2.1413 2.1413 4.0175 4.0175 5.3420 5.3420 5.3707 5.3707 5.4222 5.4222 5.6446 5.6446 5.6880 5.6880 5.6996 5.6996 6.1010 6.1010 6.1154 6.1154 6.5016 6.5016 k = 0.2200 0.2200 0.2200 ( 13376 PWs) bands (ev): -17.0652 -17.0652 -16.8972 -16.8972 -16.8965 -16.8965 -15.1248 -15.1248 -15.1046 -15.1046 -15.1043 -15.1043 -13.3824 -13.3824 -7.1138 -7.1138 -7.1105 -7.1105 -6.9229 -6.9229 -2.8974 -2.8974 -2.6947 -2.6947 -2.5751 -2.5751 -2.2009 -2.2009 -1.7765 -1.7765 -1.7322 -1.7322 -1.6283 -1.6283 -1.4479 -1.4479 -1.3364 -1.3364 -0.7608 -0.7608 -0.6229 -0.6229 -0.5582 -0.5582 -0.2152 -0.2152 0.0795 0.0795 0.5356 0.5356 0.8638 0.8638 0.8951 0.8951 1.8727 1.8727 1.9441 1.9441 1.9605 1.9605 2.0513 2.0513 2.0966 2.0966 2.1273 2.1273 4.0793 4.0793 5.3599 5.3599 5.3871 5.3871 5.4546 5.4546 5.6349 5.6349 5.6844 5.6844 5.6969 5.6969 6.1279 6.1279 6.1420 6.1420 6.5453 6.5453 k = 0.2300 0.2300 0.2300 ( 13373 PWs) bands (ev): -17.0568 -17.0568 -16.8976 -16.8976 -16.8969 -16.8969 -15.1298 -15.1298 -15.1092 -15.1092 -15.1089 -15.1089 -13.3829 -13.3829 -7.0938 -7.0938 -7.0904 -7.0904 -6.9148 -6.9148 -2.9285 -2.9285 -2.7332 -2.7332 -2.6162 -2.6162 -2.1836 -2.1836 -1.7913 -1.7913 -1.7290 -1.7290 -1.6440 -1.6440 -1.4414 -1.4414 -1.3237 -1.3237 -0.7719 -0.7719 -0.6118 -0.6118 -0.5597 -0.5597 -0.2301 -0.2301 0.0704 0.0704 0.5489 0.5489 0.8882 0.8882 0.9196 0.9196 1.8724 1.8724 1.9402 1.9402 1.9455 1.9455 2.0495 2.0495 2.0881 2.0881 2.1133 2.1133 4.1398 4.1398 5.3783 5.3783 5.4041 5.4041 5.4894 5.4894 5.6259 5.6259 5.6816 5.6816 5.6942 5.6942 6.1550 6.1550 6.1690 6.1690 6.5886 6.5886 k = 0.2400 0.2400 0.2400 ( 13385 PWs) bands (ev): -17.0483 -17.0483 -16.8980 -16.8980 -16.8972 -16.8972 -15.1347 -15.1347 -15.1138 -15.1138 -15.1135 -15.1135 -13.3837 -13.3837 -7.0734 -7.0734 -7.0698 -7.0698 -6.9060 -6.9060 -2.9618 -2.9618 -2.7725 -2.7725 -2.6589 -2.6589 -2.1643 -2.1643 -1.8109 -1.8109 -1.7282 -1.7282 -1.6587 -1.6587 -1.4315 -1.4315 -1.3049 -1.3049 -0.7864 -0.7864 -0.6009 -0.6009 -0.5566 -0.5566 -0.2426 -0.2426 0.0625 0.0625 0.5621 0.5621 0.9128 0.9128 0.9441 0.9441 1.8689 1.8689 1.9205 1.9205 1.9443 1.9443 2.0445 2.0445 2.0797 2.0797 2.0997 2.0997 4.1987 4.1987 5.3971 5.3971 5.4217 5.4217 5.5261 5.5261 5.6181 5.6181 5.6797 5.6797 5.6917 5.6917 6.1820 6.1820 6.1961 6.1961 6.6314 6.6314 k = 0.2500 0.2500 0.2500 ( 13379 PWs) bands (ev): -17.0397 -17.0397 -16.8984 -16.8984 -16.8976 -16.8976 -15.1395 -15.1395 -15.1184 -15.1184 -15.1181 -15.1181 -13.3848 -13.3848 -7.0525 -7.0525 -7.0488 -7.0488 -6.8967 -6.8967 -2.9971 -2.9971 -2.8124 -2.8124 -2.7030 -2.7030 -2.1436 -2.1436 -1.8342 -1.8342 -1.7297 -1.7297 -1.6727 -1.6727 -1.4185 -1.4185 -1.2808 -1.2808 -0.8030 -0.8030 -0.5900 -0.5900 -0.5505 -0.5505 -0.2524 -0.2524 0.0559 0.0559 0.5751 0.5751 0.9376 0.9376 0.9684 0.9684 1.8603 1.8603 1.9034 1.9034 1.9408 1.9408 2.0359 2.0359 2.0713 2.0713 2.0864 2.0864 4.2558 4.2558 5.4163 5.4163 5.4397 5.4397 5.5635 5.5635 5.6127 5.6127 5.6791 5.6791 5.6896 5.6896 6.2088 6.2088 6.2231 6.2231 6.6736 6.6736 k = 0.2600 0.2600 0.2600 ( 13367 PWs) bands (ev): -17.0311 -17.0311 -16.8987 -16.8987 -16.8979 -16.8979 -15.1441 -15.1441 -15.1231 -15.1231 -15.1228 -15.1228 -13.3861 -13.3861 -7.0312 -7.0312 -7.0273 -7.0273 -6.8868 -6.8868 -3.0339 -3.0339 -2.8527 -2.8527 -2.7481 -2.7481 -2.1220 -2.1220 -1.8597 -1.8597 -1.7331 -1.7331 -1.6861 -1.6861 -1.4029 -1.4029 -1.2525 -1.2525 -0.8203 -0.8203 -0.5791 -0.5791 -0.5427 -0.5427 -0.2594 -0.2594 0.0506 0.0506 0.5880 0.5880 0.9625 0.9625 0.9927 0.9927 1.8451 1.8451 1.8904 1.8904 1.9349 1.9349 2.0241 2.0241 2.0627 2.0627 2.0733 2.0733 4.3110 4.3110 5.4358 5.4358 5.4580 5.4580 5.5926 5.5926 5.6175 5.6175 5.6807 5.6807 5.6879 5.6879 6.2351 6.2351 6.2498 6.2498 6.7149 6.7149 k = 0.2700 0.2700 0.2700 ( 13373 PWs) bands (ev): -17.0226 -17.0226 -16.8991 -16.8991 -16.8982 -16.8982 -15.1486 -15.1486 -15.1278 -15.1278 -15.1275 -15.1275 -13.3876 -13.3876 -7.0096 -7.0096 -7.0057 -7.0057 -6.8764 -6.8764 -3.0719 -3.0719 -2.8933 -2.8933 -2.7940 -2.7940 -2.1003 -2.1003 -1.8864 -1.8864 -1.7381 -1.7381 -1.6990 -1.6990 -1.3851 -1.3851 -1.2210 -1.2210 -0.8373 -0.8373 -0.5684 -0.5684 -0.5342 -0.5342 -0.2634 -0.2634 0.0465 0.0465 0.6008 0.6008 0.9873 0.9873 1.0167 1.0167 1.8246 1.8246 1.8804 1.8804 1.9269 1.9269 2.0093 2.0093 2.0538 2.0538 2.0599 2.0599 4.3640 4.3640 5.4555 5.4555 5.4765 5.4765 5.5963 5.5963 5.6449 5.6449 5.6869 5.6869 5.6892 5.6892 6.2609 6.2609 6.2761 6.2761 6.7553 6.7553 k = 0.2800 0.2800 0.2800 ( 13385 PWs) bands (ev): -17.0141 -17.0141 -16.8994 -16.8994 -16.8985 -16.8985 -15.1528 -15.1528 -15.1324 -15.1324 -15.1321 -15.1321 -13.3894 -13.3894 -6.9877 -6.9877 -6.9837 -6.9837 -6.8654 -6.8654 -3.1108 -3.1108 -2.9340 -2.9340 -2.8403 -2.8403 -2.0795 -2.0795 -1.9126 -1.9126 -1.7443 -1.7443 -1.7114 -1.7114 -1.3658 -1.3658 -1.1874 -1.1874 -0.8531 -0.8531 -0.5577 -0.5577 -0.5257 -0.5257 -0.2642 -0.2642 0.0438 0.0438 0.6133 0.6133 1.0121 1.0121 1.0405 1.0405 1.8011 1.8011 1.8710 1.8710 1.9171 1.9171 1.9921 1.9921 2.0443 2.0443 2.0460 2.0460 4.4146 4.4146 5.4753 5.4753 5.4952 5.4952 5.5952 5.5952 5.6624 5.6624 5.6865 5.6865 5.7166 5.7166 6.2860 6.2860 6.3018 6.3018 6.7944 6.7944 k = 0.2900 0.2900 0.2900 ( 13382 PWs) bands (ev): -17.0057 -17.0057 -16.8997 -16.8997 -16.8988 -16.8988 -15.1569 -15.1569 -15.1370 -15.1370 -15.1367 -15.1367 -13.3913 -13.3913 -6.9658 -6.9658 -6.9617 -6.9617 -6.8539 -6.8539 -3.1502 -3.1502 -2.9746 -2.9746 -2.8869 -2.8869 -2.0618 -2.0618 -1.9360 -1.9360 -1.7513 -1.7513 -1.7233 -1.7233 -1.3453 -1.3453 -1.1527 -1.1527 -0.8670 -0.8670 -0.5471 -0.5471 -0.5178 -0.5178 -0.2618 -0.2618 0.0424 0.0424 0.6256 0.6256 1.0369 1.0369 1.0641 1.0641 1.7759 1.7759 1.8611 1.8611 1.9057 1.9057 1.9730 1.9730 2.0312 2.0312 2.0340 2.0340 4.4629 4.4629 5.4951 5.4951 5.5139 5.5139 5.5950 5.5950 5.6685 5.6685 5.6868 5.6868 5.7586 5.7586 6.3102 6.3102 6.3267 6.3267 6.8323 6.8323 k = 0.3000 0.3000 0.3000 ( 13364 PWs) bands (ev): -16.9974 -16.9974 -16.9000 -16.9000 -16.8990 -16.8990 -15.1608 -15.1608 -15.1416 -15.1416 -15.1413 -15.1413 -13.3935 -13.3935 -6.9437 -6.9437 -6.9396 -6.9396 -6.8420 -6.8420 -3.1899 -3.1899 -3.0149 -3.0149 -2.9334 -2.9334 -2.0516 -2.0516 -1.9519 -1.9519 -1.7590 -1.7590 -1.7347 -1.7347 -1.3241 -1.3241 -1.1183 -1.1183 -0.8780 -0.8780 -0.5366 -0.5366 -0.5106 -0.5106 -0.2560 -0.2560 0.0424 0.0424 0.6376 0.6376 1.0614 1.0614 1.0873 1.0873 1.7496 1.7496 1.8500 1.8500 1.8929 1.8929 1.9522 1.9522 2.0156 2.0156 2.0228 2.0228 4.5086 4.5086 5.5148 5.5148 5.5324 5.5324 5.5961 5.5961 5.6722 5.6722 5.6879 5.6879 5.8052 5.8052 6.3334 6.3334 6.3507 6.3507 6.8686 6.8686 k = 0.3100 0.3100 0.3100 ( 13373 PWs) bands (ev): -16.9893 -16.9893 -16.9003 -16.9003 -16.8993 -16.8993 -15.1644 -15.1644 -15.1461 -15.1461 -15.1457 -15.1457 -13.3958 -13.3958 -6.9217 -6.9217 -6.9176 -6.9176 -6.8298 -6.8298 -3.2297 -3.2297 -3.0548 -3.0548 -2.9796 -2.9796 -2.0551 -2.0551 -1.9541 -1.9541 -1.7670 -1.7670 -1.7455 -1.7455 -1.3025 -1.3025 -1.0861 -1.0861 -0.8844 -0.8844 -0.5261 -0.5261 -0.5044 -0.5044 -0.2470 -0.2470 0.0438 0.0438 0.6493 0.6493 1.0858 1.0858 1.1102 1.1102 1.7223 1.7223 1.8375 1.8375 1.8790 1.8790 1.9300 1.9300 1.9992 1.9992 2.0106 2.0106 4.5517 4.5517 5.5342 5.5342 5.5508 5.5508 5.5988 5.5988 5.6758 5.6758 5.6898 5.6898 5.8540 5.8540 6.3557 6.3557 6.3738 6.3738 6.9032 6.9032 k = 0.3200 0.3200 0.3200 ( 13379 PWs) bands (ev): -16.9813 -16.9813 -16.9006 -16.9006 -16.8995 -16.8995 -15.1679 -15.1679 -15.1505 -15.1505 -15.1501 -15.1501 -13.3983 -13.3983 -6.8998 -6.8998 -6.8957 -6.8957 -6.8172 -6.8172 -3.2693 -3.2693 -3.0940 -3.0940 -3.0252 -3.0252 -2.0713 -2.0713 -1.9435 -1.9435 -1.7752 -1.7752 -1.7558 -1.7558 -1.2809 -1.2809 -1.0586 -1.0586 -0.8841 -0.8841 -0.5158 -0.5158 -0.4989 -0.4989 -0.2348 -0.2348 0.0465 0.0465 0.6607 0.6607 1.1099 1.1099 1.1328 1.1328 1.6941 1.6941 1.8236 1.8236 1.8641 1.8641 1.9067 1.9067 1.9823 1.9823 1.9974 1.9974 4.5922 4.5922 5.5533 5.5533 5.5689 5.5689 5.6030 5.6030 5.6797 5.6797 5.6924 5.6924 5.9040 5.9040 6.3767 6.3767 6.3958 6.3958 6.9360 6.9360 k = 0.3300 0.3300 0.3300 ( 13373 PWs) bands (ev): -16.9736 -16.9736 -16.9008 -16.9008 -16.8997 -16.8997 -15.1711 -15.1711 -15.1547 -15.1547 -15.1544 -15.1544 -13.4010 -13.4010 -6.8781 -6.8781 -6.8741 -6.8741 -6.8044 -6.8044 -3.3085 -3.3085 -3.1324 -3.1324 -3.0700 -3.0700 -2.0937 -2.0937 -1.9267 -1.9267 -1.7835 -1.7835 -1.7653 -1.7653 -1.2595 -1.2595 -1.0389 -1.0389 -0.8746 -0.8746 -0.5056 -0.5056 -0.4940 -0.4940 -0.2198 -0.2198 0.0505 0.0505 0.6717 0.6717 1.1338 1.1338 1.1549 1.1549 1.6650 1.6650 1.8082 1.8082 1.8485 1.8485 1.8825 1.8825 1.9650 1.9650 1.9832 1.9832 4.6301 4.6301 5.5719 5.5719 5.5865 5.5865 5.6087 5.6087 5.6842 5.6842 5.6958 5.6958 5.9547 5.9547 6.3967 6.3967 6.4167 6.4167 6.9668 6.9668 k = 0.3400 0.3400 0.3400 ( 13379 PWs) bands (ev): -16.9661 -16.9661 -16.9011 -16.9011 -16.8999 -16.8999 -15.1741 -15.1741 -15.1589 -15.1589 -15.1585 -15.1585 -13.4037 -13.4037 -6.8567 -6.8567 -6.8528 -6.8528 -6.7914 -6.7914 -3.3470 -3.3470 -3.1698 -3.1698 -3.1138 -3.1138 -2.1181 -2.1181 -1.9080 -1.9080 -1.7917 -1.7917 -1.7739 -1.7739 -1.2386 -1.2386 -1.0281 -1.0281 -0.8548 -0.8548 -0.4955 -0.4955 -0.4896 -0.4896 -0.2021 -0.2021 0.0557 0.0557 0.6824 0.6824 1.1572 1.1572 1.1766 1.1766 1.6348 1.6348 1.7913 1.7913 1.8321 1.8321 1.8580 1.8580 1.9476 1.9476 1.9681 1.9681 4.6653 4.6653 5.5899 5.5899 5.6035 5.6035 5.6158 5.6158 5.6893 5.6893 5.7000 5.7000 6.0057 6.0057 6.4153 6.4153 6.4364 6.4364 6.9956 6.9956 k = 0.3500 0.3500 0.3500 ( 13373 PWs) bands (ev): -16.9590 -16.9590 -16.9013 -16.9013 -16.9000 -16.9000 -15.1768 -15.1768 -15.1629 -15.1629 -15.1625 -15.1625 -13.4065 -13.4065 -6.8358 -6.8358 -6.8320 -6.8320 -6.7784 -6.7784 -3.3847 -3.3847 -3.2061 -3.2061 -3.1563 -3.1563 -2.1428 -2.1428 -1.8895 -1.8895 -1.7997 -1.7997 -1.7814 -1.7814 -1.2184 -1.2184 -1.0247 -1.0247 -0.8272 -0.8272 -0.4857 -0.4857 -0.4854 -0.4854 -0.1819 -0.1819 0.0622 0.0622 0.6926 0.6926 1.1803 1.1803 1.1979 1.1979 1.6035 1.6035 1.7729 1.7729 1.8152 1.8152 1.8335 1.8335 1.9303 1.9303 1.9522 1.9522 4.6979 4.6979 5.6069 5.6069 5.6199 5.6199 5.6241 5.6241 5.6950 5.6950 5.7048 5.7048 6.0567 6.0567 6.4328 6.4328 6.4549 6.4549 7.0220 7.0220 k = 0.3600 0.3600 0.3600 ( 13361 PWs) bands (ev): -16.9521 -16.9521 -16.9015 -16.9015 -16.9002 -16.9002 -15.1794 -15.1794 -15.1667 -15.1667 -15.1663 -15.1663 -13.4093 -13.4093 -6.8155 -6.8155 -6.8117 -6.8117 -6.7655 -6.7655 -3.4213 -3.4213 -3.2411 -3.2411 -3.1972 -3.1972 -2.1670 -2.1670 -1.8723 -1.8723 -1.8074 -1.8074 -1.7872 -1.7872 -1.1991 -1.1991 -1.0258 -1.0258 -0.7949 -0.7949 -0.4812 -0.4812 -0.4762 -0.4762 -0.1595 -0.1595 0.0697 0.0697 0.7024 0.7024 1.2030 1.2030 1.2187 1.2187 1.5707 1.5707 1.7532 1.7532 1.7978 1.7978 1.8096 1.8096 1.9132 1.9132 1.9356 1.9356 4.7280 4.7280 5.6229 5.6229 5.6335 5.6335 5.6354 5.6354 5.7013 5.7013 5.7103 5.7103 6.1073 6.1073 6.4489 6.4489 6.4721 6.4721 7.0462 7.0462 k = 0.3700 0.3700 0.3700 ( 13367 PWs) bands (ev): -16.9456 -16.9456 -16.9016 -16.9016 -16.9003 -16.9003 -15.1817 -15.1817 -15.1703 -15.1703 -15.1699 -15.1699 -13.4122 -13.4122 -6.7958 -6.7958 -6.7921 -6.7921 -6.7527 -6.7527 -3.4566 -3.4566 -3.2745 -3.2745 -3.2364 -3.2364 -2.1903 -2.1903 -1.8580 -1.8580 -1.8149 -1.8149 -1.7905 -1.7905 -1.1808 -1.1808 -1.0290 -1.0290 -0.7607 -0.7607 -0.4768 -0.4768 -0.4670 -0.4670 -0.1350 -0.1350 0.0782 0.0782 0.7118 0.7118 1.2252 1.2252 1.2390 1.2390 1.5365 1.5365 1.7326 1.7326 1.7799 1.7799 1.7864 1.7864 1.8965 1.8965 1.9187 1.9187 4.7556 4.7556 5.6372 5.6372 5.6443 5.6443 5.6500 5.6500 5.7082 5.7082 5.7164 5.7164 6.1572 6.1572 6.4638 6.4638 6.4880 6.4880 7.0679 7.0679 k = 0.3800 0.3800 0.3800 ( 13376 PWs) bands (ev): -16.9394 -16.9394 -16.9018 -16.9018 -16.9005 -16.9005 -15.1838 -15.1838 -15.1738 -15.1738 -15.1734 -15.1734 -13.4150 -13.4150 -6.7769 -6.7769 -6.7734 -6.7734 -6.7402 -6.7402 -3.4904 -3.4904 -3.3064 -3.3064 -3.2736 -3.2736 -2.2124 -2.2124 -1.8481 -1.8481 -1.8219 -1.8219 -1.7896 -1.7896 -1.1636 -1.1636 -1.0333 -1.0333 -0.7265 -0.7265 -0.4721 -0.4721 -0.4582 -0.4582 -0.1086 -0.1086 0.0876 0.0876 0.7206 0.7206 1.2468 1.2468 1.2588 1.2588 1.5008 1.5008 1.7115 1.7115 1.7617 1.7617 1.7641 1.7641 1.8804 1.8804 1.9017 1.9017 4.7807 4.7807 5.6496 5.6496 5.6563 5.6563 5.6636 5.6636 5.7157 5.7157 5.7230 5.7230 6.2061 6.2061 6.4775 6.4775 6.5026 6.5026 7.0871 7.0871 k = 0.3900 0.3900 0.3900 ( 13382 PWs) bands (ev): -16.9337 -16.9337 -16.9019 -16.9019 -16.9006 -16.9006 -15.1857 -15.1857 -15.1770 -15.1770 -15.1766 -15.1766 -13.4177 -13.4177 -6.7589 -6.7589 -6.7556 -6.7556 -6.7280 -6.7280 -3.5225 -3.5225 -3.3363 -3.3363 -3.3087 -3.3087 -2.2331 -2.2331 -1.8438 -1.8438 -1.8285 -1.8285 -1.7839 -1.7839 -1.1476 -1.1476 -1.0377 -1.0377 -0.6935 -0.6935 -0.4669 -0.4669 -0.4498 -0.4498 -0.0805 -0.0805 0.0976 0.0976 0.7289 0.7289 1.2680 1.2680 1.2780 1.2780 1.4637 1.4637 1.6907 1.6907 1.7426 1.7426 1.7432 1.7432 1.8650 1.8650 1.8848 1.8848 4.8035 4.8035 5.6608 5.6608 5.6685 5.6685 5.6760 5.6760 5.7236 5.7236 5.7300 5.7300 6.2535 6.2535 6.4899 6.4899 6.5160 6.5160 7.1038 7.1038 k = 0.4000 0.4000 0.4000 ( 13394 PWs) bands (ev): -16.9284 -16.9284 -16.9020 -16.9020 -16.9007 -16.9007 -15.1873 -15.1873 -15.1800 -15.1800 -15.1796 -15.1796 -13.4204 -13.4204 -6.7420 -6.7420 -6.7388 -6.7388 -6.7164 -6.7164 -3.5526 -3.5526 -3.3644 -3.3644 -3.3414 -3.3414 -2.2523 -2.2523 -1.8438 -1.8438 -1.8347 -1.8347 -1.7746 -1.7746 -1.1329 -1.1329 -1.0421 -1.0421 -0.6626 -0.6626 -0.4612 -0.4612 -0.4419 -0.4419 -0.0509 -0.0509 0.1081 0.1081 0.7367 0.7367 1.2885 1.2885 1.2966 1.2966 1.4255 1.4255 1.6707 1.6707 1.7216 1.7216 1.7245 1.7245 1.8504 1.8504 1.8682 1.8682 4.8240 4.8240 5.6714 5.6714 5.6799 5.6799 5.6871 5.6871 5.7318 5.7318 5.7373 5.7373 6.2990 6.2990 6.5012 6.5012 6.5280 6.5280 7.1180 7.1180 k = 0.4100 0.4100 0.4100 ( 13388 PWs) bands (ev): -16.9235 -16.9235 -16.9021 -16.9021 -16.9008 -16.9008 -15.1888 -15.1888 -15.1827 -15.1827 -15.1823 -15.1823 -13.4229 -13.4229 -6.7262 -6.7262 -6.7232 -6.7232 -6.7053 -6.7053 -3.5806 -3.5806 -3.3902 -3.3902 -3.3716 -3.3716 -2.2699 -2.2699 -1.8460 -1.8460 -1.8403 -1.8403 -1.7639 -1.7639 -1.1195 -1.1195 -1.0461 -1.0461 -0.6344 -0.6344 -0.4548 -0.4548 -0.4346 -0.4346 -0.0203 -0.0203 0.1188 0.1188 0.7438 0.7438 1.3085 1.3085 1.3143 1.3143 1.3870 1.3870 1.6519 1.6519 1.7013 1.7013 1.7057 1.7057 1.8369 1.8369 1.8524 1.8524 4.8424 4.8424 5.6816 5.6816 5.6902 5.6902 5.6970 5.6970 5.7402 5.7402 5.7448 5.7448 6.3422 6.3422 6.5115 6.5115 6.5388 6.5388 7.1298 7.1298 k = 0.4200 0.4200 0.4200 ( 13379 PWs) bands (ev): -16.9190 -16.9190 -16.9022 -16.9022 -16.9008 -16.9008 -15.1901 -15.1901 -15.1852 -15.1852 -15.1848 -15.1848 -13.4252 -13.4252 -6.7118 -6.7118 -6.7089 -6.7089 -6.6951 -6.6951 -3.6063 -3.6063 -3.4138 -3.4138 -3.3991 -3.3991 -2.2858 -2.2858 -1.8492 -1.8492 -1.8455 -1.8455 -1.7531 -1.7531 -1.1075 -1.1075 -1.0497 -1.0497 -0.6096 -0.6096 -0.4477 -0.4477 -0.4280 -0.4280 0.0109 0.0109 0.1294 0.1294 0.7504 0.7504 1.3277 1.3277 1.3282 1.3282 1.3517 1.3517 1.6346 1.6346 1.6816 1.6816 1.6869 1.6869 1.8244 1.8244 1.8374 1.8374 4.8586 4.8586 5.6911 5.6911 5.6994 5.6994 5.7058 5.7058 5.7485 5.7485 5.7522 5.7522 6.3825 6.3825 6.5208 6.5208 6.5483 6.5483 7.1392 7.1392 k = 0.4300 0.4300 0.4300 ( 13385 PWs) bands (ev): -16.9151 -16.9151 -16.9023 -16.9023 -16.9009 -16.9009 -15.1913 -15.1913 -15.1874 -15.1874 -15.1870 -15.1870 -13.4274 -13.4274 -6.6987 -6.6987 -6.6960 -6.6960 -6.6857 -6.6857 -3.6295 -3.6295 -3.4350 -3.4350 -3.4237 -3.4237 -2.3000 -2.3000 -1.8525 -1.8525 -1.8501 -1.8501 -1.7431 -1.7431 -1.0969 -1.0969 -1.0528 -1.0528 -0.5884 -0.5884 -0.4401 -0.4401 -0.4220 -0.4220 0.0422 0.0422 0.1398 0.1398 0.7562 0.7562 1.3057 1.3057 1.3462 1.3462 1.3526 1.3526 1.6190 1.6190 1.6625 1.6625 1.6684 1.6684 1.8131 1.8131 1.8236 1.8236 4.8727 4.8727 5.6998 5.6998 5.7076 5.7076 5.7133 5.7133 5.7564 5.7564 5.7593 5.7593 6.4194 6.4194 6.5294 6.5294 6.5566 6.5566 7.1465 7.1465 k = 0.4400 0.4400 0.4400 ( 13376 PWs) bands (ev): -16.9117 -16.9117 -16.9023 -16.9023 -16.9009 -16.9009 -15.1922 -15.1922 -15.1894 -15.1894 -15.1890 -15.1890 -13.4293 -13.4293 -6.6872 -6.6872 -6.6845 -6.6845 -6.6772 -6.6772 -3.6500 -3.6500 -3.4536 -3.4536 -3.4453 -3.4453 -2.3124 -2.3124 -1.8557 -1.8557 -1.8541 -1.8541 -1.7341 -1.7341 -1.0878 -1.0878 -1.0555 -1.0555 -0.5709 -0.5709 -0.4322 -0.4322 -0.4167 -0.4167 0.0728 0.0728 0.1495 0.1495 0.7614 0.7614 1.2699 1.2699 1.3637 1.3637 1.3677 1.3677 1.6052 1.6052 1.6444 1.6444 1.6504 1.6504 1.8031 1.8031 1.8112 1.8112 4.8849 4.8849 5.7074 5.7074 5.7149 5.7149 5.7198 5.7198 5.7637 5.7637 5.7659 5.7659 6.4520 6.4520 6.5377 6.5377 6.5637 6.5637 7.1518 7.1518 k = 0.4500 0.4500 0.4500 ( 13388 PWs) bands (ev): -16.9088 -16.9088 -16.9023 -16.9023 -16.9010 -16.9010 -15.1930 -15.1930 -15.1910 -15.1910 -15.1906 -15.1906 -13.4310 -13.4310 -6.6772 -6.6772 -6.6747 -6.6747 -6.6698 -6.6698 -3.6676 -3.6676 -3.4696 -3.4696 -3.4638 -3.4638 -2.3229 -2.3229 -1.8585 -1.8585 -1.8575 -1.8575 -1.7263 -1.7263 -1.0800 -1.0800 -1.0577 -1.0577 -0.5569 -0.5569 -0.4243 -0.4243 -0.4122 -0.4122 0.1016 0.1016 0.1584 0.1584 0.7659 0.7659 1.2358 1.2358 1.3802 1.3802 1.3828 1.3828 1.5932 1.5932 1.6274 1.6274 1.6332 1.6332 1.7945 1.7945 1.8003 1.8003 4.8951 4.8951 5.7138 5.7138 5.7213 5.7213 5.7252 5.7252 5.7702 5.7702 5.7718 5.7718 6.4794 6.4794 6.5461 6.5461 6.5696 6.5696 7.1554 7.1554 k = 0.4600 0.4600 0.4600 ( 13370 PWs) bands (ev): -16.9065 -16.9065 -16.9022 -16.9022 -16.9010 -16.9010 -15.1937 -15.1937 -15.1924 -15.1924 -15.1920 -15.1920 -13.4324 -13.4324 -6.6691 -6.6691 -6.6665 -6.6665 -6.6636 -6.6636 -3.6822 -3.6822 -3.4828 -3.4828 -3.4791 -3.4791 -2.3316 -2.3316 -1.8609 -1.8609 -1.8603 -1.8603 -1.7199 -1.7199 -1.0737 -1.0737 -1.0595 -1.0595 -0.5462 -0.5462 -0.4170 -0.4170 -0.4085 -0.4085 0.1277 0.1277 0.1661 0.1661 0.7696 0.7696 1.2052 1.2052 1.3954 1.3954 1.3969 1.3969 1.5829 1.5829 1.6122 1.6122 1.6172 1.6172 1.7874 1.7874 1.7912 1.7912 4.9034 4.9034 5.7189 5.7189 5.7269 5.7269 5.7296 5.7296 5.7758 5.7758 5.7768 5.7768 6.5004 6.5004 6.5553 6.5553 6.5745 6.5745 7.1576 7.1576 k = 0.4700 0.4700 0.4700 ( 13352 PWs) bands (ev): -16.9048 -16.9048 -16.9020 -16.9020 -16.9010 -16.9010 -15.1942 -15.1942 -15.1934 -15.1934 -15.1931 -15.1931 -13.4335 -13.4335 -6.6627 -6.6627 -6.6601 -6.6601 -6.6586 -6.6586 -3.6937 -3.6937 -3.4932 -3.4932 -3.4911 -3.4911 -2.3383 -2.3383 -1.8628 -1.8628 -1.8625 -1.8625 -1.7149 -1.7149 -1.0688 -1.0688 -1.0608 -1.0608 -0.5383 -0.5383 -0.4107 -0.4107 -0.4056 -0.4056 0.1497 0.1497 0.1724 0.1724 0.7725 0.7725 1.1796 1.1796 1.4086 1.4086 1.4094 1.4094 1.5743 1.5743 1.5993 1.5993 1.6032 1.6032 1.7817 1.7817 1.7840 1.7840 4.9098 4.9098 5.7228 5.7228 5.7314 5.7314 5.7331 5.7331 5.7802 5.7802 5.7808 5.7808 6.5146 6.5146 6.5652 6.5652 6.5782 6.5782 7.1589 7.1589 k = 0.4800 0.4800 0.4800 ( 13352 PWs) bands (ev): -16.9038 -16.9038 -16.9017 -16.9017 -16.9011 -16.9011 -15.1947 -15.1947 -15.1940 -15.1940 -15.1938 -15.1938 -13.4343 -13.4343 -6.6582 -6.6582 -6.6554 -6.6554 -6.6548 -6.6548 -3.7020 -3.7020 -3.5007 -3.5007 -3.4997 -3.4997 -2.3432 -2.3432 -1.8642 -1.8642 -1.8641 -1.8641 -1.7113 -1.7113 -1.0653 -1.0653 -1.0617 -1.0617 -0.5329 -0.5329 -0.4059 -0.4059 -0.4035 -0.4035 0.1666 0.1666 0.1770 0.1770 0.7746 0.7746 1.1602 1.1602 1.4193 1.4193 1.4196 1.4196 1.5673 1.5673 1.5896 1.5896 1.5919 1.5919 1.7777 1.7777 1.7787 1.7787 4.9144 4.9144 5.7255 5.7255 5.7347 5.7347 5.7355 5.7355 5.7835 5.7835 5.7837 5.7837 6.5231 6.5231 6.5743 6.5743 6.5808 6.5808 7.1595 7.1595 k = 0.4900 0.4900 0.4900 ( 13358 PWs) bands (ev): -16.9034 -16.9034 -16.9012 -16.9012 -16.9011 -16.9011 -15.1951 -15.1951 -15.1944 -15.1944 -15.1943 -15.1943 -13.4348 -13.4348 -6.6556 -6.6556 -6.6526 -6.6526 -6.6525 -6.6525 -3.7070 -3.7070 -3.5052 -3.5052 -3.5049 -3.5049 -2.3461 -2.3461 -1.8651 -1.8651 -1.8650 -1.8650 -1.7091 -1.7091 -1.0632 -1.0632 -1.0623 -1.0623 -0.5298 -0.5298 -0.4028 -0.4028 -0.4022 -0.4022 0.1772 0.1772 0.1799 0.1799 0.7758 0.7758 1.1480 1.1480 1.4263 1.4263 1.4264 1.4264 1.5625 1.5625 1.5837 1.5837 1.5844 1.5844 1.7752 1.7752 1.7755 1.7755 4.9171 4.9171 5.7272 5.7272 5.7368 5.7368 5.7370 5.7370 5.7855 5.7855 5.7855 5.7855 6.5275 6.5275 6.5807 6.5807 6.5824 6.5824 7.1598 7.1598 k = 0.5000 0.5000 0.5000 ( 13416 PWs) bands (ev): -16.9033 -16.9033 -16.9011 -16.9011 -16.9011 -16.9011 -15.1952 -15.1952 -15.1945 -15.1945 -15.1945 -15.1945 -13.4350 -13.4350 -6.6548 -6.6548 -6.6517 -6.6517 -6.6517 -6.6517 -3.7087 -3.7087 -3.5067 -3.5067 -3.5067 -3.5067 -2.3471 -2.3471 -1.8654 -1.8654 -1.8654 -1.8654 -1.7084 -1.7084 -1.0625 -1.0625 -1.0625 -1.0625 -0.5288 -0.5288 -0.4018 -0.4018 -0.4018 -0.4018 0.1809 0.1809 0.1809 0.1809 0.7763 0.7763 1.1439 1.1439 1.4288 1.4288 1.4288 1.4288 1.5607 1.5607 1.5818 1.5818 1.5818 1.5818 1.7744 1.7744 1.7744 1.7744 4.9180 4.9180 5.7277 5.7277 5.7374 5.7374 5.7374 5.7374 5.7861 5.7861 5.7861 5.7861 6.5288 6.5288 6.5829 6.5829 6.5829 6.5829 7.1598 7.1598 k = 0.5000 0.5000 0.5000 ( 13416 PWs) bands (ev): -16.9033 -16.9033 -16.9011 -16.9011 -16.9011 -16.9011 -15.1952 -15.1952 -15.1945 -15.1945 -15.1945 -15.1945 -13.4350 -13.4350 -6.6548 -6.6548 -6.6517 -6.6517 -6.6517 -6.6517 -3.7087 -3.7087 -3.5067 -3.5067 -3.5067 -3.5067 -2.3471 -2.3471 -1.8654 -1.8654 -1.8654 -1.8654 -1.7084 -1.7084 -1.0625 -1.0625 -1.0625 -1.0625 -0.5288 -0.5288 -0.4018 -0.4018 -0.4018 -0.4018 0.1809 0.1809 0.1809 0.1809 0.7763 0.7763 1.1439 1.1439 1.4288 1.4288 1.4288 1.4288 1.5607 1.5607 1.5818 1.5818 1.5818 1.5818 1.7744 1.7744 1.7744 1.7744 4.9180 4.9180 5.7277 5.7277 5.7374 5.7374 5.7374 5.7374 5.7861 5.7861 5.7861 5.7861 6.5288 6.5288 6.5829 6.5829 6.5829 6.5829 7.1598 7.1598 k = 0.4878 0.5000 0.4878 ( 13366 PWs) bands (ev): -16.9034 -16.9034 -16.9012 -16.9012 -16.9011 -16.9011 -15.1951 -15.1951 -15.1944 -15.1944 -15.1943 -15.1943 -13.4348 -13.4348 -6.6557 -6.6557 -6.6530 -6.6530 -6.6520 -6.6520 -3.7071 -3.7071 -3.5056 -3.5056 -3.5045 -3.5045 -2.3461 -2.3461 -1.8652 -1.8652 -1.8649 -1.8649 -1.7091 -1.7091 -1.0631 -1.0631 -1.0624 -1.0624 -0.5298 -0.5298 -0.4028 -0.4028 -0.4022 -0.4022 0.1772 0.1772 0.1799 0.1799 0.7759 0.7759 1.1480 1.1480 1.4254 1.4254 1.4273 1.4273 1.5625 1.5625 1.5833 1.5833 1.5848 1.5848 1.7751 1.7751 1.7756 1.7756 4.9171 4.9171 5.7272 5.7272 5.7367 5.7367 5.7370 5.7370 5.7854 5.7854 5.7856 5.7856 6.5275 6.5275 6.5807 6.5807 6.5824 6.5824 7.1598 7.1598 k = 0.4756 0.5000 0.4756 ( 13358 PWs) bands (ev): -16.9038 -16.9038 -16.9017 -16.9017 -16.9010 -16.9010 -15.1950 -15.1950 -15.1940 -15.1940 -15.1936 -15.1936 -13.4343 -13.4343 -6.6591 -6.6591 -6.6568 -6.6568 -6.6525 -6.6525 -3.7021 -3.7021 -3.5025 -3.5025 -3.4980 -3.4980 -2.3432 -2.3432 -1.8648 -1.8648 -1.8635 -1.8635 -1.7113 -1.7113 -1.0650 -1.0650 -1.0620 -1.0620 -0.5329 -0.5329 -0.4057 -0.4057 -0.4035 -0.4035 0.1666 0.1666 0.1772 0.1772 0.7746 0.7746 1.1600 1.1600 1.4159 1.4159 1.4232 1.4232 1.5672 1.5672 1.5879 1.5879 1.5934 1.5934 1.7773 1.7773 1.7790 1.7790 4.9144 4.9144 5.7255 5.7255 5.7347 5.7347 5.7356 5.7356 5.7833 5.7833 5.7839 5.7839 6.5232 6.5232 6.5742 6.5742 6.5809 6.5809 7.1595 7.1595 k = 0.4634 0.5000 0.4634 ( 13350 PWs) bands (ev): -16.9045 -16.9045 -16.9025 -16.9025 -16.9008 -16.9008 -15.1952 -15.1952 -15.1931 -15.1931 -15.1925 -15.1925 -13.4335 -13.4335 -6.6652 -6.6652 -6.6630 -6.6630 -6.6529 -6.6529 -3.6941 -3.6941 -3.4972 -3.4972 -3.4872 -3.4872 -2.3384 -2.3384 -1.8641 -1.8641 -1.8613 -1.8613 -1.7148 -1.7148 -1.0682 -1.0682 -1.0614 -1.0614 -0.5381 -0.5381 -0.4105 -0.4105 -0.4057 -0.4057 0.1498 0.1498 0.1726 0.1726 0.7725 0.7725 1.1792 1.1792 1.4019 1.4019 1.4168 1.4168 1.5742 1.5742 1.5953 1.5953 1.6066 1.6066 1.7809 1.7809 1.7848 1.7848 4.9099 4.9099 5.7227 5.7227 5.7313 5.7313 5.7334 5.7334 5.7799 5.7799 5.7812 5.7812 6.5152 6.5152 6.5641 6.5641 6.5790 6.5790 7.1591 7.1591 k = 0.4512 0.5000 0.4512 ( 13362 PWs) bands (ev): -16.9058 -16.9058 -16.9035 -16.9035 -16.9004 -16.9004 -15.1954 -15.1954 -15.1919 -15.1919 -15.1909 -15.1909 -13.4324 -13.4324 -6.6738 -6.6738 -6.6717 -6.6717 -6.6532 -6.6532 -3.6833 -3.6833 -3.4896 -3.4896 -3.4722 -3.4722 -2.3318 -2.3318 -1.8631 -1.8631 -1.8581 -1.8581 -1.7198 -1.7198 -1.0726 -1.0726 -1.0605 -1.0605 -0.5458 -0.5458 -0.4167 -0.4167 -0.4088 -0.4088 0.1280 0.1280 0.1664 0.1664 0.7697 0.7697 1.2044 1.2044 1.3848 1.3848 1.4086 1.4086 1.5829 1.5829 1.6051 1.6051 1.6231 1.6231 1.7859 1.7859 1.7927 1.7927 4.9036 4.9036 5.7186 5.7186 5.7267 5.7267 5.7303 5.7303 5.7752 5.7752 5.7775 5.7775 6.5025 6.5025 6.5511 6.5511 6.5771 6.5771 7.1581 7.1581 k = 0.4390 0.5000 0.4390 ( 13382 PWs) bands (ev): -16.9075 -16.9075 -16.9047 -16.9047 -16.8998 -16.8998 -15.1958 -15.1958 -15.1902 -15.1902 -15.1888 -15.1888 -13.4310 -13.4310 -6.6848 -6.6848 -6.6825 -6.6825 -6.6535 -6.6535 -3.6700 -3.6700 -3.4794 -3.4794 -3.4531 -3.4531 -2.3233 -2.3233 -1.8617 -1.8617 -1.8541 -1.8541 -1.7263 -1.7263 -1.0783 -1.0783 -1.0594 -1.0594 -0.5561 -0.5561 -0.4242 -0.4242 -0.4126 -0.4126 0.1024 0.1024 0.1585 0.1585 0.7661 0.7661 1.2344 1.2344 1.3655 1.3655 1.3991 1.3991 1.5931 1.5931 1.6168 1.6168 1.6418 1.6418 1.7924 1.7924 1.8027 1.8027 4.8954 4.8954 5.7130 5.7130 5.7213 5.7213 5.7263 5.7263 5.7692 5.7692 5.7729 5.7729 6.4844 6.4844 6.5361 6.5361 6.5756 6.5756 7.1563 7.1563 k = 0.4268 0.5000 0.4268 ( 13382 PWs) bands (ev): -16.9097 -16.9097 -16.9060 -16.9060 -16.8990 -16.8990 -15.1963 -15.1963 -15.1883 -15.1883 -15.1863 -15.1863 -13.4294 -13.4294 -6.6981 -6.6981 -6.6954 -6.6954 -6.6539 -6.6539 -3.6547 -3.6547 -3.4664 -3.4664 -3.4302 -3.4302 -2.3131 -2.3131 -1.8601 -1.8601 -1.8492 -1.8492 -1.7342 -1.7342 -1.0852 -1.0852 -1.0581 -1.0581 -0.5693 -0.5693 -0.4325 -0.4325 -0.4171 -0.4171 0.0744 0.0744 0.1491 0.1491 0.7618 0.7618 1.2679 1.2679 1.3448 1.3448 1.3886 1.3886 1.6049 1.6049 1.6301 1.6301 1.6621 1.6621 1.8003 1.8003 1.8147 1.8147 4.8855 4.8855 5.7059 5.7059 5.7150 5.7150 5.7215 5.7215 5.7622 5.7622 5.7674 5.7674 6.4610 6.4610 6.5194 6.5194 6.5745 6.5745 7.1537 7.1537 k = 0.4146 0.5000 0.4146 ( 13386 PWs) bands (ev): -16.9124 -16.9124 -16.9075 -16.9075 -16.8981 -16.8981 -15.1968 -15.1968 -15.1860 -15.1860 -15.1834 -15.1834 -13.4274 -13.4274 -6.7134 -6.7134 -6.7101 -6.7101 -6.6544 -6.6544 -3.6379 -3.6379 -3.4503 -3.4503 -3.4035 -3.4035 -2.3013 -2.3013 -1.8582 -1.8582 -1.8435 -1.8435 -1.7434 -1.7434 -1.0932 -1.0932 -1.0566 -1.0566 -0.5855 -0.5855 -0.4413 -0.4413 -0.4223 -0.4223 0.0449 0.0449 0.1384 0.1384 0.7569 0.7569 1.3030 1.3030 1.3236 1.3236 1.3774 1.3774 1.6180 1.6180 1.6445 1.6445 1.6837 1.6837 1.8096 1.8096 1.8286 1.8286 4.8738 4.8738 5.6974 5.6974 5.7080 5.7080 5.7157 5.7157 5.7543 5.7543 5.7612 5.7612 6.4332 6.4332 6.5007 6.5007 6.5737 6.5737 7.1499 7.1499 k = 0.4024 0.5000 0.4024 ( 13396 PWs) bands (ev): -16.9154 -16.9154 -16.9093 -16.9093 -16.8971 -16.8971 -15.1974 -15.1974 -15.1833 -15.1833 -15.1800 -15.1800 -13.4253 -13.4253 -6.7307 -6.7307 -6.7265 -6.7265 -6.6549 -6.6549 -3.6202 -3.6202 -3.4308 -3.4308 -3.3733 -3.3733 -2.2878 -2.2878 -1.8560 -1.8560 -1.8369 -1.8369 -1.7540 -1.7540 -1.1024 -1.1024 -1.0550 -1.0550 -0.6047 -0.6047 -0.4504 -0.4504 -0.4280 -0.4280 0.0150 0.0150 0.1265 0.1265 0.7513 0.7513 1.2986 1.2986 1.3414 1.3414 1.3664 1.3664 1.6322 1.6322 1.6596 1.6596 1.7061 1.7061 1.8203 1.8203 1.8442 1.8442 4.8603 4.8603 5.6876 5.6876 5.7003 5.7003 5.7088 5.7088 5.7455 5.7455 5.7546 5.7546 6.4019 6.4019 6.4799 6.4799 6.5731 6.5731 7.1448 7.1448 k = 0.3902 0.5000 0.3902 ( 13372 PWs) bands (ev): -16.9187 -16.9187 -16.9112 -16.9112 -16.8959 -16.8959 -15.1980 -15.1980 -15.1803 -15.1803 -15.1763 -15.1763 -13.4230 -13.4230 -6.7496 -6.7496 -6.7444 -6.7444 -6.6554 -6.6554 -3.6021 -3.6021 -3.4077 -3.4077 -3.3399 -3.3399 -2.2730 -2.2730 -1.8536 -1.8536 -1.8296 -1.8296 -1.7658 -1.7658 -1.1128 -1.1128 -1.0533 -1.0533 -0.6266 -0.6266 -0.4598 -0.4598 -0.4341 -0.4341 -0.0146 -0.0146 0.1136 0.1136 0.7452 0.7452 1.2748 1.2748 1.3510 1.3510 1.3824 1.3824 1.6473 1.6473 1.6754 1.6754 1.7294 1.7294 1.8323 1.8323 1.8614 1.8614 4.8449 4.8449 5.6767 5.6767 5.6919 5.6919 5.7007 5.7007 5.7363 5.7363 5.7476 5.7476 6.3678 6.3678 6.4569 6.4569 6.5724 6.5724 7.1385 7.1385 k = 0.3780 0.5000 0.3780 ( 13376 PWs) bands (ev): -16.9224 -16.9224 -16.9134 -16.9134 -16.8946 -16.8946 -15.1987 -15.1987 -15.1770 -15.1770 -15.1723 -15.1723 -13.4205 -13.4205 -6.7701 -6.7701 -6.7636 -6.7636 -6.6560 -6.6560 -3.5841 -3.5841 -3.3808 -3.3808 -3.3034 -3.3034 -2.2569 -2.2569 -1.8513 -1.8513 -1.8215 -1.8215 -1.7784 -1.7784 -1.1243 -1.1243 -1.0516 -1.0516 -0.6508 -0.6508 -0.4696 -0.4696 -0.4402 -0.4402 -0.0434 -0.0434 0.0999 0.0999 0.7386 0.7386 1.2499 1.2499 1.3387 1.3387 1.4204 1.4204 1.6631 1.6631 1.6914 1.6914 1.7532 1.7532 1.8456 1.8456 1.8799 1.8799 4.8278 4.8278 5.6647 5.6647 5.6828 5.6828 5.6914 5.6914 5.7266 5.7266 5.7405 5.7405 6.3317 6.3317 6.4317 6.4317 6.5714 6.5714 7.1308 7.1308 k = 0.3659 0.5000 0.3659 ( 13364 PWs) bands (ev): -16.9264 -16.9264 -16.9157 -16.9157 -16.8932 -16.8932 -15.1994 -15.1994 -15.1734 -15.1734 -15.1679 -15.1679 -13.4178 -13.4178 -6.7920 -6.7920 -6.7838 -6.7838 -6.6567 -6.6567 -3.5662 -3.5662 -3.3503 -3.3503 -3.2641 -3.2641 -2.2397 -2.2397 -1.8496 -1.8496 -1.8128 -1.8128 -1.7909 -1.7909 -1.1369 -1.1369 -1.0500 -1.0500 -0.6766 -0.6766 -0.4799 -0.4799 -0.4463 -0.4463 -0.0710 -0.0710 0.0854 0.0854 0.7316 0.7316 1.2243 1.2243 1.3253 1.3253 1.4587 1.4587 1.6794 1.6794 1.7076 1.7076 1.7774 1.7774 1.8600 1.8600 1.8996 1.8996 4.8090 4.8090 5.6516 5.6516 5.6727 5.6727 5.6812 5.6812 5.7165 5.7165 5.7334 5.7334 6.2943 6.2943 6.4043 6.4043 6.5699 6.5699 7.1219 7.1219 k = 0.3537 0.5000 0.3537 ( 13370 PWs) bands (ev): -16.9306 -16.9306 -16.9181 -16.9181 -16.8917 -16.8917 -15.2002 -15.2002 -15.1696 -15.1696 -15.1633 -15.1633 -13.4150 -13.4150 -6.8149 -6.8149 -6.8049 -6.8049 -6.6573 -6.6573 -3.5487 -3.5487 -3.3163 -3.3163 -3.2223 -3.2223 -2.2217 -2.2217 -1.8504 -1.8504 -1.8060 -1.8060 -1.7991 -1.7991 -1.1506 -1.1506 -1.0485 -1.0485 -0.7034 -0.7034 -0.4909 -0.4909 -0.4521 -0.4521 -0.0972 -0.0972 0.0705 0.0705 0.7241 0.7241 1.1979 1.1979 1.3113 1.3113 1.4967 1.4967 1.6958 1.6958 1.7237 1.7237 1.8019 1.8019 1.8753 1.8753 1.9202 1.9202 4.7884 4.7884 5.6377 5.6377 5.6610 5.6610 5.6711 5.6711 5.7061 5.7061 5.7266 5.7266 6.2560 6.2560 6.3749 6.3749 6.5677 6.5677 7.1119 7.1119 k = 0.3415 0.5000 0.3415 ( 13340 PWs) bands (ev): -16.9351 -16.9351 -16.9208 -16.9208 -16.8900 -16.8900 -15.2009 -15.2009 -15.1654 -15.1654 -15.1584 -15.1584 -13.4122 -13.4122 -6.8388 -6.8388 -6.8267 -6.8267 -6.6581 -6.6581 -3.5314 -3.5314 -3.2792 -3.2792 -3.1784 -3.1784 -2.2031 -2.2031 -1.8566 -1.8566 -1.8095 -1.8095 -1.7914 -1.7914 -1.1655 -1.1655 -1.0474 -1.0474 -0.7304 -0.7304 -0.5027 -0.5027 -0.4576 -0.4576 -0.1220 -0.1220 0.0553 0.0553 0.7162 0.7162 1.1709 1.1709 1.2969 1.2969 1.5341 1.5341 1.7124 1.7124 1.7396 1.7396 1.8266 1.8266 1.8912 1.8912 1.9415 1.9415 4.7661 4.7661 5.6228 5.6228 5.6473 5.6473 5.6618 5.6618 5.6955 5.6955 5.7201 5.7201 6.2174 6.2174 6.3436 6.3436 6.5646 6.5646 7.1010 7.1010 k = 0.3293 0.5000 0.3293 ( 13346 PWs) bands (ev): -16.9398 -16.9398 -16.9235 -16.9235 -16.8883 -16.8883 -15.2017 -15.2017 -15.1610 -15.1610 -15.1532 -15.1532 -13.4093 -13.4093 -6.8635 -6.8635 -6.8490 -6.8490 -6.6588 -6.6588 -3.5144 -3.5144 -3.2395 -3.2395 -3.1325 -3.1325 -2.1843 -2.1843 -1.8697 -1.8697 -1.8088 -1.8088 -1.7805 -1.7805 -1.1814 -1.1814 -1.0468 -1.0468 -0.7566 -0.7566 -0.5153 -0.5153 -0.4626 -0.4626 -0.1454 -0.1454 0.0400 0.0400 0.7081 0.7081 1.1434 1.1434 1.2821 1.2821 1.5708 1.5708 1.7288 1.7288 1.7553 1.7553 1.8512 1.8512 1.9075 1.9075 1.9633 1.9633 4.7421 4.7421 5.6069 5.6069 5.6319 5.6319 5.6534 5.6534 5.6846 5.6846 5.7139 5.7139 6.1790 6.1790 6.3105 6.3105 6.5604 6.5604 7.0894 7.0894 k = 0.3171 0.5000 0.3171 ( 13346 PWs) bands (ev): -16.9446 -16.9446 -16.9264 -16.9264 -16.8866 -16.8866 -15.2025 -15.2025 -15.1563 -15.1563 -15.1479 -15.1479 -13.4064 -13.4064 -6.8887 -6.8887 -6.8716 -6.8716 -6.6596 -6.6596 -3.4976 -3.4976 -3.1974 -3.1974 -3.0851 -3.0851 -2.1655 -2.1655 -1.8875 -1.8875 -1.8037 -1.8037 -1.7686 -1.7686 -1.1985 -1.1985 -1.0470 -1.0470 -0.7813 -0.7813 -0.5287 -0.5287 -0.4671 -0.4671 -0.1675 -0.1675 0.0249 0.0249 0.6996 0.6996 1.1153 1.1153 1.2668 1.2668 1.6066 1.6066 1.7449 1.7449 1.7706 1.7706 1.8758 1.8758 1.9238 1.9238 1.9853 1.9853 4.7165 4.7165 5.5902 5.5902 5.6152 5.6152 5.6458 5.6458 5.6734 5.6734 5.7079 5.7079 6.1410 6.1410 6.2760 6.2760 6.5550 6.5550 7.0773 7.0773 k = 0.3049 0.5000 0.3049 ( 13358 PWs) bands (ev): -16.9496 -16.9496 -16.9294 -16.9294 -16.8847 -16.8847 -15.2033 -15.2033 -15.1514 -15.1514 -15.1424 -15.1424 -13.4035 -13.4035 -6.9143 -6.9143 -6.8943 -6.8943 -6.6604 -6.6604 -3.4807 -3.4807 -3.1536 -3.1536 -3.0363 -3.0363 -2.1474 -2.1474 -1.9079 -1.9079 -1.7956 -1.7956 -1.7560 -1.7560 -1.2166 -1.2166 -1.0482 -1.0482 -0.8036 -0.8036 -0.5429 -0.5429 -0.4712 -0.4712 -0.1883 -0.1883 0.0100 0.0100 0.6909 0.6909 1.0869 1.0869 1.2512 1.2512 1.6416 1.6416 1.7607 1.7607 1.7857 1.7857 1.9001 1.9001 1.9397 1.9397 2.0074 2.0074 4.6895 4.6895 5.5725 5.5725 5.5976 5.5976 5.6393 5.6393 5.6621 5.6621 5.7021 5.7021 6.1039 6.1039 6.2402 6.2402 6.5483 6.5483 7.0651 7.0651 k = 0.2927 0.5000 0.2927 ( 13372 PWs) bands (ev): -16.9547 -16.9547 -16.9325 -16.9325 -16.8828 -16.8828 -15.2041 -15.2041 -15.1463 -15.1463 -15.1368 -15.1368 -13.4007 -13.4007 -6.9401 -6.9401 -6.9169 -6.9169 -6.6613 -6.6613 -3.4639 -3.4639 -3.1083 -3.1083 -2.9866 -2.9866 -2.1303 -2.1303 -1.9297 -1.9297 -1.7854 -1.7854 -1.7426 -1.7426 -1.2357 -1.2357 -1.0505 -1.0505 -0.8230 -0.8230 -0.5578 -0.5578 -0.4750 -0.4750 -0.2080 -0.2080 -0.0045 -0.0045 0.6820 0.6820 1.0582 1.0582 1.2351 1.2351 1.6757 1.6757 1.7759 1.7759 1.8003 1.8003 1.9239 1.9239 1.9548 1.9548 2.0295 2.0295 4.6610 4.6610 5.5538 5.5538 5.5792 5.5792 5.6337 5.6337 5.6508 5.6508 5.6966 5.6966 6.0680 6.0680 6.2033 6.2033 6.5400 6.5400 7.0530 7.0530 k = 0.2805 0.5000 0.2805 ( 13368 PWs) bands (ev): -16.9599 -16.9599 -16.9357 -16.9357 -16.8809 -16.8809 -15.2049 -15.2049 -15.1410 -15.1410 -15.1312 -15.1312 -13.3979 -13.3979 -6.9659 -6.9659 -6.9394 -6.9394 -6.6621 -6.6621 -3.4469 -3.4469 -3.0620 -3.0620 -2.9362 -2.9362 -2.1151 -2.1151 -1.9518 -1.9518 -1.7735 -1.7735 -1.7283 -1.7283 -1.2556 -1.2556 -1.0542 -1.0542 -0.8390 -0.8390 -0.5732 -0.5732 -0.4783 -0.4783 -0.2267 -0.2267 -0.0182 -0.0182 0.6729 0.6729 1.0293 1.0293 1.2186 1.2186 1.7089 1.7089 1.7906 1.7906 1.8147 1.8147 1.9471 1.9471 1.9688 1.9688 2.0515 2.0515 4.6312 4.6312 5.5343 5.5343 5.5602 5.5602 5.6292 5.6292 5.6396 5.6396 5.6912 5.6912 6.0335 6.0335 6.1658 6.1658 6.5302 6.5302 7.0412 7.0412 k = 0.2683 0.5000 0.2683 ( 13364 PWs) bands (ev): -16.9651 -16.9651 -16.9389 -16.9389 -16.8789 -16.8789 -15.2056 -15.2056 -15.1356 -15.1356 -15.1254 -15.1254 -13.3952 -13.3952 -6.9917 -6.9917 -6.9615 -6.9615 -6.6629 -6.6629 -3.4299 -3.4299 -3.0151 -3.0151 -2.8854 -2.8854 -2.1028 -2.1028 -1.9732 -1.9732 -1.7600 -1.7600 -1.7130 -1.7130 -1.2761 -1.2761 -1.0593 -1.0593 -0.8513 -0.8513 -0.5891 -0.5891 -0.4814 -0.4814 -0.2445 -0.2445 -0.0311 -0.0311 0.6637 0.6637 1.0003 1.0003 1.2017 1.2017 1.7411 1.7411 1.8044 1.8044 1.8289 1.8289 1.9691 1.9691 1.9819 1.9819 2.0734 2.0734 4.6003 4.6003 5.5139 5.5139 5.5408 5.5408 5.6249 5.6249 5.6296 5.6296 5.6860 5.6860 6.0006 6.0006 6.1278 6.1278 6.5187 6.5187 7.0299 7.0299 k = 0.2561 0.5000 0.2561 ( 13378 PWs) bands (ev): -16.9704 -16.9704 -16.9422 -16.9422 -16.8769 -16.8769 -15.2064 -15.2064 -15.1301 -15.1301 -15.1197 -15.1197 -13.3927 -13.3927 -7.0172 -7.0172 -6.9832 -6.9832 -6.6638 -6.6638 -3.4127 -3.4127 -2.9681 -2.9681 -2.8346 -2.8346 -2.0954 -2.0954 -1.9916 -1.9916 -1.7454 -1.7454 -1.6966 -1.6966 -1.2970 -1.2970 -1.0656 -1.0656 -0.8601 -0.8601 -0.6054 -0.6054 -0.4843 -0.4843 -0.2615 -0.2615 -0.0429 -0.0429 0.6544 0.6544 0.9713 0.9713 1.1845 1.1845 1.7722 1.7722 1.8172 1.8172 1.8430 1.8430 1.9868 1.9868 1.9968 1.9968 2.0952 2.0952 4.5684 4.5684 5.4926 5.4926 5.5211 5.5211 5.6160 5.6160 5.6255 5.6255 5.6809 5.6809 5.9697 5.9697 6.0896 6.0896 6.5056 6.5056 7.0194 7.0194 k = 0.2439 0.5000 0.2439 ( 13378 PWs) bands (ev): -16.9756 -16.9756 -16.9455 -16.9455 -16.8749 -16.8749 -15.2071 -15.2071 -15.1245 -15.1245 -15.1140 -15.1140 -13.3902 -13.3902 -7.0423 -7.0423 -7.0043 -7.0043 -6.6646 -6.6646 -3.3954 -3.3954 -2.9212 -2.9212 -2.7841 -2.7841 -2.0957 -2.0957 -2.0042 -2.0042 -1.7300 -1.7300 -1.6791 -1.6791 -1.3176 -1.3176 -1.0728 -1.0728 -0.8658 -0.8658 -0.6218 -0.6218 -0.4870 -0.4870 -0.2778 -0.2778 -0.0536 -0.0536 0.6450 0.6450 0.9425 0.9425 1.1670 1.1670 1.8017 1.8017 1.8288 1.8288 1.8572 1.8572 1.9973 1.9973 2.0162 2.0162 2.1168 2.1168 4.5358 4.5358 5.4706 5.4706 5.5015 5.5015 5.6053 5.6053 5.6247 5.6247 5.6758 5.6758 5.9407 5.9407 6.0517 6.0517 6.4910 6.4910 7.0098 7.0098 k = 0.2317 0.5000 0.2317 ( 13382 PWs) bands (ev): -16.9808 -16.9808 -16.9487 -16.9487 -16.8729 -16.8729 -15.2077 -15.2077 -15.1188 -15.1188 -15.1083 -15.1083 -13.3880 -13.3880 -7.0669 -7.0669 -7.0247 -7.0247 -6.6655 -6.6655 -3.3781 -3.3781 -2.8751 -2.8751 -2.7340 -2.7340 -2.1053 -2.1053 -2.0089 -2.0089 -1.7142 -1.7142 -1.6604 -1.6604 -1.3376 -1.3376 -1.0805 -1.0805 -0.8688 -0.8688 -0.6384 -0.6384 -0.4896 -0.4896 -0.2935 -0.2935 -0.0628 -0.0628 0.6355 0.6355 0.9140 0.9140 1.1492 1.1492 1.8289 1.8289 1.8395 1.8395 1.8720 1.8720 2.0043 2.0043 2.0363 2.0363 2.1383 2.1383 4.5026 4.5026 5.4478 5.4478 5.4819 5.4819 5.5947 5.5947 5.6254 5.6254 5.6708 5.6708 5.9139 5.9139 6.0143 6.0143 6.4750 6.4750 7.0011 7.0011 k = 0.2195 0.5000 0.2195 ( 13382 PWs) bands (ev): -16.9859 -16.9859 -16.9520 -16.9520 -16.8709 -16.8709 -15.2084 -15.2084 -15.1131 -15.1131 -15.1027 -15.1027 -13.3858 -13.3858 -7.0909 -7.0909 -7.0444 -7.0444 -6.6663 -6.6663 -3.3607 -3.3607 -2.8301 -2.8301 -2.6849 -2.6849 -2.1219 -2.1219 -2.0075 -2.0075 -1.6985 -1.6985 -1.6409 -1.6409 -1.3562 -1.3562 -1.0883 -1.0883 -0.8697 -0.8697 -0.6549 -0.6549 -0.4923 -0.4923 -0.3085 -0.3085 -0.0707 -0.0707 0.6259 0.6259 0.8859 0.8859 1.1311 1.1311 1.8456 1.8456 1.8558 1.8558 1.8884 1.8884 2.0094 2.0094 2.0557 2.0557 2.1595 2.1595 4.4690 4.4690 5.4243 5.4243 5.4626 5.4626 5.5844 5.5844 5.6272 5.6272 5.6657 5.6657 5.8893 5.8893 5.9778 5.9778 6.4577 6.4577 6.9933 6.9933 k = 0.2073 0.5000 0.2073 ( 13370 PWs) bands (ev): -16.9908 -16.9908 -16.9552 -16.9552 -16.8690 -16.8690 -15.2090 -15.2090 -15.1074 -15.1074 -15.0972 -15.0972 -13.3839 -13.3839 -7.1142 -7.1142 -7.0633 -7.0633 -6.6671 -6.6671 -3.3433 -3.3433 -2.7868 -2.7868 -2.6368 -2.6368 -2.1419 -2.1419 -2.0032 -2.0032 -1.6831 -1.6831 -1.6214 -1.6214 -1.3725 -1.3725 -1.0960 -1.0960 -0.8693 -0.8693 -0.6711 -0.6711 -0.4950 -0.4950 -0.3227 -0.3227 -0.0769 -0.0769 0.6163 0.6163 0.8586 0.8586 1.1129 1.1129 1.8524 1.8524 1.8756 1.8756 1.9076 1.9076 2.0130 2.0130 2.0742 2.0742 2.1804 2.1804 4.4353 4.4353 5.4002 5.4002 5.4437 5.4437 5.5743 5.5743 5.6299 5.6299 5.6604 5.6604 5.8671 5.8671 5.9426 5.9426 6.4394 6.4394 6.9866 6.9866 k = 0.1951 0.5000 0.1951 ( 13358 PWs) bands (ev): -16.9957 -16.9957 -16.9584 -16.9584 -16.8671 -16.8671 -15.2096 -15.2096 -15.1017 -15.1017 -15.0918 -15.0918 -13.3821 -13.3821 -7.1366 -7.1366 -7.0813 -7.0813 -6.6679 -6.6679 -3.3261 -3.3261 -2.7459 -2.7459 -2.5900 -2.5900 -2.1625 -2.1625 -1.9980 -1.9980 -1.6683 -1.6683 -1.6030 -1.6030 -1.3851 -1.3851 -1.1032 -1.1032 -0.8679 -0.8679 -0.6870 -0.6870 -0.4980 -0.4980 -0.3360 -0.3360 -0.0816 -0.0816 0.6066 0.6066 0.8320 0.8320 1.0945 1.0945 1.8562 1.8562 1.8917 1.8917 1.9295 1.9295 2.0156 2.0156 2.0917 2.0917 2.2009 2.2009 4.4019 4.4019 5.3756 5.3756 5.4253 5.4253 5.5647 5.5647 5.6334 5.6334 5.6550 5.6550 5.8472 5.8472 5.9089 5.9089 6.4203 6.4203 6.9807 6.9807 k = 0.1829 0.5000 0.1829 ( 13374 PWs) bands (ev): -17.0004 -17.0004 -16.9614 -16.9614 -16.8652 -16.8652 -15.2101 -15.2101 -15.0961 -15.0961 -15.0867 -15.0867 -13.3805 -13.3805 -7.1581 -7.1581 -7.0983 -7.0983 -6.6687 -6.6687 -3.3089 -3.3089 -2.7081 -2.7081 -2.5449 -2.5449 -2.1820 -2.1820 -1.9926 -1.9926 -1.6542 -1.6542 -1.5875 -1.5875 -1.3925 -1.3925 -1.1099 -1.1099 -0.8663 -0.8663 -0.7024 -0.7024 -0.5014 -0.5014 -0.3484 -0.3484 -0.0846 -0.0846 0.5967 0.5967 0.8065 0.8065 1.0761 1.0761 1.8571 1.8571 1.9051 1.9051 1.9524 1.9524 2.0177 2.0177 2.1081 2.1081 2.2210 2.2210 4.3688 4.3688 5.3507 5.3507 5.4076 5.4076 5.5555 5.5555 5.6372 5.6372 5.6495 5.6495 5.8296 5.8296 5.8772 5.8772 6.4007 6.4007 6.9757 6.9757 k = 0.1707 0.5000 0.1707 ( 13372 PWs) bands (ev): -17.0049 -17.0049 -16.9644 -16.9644 -16.8634 -16.8634 -15.2106 -15.2106 -15.0907 -15.0907 -15.0817 -15.0817 -13.3790 -13.3790 -7.1786 -7.1786 -7.1144 -7.1144 -6.6694 -6.6694 -3.2920 -3.2920 -2.6743 -2.6743 -2.5015 -2.5015 -2.1992 -2.1992 -1.9876 -1.9876 -1.6411 -1.6411 -1.5765 -1.5765 -1.3929 -1.3929 -1.1158 -1.1158 -0.8648 -0.8648 -0.7169 -0.7169 -0.5054 -0.5054 -0.3594 -0.3594 -0.0861 -0.0861 0.5867 0.5867 0.7823 0.7823 1.0578 1.0578 1.8550 1.8550 1.9168 1.9168 1.9750 1.9750 2.0199 2.0199 2.1234 2.1234 2.2405 2.2405 4.3365 4.3365 5.3257 5.3257 5.3907 5.3907 5.5468 5.5468 5.6395 5.6395 5.6453 5.6453 5.8143 5.8143 5.8481 5.8481 6.3808 6.3808 6.9715 6.9715 k = 0.1585 0.5000 0.1585 ( 13374 PWs) bands (ev): -17.0092 -17.0092 -16.9673 -16.9673 -16.8616 -16.8616 -15.2110 -15.2110 -15.0854 -15.0854 -15.0770 -15.0770 -13.3778 -13.3778 -7.1980 -7.1980 -7.1294 -7.1294 -6.6701 -6.6701 -3.2755 -3.2755 -2.6455 -2.6455 -2.4600 -2.4600 -2.2132 -2.2132 -1.9831 -1.9831 -1.6295 -1.6295 -1.5705 -1.5705 -1.3858 -1.3858 -1.1209 -1.1209 -0.8640 -0.8640 -0.7303 -0.7303 -0.5101 -0.5101 -0.3690 -0.3690 -0.0861 -0.0861 0.5765 0.5765 0.7595 0.7595 1.0398 1.0398 1.8499 1.8499 1.9274 1.9274 1.9966 1.9966 2.0226 2.0226 2.1375 2.1375 2.2593 2.2593 4.3051 4.3051 5.3008 5.3008 5.3748 5.3748 5.5385 5.5385 5.6353 5.6353 5.6469 5.6469 5.8009 5.8009 5.8221 5.8221 6.3609 6.3609 6.9680 6.9680 k = 0.1463 0.5000 0.1463 ( 13378 PWs) bands (ev): -17.0133 -17.0133 -16.9700 -16.9700 -16.8600 -16.8600 -15.2115 -15.2115 -15.0803 -15.0803 -15.0725 -15.0725 -13.3767 -13.3767 -7.2163 -7.2163 -7.1434 -7.1434 -6.6708 -6.6708 -3.2593 -3.2593 -2.6223 -2.6223 -2.4205 -2.4205 -2.2229 -2.2229 -1.9789 -1.9789 -1.6203 -1.6203 -1.5678 -1.5678 -1.3722 -1.3722 -1.1249 -1.1249 -0.8645 -0.8645 -0.7423 -0.7423 -0.5157 -0.5157 -0.3767 -0.3767 -0.0847 -0.0847 0.5660 0.5660 0.7385 0.7385 1.0220 1.0220 1.8420 1.8420 1.9371 1.9371 2.0163 2.0163 2.0264 2.0264 2.1505 2.1505 2.2773 2.2773 4.2749 4.2749 5.2761 5.2761 5.3597 5.3597 5.5308 5.5308 5.6288 5.6288 5.6495 5.6495 5.7883 5.7883 5.8010 5.8010 6.3413 6.3413 6.9651 6.9651 k = 0.1341 0.5000 0.1341 ( 13374 PWs) bands (ev): -17.0172 -17.0172 -16.9726 -16.9726 -16.8584 -16.8584 -15.2118 -15.2118 -15.0755 -15.0755 -15.0682 -15.0682 -13.3757 -13.3757 -7.2333 -7.2333 -7.1562 -7.1562 -6.6714 -6.6714 -3.2437 -3.2437 -2.6054 -2.6054 -2.3831 -2.3831 -2.2281 -2.2281 -1.9753 -1.9753 -1.6152 -1.6152 -1.5653 -1.5653 -1.3542 -1.3542 -1.1277 -1.1277 -0.8666 -0.8666 -0.7526 -0.7526 -0.5223 -0.5223 -0.3825 -0.3825 -0.0823 -0.0823 0.5552 0.5552 0.7194 0.7194 1.0048 1.0048 1.8316 1.8316 1.9459 1.9459 2.0272 2.0272 2.0381 2.0381 2.1624 2.1624 2.2945 2.2945 4.2462 4.2462 5.2520 5.2520 5.3457 5.3457 5.5235 5.5235 5.6219 5.6219 5.6506 5.6506 5.7745 5.7745 5.7873 5.7873 6.3222 6.3222 6.9627 6.9627 k = 0.1220 0.5000 0.1220 ( 13390 PWs) bands (ev): -17.0207 -17.0207 -16.9750 -16.9750 -16.8570 -16.8570 -15.2122 -15.2122 -15.0709 -15.0709 -15.0643 -15.0643 -13.3749 -13.3749 -7.2490 -7.2490 -7.1680 -7.1680 -6.6720 -6.6720 -3.2287 -3.2287 -2.5949 -2.5949 -2.3480 -2.3480 -2.2286 -2.2286 -1.9720 -1.9720 -1.6151 -1.6151 -1.5603 -1.5603 -1.3342 -1.3342 -1.1289 -1.1289 -0.8706 -0.8706 -0.7609 -0.7609 -0.5300 -0.5300 -0.3861 -0.3861 -0.0789 -0.0789 0.5441 0.5441 0.7024 0.7024 0.9883 0.9883 1.8192 1.8192 1.9540 1.9540 2.0317 2.0317 2.0551 2.0551 2.1732 2.1732 2.3106 2.3106 4.2192 4.2192 5.2288 5.2288 5.3329 5.3329 5.5168 5.5168 5.6149 5.6149 5.6491 5.6491 5.7617 5.7617 5.7791 5.7791 6.3039 6.3039 6.9608 6.9608 k = 0.1098 0.5000 0.1098 ( 13372 PWs) bands (ev): -17.0240 -17.0240 -16.9772 -16.9772 -16.8556 -16.8556 -15.2125 -15.2125 -15.0666 -15.0666 -15.0607 -15.0607 -13.3742 -13.3742 -7.2634 -7.2634 -7.1787 -7.1787 -6.6725 -6.6725 -3.2145 -3.2145 -2.5900 -2.5900 -2.3153 -2.3153 -2.2251 -2.2251 -1.9692 -1.9692 -1.6189 -1.6189 -1.5527 -1.5527 -1.3140 -1.3140 -1.1281 -1.1281 -0.8766 -0.8766 -0.7674 -0.7674 -0.5386 -0.5386 -0.3877 -0.3877 -0.0748 -0.0748 0.5329 0.5329 0.6875 0.6875 0.9726 0.9726 1.8055 1.8055 1.9613 1.9613 2.0359 2.0359 2.0710 2.0710 2.1828 2.1828 2.3257 2.3257 4.1942 4.1942 5.2066 5.2066 5.3211 5.3211 5.5107 5.5107 5.6080 5.6080 5.6446 5.6446 5.7532 5.7532 5.7735 5.7735 6.2866 6.2866 6.9593 6.9593 k = 0.0976 0.5000 0.0976 ( 13360 PWs) bands (ev): -17.0270 -17.0270 -16.9792 -16.9792 -16.8544 -16.8544 -15.2127 -15.2127 -15.0627 -15.0627 -15.0574 -15.0574 -13.3737 -13.3737 -7.2764 -7.2764 -7.1883 -7.1883 -6.6730 -6.6730 -3.2012 -3.2012 -2.5898 -2.5898 -2.2854 -2.2854 -2.2186 -2.2186 -1.9667 -1.9667 -1.6246 -1.6246 -1.5437 -1.5437 -1.2954 -1.2954 -1.1249 -1.1249 -0.8844 -0.8844 -0.7722 -0.7722 -0.5479 -0.5479 -0.3875 -0.3875 -0.0703 -0.0703 0.5216 0.5216 0.6748 0.6748 0.9580 0.9580 1.7910 1.7910 1.9678 1.9678 2.0399 2.0399 2.0854 2.0854 2.1914 2.1914 2.3395 2.3395 4.1712 4.1712 5.1859 5.1859 5.3105 5.3105 5.5052 5.5052 5.6014 5.6014 5.6375 5.6375 5.7490 5.7490 5.7694 5.7694 6.2704 6.2704 6.9580 6.9580 k = 0.0854 0.5000 0.0854 ( 13364 PWs) bands (ev): -17.0297 -17.0297 -16.9810 -16.9810 -16.8533 -16.8533 -15.2130 -15.2130 -15.0592 -15.0592 -15.0545 -15.0545 -13.3732 -13.3732 -7.2879 -7.2879 -7.1967 -7.1967 -6.6734 -6.6734 -3.1890 -3.1890 -2.5928 -2.5928 -2.2585 -2.2585 -2.2102 -2.2102 -1.9646 -1.9646 -1.6308 -1.6308 -1.5345 -1.5345 -1.2794 -1.2794 -1.1190 -1.1190 -0.8935 -0.8935 -0.7756 -0.7756 -0.5575 -0.5575 -0.3858 -0.3858 -0.0656 -0.0656 0.5106 0.5106 0.6642 0.6642 0.9446 0.9446 1.7764 1.7764 1.9736 1.9736 2.0438 2.0438 2.0982 2.0982 2.1989 2.1989 2.3520 2.3520 4.1505 4.1505 5.1668 5.1668 5.3012 5.3012 5.5002 5.5002 5.5952 5.5952 5.6288 5.6288 5.7481 5.7481 5.7665 5.7665 6.2557 6.2557 6.9570 6.9570 k = 0.0732 0.5000 0.0732 ( 13370 PWs) bands (ev): -17.0320 -17.0320 -16.9826 -16.9826 -16.8523 -16.8523 -15.2132 -15.2132 -15.0561 -15.0561 -15.0519 -15.0519 -13.3729 -13.3729 -7.2980 -7.2980 -7.2040 -7.2040 -6.6738 -6.6738 -3.1780 -3.1780 -2.5978 -2.5978 -2.2352 -2.2352 -2.2005 -2.2005 -1.9628 -1.9628 -1.6366 -1.6366 -1.5255 -1.5255 -1.2669 -1.2669 -1.1101 -1.1101 -0.9036 -0.9036 -0.7781 -0.7781 -0.5672 -0.5672 -0.3829 -0.3829 -0.0610 -0.0610 0.5002 0.5002 0.6555 0.6555 0.9326 0.9326 1.7624 1.7624 1.9786 1.9786 2.0475 2.0475 2.1092 2.1092 2.2054 2.2054 2.3631 2.3631 4.1323 4.1323 5.1497 5.1497 5.2930 5.2930 5.4959 5.4959 5.5895 5.5895 5.6198 5.6198 5.7492 5.7492 5.7645 5.7645 6.2426 6.2426 6.9563 6.9563 k = 0.0610 0.5000 0.0610 ( 13378 PWs) bands (ev): -17.0340 -17.0340 -16.9840 -16.9840 -16.8515 -16.8515 -15.2133 -15.2133 -15.0534 -15.0534 -15.0497 -15.0497 -13.3726 -13.3726 -7.3066 -7.3066 -7.2102 -7.2102 -6.6741 -6.6741 -3.1683 -3.1683 -2.6036 -2.6036 -2.2164 -2.2164 -2.1899 -2.1899 -1.9614 -1.9614 -1.6418 -1.6418 -1.5173 -1.5173 -1.2579 -1.2579 -1.0988 -1.0988 -0.9141 -0.9141 -0.7798 -0.7798 -0.5764 -0.5764 -0.3794 -0.3794 -0.0568 -0.0568 0.4907 0.4907 0.6486 0.6486 0.9222 0.9222 1.7494 1.7494 1.9828 1.9828 2.0507 2.0507 2.1185 2.1185 2.2109 2.2109 2.3726 2.3726 4.1167 4.1167 5.1348 5.1348 5.2861 5.2861 5.4921 5.4921 5.5845 5.5845 5.6112 5.6112 5.7513 5.7513 5.7631 5.7631 6.2312 6.2312 6.9557 6.9557 k = 0.0488 0.5000 0.0488 ( 13390 PWs) bands (ev): -17.0356 -17.0356 -16.9852 -16.9852 -16.8508 -16.8508 -15.2135 -15.2135 -15.0511 -15.0511 -15.0479 -15.0479 -13.3724 -13.3724 -7.3137 -7.3137 -7.2153 -7.2153 -6.6744 -6.6744 -3.1601 -3.1601 -2.6095 -2.6095 -2.2026 -2.2026 -2.1786 -2.1786 -1.9602 -1.9602 -1.6460 -1.6460 -1.5101 -1.5101 -1.2519 -1.2519 -1.0860 -1.0860 -0.9246 -0.9246 -0.7810 -0.7810 -0.5847 -0.5847 -0.3758 -0.3758 -0.0531 -0.0531 0.4824 0.4824 0.6431 0.6431 0.9135 0.9135 1.7379 1.7379 1.9862 1.9862 2.0534 2.0534 2.1261 2.1261 2.2153 2.2153 2.3806 2.3806 4.1037 4.1037 5.1223 5.1223 5.2804 5.2804 5.4891 5.4891 5.5802 5.5802 5.6037 5.6037 5.7537 5.7537 5.7622 5.7622 6.2216 6.2216 6.9553 6.9553 k = 0.0366 0.5000 0.0366 ( 13390 PWs) bands (ev): -17.0369 -17.0369 -16.9860 -16.9860 -16.8502 -16.8502 -15.2136 -15.2136 -15.0494 -15.0494 -15.0465 -15.0465 -13.3722 -13.3722 -7.3192 -7.3192 -7.2192 -7.2192 -6.6746 -6.6746 -3.1536 -3.1536 -2.6147 -2.6147 -2.1935 -2.1935 -2.1677 -2.1677 -1.9594 -1.9594 -1.6493 -1.6493 -1.5043 -1.5043 -1.2482 -1.2482 -1.0732 -1.0732 -0.9347 -0.9347 -0.7818 -0.7818 -0.5917 -0.5917 -0.3724 -0.3724 -0.0500 -0.0500 0.4756 0.4756 0.6391 0.6391 0.9066 0.9066 1.7285 1.7285 1.9889 1.9889 2.0556 2.0556 2.1321 2.1321 2.2188 2.2188 2.3868 2.3868 4.0936 4.0936 5.1124 5.1124 5.2760 5.2760 5.4867 5.4867 5.5767 5.5767 5.5978 5.5978 5.7560 5.7560 5.7616 5.7616 6.2141 6.2141 6.9550 6.9550 k = 0.0244 0.5000 0.0244 ( 13390 PWs) bands (ev): -17.0379 -17.0379 -16.9867 -16.9867 -16.8499 -16.8499 -15.2137 -15.2137 -15.0481 -15.0481 -15.0455 -15.0455 -13.3721 -13.3721 -7.3232 -7.3232 -7.2220 -7.2220 -6.6747 -6.6747 -3.1488 -3.1488 -2.6187 -2.6187 -2.1877 -2.1877 -2.1590 -2.1590 -1.9588 -1.9588 -1.6516 -1.6516 -1.4999 -1.4999 -1.2460 -1.2460 -1.0618 -1.0618 -0.9434 -0.9434 -0.7824 -0.7824 -0.5971 -0.5971 -0.3697 -0.3697 -0.0478 -0.0478 0.4705 0.4705 0.6363 0.6363 0.9017 0.9017 1.7215 1.7215 1.9908 1.9908 2.0572 2.0572 2.1363 2.1363 2.2213 2.2213 2.3913 2.3913 4.0863 4.0863 5.1052 5.1052 5.2729 5.2729 5.4849 5.4849 5.5742 5.5742 5.5934 5.5934 5.7579 5.7579 5.7612 5.7612 6.2086 6.2086 6.9547 6.9547 k = 0.0122 0.5000 0.0122 ( 13366 PWs) bands (ev): -17.0384 -17.0384 -16.9871 -16.9871 -16.8496 -16.8496 -15.2137 -15.2137 -15.0473 -15.0473 -15.0449 -15.0449 -13.3721 -13.3721 -7.3255 -7.3255 -7.2237 -7.2237 -6.6748 -6.6748 -3.1459 -3.1459 -2.6213 -2.6213 -2.1844 -2.1844 -2.1534 -2.1534 -1.9585 -1.9585 -1.6529 -1.6529 -1.4972 -1.4972 -1.2450 -1.2450 -1.0537 -1.0537 -0.9497 -0.9497 -0.7827 -0.7827 -0.6004 -0.6004 -0.3679 -0.3679 -0.0464 -0.0464 0.4674 0.4674 0.6347 0.6347 0.8987 0.8987 1.7172 1.7172 1.9920 1.9920 2.0582 2.0582 2.1388 2.1388 2.2228 2.2228 2.3940 2.3940 4.0819 4.0819 5.1009 5.1009 5.2710 5.2710 5.4839 5.4839 5.5726 5.5726 5.5908 5.5908 5.7593 5.7593 5.7608 5.7608 6.2053 6.2053 6.9546 6.9546 k = 0.0000 0.5000-0.0000 ( 13350 PWs) bands (ev): -17.0386 -17.0386 -16.9872 -16.9872 -16.8495 -16.8495 -15.2137 -15.2137 -15.0471 -15.0471 -15.0447 -15.0447 -13.3720 -13.3720 -7.3263 -7.3263 -7.2243 -7.2243 -6.6748 -6.6748 -3.1449 -3.1449 -2.6222 -2.6222 -2.1833 -2.1833 -2.1515 -2.1515 -1.9584 -1.9584 -1.6534 -1.6534 -1.4963 -1.4963 -1.2447 -1.2447 -1.0508 -1.0508 -0.9520 -0.9520 -0.7828 -0.7828 -0.6016 -0.6016 -0.3673 -0.3673 -0.0459 -0.0459 0.4664 0.4664 0.6342 0.6342 0.8977 0.8977 1.7158 1.7158 1.9924 1.9924 2.0585 2.0585 2.1396 2.1396 2.2233 2.2233 2.3950 2.3950 4.0804 4.0804 5.0994 5.0994 5.2704 5.2704 5.4835 5.4835 5.5721 5.5721 5.5900 5.5900 5.7600 5.7600 5.7604 5.7604 6.2042 6.2042 6.9546 6.9546 k = 0.5000 0.5000-0.0000 ( 13448 PWs) bands (ev): -16.9724 -16.9724 -16.9094 -16.9094 -16.9084 -16.9084 -15.2285 -15.2285 -15.1845 -15.1845 -15.0455 -15.0455 -13.3807 -13.3807 -7.3190 -7.3190 -6.6780 -6.6780 -6.6577 -6.6577 -3.4823 -3.4823 -3.2057 -3.2057 -2.2631 -2.2631 -2.1479 -2.1479 -2.1315 -2.1315 -1.8679 -1.8679 -1.3811 -1.3811 -1.3085 -1.3085 -1.0395 -1.0395 -0.9227 -0.9227 -0.7805 -0.7805 -0.6290 -0.6290 -0.2730 -0.2730 -0.0328 -0.0328 0.6633 0.6633 0.7094 0.7094 1.3759 1.3759 1.5755 1.5755 1.6752 1.6752 1.9938 1.9938 2.0159 2.0159 2.1123 2.1123 2.4388 2.4388 4.6112 4.6112 5.3444 5.3444 5.3919 5.3919 5.5384 5.5384 5.5957 5.5957 5.6395 5.6395 5.9430 5.9430 6.2743 6.2743 6.5201 6.5201 7.1604 7.1604 k = 0.5000 0.5000 0.0172 ( 13440 PWs) bands (ev): -16.9722 -16.9722 -16.9094 -16.9094 -16.9084 -16.9084 -15.2284 -15.2284 -15.1845 -15.1845 -15.0459 -15.0459 -13.3809 -13.3809 -7.3173 -7.3173 -6.6780 -6.6780 -6.6577 -6.6577 -3.4828 -3.4828 -3.2073 -3.2073 -2.2665 -2.2665 -2.1477 -2.1477 -2.1315 -2.1315 -1.8679 -1.8679 -1.3788 -1.3788 -1.3111 -1.3111 -1.0435 -1.0435 -0.9204 -0.9204 -0.7764 -0.7764 -0.6285 -0.6285 -0.2724 -0.2724 -0.0325 -0.0325 0.6636 0.6636 0.7115 0.7115 1.3760 1.3760 1.5752 1.5752 1.6749 1.6749 1.9929 1.9929 2.0151 2.0151 2.1110 2.1110 2.4367 2.4367 4.6120 4.6120 5.3466 5.3466 5.3930 5.3930 5.5392 5.5392 5.5963 5.5963 5.6397 5.6397 5.9437 5.9437 6.2748 6.2748 6.5203 6.5203 7.1604 7.1604 k = 0.5000 0.5000 0.0345 ( 13416 PWs) bands (ev): -16.9716 -16.9716 -16.9093 -16.9093 -16.9083 -16.9083 -15.2281 -15.2281 -15.1846 -15.1846 -15.0472 -15.0472 -13.3813 -13.3813 -7.3125 -7.3125 -6.6777 -6.6777 -6.6576 -6.6576 -3.4841 -3.4841 -3.2120 -3.2120 -2.2772 -2.2772 -2.1470 -2.1470 -2.1307 -2.1307 -1.8679 -1.8679 -1.3723 -1.3723 -1.3186 -1.3186 -1.0537 -1.0537 -0.9145 -0.9145 -0.7645 -0.7645 -0.6267 -0.6267 -0.2705 -0.2705 -0.0315 -0.0315 0.6645 0.6645 0.7176 0.7176 1.3763 1.3763 1.5742 1.5742 1.6741 1.6741 1.9903 1.9903 2.0125 2.0125 2.1071 2.1071 2.4306 2.4306 4.6146 4.6146 5.3530 5.3530 5.3962 5.3962 5.5414 5.5414 5.5980 5.5980 5.6403 5.6403 5.9460 5.9460 6.2763 6.2763 6.5209 6.5209 7.1603 7.1603 k = 0.5000 0.5000 0.0517 ( 13420 PWs) bands (ev): -16.9707 -16.9707 -16.9092 -16.9092 -16.9082 -16.9082 -15.2276 -15.2276 -15.1847 -15.1847 -15.0493 -15.0493 -13.3821 -13.3821 -7.3045 -7.3045 -6.6774 -6.6774 -6.6576 -6.6576 -3.4862 -3.4862 -3.2197 -3.2197 -2.2966 -2.2966 -2.1463 -2.1463 -2.1270 -2.1270 -1.8679 -1.8679 -1.3646 -1.3646 -1.3289 -1.3289 -1.0664 -1.0664 -0.9070 -0.9070 -0.7466 -0.7466 -0.6238 -0.6238 -0.2675 -0.2675 -0.0299 -0.0299 0.6660 0.6660 0.7277 0.7277 1.3767 1.3767 1.5725 1.5725 1.6728 1.6728 1.9859 1.9859 2.0084 2.0084 2.1007 2.1007 2.4203 2.4203 4.6189 4.6189 5.3636 5.3636 5.4015 5.4015 5.5450 5.5450 5.6008 5.6008 5.6412 5.6412 5.9498 5.9498 6.2788 6.2788 6.5219 6.5219 7.1602 7.1602 k = 0.5000 0.5000 0.0690 ( 13428 PWs) bands (ev): -16.9693 -16.9693 -16.9091 -16.9091 -16.9081 -16.9081 -15.2269 -15.2269 -15.1849 -15.1849 -15.0523 -15.0523 -13.3832 -13.3832 -7.2934 -7.2934 -6.6769 -6.6769 -6.6575 -6.6575 -3.4891 -3.4891 -3.2299 -3.2299 -2.3251 -2.3251 -2.1468 -2.1468 -2.1182 -2.1182 -1.8679 -1.8679 -1.3675 -1.3675 -1.3308 -1.3308 -1.0785 -1.0785 -0.8987 -0.8987 -0.7247 -0.7247 -0.6197 -0.6197 -0.2632 -0.2632 -0.0275 -0.0275 0.6680 0.6680 0.7417 0.7417 1.3773 1.3773 1.5701 1.5701 1.6709 1.6709 1.9797 1.9797 2.0027 2.0027 2.0918 2.0918 2.4062 2.4062 4.6249 4.6249 5.3780 5.3780 5.4089 5.4089 5.5500 5.5500 5.6047 5.6047 5.6425 5.6425 5.9552 5.9552 6.2824 6.2824 6.5233 6.5233 7.1601 7.1601 k = 0.5000 0.5000 0.0862 ( 13412 PWs) bands (ev): -16.9676 -16.9676 -16.9089 -16.9089 -16.9079 -16.9079 -15.2261 -15.2261 -15.1852 -15.1852 -15.0560 -15.0560 -13.3845 -13.3845 -7.2793 -7.2793 -6.6763 -6.6763 -6.6573 -6.6573 -3.4929 -3.4929 -3.2425 -3.2425 -2.3620 -2.3620 -2.1487 -2.1487 -2.1042 -2.1042 -1.8679 -1.8679 -1.3878 -1.3878 -1.3177 -1.3177 -1.0886 -1.0886 -0.8899 -0.8899 -0.7008 -0.7008 -0.6145 -0.6145 -0.2577 -0.2577 -0.0243 -0.0243 0.6706 0.6706 0.7592 0.7592 1.3781 1.3781 1.5670 1.5670 1.6686 1.6686 1.9718 1.9718 1.9955 1.9955 2.0805 2.0805 2.3882 2.3882 4.6325 4.6325 5.3959 5.3959 5.4182 5.4182 5.5563 5.5563 5.6096 5.6096 5.6443 5.6443 5.9625 5.9625 6.2870 6.2870 6.5250 6.5250 7.1599 7.1599 k = 0.5000 0.5000 0.1034 ( 13388 PWs) bands (ev): -16.9656 -16.9656 -16.9087 -16.9087 -16.9077 -16.9077 -15.2251 -15.2251 -15.1855 -15.1855 -15.0605 -15.0605 -13.3862 -13.3862 -7.2622 -7.2622 -6.6755 -6.6755 -6.6572 -6.6572 -3.4975 -3.4975 -3.2569 -3.2569 -2.4062 -2.4062 -2.1515 -2.1515 -2.0861 -2.0861 -1.8678 -1.8678 -1.4159 -1.4159 -1.2993 -1.2993 -1.0961 -1.0961 -0.8801 -0.8801 -0.6763 -0.6763 -0.6081 -0.6081 -0.2510 -0.2510 -0.0202 -0.0202 0.6738 0.6738 0.7801 0.7801 1.3791 1.3791 1.5631 1.5631 1.6657 1.6657 1.9623 1.9623 1.9870 1.9870 2.0668 2.0668 2.3666 2.3666 4.6416 4.6416 5.4168 5.4168 5.4293 5.4293 5.5639 5.5639 5.6156 5.6156 5.6464 5.6464 5.9718 5.9718 6.2927 6.2927 6.5269 6.5269 7.1597 7.1597 k = 0.5000 0.5000 0.1207 ( 13388 PWs) bands (ev): -16.9633 -16.9633 -16.9085 -16.9085 -16.9074 -16.9074 -15.2240 -15.2240 -15.1859 -15.1859 -15.0656 -15.0656 -13.3880 -13.3880 -7.2423 -7.2423 -6.6747 -6.6747 -6.6570 -6.6570 -3.5028 -3.5028 -3.2728 -3.2728 -2.4565 -2.4565 -2.1552 -2.1552 -2.0649 -2.0649 -1.8678 -1.8678 -1.4479 -1.4479 -1.2791 -1.2791 -1.1011 -1.1011 -0.8692 -0.8692 -0.6522 -0.6522 -0.6006 -0.6006 -0.2431 -0.2431 -0.0150 -0.0150 0.6774 0.6774 0.8041 0.8041 1.3803 1.3803 1.5584 1.5584 1.6624 1.6624 1.9512 1.9512 1.9773 1.9773 2.0510 2.0510 2.3416 2.3416 4.6521 4.6521 5.4396 5.4396 5.4425 5.4425 5.5725 5.5725 5.6225 5.6225 5.6489 5.6489 5.9832 5.9832 6.2994 6.2994 6.5292 6.5292 7.1595 7.1595 k = 0.5000 0.5000 0.1379 ( 13400 PWs) bands (ev): -16.9606 -16.9606 -16.9082 -16.9082 -16.9072 -16.9072 -15.2226 -15.2226 -15.1863 -15.1863 -15.0714 -15.0714 -13.3902 -13.3902 -7.2196 -7.2196 -6.6737 -6.6737 -6.6568 -6.6568 -3.5089 -3.5089 -3.2897 -3.2897 -2.5117 -2.5117 -2.1597 -2.1597 -2.0413 -2.0413 -1.8677 -1.8677 -1.4822 -1.4822 -1.2583 -1.2583 -1.1040 -1.1040 -0.8570 -0.8570 -0.6294 -0.6294 -0.5918 -0.5918 -0.2341 -0.2341 -0.0089 -0.0089 0.6814 0.6814 0.8307 0.8307 1.3816 1.3816 1.5527 1.5527 1.6587 1.6587 1.9386 1.9386 1.9666 1.9666 2.0330 2.0330 2.3135 2.3135 4.6640 4.6640 5.4558 5.4558 5.4655 5.4655 5.5821 5.5821 5.6302 5.6302 5.6518 5.6518 5.9972 5.9972 6.3073 6.3073 6.5316 6.5316 7.1592 7.1592 k = 0.5000 0.5000 0.1552 ( 13400 PWs) bands (ev): -16.9577 -16.9577 -16.9079 -16.9079 -16.9068 -16.9068 -15.2212 -15.2212 -15.1867 -15.1867 -15.0778 -15.0778 -13.3925 -13.3925 -7.1945 -7.1945 -6.6726 -6.6726 -6.6566 -6.6566 -3.5157 -3.5157 -3.3072 -3.3072 -2.5707 -2.5707 -2.1650 -2.1650 -2.0162 -2.0162 -1.8675 -1.8675 -1.5175 -1.5175 -1.2378 -1.2378 -1.1051 -1.1051 -0.8431 -0.8431 -0.6084 -0.6084 -0.5816 -0.5816 -0.2238 -0.2238 -0.0016 -0.0016 0.6859 0.6859 0.8597 0.8597 1.3831 1.3831 1.5461 1.5461 1.6546 1.6546 1.9245 1.9245 1.9551 1.9551 2.0132 2.0132 2.2825 2.2825 4.6770 4.6770 5.4712 5.4712 5.4916 5.4916 5.5926 5.5926 5.6388 5.6388 5.6552 5.6552 6.0139 6.0139 6.3162 6.3162 6.5342 6.5342 7.1590 7.1590 k = 0.5000 0.5000 0.1724 ( 13400 PWs) bands (ev): -16.9545 -16.9545 -16.9076 -16.9076 -16.9065 -16.9065 -15.2197 -15.2197 -15.1872 -15.1872 -15.0847 -15.0847 -13.3950 -13.3950 -7.1671 -7.1671 -6.6715 -6.6715 -6.6564 -6.6564 -3.5232 -3.5232 -3.3250 -3.3250 -2.6329 -2.6329 -2.1712 -2.1712 -1.9902 -1.9902 -1.8674 -1.8674 -1.5528 -1.5528 -1.2179 -1.2179 -1.1049 -1.1049 -0.8275 -0.8275 -0.5899 -0.5899 -0.5695 -0.5695 -0.2124 -0.2124 0.0067 0.0067 0.6908 0.6908 0.8907 0.8907 1.3847 1.3847 1.5383 1.5383 1.6502 1.6502 1.9091 1.9091 1.9429 1.9429 1.9916 1.9916 2.2491 2.2491 4.6911 4.6911 5.4877 5.4877 5.5181 5.5181 5.6038 5.6038 5.6480 5.6480 5.6589 5.6589 6.0336 6.0336 6.3262 6.3262 6.5369 6.5369 7.1587 7.1587 k = 0.5000 0.5000 0.1897 ( 13384 PWs) bands (ev): -16.9512 -16.9512 -16.9072 -16.9072 -16.9061 -16.9061 -15.2180 -15.2180 -15.1877 -15.1877 -15.0919 -15.0919 -13.3976 -13.3976 -7.1375 -7.1375 -6.6702 -6.6702 -6.6561 -6.6561 -3.5313 -3.5313 -3.3428 -3.3428 -2.6972 -2.6972 -2.1784 -2.1784 -1.9639 -1.9639 -1.8672 -1.8672 -1.5875 -1.5875 -1.1992 -1.1992 -1.1036 -1.1036 -0.8103 -0.8103 -0.5742 -0.5742 -0.5556 -0.5556 -0.1998 -0.1998 0.0160 0.0160 0.6960 0.6960 0.9233 0.9233 1.3865 1.3865 1.5292 1.5292 1.6454 1.6454 1.8924 1.8924 1.9301 1.9301 1.9685 1.9685 2.2136 2.2136 4.7061 4.7061 5.5050 5.5050 5.5442 5.5442 5.6156 5.6156 5.6578 5.6578 5.6631 5.6631 6.0565 6.0565 6.3373 6.3373 6.5396 6.5396 7.1585 7.1585 k = 0.5000 0.5000 0.2069 ( 13384 PWs) bands (ev): -16.9476 -16.9476 -16.9069 -16.9069 -16.9058 -16.9058 -15.2163 -15.2163 -15.1882 -15.1882 -15.0996 -15.0996 -13.4004 -13.4004 -7.1061 -7.1061 -6.6690 -6.6690 -6.6559 -6.6559 -3.5401 -3.5401 -3.3602 -3.3602 -2.7632 -2.7632 -2.1865 -2.1865 -1.9378 -1.9378 -1.8669 -1.8669 -1.6210 -1.6210 -1.1817 -1.1817 -1.1015 -1.1015 -0.7914 -0.7914 -0.5603 -0.5603 -0.5407 -0.5407 -0.1859 -0.1859 0.0262 0.0262 0.7014 0.7014 0.9572 0.9572 1.3885 1.3885 1.5187 1.5187 1.6404 1.6404 1.8746 1.8746 1.9169 1.9169 1.9441 1.9441 2.1764 2.1764 4.7219 4.7219 5.5229 5.5229 5.5693 5.5693 5.6278 5.6278 5.6676 5.6676 5.6680 5.6680 6.0827 6.0827 6.3495 6.3495 6.5424 6.5424 7.1582 7.1582 k = 0.5000 0.5000 0.2241 ( 13372 PWs) bands (ev): -16.9440 -16.9440 -16.9065 -16.9065 -16.9054 -16.9054 -15.2145 -15.2145 -15.1887 -15.1887 -15.1074 -15.1074 -13.4032 -13.4032 -7.0731 -7.0731 -6.6676 -6.6676 -6.6556 -6.6556 -3.5495 -3.5495 -3.3770 -3.3770 -2.8300 -2.8300 -2.1956 -2.1956 -1.9123 -1.9123 -1.8666 -1.8666 -1.6528 -1.6528 -1.1657 -1.1657 -1.0989 -1.0989 -0.7709 -0.7709 -0.5473 -0.5473 -0.5258 -0.5258 -0.1705 -0.1705 0.0373 0.0373 0.7071 0.7071 0.9919 0.9919 1.3906 1.3906 1.5066 1.5066 1.6352 1.6352 1.8558 1.8558 1.9034 1.9034 1.9188 1.9188 2.1382 2.1382 4.7381 4.7381 5.5412 5.5412 5.5927 5.5927 5.6403 5.6403 5.6725 5.6725 5.6785 5.6785 6.1122 6.1122 6.3627 6.3627 6.5452 6.5452 7.1580 7.1580 k = 0.5000 0.5000 0.2414 ( 13380 PWs) bands (ev): -16.9402 -16.9402 -16.9061 -16.9061 -16.9050 -16.9050 -15.2127 -15.2127 -15.1893 -15.1893 -15.1154 -15.1154 -13.4062 -13.4062 -7.0388 -7.0388 -6.6663 -6.6663 -6.6553 -6.6553 -3.5594 -3.5594 -3.3930 -3.3930 -2.8970 -2.8970 -2.2057 -2.2057 -1.8882 -1.8882 -1.8658 -1.8658 -1.6824 -1.6824 -1.1511 -1.1511 -1.0958 -1.0958 -0.7493 -0.7493 -0.5346 -0.5346 -0.5116 -0.5116 -0.1537 -0.1537 0.0489 0.0489 0.7129 0.7129 1.0271 1.0271 1.3928 1.3928 1.4926 1.4926 1.6299 1.6299 1.8361 1.8361 1.8887 1.8887 1.8939 1.8939 2.0994 2.0994 4.7547 4.7547 5.5597 5.5597 5.6142 5.6142 5.6530 5.6530 5.6778 5.6778 5.6891 5.6891 6.1446 6.1446 6.3769 6.3769 6.5479 6.5479 7.1578 7.1578 k = 0.5000 0.5000 0.2586 ( 13388 PWs) bands (ev): -16.9364 -16.9364 -16.9058 -16.9058 -16.9046 -16.9046 -15.2109 -15.2109 -15.1898 -15.1898 -15.1235 -15.1235 -13.4091 -13.4091 -7.0035 -7.0035 -6.6649 -6.6649 -6.6550 -6.6550 -3.5697 -3.5697 -3.4082 -3.4082 -2.9636 -2.9636 -2.2167 -2.2167 -1.8705 -1.8705 -1.8598 -1.8598 -1.7098 -1.7098 -1.1380 -1.1380 -1.0925 -1.0925 -0.7267 -0.7267 -0.5219 -0.5219 -0.4982 -0.4982 -0.1352 -0.1352 0.0610 0.0610 0.7189 0.7189 1.0624 1.0624 1.3952 1.3952 1.4764 1.4764 1.6244 1.6244 1.8156 1.8156 1.8648 1.8648 1.8779 1.8779 2.0607 2.0607 4.7715 4.7715 5.5781 5.5781 5.6335 5.6335 5.6655 5.6655 5.6836 5.6836 5.6997 5.6997 6.1797 6.1797 6.3919 6.3919 6.5506 6.5506 7.1577 7.1577 k = 0.5000 0.5000 0.2759 ( 13396 PWs) bands (ev): -16.9326 -16.9326 -16.9054 -16.9054 -16.9042 -16.9042 -15.2091 -15.2091 -15.1904 -15.1904 -15.1315 -15.1315 -13.4120 -13.4120 -6.9676 -6.9676 -6.6636 -6.6636 -6.6548 -6.6548 -3.5806 -3.5806 -3.4222 -3.4222 -3.0292 -3.0292 -2.2285 -2.2285 -1.8676 -1.8676 -1.8404 -1.8404 -1.7347 -1.7347 -1.1263 -1.1263 -1.0890 -1.0890 -0.7036 -0.7036 -0.5093 -0.5093 -0.4856 -0.4856 -0.1150 -0.1150 0.0734 0.0734 0.7248 0.7248 1.0977 1.0977 1.3976 1.3976 1.4579 1.4579 1.6189 1.6189 1.7943 1.7943 1.8381 1.8381 1.8648 1.8648 2.0227 2.0227 4.7881 4.7881 5.5963 5.5963 5.6506 5.6506 5.6773 5.6773 5.6902 5.6902 5.7102 5.7102 6.2167 6.2167 6.4077 6.4077 6.5531 6.5531 7.1576 7.1576 k = 0.5000 0.5000 0.2931 ( 13396 PWs) bands (ev): -16.9288 -16.9288 -16.9050 -16.9050 -16.9038 -16.9038 -15.2073 -15.2073 -15.1909 -15.1909 -15.1394 -15.1394 -13.4149 -13.4149 -6.9316 -6.9316 -6.6622 -6.6622 -6.6545 -6.6545 -3.5917 -3.5917 -3.4352 -3.4352 -3.0930 -3.0930 -2.2409 -2.2409 -1.8670 -1.8670 -1.8203 -1.8203 -1.7570 -1.7570 -1.1159 -1.1159 -1.0855 -1.0855 -0.6805 -0.6805 -0.4970 -0.4970 -0.4739 -0.4739 -0.0928 -0.0928 0.0859 0.0859 0.7308 0.7308 1.1326 1.1326 1.4002 1.4002 1.4369 1.4369 1.6134 1.6134 1.7723 1.7723 1.8115 1.8115 1.8524 1.8524 1.9862 1.9862 4.8046 4.8046 5.6141 5.6141 5.6655 5.6655 5.6873 5.6873 5.6984 5.6984 5.7203 5.7203 6.2550 6.2550 6.4240 6.4240 6.5556 6.5556 7.1575 7.1575 k = 0.5000 0.5000 0.3103 ( 13400 PWs) bands (ev): -16.9251 -16.9251 -16.9047 -16.9047 -16.9034 -16.9034 -15.2055 -15.2055 -15.1915 -15.1915 -15.1471 -15.1471 -13.4177 -13.4177 -6.8957 -6.8957 -6.6609 -6.6609 -6.6542 -6.6542 -3.6032 -3.6032 -3.4471 -3.4471 -3.1545 -3.1545 -2.2538 -2.2538 -1.8667 -1.8667 -1.8017 -1.8017 -1.7769 -1.7769 -1.1067 -1.1067 -1.0821 -1.0821 -0.6578 -0.6578 -0.4849 -0.4849 -0.4630 -0.4630 -0.0687 -0.0687 0.0983 0.0983 0.7367 0.7367 1.1669 1.1669 1.4028 1.4028 1.4133 1.4133 1.6081 1.6081 1.7497 1.7497 1.7853 1.7853 1.8405 1.8405 1.9516 1.9516 4.8205 4.8205 5.6312 5.6312 5.6785 5.6785 5.6951 5.6951 5.7087 5.7087 5.7300 5.7300 6.2938 6.2938 6.4408 6.4408 6.5580 6.5580 7.1575 7.1575 k = 0.5000 0.5000 0.3276 ( 13384 PWs) bands (ev): -16.9216 -16.9216 -16.9043 -16.9043 -16.9031 -16.9031 -15.2039 -15.2039 -15.1920 -15.1920 -15.1545 -15.1545 -13.4204 -13.4204 -6.8605 -6.8605 -6.6597 -6.6597 -6.6539 -6.6539 -3.6149 -3.6149 -3.4578 -3.4578 -3.2129 -3.2129 -2.2667 -2.2667 -1.8665 -1.8665 -1.7942 -1.7942 -1.7848 -1.7848 -1.0986 -1.0986 -1.0788 -1.0788 -0.6361 -0.6361 -0.4731 -0.4731 -0.4529 -0.4529 -0.0428 -0.0428 0.1105 0.1105 0.7424 0.7424 1.2003 1.2003 1.3866 1.3866 1.4059 1.4059 1.6028 1.6028 1.7267 1.7267 1.7600 1.7600 1.8295 1.8295 1.9197 1.9197 4.8358 4.8358 5.6474 5.6474 5.6896 5.6896 5.7016 5.7016 5.7198 5.7198 5.7392 5.7392 6.3321 6.3321 6.4577 6.4577 6.5603 6.5603 7.1576 7.1576 k = 0.5000 0.5000 0.3448 ( 13376 PWs) bands (ev): -16.9182 -16.9182 -16.9040 -16.9040 -16.9027 -16.9027 -15.2023 -15.2023 -15.1924 -15.1924 -15.1615 -15.1615 -13.4229 -13.4229 -6.8265 -6.8265 -6.6586 -6.6586 -6.6536 -6.6536 -3.6268 -3.6268 -3.4673 -3.4673 -3.2675 -3.2675 -2.2796 -2.2796 -1.8663 -1.8663 -1.8093 -1.8093 -1.7697 -1.7697 -1.0915 -1.0915 -1.0757 -1.0757 -0.6158 -0.6158 -0.4618 -0.4618 -0.4435 -0.4435 -0.0151 -0.0151 0.1222 0.1222 0.7479 0.7479 1.2327 1.2327 1.3578 1.3578 1.4086 1.4086 1.5978 1.5978 1.7035 1.7035 1.7355 1.7355 1.8193 1.8193 1.8908 1.8908 4.8502 4.8502 5.6627 5.6627 5.6990 5.6990 5.7074 5.7074 5.7309 5.7309 5.7478 5.7478 6.3692 6.3692 6.4746 6.4746 6.5625 6.5625 7.1578 7.1578 k = 0.5000 0.5000 0.3621 ( 13400 PWs) bands (ev): -16.9151 -16.9151 -16.9037 -16.9037 -16.9024 -16.9024 -15.2008 -15.2008 -15.1929 -15.1929 -15.1680 -15.1680 -13.4253 -13.4253 -6.7941 -6.7941 -6.6575 -6.6575 -6.6534 -6.6534 -3.6388 -3.6388 -3.4758 -3.4758 -3.3175 -3.3175 -2.2920 -2.2920 -1.8661 -1.8661 -1.8222 -1.8222 -1.7564 -1.7564 -1.0852 -1.0852 -1.0730 -1.0730 -0.5973 -0.5973 -0.4511 -0.4511 -0.4350 -0.4350 0.0137 0.0137 0.1332 0.1332 0.7532 0.7532 1.2639 1.2639 1.3271 1.3271 1.4115 1.4115 1.5930 1.5930 1.6806 1.6806 1.7120 1.7120 1.8100 1.8100 1.8651 1.8651 4.8635 4.8635 5.6767 5.6767 5.7069 5.7069 5.7129 5.7129 5.7414 5.7414 5.7556 5.7556 6.4041 6.4041 6.4912 6.4912 6.5648 6.5648 7.1580 7.1580 k = 0.5000 0.5000 0.3793 ( 13376 PWs) bands (ev): -16.9122 -16.9122 -16.9034 -16.9034 -16.9021 -16.9021 -15.1995 -15.1995 -15.1933 -15.1933 -15.1739 -15.1739 -13.4274 -13.4274 -6.7639 -6.7639 -6.6565 -6.6565 -6.6531 -6.6531 -3.6509 -3.6509 -3.4831 -3.4831 -3.3625 -3.3625 -2.3037 -2.3037 -1.8659 -1.8659 -1.8331 -1.8331 -1.7448 -1.7448 -1.0798 -1.0798 -1.0705 -1.0705 -0.5808 -0.5808 -0.4409 -0.4409 -0.4274 -0.4274 0.0433 0.0433 0.1435 0.1435 0.7580 0.7580 1.2928 1.2928 1.2961 1.2961 1.4144 1.4144 1.5885 1.5885 1.6587 1.6587 1.6894 1.6894 1.8017 1.8017 1.8429 1.8429 4.8757 4.8757 5.6893 5.6893 5.7134 5.7134 5.7182 5.7182 5.7512 5.7512 5.7626 5.7626 6.4358 6.4358 6.5073 6.5073 6.5671 6.5671 7.1582 7.1582 k = 0.5000 0.5000 0.3966 ( 13368 PWs) bands (ev): -16.9096 -16.9096 -16.9031 -16.9031 -16.9018 -16.9018 -15.1982 -15.1982 -15.1936 -15.1936 -15.1792 -15.1792 -13.4293 -13.4293 -6.7363 -6.7363 -6.6557 -6.6557 -6.6528 -6.6528 -3.6629 -3.6629 -3.4895 -3.4895 -3.4016 -3.4016 -2.3145 -2.3145 -1.8658 -1.8658 -1.8421 -1.8421 -1.7349 -1.7349 -1.0752 -1.0752 -1.0684 -1.0684 -0.5666 -0.5666 -0.4315 -0.4315 -0.4207 -0.4207 0.0727 0.0727 0.1528 0.1528 0.7625 0.7625 1.2629 1.2629 1.3221 1.3221 1.4173 1.4173 1.5843 1.5843 1.6382 1.6382 1.6676 1.6676 1.7945 1.7945 1.8240 1.8240 4.8866 4.8866 5.7004 5.7004 5.7188 5.7188 5.7231 5.7231 5.7600 5.7600 5.7687 5.7687 6.4636 6.4636 6.5230 6.5230 6.5696 6.5696 7.1585 7.1585 k = 0.5000 0.5000 0.4138 ( 13368 PWs) bands (ev): -16.9074 -16.9074 -16.9028 -16.9028 -16.9016 -16.9016 -15.1972 -15.1972 -15.1940 -15.1940 -15.1838 -15.1838 -13.4310 -13.4310 -6.7120 -6.7120 -6.6550 -6.6550 -6.6526 -6.6526 -3.6745 -3.6745 -3.4948 -3.4948 -3.4346 -3.4346 -2.3240 -2.3240 -1.8656 -1.8656 -1.8495 -1.8495 -1.7266 -1.7266 -1.0713 -1.0713 -1.0665 -1.0665 -0.5548 -0.5548 -0.4231 -0.4231 -0.4150 -0.4150 0.1010 0.1010 0.1610 0.1610 0.7665 0.7665 1.2319 1.2319 1.3486 1.3486 1.4202 1.4202 1.5803 1.5803 1.6199 1.6199 1.6469 1.6469 1.7884 1.7884 1.8084 1.8084 4.8960 4.8960 5.7097 5.7097 5.7234 5.7234 5.7274 5.7274 5.7677 5.7677 5.7740 5.7740 6.4863 6.4863 6.5380 6.5380 6.5723 6.5723 7.1588 7.1588 k = 0.5000 0.5000 0.4310 ( 13364 PWs) bands (ev): -16.9057 -16.9057 -16.9025 -16.9025 -16.9014 -16.9014 -15.1963 -15.1963 -15.1942 -15.1942 -15.1877 -15.1877 -13.4324 -13.4324 -6.6913 -6.6913 -6.6545 -6.6545 -6.6523 -6.6523 -3.6853 -3.6853 -3.4991 -3.4991 -3.4612 -3.4612 -2.3321 -2.3321 -1.8655 -1.8655 -1.8554 -1.8554 -1.7200 -1.7200 -1.0681 -1.0681 -1.0651 -1.0651 -0.5452 -0.5452 -0.4158 -0.4158 -0.4102 -0.4102 0.1269 0.1269 0.1680 0.1680 0.7698 0.7698 1.2033 1.2033 1.3730 1.3730 1.4228 1.4228 1.5763 1.5763 1.6046 1.6046 1.6275 1.6275 1.7834 1.7834 1.7959 1.7959 4.9038 4.9038 5.7171 5.7171 5.7275 5.7275 5.7310 5.7310 5.7742 5.7742 5.7783 5.7783 6.5036 6.5036 6.5521 6.5521 6.5752 6.5752 7.1591 7.1591 k = 0.5000 0.5000 0.4483 ( 13348 PWs) bands (ev): -16.9045 -16.9045 -16.9021 -16.9021 -16.9013 -16.9013 -15.1957 -15.1957 -15.1944 -15.1944 -15.1907 -15.1907 -13.4335 -13.4335 -6.6748 -6.6748 -6.6541 -6.6541 -6.6521 -6.6521 -3.6948 -3.6948 -3.5024 -3.5024 -3.4815 -3.4815 -2.3385 -2.3385 -1.8655 -1.8655 -1.8598 -1.8598 -1.7149 -1.7149 -1.0656 -1.0656 -1.0639 -1.0639 -0.5380 -0.5380 -0.4098 -0.4098 -0.4066 -0.4066 0.1491 0.1491 0.1735 0.1735 0.7726 0.7726 1.1788 1.1788 1.3946 1.3946 1.4252 1.4252 1.5718 1.5718 1.5932 1.5932 1.6099 1.6099 1.7794 1.7794 1.7864 1.7864 4.9100 4.9100 5.7222 5.7222 5.7313 5.7313 5.7338 5.7338 5.7793 5.7793 5.7817 5.7817 6.5157 6.5157 6.5646 6.5646 6.5780 6.5780 7.1594 7.1594 k = 0.5000 0.5000 0.4655 ( 13348 PWs) bands (ev): -16.9037 -16.9037 -16.9016 -16.9016 -16.9012 -16.9012 -15.1952 -15.1952 -15.1945 -15.1945 -15.1929 -15.1929 -13.4343 -13.4343 -6.6628 -6.6628 -6.6537 -6.6537 -6.6519 -6.6519 -3.7023 -3.7023 -3.5048 -3.5048 -3.4956 -3.4956 -2.3432 -2.3432 -1.8654 -1.8654 -1.8629 -1.8629 -1.7113 -1.7113 -1.0639 -1.0639 -1.0631 -1.0631 -0.5328 -0.5328 -0.4054 -0.4054 -0.4039 -0.4039 0.1663 0.1663 0.1776 0.1776 0.7746 0.7746 1.1600 1.1600 1.4123 1.4123 1.4271 1.4271 1.5668 1.5668 1.5862 1.5862 1.5953 1.5953 1.7767 1.7767 1.7797 1.7797 4.9144 4.9144 5.7254 5.7254 5.7345 5.7345 5.7358 5.7358 5.7831 5.7831 5.7842 5.7842 6.5233 6.5233 6.5745 6.5745 6.5806 6.5806 7.1596 7.1596 k = 0.5000 0.5000 0.4828 ( 13364 PWs) bands (ev): -16.9034 -16.9034 -16.9012 -16.9012 -16.9011 -16.9011 -15.1951 -15.1951 -15.1945 -15.1945 -15.1941 -15.1941 -13.4348 -13.4348 -6.6561 -6.6561 -6.6529 -6.6529 -6.6517 -6.6517 -3.7071 -3.7071 -3.5062 -3.5062 -3.5039 -3.5039 -2.3461 -2.3461 -1.8654 -1.8654 -1.8647 -1.8647 -1.7091 -1.7091 -1.0628 -1.0628 -1.0627 -1.0627 -0.5298 -0.5298 -0.4027 -0.4027 -0.4023 -0.4023 0.1771 0.1771 0.1800 0.1800 0.7759 0.7759 1.1480 1.1480 1.4244 1.4244 1.4284 1.4284 1.5625 1.5625 1.5828 1.5828 1.5853 1.5853 1.7750 1.7750 1.7757 1.7757 4.9171 4.9171 5.7272 5.7272 5.7367 5.7367 5.7370 5.7370 5.7854 5.7854 5.7856 5.7856 6.5275 6.5275 6.5808 6.5808 6.5823 6.5823 7.1598 7.1598 k = 0.5000 0.5000 0.5000 ( 13416 PWs) bands (ev): -16.9033 -16.9033 -16.9011 -16.9011 -16.9011 -16.9011 -15.1952 -15.1952 -15.1945 -15.1945 -15.1945 -15.1945 -13.4350 -13.4350 -6.6548 -6.6548 -6.6517 -6.6517 -6.6517 -6.6517 -3.7087 -3.7087 -3.5067 -3.5067 -3.5067 -3.5067 -2.3471 -2.3471 -1.8654 -1.8654 -1.8654 -1.8654 -1.7084 -1.7084 -1.0625 -1.0625 -1.0625 -1.0625 -0.5288 -0.5288 -0.4018 -0.4018 -0.4018 -0.4018 0.1809 0.1809 0.1809 0.1809 0.7763 0.7763 1.1439 1.1439 1.4288 1.4288 1.4288 1.4288 1.5607 1.5607 1.5818 1.5818 1.5818 1.5818 1.7744 1.7744 1.7744 1.7744 4.9180 4.9180 5.7277 5.7277 5.7374 5.7374 5.7374 5.7374 5.7861 5.7861 5.7861 5.7861 6.5288 6.5288 6.5829 6.5829 6.5829 6.5829 7.1598 7.1598 Writing output data file CsHgxNO2x3.save init_run : 0.68s CPU 0.95s WALL ( 1 calls) electrons : 417.01s CPU 421.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 417.00s CPU 421.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.25s WALL ( 225 calls) cegterg : 385.34s CPU 387.97s WALL ( 225 calls) Called by sum_band: Called by *egterg: h_psi : 240.40s CPU 242.17s WALL ( 3941 calls) s_psi : 15.11s CPU 15.00s WALL ( 3941 calls) g_psi : 1.00s CPU 1.08s WALL ( 3491 calls) cdiaghg : 72.54s CPU 73.44s WALL ( 3716 calls) cegterg:over : 30.68s CPU 30.71s WALL ( 3491 calls) cegterg:upda : 26.48s CPU 26.51s WALL ( 3491 calls) cegterg:last : 16.97s CPU 17.01s WALL ( 903 calls) cdiaghg:chol : 4.48s CPU 4.45s WALL ( 3716 calls) cdiaghg:inve : 3.13s CPU 3.24s WALL ( 3716 calls) cdiaghg:para : 5.90s CPU 5.89s WALL ( 7432 calls) Called by h_psi: h_psi:vloc : 200.48s CPU 202.20s WALL ( 3941 calls) h_psi:vnl : 38.67s CPU 38.82s WALL ( 3941 calls) add_vuspsi : 20.53s CPU 20.58s WALL ( 3941 calls) General routines calbec : 18.11s CPU 18.23s WALL ( 3941 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 188.77s CPU 190.52s WALL ( 1039308 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.70s WALL ( 450 calls) Parallel routines fft_scatter : 64.52s CPU 64.57s WALL ( 1039331 calls) PWSCF : 7m35.48s CPU 7m57.69s WALL This run was terminated on: 17:47:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=