Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 5:49 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: ./BaMgSi.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 64 39 11 4010 1908 293 Max 65 40 13 4019 1934 298 Sum 2337 1433 421 144541 69081 10619 bravais-lattice index = 14 lattice parameter (alat) = 8.7116 a.u. unit-cell volume = 1128.6859 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.711637 celldm(2)= 1.000000 celldm(3)= 1.707158 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 1.707158 ) 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 0.585769 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0032573 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0032573 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0032573 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0032573 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0032573 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0032573 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0032573 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0032573 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0032573 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0032573 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0032573 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0032573 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0032573 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0032573 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0032573 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0032573 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0032573 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0032573 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0032573 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0032573 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0032573 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0032573 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032573 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0032573 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0032573 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0032573 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0032573 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0032573 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0032573 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0032573 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0032573 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0032573 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0032573 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0032573 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032573 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.0146442), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.0292884), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.0439327), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.0585769), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.0732211), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.0878653), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.1025095), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.1171537), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.1317980), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.1464422), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.1610864), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.1757306), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.1903748), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.2050191), wk = 0.0032573 k( 138) = ( 0.0000000 0.0000000 0.2196633), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.2343075), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.2489517), wk = 0.0032573 k( 141) = ( 0.0000000 0.0000000 0.2635959), wk = 0.0032573 k( 142) = ( 0.0000000 0.0000000 0.2782402), wk = 0.0032573 k( 143) = ( 0.0000000 0.0000000 0.2928844), wk = 0.0032573 k( 144) = ( 0.0000000 0.0000000 0.2928844), wk = 0.0032573 k( 145) = ( 0.0000000 0.0142857 0.2928844), wk = 0.0032573 k( 146) = ( 0.0000000 0.0285714 0.2928844), wk = 0.0032573 k( 147) = ( 0.0000000 0.0428571 0.2928844), wk = 0.0032573 k( 148) = ( 0.0000000 0.0571429 0.2928844), wk = 0.0032573 k( 149) = ( 0.0000000 0.0714286 0.2928844), wk = 0.0032573 k( 150) = ( 0.0000000 0.0857143 0.2928844), wk = 0.0032573 k( 151) = ( 0.0000000 0.1000000 0.2928844), wk = 0.0032573 k( 152) = ( 0.0000000 0.1142857 0.2928844), wk = 0.0032573 k( 153) = ( 0.0000000 0.1285714 0.2928844), wk = 0.0032573 k( 154) = ( 0.0000000 0.1428571 0.2928844), wk = 0.0032573 k( 155) = ( 0.0000000 0.1571429 0.2928844), wk = 0.0032573 k( 156) = ( 0.0000000 0.1714286 0.2928844), wk = 0.0032573 k( 157) = ( 0.0000000 0.1857143 0.2928844), wk = 0.0032573 k( 158) = ( 0.0000000 0.2000000 0.2928844), wk = 0.0032573 k( 159) = ( 0.0000000 0.2142857 0.2928844), wk = 0.0032573 k( 160) = ( 0.0000000 0.2285714 0.2928844), wk = 0.0032573 k( 161) = ( 0.0000000 0.2428571 0.2928844), wk = 0.0032573 k( 162) = ( 0.0000000 0.2571429 0.2928844), wk = 0.0032573 k( 163) = ( 0.0000000 0.2714286 0.2928844), wk = 0.0032573 k( 164) = ( 0.0000000 0.2857143 0.2928844), wk = 0.0032573 k( 165) = ( 0.0000000 0.3000000 0.2928844), wk = 0.0032573 k( 166) = ( 0.0000000 0.3142857 0.2928844), wk = 0.0032573 k( 167) = ( 0.0000000 0.3285714 0.2928844), wk = 0.0032573 k( 168) = ( 0.0000000 0.3428571 0.2928844), wk = 0.0032573 k( 169) = ( 0.0000000 0.3571429 0.2928844), wk = 0.0032573 k( 170) = ( 0.0000000 0.3714286 0.2928844), wk = 0.0032573 k( 171) = ( 0.0000000 0.3857143 0.2928844), wk = 0.0032573 k( 172) = ( 0.0000000 0.4000000 0.2928844), wk = 0.0032573 k( 173) = ( 0.0000000 0.4142857 0.2928844), wk = 0.0032573 k( 174) = ( 0.0000000 0.4285714 0.2928844), wk = 0.0032573 k( 175) = ( 0.0000000 0.4428571 0.2928844), wk = 0.0032573 k( 176) = ( 0.0000000 0.4571429 0.2928844), wk = 0.0032573 k( 177) = ( 0.0000000 0.4714286 0.2928844), wk = 0.0032573 k( 178) = ( 0.0000000 0.4857143 0.2928844), wk = 0.0032573 k( 179) = ( 0.0000000 0.5000000 0.2928844), wk = 0.0032573 k( 180) = ( 0.0000000 0.5000000 0.2928844), wk = 0.0032573 k( 181) = ( 0.0142857 0.5000000 0.2928844), wk = 0.0032573 k( 182) = ( 0.0285714 0.5000000 0.2928844), wk = 0.0032573 k( 183) = ( 0.0428571 0.5000000 0.2928844), wk = 0.0032573 k( 184) = ( 0.0571429 0.5000000 0.2928844), wk = 0.0032573 k( 185) = ( 0.0714286 0.5000000 0.2928844), wk = 0.0032573 k( 186) = ( 0.0857143 0.5000000 0.2928844), wk = 0.0032573 k( 187) = ( 0.1000000 0.5000000 0.2928844), wk = 0.0032573 k( 188) = ( 0.1142857 0.5000000 0.2928844), wk = 0.0032573 k( 189) = ( 0.1285714 0.5000000 0.2928844), wk = 0.0032573 k( 190) = ( 0.1428571 0.5000000 0.2928844), wk = 0.0032573 k( 191) = ( 0.1571429 0.5000000 0.2928844), wk = 0.0032573 k( 192) = ( 0.1714286 0.5000000 0.2928844), wk = 0.0032573 k( 193) = ( 0.1857143 0.5000000 0.2928844), wk = 0.0032573 k( 194) = ( 0.2000000 0.5000000 0.2928844), wk = 0.0032573 k( 195) = ( 0.2142857 0.5000000 0.2928844), wk = 0.0032573 k( 196) = ( 0.2285714 0.5000000 0.2928844), wk = 0.0032573 k( 197) = ( 0.2428571 0.5000000 0.2928844), wk = 0.0032573 k( 198) = ( 0.2571429 0.5000000 0.2928844), wk = 0.0032573 k( 199) = ( 0.2714286 0.5000000 0.2928844), wk = 0.0032573 k( 200) = ( 0.2857143 0.5000000 0.2928844), wk = 0.0032573 k( 201) = ( 0.3000000 0.5000000 0.2928844), wk = 0.0032573 k( 202) = ( 0.3142857 0.5000000 0.2928844), wk = 0.0032573 k( 203) = ( 0.3285714 0.5000000 0.2928844), wk = 0.0032573 k( 204) = ( 0.3428571 0.5000000 0.2928844), wk = 0.0032573 k( 205) = ( 0.3571429 0.5000000 0.2928844), wk = 0.0032573 k( 206) = ( 0.3714286 0.5000000 0.2928844), wk = 0.0032573 k( 207) = ( 0.3857143 0.5000000 0.2928844), wk = 0.0032573 k( 208) = ( 0.4000000 0.5000000 0.2928844), wk = 0.0032573 k( 209) = ( 0.4142857 0.5000000 0.2928844), wk = 0.0032573 k( 210) = ( 0.4285714 0.5000000 0.2928844), wk = 0.0032573 k( 211) = ( 0.4428571 0.5000000 0.2928844), wk = 0.0032573 k( 212) = ( 0.4571429 0.5000000 0.2928844), wk = 0.0032573 k( 213) = ( 0.4714286 0.5000000 0.2928844), wk = 0.0032573 k( 214) = ( 0.4857143 0.5000000 0.2928844), wk = 0.0032573 k( 215) = ( 0.5000000 0.5000000 0.2928844), wk = 0.0032573 k( 216) = ( 0.5000000 0.5000000 0.2928844), wk = 0.0032573 k( 217) = ( 0.4897959 0.4897959 0.2928844), wk = 0.0032573 k( 218) = ( 0.4795918 0.4795918 0.2928844), wk = 0.0032573 k( 219) = ( 0.4693878 0.4693878 0.2928844), wk = 0.0032573 k( 220) = ( 0.4591837 0.4591837 0.2928844), wk = 0.0032573 k( 221) = ( 0.4489796 0.4489796 0.2928844), wk = 0.0032573 k( 222) = ( 0.4387755 0.4387755 0.2928844), wk = 0.0032573 k( 223) = ( 0.4285714 0.4285714 0.2928844), wk = 0.0032573 k( 224) = ( 0.4183674 0.4183673 0.2928844), wk = 0.0032573 k( 225) = ( 0.4081633 0.4081633 0.2928844), wk = 0.0032573 k( 226) = ( 0.3979592 0.3979592 0.2928844), wk = 0.0032573 k( 227) = ( 0.3877551 0.3877551 0.2928844), wk = 0.0032573 k( 228) = ( 0.3775510 0.3775510 0.2928844), wk = 0.0032573 k( 229) = ( 0.3673469 0.3673469 0.2928844), wk = 0.0032573 k( 230) = ( 0.3571429 0.3571429 0.2928844), wk = 0.0032573 k( 231) = ( 0.3469388 0.3469388 0.2928844), wk = 0.0032573 k( 232) = ( 0.3367347 0.3367347 0.2928844), wk = 0.0032573 k( 233) = ( 0.3265306 0.3265306 0.2928844), wk = 0.0032573 k( 234) = ( 0.3163265 0.3163265 0.2928844), wk = 0.0032573 k( 235) = ( 0.3061224 0.3061224 0.2928844), wk = 0.0032573 k( 236) = ( 0.2959184 0.2959184 0.2928844), wk = 0.0032573 k( 237) = ( 0.2857143 0.2857143 0.2928844), wk = 0.0032573 k( 238) = ( 0.2755102 0.2755102 0.2928844), wk = 0.0032573 k( 239) = ( 0.2653061 0.2653061 0.2928844), wk = 0.0032573 k( 240) = ( 0.2551020 0.2551020 0.2928844), wk = 0.0032573 k( 241) = ( 0.2448980 0.2448980 0.2928844), wk = 0.0032573 k( 242) = ( 0.2346939 0.2346939 0.2928844), wk = 0.0032573 k( 243) = ( 0.2244898 0.2244898 0.2928844), wk = 0.0032573 k( 244) = ( 0.2142857 0.2142857 0.2928844), wk = 0.0032573 k( 245) = ( 0.2040816 0.2040816 0.2928844), wk = 0.0032573 k( 246) = ( 0.1938776 0.1938775 0.2928844), wk = 0.0032573 k( 247) = ( 0.1836735 0.1836735 0.2928844), wk = 0.0032573 k( 248) = ( 0.1734694 0.1734694 0.2928844), wk = 0.0032573 k( 249) = ( 0.1632653 0.1632653 0.2928844), wk = 0.0032573 k( 250) = ( 0.1530612 0.1530612 0.2928844), wk = 0.0032573 k( 251) = ( 0.1428571 0.1428571 0.2928844), wk = 0.0032573 k( 252) = ( 0.1326531 0.1326531 0.2928844), wk = 0.0032573 k( 253) = ( 0.1224490 0.1224490 0.2928844), wk = 0.0032573 k( 254) = ( 0.1122449 0.1122449 0.2928844), wk = 0.0032573 k( 255) = ( 0.1020408 0.1020408 0.2928844), wk = 0.0032573 k( 256) = ( 0.0918367 0.0918367 0.2928844), wk = 0.0032573 k( 257) = ( 0.0816327 0.0816326 0.2928844), wk = 0.0032573 k( 258) = ( 0.0714286 0.0714286 0.2928844), wk = 0.0032573 k( 259) = ( 0.0612245 0.0612245 0.2928844), wk = 0.0032573 k( 260) = ( 0.0510204 0.0510204 0.2928844), wk = 0.0032573 k( 261) = ( 0.0408163 0.0408163 0.2928844), wk = 0.0032573 k( 262) = ( 0.0306122 0.0306122 0.2928844), wk = 0.0032573 k( 263) = ( 0.0204082 0.0204082 0.2928844), wk = 0.0032573 k( 264) = ( 0.0102041 0.0102041 0.2928844), wk = 0.0032573 k( 265) = ( 0.0000000 0.0000000 0.2928844), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.0000000 0.5000000 0.0146442), wk = 0.0032573 k( 268) = ( 0.0000000 0.5000000 0.0292884), wk = 0.0032573 k( 269) = ( 0.0000000 0.5000000 0.0439327), wk = 0.0032573 k( 270) = ( 0.0000000 0.5000000 0.0585769), wk = 0.0032573 k( 271) = ( 0.0000000 0.5000000 0.0732211), wk = 0.0032573 k( 272) = ( 0.0000000 0.5000000 0.0878653), wk = 0.0032573 k( 273) = ( 0.0000000 0.5000000 0.1025095), wk = 0.0032573 k( 274) = ( 0.0000000 0.5000000 0.1171537), wk = 0.0032573 k( 275) = ( 0.0000000 0.5000000 0.1317980), wk = 0.0032573 k( 276) = ( 0.0000000 0.5000000 0.1464422), wk = 0.0032573 k( 277) = ( 0.0000000 0.5000000 0.1610864), wk = 0.0032573 k( 278) = ( 0.0000000 0.5000000 0.1757306), wk = 0.0032573 k( 279) = ( 0.0000000 0.5000000 0.1903748), wk = 0.0032573 k( 280) = ( 0.0000000 0.5000000 0.2050191), wk = 0.0032573 k( 281) = ( 0.0000000 0.5000000 0.2196633), wk = 0.0032573 k( 282) = ( 0.0000000 0.5000000 0.2343075), wk = 0.0032573 k( 283) = ( 0.0000000 0.5000000 0.2489517), wk = 0.0032573 k( 284) = ( 0.0000000 0.5000000 0.2635959), wk = 0.0032573 k( 285) = ( 0.0000000 0.5000000 0.2782402), wk = 0.0032573 k( 286) = ( 0.0000000 0.5000000 0.2928844), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.0146442), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.0292884), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.0439327), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.0585769), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.0732211), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.0878653), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.1025095), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.1171537), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.1317980), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.1464422), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.1610864), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.1757306), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.1903748), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.2050191), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.2196633), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.2343075), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.2489517), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.2635959), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.2782402), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.2928844), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0032573 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4183674 0.4183674 -0.0000000), wk = 0.0032573 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0032573 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0032573 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0032573 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0032573 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0032573 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0032573 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0032573 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0032573 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0032573 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0032573 k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0032573 k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0032573 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032573 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0032573 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0032573 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0032573 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0032573 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0032573 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0032573 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0032573 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0032573 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0032573 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0032573 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0032573 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0032573 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0032573 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0032573 k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0032573 k( 114) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0032573 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0032573 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0032573 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0032573 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0032573 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032573 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032573 k( 138) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032573 k( 141) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032573 k( 142) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032573 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 145) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0032573 k( 146) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0032573 k( 147) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0032573 k( 148) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0032573 k( 149) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0032573 k( 150) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0032573 k( 151) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0032573 k( 152) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0032573 k( 153) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0032573 k( 154) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0032573 k( 155) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0032573 k( 156) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0032573 k( 157) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0032573 k( 158) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0032573 k( 159) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0032573 k( 160) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0032573 k( 161) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0032573 k( 162) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0032573 k( 163) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0032573 k( 164) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0032573 k( 165) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0032573 k( 166) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0032573 k( 167) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0032573 k( 168) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0032573 k( 169) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0032573 k( 170) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0032573 k( 171) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0032573 k( 172) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0032573 k( 173) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0032573 k( 174) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0032573 k( 175) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0032573 k( 176) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0032573 k( 177) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0032573 k( 178) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0032573 k( 179) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 180) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 181) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0032573 k( 182) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0032573 k( 183) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0032573 k( 184) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0032573 k( 185) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0032573 k( 186) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0032573 k( 187) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0032573 k( 188) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0032573 k( 189) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0032573 k( 190) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0032573 k( 191) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0032573 k( 192) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0032573 k( 193) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0032573 k( 194) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0032573 k( 195) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0032573 k( 196) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0032573 k( 197) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0032573 k( 198) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0032573 k( 199) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0032573 k( 200) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0032573 k( 201) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0032573 k( 202) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0032573 k( 203) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0032573 k( 204) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0032573 k( 205) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0032573 k( 206) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0032573 k( 207) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0032573 k( 208) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0032573 k( 209) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0032573 k( 212) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0032573 k( 213) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0032573 k( 214) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0032573 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 217) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0032573 k( 218) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0032573 k( 219) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0032573 k( 220) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0032573 k( 221) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0032573 k( 222) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0032573 k( 223) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0032573 k( 224) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0032573 k( 225) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0032573 k( 226) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0032573 k( 227) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0032573 k( 228) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0032573 k( 229) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0032573 k( 230) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0032573 k( 231) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0032573 k( 232) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0032573 k( 233) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032573 k( 234) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0032573 k( 235) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0032573 k( 236) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0032573 k( 237) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032573 k( 238) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0032573 k( 239) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032573 k( 240) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0032573 k( 241) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032573 k( 242) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0032573 k( 243) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032573 k( 244) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0032573 k( 245) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032573 k( 246) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0032573 k( 247) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032573 k( 248) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0032573 k( 249) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032573 k( 250) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0032573 k( 251) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032573 k( 252) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0032573 k( 253) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032573 k( 254) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0032573 k( 255) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032573 k( 256) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0032573 k( 257) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032573 k( 258) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0032573 k( 259) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032573 k( 260) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0032573 k( 261) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032573 k( 262) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0032573 k( 263) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032573 k( 264) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0032573 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0032573 k( 268) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0032573 k( 269) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0032573 k( 270) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0032573 k( 271) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0032573 k( 272) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0032573 k( 273) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0032573 k( 274) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0032573 k( 275) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0032573 k( 276) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032573 k( 277) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0032573 k( 278) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0032573 k( 279) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0032573 k( 280) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0032573 k( 281) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0032573 k( 282) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0032573 k( 283) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0032573 k( 284) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0032573 k( 285) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0032573 k( 286) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 144541 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 69081 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 476, 58) NL pseudopotentials 0.60 Mb ( 238, 166) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4015) G-vector shells 0.02 Mb ( 1979) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.69 Mb ( 476, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 166, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./BaMgSi.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.6 secs Computing kpt #: 12 total cpu time spent up to now is 12.5 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.0 secs Computing kpt #: 17 total cpu time spent up to now is 16.9 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.7 secs Computing kpt #: 20 total cpu time spent up to now is 19.7 secs Computing kpt #: 21 total cpu time spent up to now is 20.6 secs Computing kpt #: 22 total cpu time spent up to now is 21.4 secs Computing kpt #: 23 total cpu time spent up to now is 22.2 secs Computing kpt #: 24 total cpu time spent up to now is 23.0 secs Computing kpt #: 25 total cpu time spent up to now is 23.7 secs Computing kpt #: 26 total cpu time spent up to now is 24.5 secs Computing kpt #: 27 total cpu time spent up to now is 25.2 secs Computing kpt #: 28 total cpu time spent up to now is 26.1 secs Computing kpt #: 29 total cpu time spent up to now is 26.9 secs Computing kpt #: 30 total cpu time spent up to now is 27.6 secs Computing kpt #: 31 total cpu time spent up to now is 28.4 secs Computing kpt #: 32 total cpu time spent up to now is 29.1 secs Computing kpt #: 33 total cpu time spent up to now is 29.9 secs Computing kpt #: 34 total cpu time spent up to now is 30.8 secs Computing kpt #: 35 total cpu time spent up to now is 31.6 secs Computing kpt #: 36 total cpu time spent up to now is 32.4 secs Computing kpt #: 37 total cpu time spent up to now is 33.1 secs Computing kpt #: 38 total cpu time spent up to now is 34.0 secs Computing kpt #: 39 total cpu time spent up to now is 34.9 secs Computing kpt #: 40 total cpu time spent up to now is 35.8 secs Computing kpt #: 41 total cpu time spent up to now is 36.7 secs Computing kpt #: 42 total cpu time spent up to now is 37.7 secs Computing kpt #: 43 total cpu time spent up to now is 38.6 secs Computing kpt #: 44 total cpu time spent up to now is 39.8 secs Computing kpt #: 45 total cpu time spent up to now is 41.0 secs Computing kpt #: 46 total cpu time spent up to now is 42.2 secs Computing kpt #: 47 total cpu time spent up to now is 43.4 secs Computing kpt #: 48 total cpu time spent up to now is 44.6 secs Computing kpt #: 49 total cpu time spent up to now is 45.8 secs Computing kpt #: 50 total cpu time spent up to now is 47.0 secs Computing kpt #: 51 total cpu time spent up to now is 48.2 secs Computing kpt #: 52 total cpu time spent up to now is 49.4 secs Computing kpt #: 53 total cpu time spent up to now is 50.6 secs Computing kpt #: 54 total cpu time spent up to now is 51.8 secs Computing kpt #: 55 total cpu time spent up to now is 53.0 secs Computing kpt #: 56 total cpu time spent up to now is 54.2 secs Computing kpt #: 57 total cpu time spent up to now is 55.4 secs Computing kpt #: 58 total cpu time spent up to now is 56.6 secs Computing kpt #: 59 total cpu time spent up to now is 57.7 secs Computing kpt #: 60 total cpu time spent up to now is 59.0 secs Computing kpt #: 61 total cpu time spent up to now is 60.2 secs Computing kpt #: 62 total cpu time spent up to now is 61.4 secs Computing kpt #: 63 total cpu time spent up to now is 63.3 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.5 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.7 secs Computing kpt #: 66 total cpu time spent up to now is 69.6 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.8 secs Computing kpt #: 68 total cpu time spent up to now is 74.1 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.3 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.6 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.9 secs Computing kpt #: 72 total cpu time spent up to now is 81.7 secs Computing kpt #: 73 total cpu time spent up to now is 82.6 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.9 secs Computing kpt #: 75 total cpu time spent up to now is 86.4 secs Computing kpt #: 76 total cpu time spent up to now is 87.5 secs Computing kpt #: 77 total cpu time spent up to now is 88.7 secs Computing kpt #: 78 total cpu time spent up to now is 89.9 secs Computing kpt #: 79 total cpu time spent up to now is 91.6 secs Computing kpt #: 80 total cpu time spent up to now is 93.3 secs Computing kpt #: 81 total cpu time spent up to now is 94.6 secs Computing kpt #: 82 total cpu time spent up to now is 95.8 secs Computing kpt #: 83 total cpu time spent up to now is 96.9 secs Computing kpt #: 84 total cpu time spent up to now is 98.1 secs Computing kpt #: 85 total cpu time spent up to now is 99.2 secs Computing kpt #: 86 total cpu time spent up to now is 100.5 secs Computing kpt #: 87 total cpu time spent up to now is 101.7 secs Computing kpt #: 88 total cpu time spent up to now is 103.2 secs Computing kpt #: 89 total cpu time spent up to now is 104.3 secs Computing kpt #: 90 total cpu time spent up to now is 105.3 secs Computing kpt #: 91 total cpu time spent up to now is 106.2 secs Computing kpt #: 92 total cpu time spent up to now is 107.2 secs Computing kpt #: 93 total cpu time spent up to now is 108.2 secs Computing kpt #: 94 total cpu time spent up to now is 109.1 secs Computing kpt #: 95 total cpu time spent up to now is 110.0 secs Computing kpt #: 96 total cpu time spent up to now is 110.8 secs Computing kpt #: 97 total cpu time spent up to now is 111.7 secs Computing kpt #: 98 total cpu time spent up to now is 112.5 secs Computing kpt #: 99 total cpu time spent up to now is 113.4 secs Computing kpt #: 100 total cpu time spent up to now is 114.2 secs Computing kpt #: 101 total cpu time spent up to now is 115.1 secs Computing kpt #: 102 total cpu time spent up to now is 116.0 secs Computing kpt #: 103 total cpu time spent up to now is 116.7 secs Computing kpt #: 104 total cpu time spent up to now is 117.6 secs Computing kpt #: 105 total cpu time spent up to now is 118.5 secs Computing kpt #: 106 total cpu time spent up to now is 119.4 secs Computing kpt #: 107 total cpu time spent up to now is 120.3 secs Computing kpt #: 108 total cpu time spent up to now is 121.2 secs Computing kpt #: 109 total cpu time spent up to now is 122.2 secs Computing kpt #: 110 total cpu time spent up to now is 123.1 secs Computing kpt #: 111 total cpu time spent up to now is 123.8 secs Computing kpt #: 112 total cpu time spent up to now is 124.6 secs Computing kpt #: 113 total cpu time spent up to now is 125.4 secs Computing kpt #: 114 total cpu time spent up to now is 126.1 secs Computing kpt #: 115 total cpu time spent up to now is 126.9 secs Computing kpt #: 116 total cpu time spent up to now is 127.6 secs Computing kpt #: 117 total cpu time spent up to now is 128.4 secs Computing kpt #: 118 total cpu time spent up to now is 129.1 secs Computing kpt #: 119 total cpu time spent up to now is 129.8 secs Computing kpt #: 120 total cpu time spent up to now is 130.7 secs Computing kpt #: 121 total cpu time spent up to now is 131.4 secs Computing kpt #: 122 total cpu time spent up to now is 132.3 secs Computing kpt #: 123 total cpu time spent up to now is 133.1 secs Computing kpt #: 124 total cpu time spent up to now is 133.9 secs Computing kpt #: 125 total cpu time spent up to now is 134.8 secs Computing kpt #: 126 total cpu time spent up to now is 135.5 secs Computing kpt #: 127 total cpu time spent up to now is 136.3 secs Computing kpt #: 128 total cpu time spent up to now is 137.2 secs Computing kpt #: 129 total cpu time spent up to now is 137.9 secs Computing kpt #: 130 total cpu time spent up to now is 138.7 secs Computing kpt #: 131 total cpu time spent up to now is 139.4 secs Computing kpt #: 132 total cpu time spent up to now is 140.1 secs Computing kpt #: 133 total cpu time spent up to now is 140.8 secs Computing kpt #: 134 total cpu time spent up to now is 141.7 secs Computing kpt #: 135 total cpu time spent up to now is 142.4 secs Computing kpt #: 136 total cpu time spent up to now is 143.1 secs Computing kpt #: 137 total cpu time spent up to now is 143.9 secs Computing kpt #: 138 total cpu time spent up to now is 144.6 secs Computing kpt #: 139 total cpu time spent up to now is 145.4 secs Computing kpt #: 140 total cpu time spent up to now is 146.1 secs Computing kpt #: 141 total cpu time spent up to now is 146.8 secs Computing kpt #: 142 total cpu time spent up to now is 147.6 secs Computing kpt #: 143 total cpu time spent up to now is 148.3 secs Computing kpt #: 144 total cpu time spent up to now is 149.0 secs Computing kpt #: 145 total cpu time spent up to now is 149.7 secs Computing kpt #: 146 total cpu time spent up to now is 150.5 secs Computing kpt #: 147 total cpu time spent up to now is 151.3 secs Computing kpt #: 148 total cpu time spent up to now is 152.0 secs Computing kpt #: 149 total cpu time spent up to now is 152.9 secs Computing kpt #: 150 total cpu time spent up to now is 153.7 secs Computing kpt #: 151 total cpu time spent up to now is 154.6 secs Computing kpt #: 152 total cpu time spent up to now is 155.4 secs Computing kpt #: 153 total cpu time spent up to now is 156.3 secs Computing kpt #: 154 total cpu time spent up to now is 157.2 secs Computing kpt #: 155 total cpu time spent up to now is 158.0 secs Computing kpt #: 156 total cpu time spent up to now is 158.9 secs Computing kpt #: 157 total cpu time spent up to now is 159.8 secs Computing kpt #: 158 total cpu time spent up to now is 160.7 secs Computing kpt #: 159 total cpu time spent up to now is 161.6 secs Computing kpt #: 160 total cpu time spent up to now is 162.4 secs Computing kpt #: 161 total cpu time spent up to now is 163.3 secs Computing kpt #: 162 total cpu time spent up to now is 164.2 secs Computing kpt #: 163 total cpu time spent up to now is 164.9 secs Computing kpt #: 164 total cpu time spent up to now is 165.7 secs Computing kpt #: 165 total cpu time spent up to now is 166.5 secs Computing kpt #: 166 total cpu time spent up to now is 167.4 secs Computing kpt #: 167 total cpu time spent up to now is 168.3 secs Computing kpt #: 168 total cpu time spent up to now is 169.1 secs Computing kpt #: 169 total cpu time spent up to now is 170.0 secs Computing kpt #: 170 total cpu time spent up to now is 170.8 secs Computing kpt #: 171 total cpu time spent up to now is 171.7 secs Computing kpt #: 172 total cpu time spent up to now is 172.6 secs Computing kpt #: 173 total cpu time spent up to now is 173.5 secs Computing kpt #: 174 total cpu time spent up to now is 174.4 secs Computing kpt #: 175 total cpu time spent up to now is 175.4 secs Computing kpt #: 176 total cpu time spent up to now is 176.4 secs Computing kpt #: 177 total cpu time spent up to now is 177.5 secs Computing kpt #: 178 total cpu time spent up to now is 178.7 secs Computing kpt #: 179 total cpu time spent up to now is 179.6 secs Computing kpt #: 180 total cpu time spent up to now is 180.5 secs Computing kpt #: 181 total cpu time spent up to now is 182.3 secs Computing kpt #: 182 total cpu time spent up to now is 183.5 secs Computing kpt #: 183 total cpu time spent up to now is 184.7 secs Computing kpt #: 184 total cpu time spent up to now is 186.2 secs Computing kpt #: 185 total cpu time spent up to now is 187.2 secs Computing kpt #: 186 total cpu time spent up to now is 188.4 secs Computing kpt #: 187 total cpu time spent up to now is 189.4 secs Computing kpt #: 188 total cpu time spent up to now is 190.3 secs Computing kpt #: 189 total cpu time spent up to now is 191.3 secs Computing kpt #: 190 total cpu time spent up to now is 192.2 secs Computing kpt #: 191 total cpu time spent up to now is 193.2 secs Computing kpt #: 192 total cpu time spent up to now is 194.1 secs Computing kpt #: 193 total cpu time spent up to now is 195.0 secs Computing kpt #: 194 total cpu time spent up to now is 196.0 secs Computing kpt #: 195 total cpu time spent up to now is 196.9 secs Computing kpt #: 196 total cpu time spent up to now is 197.7 secs Computing kpt #: 197 total cpu time spent up to now is 198.6 secs Computing kpt #: 198 total cpu time spent up to now is 199.5 secs Computing kpt #: 199 total cpu time spent up to now is 200.4 secs Computing kpt #: 200 total cpu time spent up to now is 201.2 secs Computing kpt #: 201 total cpu time spent up to now is 202.1 secs Computing kpt #: 202 total cpu time spent up to now is 202.9 secs Computing kpt #: 203 total cpu time spent up to now is 203.7 secs Computing kpt #: 204 total cpu time spent up to now is 204.4 secs Computing kpt #: 205 total cpu time spent up to now is 205.1 secs Computing kpt #: 206 total cpu time spent up to now is 206.0 secs Computing kpt #: 207 total cpu time spent up to now is 206.8 secs Computing kpt #: 208 total cpu time spent up to now is 207.7 secs Computing kpt #: 209 total cpu time spent up to now is 208.6 secs Computing kpt #: 210 total cpu time spent up to now is 209.5 secs Computing kpt #: 211 total cpu time spent up to now is 210.4 secs Computing kpt #: 212 total cpu time spent up to now is 211.4 secs Computing kpt #: 213 total cpu time spent up to now is 212.3 secs Computing kpt #: 214 total cpu time spent up to now is 213.3 secs Computing kpt #: 215 total cpu time spent up to now is 214.1 secs Computing kpt #: 216 total cpu time spent up to now is 214.9 secs Computing kpt #: 217 total cpu time spent up to now is 215.8 secs Computing kpt #: 218 total cpu time spent up to now is 216.7 secs Computing kpt #: 219 total cpu time spent up to now is 217.6 secs Computing kpt #: 220 total cpu time spent up to now is 218.5 secs Computing kpt #: 221 total cpu time spent up to now is 219.4 secs Computing kpt #: 222 total cpu time spent up to now is 220.2 secs Computing kpt #: 223 total cpu time spent up to now is 221.1 secs Computing kpt #: 224 total cpu time spent up to now is 222.0 secs Computing kpt #: 225 total cpu time spent up to now is 222.9 secs Computing kpt #: 226 total cpu time spent up to now is 223.7 secs Computing kpt #: 227 total cpu time spent up to now is 224.6 secs Computing kpt #: 228 total cpu time spent up to now is 225.4 secs Computing kpt #: 229 total cpu time spent up to now is 226.3 secs Computing kpt #: 230 total cpu time spent up to now is 227.1 secs Computing kpt #: 231 total cpu time spent up to now is 228.0 secs Computing kpt #: 232 total cpu time spent up to now is 228.8 secs Computing kpt #: 233 total cpu time spent up to now is 229.7 secs Computing kpt #: 234 total cpu time spent up to now is 230.6 secs Computing kpt #: 235 total cpu time spent up to now is 231.4 secs Computing kpt #: 236 total cpu time spent up to now is 232.4 secs Computing kpt #: 237 total cpu time spent up to now is 233.4 secs Computing kpt #: 238 total cpu time spent up to now is 234.4 secs Computing kpt #: 239 total cpu time spent up to now is 235.4 secs Computing kpt #: 240 total cpu time spent up to now is 236.4 secs Computing kpt #: 241 total cpu time spent up to now is 237.4 secs Computing kpt #: 242 total cpu time spent up to now is 238.4 secs Computing kpt #: 243 total cpu time spent up to now is 239.3 secs Computing kpt #: 244 total cpu time spent up to now is 240.2 secs Computing kpt #: 245 total cpu time spent up to now is 240.9 secs Computing kpt #: 246 total cpu time spent up to now is 241.7 secs Computing kpt #: 247 total cpu time spent up to now is 242.4 secs Computing kpt #: 248 total cpu time spent up to now is 243.3 secs Computing kpt #: 249 total cpu time spent up to now is 244.2 secs Computing kpt #: 250 total cpu time spent up to now is 245.1 secs Computing kpt #: 251 total cpu time spent up to now is 246.0 secs Computing kpt #: 252 total cpu time spent up to now is 246.8 secs Computing kpt #: 253 total cpu time spent up to now is 247.7 secs Computing kpt #: 254 total cpu time spent up to now is 248.6 secs Computing kpt #: 255 total cpu time spent up to now is 249.5 secs Computing kpt #: 256 total cpu time spent up to now is 250.4 secs Computing kpt #: 257 total cpu time spent up to now is 251.3 secs Computing kpt #: 258 total cpu time spent up to now is 252.2 secs Computing kpt #: 259 total cpu time spent up to now is 253.1 secs Computing kpt #: 260 total cpu time spent up to now is 254.0 secs Computing kpt #: 261 total cpu time spent up to now is 255.1 secs Computing kpt #: 262 total cpu time spent up to now is 255.9 secs Computing kpt #: 263 total cpu time spent up to now is 256.8 secs Computing kpt #: 264 total cpu time spent up to now is 257.5 secs Computing kpt #: 265 total cpu time spent up to now is 258.3 secs Computing kpt #: 266 total cpu time spent up to now is 259.0 secs Computing kpt #: 267 total cpu time spent up to now is 259.8 secs Computing kpt #: 268 total cpu time spent up to now is 260.6 secs Computing kpt #: 269 total cpu time spent up to now is 261.6 secs Computing kpt #: 270 total cpu time spent up to now is 262.5 secs Computing kpt #: 271 total cpu time spent up to now is 263.4 secs Computing kpt #: 272 total cpu time spent up to now is 264.3 secs Computing kpt #: 273 total cpu time spent up to now is 265.2 secs Computing kpt #: 274 total cpu time spent up to now is 266.1 secs Computing kpt #: 275 total cpu time spent up to now is 267.1 secs Computing kpt #: 276 total cpu time spent up to now is 268.0 secs Computing kpt #: 277 total cpu time spent up to now is 268.9 secs Computing kpt #: 278 total cpu time spent up to now is 269.8 secs Computing kpt #: 279 total cpu time spent up to now is 270.8 secs Computing kpt #: 280 total cpu time spent up to now is 271.7 secs Computing kpt #: 281 total cpu time spent up to now is 272.5 secs Computing kpt #: 282 total cpu time spent up to now is 273.4 secs Computing kpt #: 283 total cpu time spent up to now is 274.2 secs Computing kpt #: 284 total cpu time spent up to now is 275.1 secs Computing kpt #: 285 total cpu time spent up to now is 276.0 secs Computing kpt #: 286 total cpu time spent up to now is 276.8 secs Computing kpt #: 287 total cpu time spent up to now is 277.8 secs Computing kpt #: 288 total cpu time spent up to now is 278.7 secs Computing kpt #: 289 total cpu time spent up to now is 279.5 secs Computing kpt #: 290 total cpu time spent up to now is 280.3 secs Computing kpt #: 291 total cpu time spent up to now is 281.1 secs Computing kpt #: 292 total cpu time spent up to now is 281.8 secs Computing kpt #: 293 total cpu time spent up to now is 282.5 secs Computing kpt #: 294 total cpu time spent up to now is 283.2 secs Computing kpt #: 295 total cpu time spent up to now is 283.8 secs Computing kpt #: 296 total cpu time spent up to now is 284.5 secs Computing kpt #: 297 total cpu time spent up to now is 285.2 secs Computing kpt #: 298 total cpu time spent up to now is 285.8 secs Computing kpt #: 299 total cpu time spent up to now is 286.5 secs Computing kpt #: 300 total cpu time spent up to now is 287.1 secs Computing kpt #: 301 total cpu time spent up to now is 287.8 secs Computing kpt #: 302 total cpu time spent up to now is 288.5 secs Computing kpt #: 303 total cpu time spent up to now is 289.2 secs Computing kpt #: 304 total cpu time spent up to now is 289.9 secs Computing kpt #: 305 total cpu time spent up to now is 290.5 secs Computing kpt #: 306 total cpu time spent up to now is 291.2 secs Computing kpt #: 307 total cpu time spent up to now is 292.1 secs ethr = 2.08E-08, avg # of iterations = 29.6 total cpu time spent up to now is 292.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8649 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1929 -7.1929 -6.9770 -6.9770 -5.3162 -5.3162 -5.1311 -5.1311 -5.0051 -5.0051 -4.8597 -4.8597 -0.3481 -0.3481 0.9440 0.9440 4.7894 4.7894 6.4632 6.4632 6.5111 6.5111 6.9287 6.9287 7.0683 7.0683 7.6743 7.6743 7.7472 7.7472 8.5393 8.5393 8.7431 8.7431 9.0238 9.0238 9.8793 9.8793 k = 0.0000 0.0143-0.0000 ( 8639 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1929 -7.1929 -6.9773 -6.9773 -5.3161 -5.3161 -5.1316 -5.1316 -5.0048 -5.0048 -4.8601 -4.8601 -0.3466 -0.3466 0.9446 0.9446 4.7909 4.7909 6.4540 6.4540 6.5043 6.5043 6.9331 6.9331 7.0793 7.0793 7.6638 7.6638 7.7372 7.7372 8.5499 8.5499 8.7443 8.7443 9.0337 9.0337 9.8735 9.8735 k = 0.0000 0.0286-0.0000 ( 8639 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4496 -20.4496 -20.3732 -20.3732 -7.1929 -7.1929 -6.9779 -6.9779 -5.3159 -5.3159 -5.1332 -5.1332 -5.0042 -5.0042 -4.8614 -4.8614 -0.3423 -0.3423 0.9463 0.9463 4.7952 4.7952 6.4181 6.4181 6.4965 6.4965 6.9432 6.9432 7.1108 7.1108 7.6266 7.6266 7.7162 7.7162 8.5783 8.5783 8.7479 8.7479 9.0631 9.0631 9.8567 9.8567 k = 0.0000 0.0429-0.0000 ( 8629 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6131 -34.6131 -34.6106 -34.6106 -34.6030 -34.6030 -20.4493 -20.4493 -20.3732 -20.3732 -7.1929 -7.1929 -6.9791 -6.9791 -5.3156 -5.3156 -5.1357 -5.1357 -5.0033 -5.0033 -4.8634 -4.8634 -0.3351 -0.3351 0.9491 0.9491 4.8025 4.8025 6.3571 6.3571 6.4952 6.4952 6.9544 6.9544 7.1587 7.1587 7.5599 7.5599 7.6951 7.6951 8.6170 8.6170 8.7531 8.7531 9.1113 9.1113 9.8303 9.8303 k = 0.0000 0.0571-0.0000 ( 8631 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6130 -34.6130 -34.6106 -34.6106 -34.6030 -34.6030 -20.4489 -20.4489 -20.3734 -20.3734 -7.1929 -7.1929 -6.9807 -6.9807 -5.3151 -5.3151 -5.1391 -5.1391 -5.0021 -5.0021 -4.8662 -4.8662 -0.3251 -0.3251 0.9529 0.9529 4.8126 4.8126 6.2815 6.2815 6.4972 6.4972 6.9656 6.9656 7.2170 7.2170 7.4724 7.4724 7.6734 7.6734 8.6598 8.6598 8.7594 8.7594 9.1763 9.1763 9.7960 9.7960 k = 0.0000 0.0714-0.0000 ( 8649 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6131 -34.6131 -34.6106 -34.6106 -34.6031 -34.6031 -20.4483 -20.4483 -20.3735 -20.3735 -7.1929 -7.1929 -6.9827 -6.9827 -5.3146 -5.3146 -5.1432 -5.1432 -5.0008 -5.0008 -4.8697 -4.8697 -0.3122 -0.3122 0.9578 0.9578 4.8255 4.8255 6.1976 6.1976 6.5009 6.5009 6.9770 6.9770 7.2810 7.2810 7.3724 7.3724 7.6492 7.6492 8.7034 8.7034 8.7655 8.7655 9.2547 9.2547 9.7551 9.7551 k = 0.0000 0.0857-0.0000 ( 8641 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8949 -34.8949 -34.6150 -34.6150 -34.6130 -34.6130 -34.6106 -34.6106 -34.6031 -34.6031 -20.4477 -20.4477 -20.3737 -20.3737 -7.1928 -7.1928 -6.9852 -6.9852 -5.3140 -5.3140 -5.1478 -5.1478 -4.9995 -4.9995 -4.8738 -4.8738 -0.2966 -0.2966 0.9636 0.9636 4.8411 4.8411 6.1087 6.1087 6.5058 6.5058 6.9890 6.9890 7.2649 7.2649 7.3479 7.3479 7.6217 7.6217 8.7471 8.7471 8.7706 8.7706 9.3421 9.3421 9.7083 9.7083 k = 0.0000 0.1000-0.0000 ( 8629 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8949 -34.8949 -34.6149 -34.6149 -34.6130 -34.6130 -34.6106 -34.6106 -34.6032 -34.6032 -20.4469 -20.4469 -20.3739 -20.3739 -7.1928 -7.1928 -6.9881 -6.9881 -5.3133 -5.3133 -5.1529 -5.1529 -4.9984 -4.9984 -4.8783 -4.8783 -0.2784 -0.2784 0.9702 0.9702 4.8595 4.8595 6.0169 6.0169 6.5117 6.5117 7.0016 7.0016 7.1531 7.1531 7.4159 7.4159 7.5913 7.5913 8.7720 8.7720 8.7924 8.7924 9.4334 9.4334 9.6570 9.6570 k = 0.0000 0.1143-0.0000 ( 8631 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8949 -34.8949 -34.6148 -34.6148 -34.6130 -34.6130 -34.6107 -34.6107 -34.6033 -34.6033 -20.4461 -20.4461 -20.3742 -20.3742 -7.1927 -7.1927 -6.9914 -6.9914 -5.3127 -5.3127 -5.1583 -5.1583 -4.9976 -4.9976 -4.8833 -4.8833 -0.2576 -0.2576 0.9776 0.9776 4.8805 4.8805 5.9236 5.9236 6.5184 6.5184 7.0136 7.0136 7.0401 7.0401 7.4840 7.4840 7.5585 7.5585 8.7710 8.7710 8.8380 8.8380 9.5194 9.5194 9.6072 9.6072 k = 0.0000 0.1286-0.0000 ( 8635 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6147 -34.6147 -34.6130 -34.6130 -34.6107 -34.6107 -34.6034 -34.6034 -20.4451 -20.4451 -20.3745 -20.3745 -7.1927 -7.1927 -6.9951 -6.9951 -5.3121 -5.3121 -5.1639 -5.1639 -4.9973 -4.9973 -4.8884 -4.8884 -0.2342 -0.2342 0.9856 0.9856 4.9041 4.9041 5.8297 5.8297 6.5259 6.5259 6.9228 6.9228 7.0291 7.0291 7.5192 7.5192 7.5562 7.5562 8.7654 8.7654 8.8859 8.8859 9.5267 9.5267 9.6296 9.6296 k = 0.0000 0.1429-0.0000 ( 8637 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9014 -34.9014 -34.8951 -34.8951 -34.6146 -34.6146 -34.6130 -34.6130 -34.6107 -34.6107 -34.6035 -34.6035 -20.4440 -20.4440 -20.3749 -20.3749 -7.1926 -7.1926 -6.9992 -6.9992 -5.3116 -5.3116 -5.1695 -5.1695 -4.9974 -4.9974 -4.8936 -4.8936 -0.2085 -0.2085 0.9941 0.9941 4.9300 4.9300 5.7361 5.7361 6.5340 6.5340 6.8076 6.8076 7.0424 7.0424 7.4832 7.4832 7.6233 7.6233 8.7552 8.7552 8.9363 8.9363 9.4716 9.4716 9.6975 9.6975 k = 0.0000 0.1571-0.0000 ( 8637 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9013 -34.9013 -34.8952 -34.8952 -34.6145 -34.6145 -34.6129 -34.6129 -34.6107 -34.6107 -34.6037 -34.6037 -20.4429 -20.4429 -20.3753 -20.3753 -7.1924 -7.1924 -7.0037 -7.0037 -5.3113 -5.3113 -5.1751 -5.1751 -4.9981 -4.9981 -4.8988 -4.8988 -0.1804 -0.1804 1.0029 1.0029 4.9582 4.9582 5.6434 5.6434 6.5427 6.5427 6.6929 6.6929 7.0554 7.0554 7.4443 7.4443 7.6917 7.6917 8.7410 8.7410 8.9893 8.9893 9.4129 9.4129 9.7119 9.7119 k = 0.0000 0.1714-0.0000 ( 8647 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9012 -34.9012 -34.8953 -34.8953 -34.6143 -34.6143 -34.6129 -34.6129 -34.6108 -34.6108 -34.6038 -34.6038 -20.4416 -20.4416 -20.3757 -20.3757 -7.1922 -7.1922 -7.0085 -7.0085 -5.3111 -5.3111 -5.1806 -5.1806 -4.9995 -4.9995 -4.9038 -4.9038 -0.1502 -0.1502 1.0119 1.0119 4.9885 4.9885 5.5522 5.5522 6.5518 6.5518 6.5794 6.5794 7.0673 7.0673 7.4042 7.4042 7.7601 7.7601 8.7234 8.7234 9.0446 9.0446 9.3550 9.3550 9.7118 9.7118 k = 0.0000 0.1857-0.0000 ( 8647 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9012 -34.9012 -34.8953 -34.8953 -34.6142 -34.6142 -34.6129 -34.6129 -34.6108 -34.6108 -34.6040 -34.6040 -20.4403 -20.4403 -20.3762 -20.3762 -7.1920 -7.1920 -7.0136 -7.0136 -5.3112 -5.3112 -5.1859 -5.1859 -5.0015 -5.0015 -4.9086 -4.9086 -0.1179 -0.1179 1.0209 1.0209 5.0206 5.0206 5.4632 5.4632 6.4678 6.4678 6.5613 6.5613 7.0777 7.0777 7.3634 7.3634 7.8282 7.8282 8.7038 8.7038 9.1019 9.1019 9.2998 9.2998 9.7148 9.7148 k = 0.0000 0.2000-0.0000 ( 8643 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9011 -34.9011 -34.8954 -34.8954 -34.6140 -34.6140 -34.6128 -34.6128 -34.6109 -34.6109 -34.6041 -34.6041 -20.4389 -20.4389 -20.3767 -20.3767 -7.1917 -7.1917 -7.0190 -7.0190 -5.3115 -5.3115 -5.1910 -5.1910 -5.0041 -5.0041 -4.9129 -4.9129 -0.0836 -0.0836 1.0297 1.0297 5.0540 5.0540 5.3769 5.3769 6.3585 6.3585 6.5709 6.5709 7.0860 7.0860 7.3223 7.3223 7.8959 7.8959 8.6835 8.6835 9.1583 9.1583 9.2501 9.2501 9.7217 9.7217 k = 0.0000 0.2143-0.0000 ( 8643 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9010 -34.9010 -34.8955 -34.8955 -34.6139 -34.6139 -34.6128 -34.6128 -34.6109 -34.6109 -34.6043 -34.6043 -20.4374 -20.4374 -20.3773 -20.3773 -7.1913 -7.1913 -7.0246 -7.0246 -5.3120 -5.3120 -5.1960 -5.1960 -5.0071 -5.0071 -4.9170 -4.9170 -0.0475 -0.0475 1.0381 1.0381 5.0878 5.0878 5.2944 5.2944 6.2520 6.2520 6.5807 6.5807 7.0913 7.0913 7.2813 7.2813 7.9627 7.9627 8.6641 8.6641 9.1811 9.1811 9.2387 9.2387 9.7323 9.7323 k = 0.0000 0.2286-0.0000 ( 8643 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9009 -34.9009 -34.8956 -34.8956 -34.6137 -34.6137 -34.6128 -34.6128 -34.6109 -34.6109 -34.6045 -34.6045 -20.4358 -20.4358 -20.3779 -20.3779 -7.1908 -7.1908 -7.0305 -7.0305 -5.3129 -5.3129 -5.2008 -5.2008 -5.0106 -5.0106 -4.9207 -4.9207 -0.0097 -0.0097 1.0458 1.0458 5.1182 5.1182 5.2196 5.2196 6.1490 6.1490 6.5905 6.5905 7.0932 7.0932 7.2407 7.2407 8.0282 8.0282 8.6470 8.6470 9.1438 9.1438 9.2911 9.2911 9.7466 9.7466 k = 0.0000 0.2429-0.0000 ( 8629 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9008 -34.9008 -34.8957 -34.8957 -34.6135 -34.6135 -34.6127 -34.6127 -34.6110 -34.6110 -34.6047 -34.6047 -20.4342 -20.4342 -20.3786 -20.3786 -7.1903 -7.1903 -7.0366 -7.0366 -5.3139 -5.3139 -5.2054 -5.2054 -5.0141 -5.0141 -4.9241 -4.9241 0.0296 0.0296 1.0527 1.0527 5.1119 5.1119 5.1852 5.1852 6.0503 6.0503 6.6001 6.6001 7.0909 7.0909 7.2008 7.2008 8.0920 8.0920 8.6338 8.6338 9.1039 9.1039 9.3482 9.3482 9.7645 9.7645 k = 0.0000 0.2571-0.0000 ( 8631 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9006 -34.9006 -34.8958 -34.8958 -34.6133 -34.6133 -34.6127 -34.6127 -34.6110 -34.6110 -34.6049 -34.6049 -20.4325 -20.4325 -20.3793 -20.3793 -7.1896 -7.1896 -7.0429 -7.0429 -5.3151 -5.3151 -5.2100 -5.2100 -5.0176 -5.0176 -4.9273 -4.9273 0.0704 0.0704 1.0586 1.0586 5.0505 5.0505 5.2091 5.2091 5.9571 5.9571 6.6096 6.6096 7.0838 7.0838 7.1619 7.1619 8.1534 8.1534 8.6256 8.6256 9.0679 9.0679 9.4006 9.4006 9.7858 9.7858 k = 0.0000 0.2714-0.0000 ( 8631 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9005 -34.9005 -34.8960 -34.8960 -34.6131 -34.6131 -34.6126 -34.6126 -34.6111 -34.6111 -34.6051 -34.6051 -20.4307 -20.4307 -20.3801 -20.3801 -7.1888 -7.1888 -7.0493 -7.0493 -5.3165 -5.3165 -5.2147 -5.2147 -5.0209 -5.0209 -4.9303 -4.9303 0.1124 0.1124 1.0631 1.0631 4.9839 4.9839 5.2397 5.2397 5.8714 5.8714 6.6187 6.6187 7.0715 7.0715 7.1241 7.1241 8.2119 8.2119 8.6233 8.6233 9.0366 9.0366 9.4428 9.4428 9.8090 9.8090 k = 0.0000 0.2857-0.0000 ( 8639 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9004 -34.9004 -34.8961 -34.8961 -34.6129 -34.6129 -34.6126 -34.6126 -34.6111 -34.6111 -34.6053 -34.6053 -20.4289 -20.4289 -20.3810 -20.3810 -7.1878 -7.1878 -7.0559 -7.0559 -5.3178 -5.3178 -5.2194 -5.2194 -5.0237 -5.0237 -4.9333 -4.9333 0.1555 0.1555 1.0661 1.0661 4.9205 4.9205 5.2659 5.2659 5.7964 5.7964 6.6275 6.6275 7.0536 7.0536 7.0878 7.0878 8.2670 8.2670 8.6275 8.6275 9.0105 9.0105 9.4687 9.4687 9.8278 9.8278 k = 0.0000 0.3000-0.0000 ( 8635 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9003 -34.9003 -34.8962 -34.8962 -34.6127 -34.6127 -34.6125 -34.6125 -34.6112 -34.6112 -34.6055 -34.6055 -20.4271 -20.4271 -20.3819 -20.3819 -7.1867 -7.1867 -7.0625 -7.0625 -5.3192 -5.3192 -5.2243 -5.2243 -5.0260 -5.0260 -4.9364 -4.9364 0.1996 0.1996 1.0672 1.0672 4.8615 4.8615 5.2816 5.2816 5.7373 5.7373 6.6359 6.6359 7.0299 7.0299 7.0532 7.0532 8.3189 8.3189 8.6380 8.6380 8.9898 8.9898 9.4740 9.4740 9.8405 9.8405 k = 0.0000 0.3143-0.0000 ( 8637 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9001 -34.9001 -34.8963 -34.8963 -34.6125 -34.6125 -34.6125 -34.6125 -34.6112 -34.6112 -34.6058 -34.6058 -20.4252 -20.4252 -20.3829 -20.3829 -7.1855 -7.1855 -7.0692 -7.0692 -5.3205 -5.3205 -5.2295 -5.2295 -5.0275 -5.0275 -4.9395 -4.9395 0.2445 0.2445 1.0664 1.0664 4.8076 4.8076 5.2798 5.2798 5.7008 5.7008 6.6437 6.6437 7.0010 7.0010 7.0197 7.0197 8.3678 8.3678 8.6544 8.6544 8.9747 8.9747 9.4601 9.4601 9.8529 9.8529 k = 0.0000 0.3286-0.0000 ( 8645 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9000 -34.9000 -34.8965 -34.8965 -34.6125 -34.6125 -34.6123 -34.6123 -34.6113 -34.6113 -34.6060 -34.6060 -20.4234 -20.4234 -20.3839 -20.3839 -7.1840 -7.1840 -7.0759 -7.0759 -5.3215 -5.3215 -5.2349 -5.2349 -5.0283 -5.0283 -4.9427 -4.9427 0.2901 0.2901 1.0633 1.0633 4.7591 4.7591 5.2564 5.2564 5.6911 5.6911 6.6511 6.6511 6.9677 6.9677 6.9870 6.9870 8.4147 8.4147 8.6754 8.6754 8.9654 8.9654 9.4322 9.4322 9.8595 9.8595 k = 0.0000 0.3429-0.0000 ( 8647 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.8999 -34.8999 -34.8966 -34.8966 -34.6124 -34.6124 -34.6120 -34.6120 -34.6113 -34.6113 -34.6062 -34.6062 -20.4215 -20.4215 -20.3850 -20.3850 -7.1823 -7.1823 -7.0825 -7.0825 -5.3224 -5.3224 -5.2406 -5.2406 -5.0284 -5.0284 -4.9460 -4.9460 0.3361 0.3361 1.0579 1.0579 4.7163 4.7163 5.2142 5.2142 5.7053 5.7053 6.6581 6.6581 6.9298 6.9298 6.9557 6.9557 8.4605 8.4605 8.6997 8.6997 8.9619 8.9619 9.3960 9.3960 9.8522 9.8522 k = 0.0000 0.3571-0.0000 ( 8640 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8998 -34.8998 -34.8967 -34.8967 -34.6124 -34.6124 -34.6118 -34.6118 -34.6113 -34.6113 -34.6065 -34.6065 -20.4195 -20.4195 -20.3861 -20.3861 -7.1804 -7.1804 -7.0892 -7.0892 -5.3229 -5.3229 -5.2465 -5.2465 -5.0277 -5.0277 -4.9495 -4.9495 0.3823 0.3823 1.0498 1.0498 4.6794 4.6794 5.1603 5.1603 5.7364 5.7364 6.6646 6.6646 6.8871 6.8871 6.9265 6.9265 8.5063 8.5063 8.7263 8.7263 8.9641 8.9641 9.3551 9.3551 9.8266 9.8266 k = 0.0000 0.3714-0.0000 ( 8642 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8996 -34.8996 -34.8969 -34.8969 -34.6124 -34.6124 -34.6115 -34.6115 -34.6114 -34.6114 -34.6067 -34.6067 -20.4176 -20.4176 -20.3873 -20.3873 -7.1783 -7.1783 -7.0958 -7.0958 -5.3230 -5.3230 -5.2526 -5.2526 -5.0263 -5.0263 -4.9532 -4.9532 0.4287 0.4287 1.0390 1.0390 4.6487 4.6487 5.1008 5.1008 5.7783 5.7783 6.6707 6.6707 6.8401 6.8401 6.8994 6.8994 8.5529 8.5529 8.7543 8.7543 8.9721 8.9721 9.3122 9.3122 9.7838 9.7838 k = 0.0000 0.3857-0.0000 ( 8646 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8995 -34.8995 -34.8970 -34.8970 -34.6123 -34.6123 -34.6115 -34.6115 -34.6113 -34.6113 -34.6070 -34.6070 -20.4157 -20.4157 -20.3886 -20.3886 -7.1760 -7.1760 -7.1022 -7.1022 -5.3227 -5.3227 -5.2587 -5.2587 -5.0242 -5.0242 -4.9571 -4.9571 0.4749 0.4749 1.0254 1.0254 4.6244 4.6244 5.0398 5.0398 5.8270 5.8270 6.6763 6.6763 6.7898 6.7898 6.8744 6.8744 8.6006 8.6006 8.7833 8.7833 8.9858 8.9858 9.2688 9.2688 9.7280 9.7280 k = 0.0000 0.4000-0.0000 ( 8642 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8993 -34.8993 -34.8972 -34.8972 -34.6123 -34.6123 -34.6115 -34.6115 -34.6110 -34.6110 -34.6072 -34.6072 -20.4137 -20.4137 -20.3899 -20.3899 -7.1734 -7.1734 -7.1086 -7.1086 -5.3220 -5.3220 -5.2650 -5.2650 -5.0215 -5.0215 -4.9611 -4.9611 0.5208 0.5208 1.0089 1.0089 4.6064 4.6064 4.9796 4.9796 5.8803 5.8803 6.6806 6.6806 6.7376 6.7376 6.8513 6.8513 8.6493 8.6493 8.8136 8.8136 9.0048 9.0048 9.2260 9.2260 9.6634 9.6634 k = 0.0000 0.4143-0.0000 ( 8648 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8992 -34.8992 -34.8973 -34.8973 -34.6122 -34.6122 -34.6116 -34.6116 -34.6108 -34.6108 -34.6075 -34.6075 -20.4118 -20.4118 -20.3913 -20.3913 -7.1705 -7.1705 -7.1147 -7.1147 -5.3208 -5.3208 -5.2711 -5.2711 -5.0184 -5.0184 -4.9653 -4.9653 0.5662 0.5662 0.9895 0.9895 4.5949 4.5949 4.9216 4.9216 5.9367 5.9367 6.6687 6.6687 6.6991 6.6991 6.8301 6.8301 8.6985 8.6985 8.8461 8.8461 9.0286 9.0286 9.1847 9.1847 9.5933 9.5933 k = 0.0000 0.4286-0.0000 ( 8638 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8990 -34.8990 -34.8975 -34.8975 -34.6122 -34.6122 -34.6116 -34.6116 -34.6105 -34.6105 -34.6078 -34.6078 -20.4099 -20.4099 -20.3928 -20.3928 -7.1673 -7.1673 -7.1207 -7.1207 -5.3192 -5.3192 -5.2772 -5.2772 -5.0148 -5.0148 -4.9697 -4.9697 0.6108 0.6108 0.9671 0.9671 4.5898 4.5898 4.8668 4.8668 5.9955 5.9955 6.6163 6.6163 6.6991 6.6991 6.8108 6.8108 8.7470 8.7470 8.8820 8.8820 9.0556 9.0556 9.1470 9.1470 9.5203 9.5203 k = 0.0000 0.4429-0.0000 ( 8644 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8989 -34.8989 -34.8976 -34.8976 -34.6121 -34.6121 -34.6117 -34.6117 -34.6103 -34.6103 -34.6080 -34.6080 -20.4080 -20.4080 -20.3943 -20.3943 -7.1639 -7.1639 -7.1265 -7.1265 -5.3170 -5.3170 -5.2830 -5.2830 -5.0108 -5.0108 -4.9742 -4.9742 0.6545 0.6545 0.9419 0.9419 4.5912 4.5912 4.8158 4.8158 6.0559 6.0559 6.5570 6.5570 6.7049 6.7049 6.7932 6.7932 8.7931 8.7931 8.9229 8.9229 9.0737 9.0737 9.1251 9.1251 9.4461 9.4461 k = 0.0000 0.4571-0.0000 ( 8630 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8987 -34.8987 -34.8978 -34.8978 -34.6120 -34.6120 -34.6117 -34.6117 -34.6100 -34.6100 -34.6083 -34.6083 -20.4062 -20.4062 -20.3958 -20.3958 -7.1602 -7.1602 -7.1321 -7.1321 -5.3143 -5.3143 -5.2886 -5.2886 -5.0066 -5.0066 -4.9788 -4.9788 0.6970 0.6970 0.9140 0.9140 4.5989 4.5989 4.7691 4.7691 6.1176 6.1176 6.4957 6.4957 6.7119 6.7119 6.7773 6.7773 8.8357 8.8357 8.9694 8.9694 9.0548 9.0548 9.1477 9.1477 9.3719 9.3719 k = 0.0000 0.4714-0.0000 ( 8624 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8985 -34.8985 -34.8979 -34.8979 -34.6120 -34.6120 -34.6118 -34.6118 -34.6097 -34.6097 -34.6086 -34.6086 -20.4044 -20.4044 -20.3975 -20.3975 -7.1562 -7.1562 -7.1375 -7.1375 -5.3112 -5.3112 -5.2939 -5.2939 -5.0021 -5.0021 -4.9834 -4.9834 0.7380 0.7380 0.8833 0.8833 4.6129 4.6129 4.7271 4.7271 6.1802 6.1802 6.4333 6.4333 6.7199 6.7199 6.7631 6.7631 8.8747 8.8747 9.0046 9.0046 9.0411 9.0411 9.1891 9.1891 9.2992 9.2992 k = 0.0000 0.4857-0.0000 ( 8614 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8984 -34.8984 -34.8981 -34.8981 -34.6119 -34.6119 -34.6118 -34.6118 -34.6094 -34.6094 -34.6089 -34.6089 -20.4026 -20.4026 -20.3991 -20.3991 -7.1519 -7.1519 -7.1426 -7.1426 -5.3075 -5.3075 -5.2989 -5.2989 -4.9976 -4.9976 -4.9882 -4.9882 0.7774 0.7774 0.8503 0.8503 4.6329 4.6329 4.6902 4.6902 6.2434 6.2434 6.3702 6.3702 6.7289 6.7289 6.7503 6.7503 8.9111 8.9111 8.9796 8.9796 9.0922 9.0922 9.2190 9.2190 9.2466 9.2466 k = 0.0000 0.5000-0.0000 ( 8602 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1474 -7.1474 -7.1474 -7.1474 -5.3034 -5.3034 -5.3034 -5.3034 -4.9929 -4.9929 -4.9929 -4.9929 0.8149 0.8149 0.8149 0.8149 4.6587 4.6587 4.6587 4.6587 6.3068 6.3068 6.3068 6.3068 6.7390 6.7390 6.7390 6.7390 8.9459 8.9459 8.9459 8.9459 9.1562 9.1562 9.1562 9.1562 9.2948 9.2948 k = 0.0000 0.5000-0.0000 ( 8602 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1474 -7.1474 -7.1474 -7.1474 -5.3034 -5.3034 -5.3034 -5.3034 -4.9929 -4.9929 -4.9929 -4.9929 0.8149 0.8149 0.8149 0.8149 4.6587 4.6587 4.6587 4.6587 6.3068 6.3068 6.3068 6.3068 6.7390 6.7390 6.7390 6.7390 8.9459 8.9459 8.9459 8.9459 9.1562 9.1562 9.1562 9.1562 9.2948 9.2948 k = 0.0143 0.5000-0.0000 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1475 -7.1475 -7.1473 -7.1473 -5.3081 -5.3081 -5.2987 -5.2987 -4.9982 -4.9982 -4.9882 -4.9882 0.8150 0.8150 0.8150 0.8150 4.6564 4.6564 4.6624 4.6624 6.3016 6.3016 6.3033 6.3033 6.7408 6.7408 6.7423 6.7423 8.9363 8.9363 8.9498 8.9498 9.0958 9.0958 9.1158 9.1158 9.3485 9.3485 k = 0.0286 0.5000-0.0000 ( 8626 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4007 -20.4007 -20.4007 -20.4007 -7.1478 -7.1478 -7.1473 -7.1473 -5.3126 -5.3126 -5.2938 -5.2938 -5.0041 -5.0041 -4.9841 -4.9841 0.8153 0.8153 0.8154 0.8154 4.6552 4.6552 4.6672 4.6672 6.2882 6.2882 6.2916 6.2916 6.7472 6.7472 6.7503 6.7503 8.9106 8.9106 8.9390 8.9390 9.0219 9.0219 9.0537 9.0537 9.4509 9.4509 k = 0.0429 0.5000-0.0000 ( 8618 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6120 -34.6120 -34.6120 -34.6120 -34.6090 -34.6090 -34.6090 -34.6090 -20.4006 -20.4006 -20.4006 -20.4006 -7.1481 -7.1481 -7.1474 -7.1474 -5.3170 -5.3170 -5.2888 -5.2888 -5.0106 -5.0106 -4.9807 -4.9807 0.8158 0.8158 0.8159 0.8159 4.6552 4.6552 4.6731 4.6731 6.2679 6.2679 6.2729 6.2729 6.7570 6.7570 6.7617 6.7617 8.8535 8.8535 8.8778 8.8778 8.9999 8.9999 9.0240 9.0240 9.5633 9.5634 k = 0.0571 0.5000-0.0000 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6121 -34.6121 -34.6121 -34.6121 -34.6089 -34.6089 -34.6089 -34.6089 -20.4005 -20.4005 -20.4005 -20.4005 -7.1485 -7.1485 -7.1476 -7.1476 -5.3213 -5.3213 -5.2837 -5.2837 -5.0176 -5.0176 -4.9778 -4.9778 0.8166 0.8166 0.8167 0.8167 4.6562 4.6562 4.6799 4.6799 6.2426 6.2426 6.2491 6.2491 6.7684 6.7684 6.7749 6.7749 8.7763 8.7763 8.7927 8.7927 9.0077 9.0077 9.0206 9.0206 9.6802 9.6802 k = 0.0714 0.5000-0.0000 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6122 -34.6122 -34.6122 -34.6122 -34.6089 -34.6089 -34.6088 -34.6088 -20.4003 -20.4003 -20.4003 -20.4003 -7.1490 -7.1490 -7.1479 -7.1479 -5.3254 -5.3254 -5.2786 -5.2786 -5.0252 -5.0252 -4.9756 -4.9756 0.8176 0.8176 0.8177 0.8177 4.6580 4.6580 4.6873 4.6873 6.2139 6.2139 6.2219 6.2219 6.7800 6.7800 6.7883 6.7883 8.6950 8.6950 8.7074 8.7074 9.0229 9.0229 9.0289 9.0289 9.7998 9.7999 k = 0.0857 0.5000-0.0000 ( 8628 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6123 -34.6123 -34.6123 -34.6123 -34.6087 -34.6087 -34.6087 -34.6087 -20.4001 -20.4001 -20.4001 -20.4001 -7.1496 -7.1496 -7.1483 -7.1483 -5.3293 -5.3293 -5.2734 -5.2734 -5.0332 -5.0332 -4.9740 -4.9740 0.8188 0.8188 0.8189 0.8189 4.6603 4.6603 4.6951 4.6951 6.1834 6.1834 6.1929 6.1929 6.7903 6.7903 6.8004 6.8004 8.6159 8.6159 8.6260 8.6260 9.0417 9.0417 9.0430 9.0430 9.9214 9.9214 k = 0.1000 0.5000-0.0000 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6124 -34.6124 -34.6124 -34.6124 -34.6086 -34.6086 -34.6086 -34.6086 -20.3998 -20.3998 -20.3998 -20.3998 -7.1503 -7.1503 -7.1487 -7.1487 -5.3331 -5.3331 -5.2681 -5.2681 -5.0417 -5.0417 -4.9730 -4.9730 0.8202 0.8202 0.8203 0.8203 4.6628 4.6628 4.7028 4.7028 6.1527 6.1527 6.1634 6.1634 6.7982 6.7982 6.8102 6.8102 8.5412 8.5412 8.5501 8.5501 9.0607 9.0607 9.0628 9.0628 10.0440 10.0440 k = 0.1143 0.5000-0.0000 ( 8628 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6126 -34.6126 -34.6125 -34.6125 -34.6085 -34.6085 -34.6084 -34.6084 -20.3995 -20.3995 -20.3995 -20.3995 -7.1510 -7.1510 -7.1493 -7.1493 -5.3367 -5.3367 -5.2627 -5.2627 -5.0506 -5.0506 -4.9725 -4.9725 0.8217 0.8217 0.8219 0.8219 4.6651 4.6651 4.7102 4.7102 6.1227 6.1227 6.1347 6.1347 6.8029 6.8029 6.8167 6.8167 8.4724 8.4724 8.4804 8.4804 9.0806 9.0806 9.0856 9.0856 10.1669 10.1669 k = 0.1286 0.5000-0.0000 ( 8630 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6127 -34.6127 -34.6127 -34.6127 -34.6083 -34.6083 -34.6083 -34.6083 -20.3992 -20.3992 -20.3992 -20.3992 -7.1518 -7.1518 -7.1499 -7.1499 -5.3401 -5.3401 -5.2573 -5.2573 -5.0599 -5.0599 -4.9725 -4.9725 0.8235 0.8235 0.8236 0.8236 4.6670 4.6670 4.7166 4.7166 6.0947 6.0947 6.1076 6.1076 6.8036 6.8036 6.8192 6.8192 8.4101 8.4101 8.4175 8.4175 9.1020 9.1020 9.1094 9.1094 10.2893 10.2893 k = 0.1429 0.5000-0.0000 ( 8626 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6128 -34.6128 -34.6128 -34.6128 -34.6082 -34.6082 -34.6082 -34.6082 -20.3989 -20.3989 -20.3989 -20.3989 -7.1527 -7.1527 -7.1506 -7.1506 -5.3433 -5.3433 -5.2519 -5.2519 -5.0695 -5.0695 -4.9731 -4.9731 0.8254 0.8254 0.8255 0.8255 4.6679 4.6679 4.7216 4.7216 6.0695 6.0695 6.0830 6.0830 6.7999 6.7999 6.8172 6.8172 8.3549 8.3549 8.3618 8.3618 9.1241 9.1241 9.1335 9.1335 10.4100 10.4100 k = 0.1571 0.5000-0.0000 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6130 -34.6130 -34.6129 -34.6129 -34.6081 -34.6081 -34.6080 -34.6080 -20.3985 -20.3985 -20.3985 -20.3985 -7.1536 -7.1536 -7.1514 -7.1514 -5.3463 -5.3463 -5.2465 -5.2465 -5.0793 -5.0793 -4.9742 -4.9742 0.8274 0.8274 0.8275 0.8275 4.6677 4.6677 4.7249 4.7249 6.0477 6.0477 6.0617 6.0617 6.7916 6.7916 6.8105 6.8105 8.3070 8.3070 8.3138 8.3138 9.1462 9.1462 9.1573 9.1573 10.5277 10.5277 k = 0.1714 0.5000-0.0000 ( 8626 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6131 -34.6131 -34.6131 -34.6131 -34.6079 -34.6079 -34.6079 -34.6079 -20.3981 -20.3981 -20.3981 -20.3981 -7.1546 -7.1546 -7.1523 -7.1523 -5.3491 -5.3491 -5.2411 -5.2411 -5.0893 -5.0893 -4.9758 -4.9758 0.8296 0.8296 0.8297 0.8297 4.6658 4.6658 4.7260 4.7260 6.0301 6.0301 6.0441 6.0441 6.7785 6.7785 6.7989 6.7989 8.2668 8.2668 8.2733 8.2733 9.1676 9.1676 9.1802 9.1802 10.6410 10.6410 k = 0.1857 0.5000-0.0000 ( 8638 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6133 -34.6133 -34.6132 -34.6132 -34.6078 -34.6078 -34.6077 -34.6077 -20.3977 -20.3977 -20.3977 -20.3977 -7.1557 -7.1557 -7.1533 -7.1533 -5.3516 -5.3516 -5.2357 -5.2357 -5.0993 -5.0993 -4.9777 -4.9777 0.8318 0.8318 0.8319 0.8319 4.6622 4.6622 4.7245 4.7245 6.0170 6.0170 6.0306 6.0306 6.7610 6.7610 6.7825 6.7825 8.2340 8.2340 8.2406 8.2406 9.1879 9.1879 9.2019 9.2019 10.7483 10.7483 k = 0.2000 0.5000-0.0000 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6134 -34.6134 -34.6134 -34.6134 -34.6076 -34.6076 -34.6076 -34.6076 -20.3972 -20.3972 -20.3972 -20.3972 -7.1568 -7.1568 -7.1543 -7.1543 -5.3538 -5.3538 -5.2305 -5.2305 -5.1093 -5.1093 -4.9801 -4.9801 0.8342 0.8342 0.8342 0.8342 4.6566 4.6566 4.7203 4.7203 6.0087 6.0087 6.0215 6.0215 6.7392 6.7392 6.7617 6.7617 8.2087 8.2087 8.2154 8.2154 9.2064 9.2064 9.2217 9.2217 10.8482 10.8482 k = 0.2143 0.5000-0.0000 ( 8628 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6136 -34.6136 -34.6135 -34.6135 -34.6075 -34.6075 -34.6074 -34.6074 -20.3968 -20.3968 -20.3968 -20.3968 -7.1579 -7.1579 -7.1554 -7.1554 -5.3558 -5.3558 -5.2255 -5.2255 -5.1192 -5.1192 -4.9829 -4.9829 0.8366 0.8366 0.8366 0.8366 4.6489 4.6489 4.7134 4.7134 6.0052 6.0052 6.0168 6.0168 6.7138 6.7138 6.7368 6.7368 8.1904 8.1904 8.1973 8.1973 9.2228 9.2228 9.2393 9.2393 10.9397 10.9397 k = 0.2286 0.5000-0.0000 ( 8642 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6137 -34.6137 -34.6137 -34.6137 -34.6074 -34.6074 -34.6073 -34.6073 -20.3963 -20.3963 -20.3963 -20.3963 -7.1591 -7.1591 -7.1565 -7.1565 -5.3574 -5.3574 -5.2208 -5.2208 -5.1287 -5.1287 -4.9860 -4.9860 0.8390 0.8390 0.8390 0.8390 4.6392 4.6392 4.7037 4.7037 6.0064 6.0064 6.0165 6.0165 6.6852 6.6852 6.7085 6.7085 8.1787 8.1787 8.1858 8.1858 9.2365 9.2365 9.2542 9.2542 11.0229 11.0229 k = 0.2429 0.5000-0.0000 ( 8638 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6138 -34.6138 -34.6138 -34.6138 -34.6072 -34.6072 -34.6072 -34.6072 -20.3959 -20.3959 -20.3959 -20.3959 -7.1603 -7.1603 -7.1577 -7.1577 -5.3588 -5.3588 -5.2168 -5.2168 -5.1376 -5.1376 -4.9895 -4.9895 0.8415 0.8415 0.8415 0.8415 4.6277 4.6277 4.6914 4.6914 6.0120 6.0120 6.0203 6.0203 6.6541 6.6541 6.6775 6.6775 8.1733 8.1733 8.1806 8.1806 9.2472 9.2472 9.2660 9.2660 11.0982 11.0982 k = 0.2571 0.5000-0.0000 ( 8634 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6139 -34.6139 -34.6139 -34.6139 -34.6071 -34.6071 -34.6071 -34.6071 -20.3954 -20.3954 -20.3954 -20.3954 -7.1616 -7.1616 -7.1590 -7.1590 -5.3598 -5.3598 -5.2137 -5.2137 -5.1455 -5.1455 -4.9932 -4.9932 0.8439 0.8439 0.8440 0.8440 4.6145 4.6145 4.6768 4.6768 6.0215 6.0215 6.0278 6.0278 6.6213 6.6213 6.6445 6.6445 8.1735 8.1735 8.1810 8.1810 9.2545 9.2545 9.2744 9.2744 11.1668 11.1668 k = 0.2714 0.5000-0.0000 ( 8646 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8983 -34.8983 -34.6141 -34.6141 -34.6140 -34.6140 -34.6070 -34.6070 -34.6070 -34.6070 -20.3949 -20.3949 -20.3949 -20.3949 -7.1628 -7.1628 -7.1603 -7.1603 -5.3605 -5.3605 -5.2120 -5.2120 -5.1518 -5.1518 -4.9972 -4.9972 0.8463 0.8463 0.8465 0.8465 4.6000 4.6000 4.6604 4.6604 6.0344 6.0344 6.0386 6.0386 6.5875 6.5875 6.6101 6.6101 8.1788 8.1788 8.1865 8.1865 9.2580 9.2580 9.2791 9.2791 11.2297 11.2297 k = 0.2857 0.5000-0.0000 ( 8646 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6142 -34.6142 -34.6142 -34.6142 -34.6069 -34.6069 -34.6068 -34.6068 -20.3945 -20.3945 -20.3945 -20.3945 -7.1640 -7.1640 -7.1615 -7.1615 -5.3609 -5.3609 -5.2126 -5.2126 -5.1557 -5.1557 -5.0015 -5.0015 0.8487 0.8487 0.8489 0.8489 4.5844 4.5844 4.6425 4.6425 6.0499 6.0499 6.0523 6.0523 6.5532 6.5532 6.5750 6.5750 8.1889 8.1889 8.1966 8.1966 9.2576 9.2576 9.2797 9.2797 11.2878 11.2878 k = 0.3000 0.5000-0.0000 ( 8638 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6143 -34.6143 -34.6143 -34.6143 -34.6068 -34.6068 -34.6067 -34.6067 -20.3940 -20.3940 -20.3940 -20.3940 -7.1653 -7.1653 -7.1628 -7.1628 -5.3608 -5.3608 -5.2156 -5.2156 -5.1571 -5.1571 -5.0060 -5.0060 0.8511 0.8511 0.8513 0.8513 4.5682 4.5682 4.6235 4.6235 6.0675 6.0675 6.0681 6.0681 6.5192 6.5192 6.5400 6.5400 8.2032 8.2032 8.2108 8.2108 9.2530 9.2530 9.2761 9.2761 11.3418 11.3418 k = 0.3143 0.5000-0.0000 ( 8634 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6144 -34.6144 -34.6143 -34.6143 -34.6067 -34.6067 -34.6066 -34.6066 -20.3936 -20.3936 -20.3936 -20.3936 -7.1665 -7.1665 -7.1641 -7.1641 -5.3605 -5.3605 -5.2208 -5.2208 -5.1560 -5.1560 -5.0107 -5.0107 0.8533 0.8533 0.8535 0.8535 4.5516 4.5516 4.6039 4.6039 6.0855 6.0855 6.0864 6.0864 6.4860 6.4860 6.5055 6.5055 8.2214 8.2214 8.2287 8.2287 9.2440 9.2440 9.2680 9.2680 11.3925 11.3925 k = 0.3286 0.5000-0.0000 ( 8638 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6145 -34.6145 -34.6144 -34.6144 -34.6066 -34.6066 -34.6065 -34.6065 -20.3932 -20.3932 -20.3932 -20.3932 -7.1676 -7.1676 -7.1654 -7.1654 -5.3597 -5.3597 -5.2276 -5.2276 -5.1531 -5.1531 -5.0156 -5.0156 0.8555 0.8555 0.8557 0.8557 4.5351 4.5351 4.5841 4.5841 6.1039 6.1039 6.1060 6.1060 6.4542 6.4542 6.4720 6.4720 8.2431 8.2431 8.2499 8.2499 9.2307 9.2307 9.2554 9.2554 11.4405 11.4405 k = 0.3429 0.5000-0.0000 ( 8646 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6146 -34.6146 -34.6145 -34.6145 -34.6065 -34.6065 -34.6065 -34.6065 -20.3928 -20.3928 -20.3928 -20.3928 -7.1688 -7.1688 -7.1666 -7.1666 -5.3585 -5.3585 -5.2353 -5.2353 -5.1490 -5.1490 -5.0207 -5.0207 0.8576 0.8576 0.8578 0.8578 4.5190 4.5190 4.5644 4.5644 6.1227 6.1227 6.1254 6.1254 6.4242 6.4242 6.4402 6.4402 8.2680 8.2680 8.2741 8.2741 9.2131 9.2131 9.2382 9.2382 11.4864 11.4864 k = 0.3571 0.5000-0.0000 ( 8634 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6146 -34.6146 -34.6146 -34.6146 -34.6064 -34.6064 -34.6064 -34.6064 -20.3924 -20.3924 -20.3924 -20.3924 -7.1698 -7.1698 -7.1678 -7.1678 -5.3569 -5.3569 -5.2434 -5.2434 -5.1442 -5.1442 -5.0260 -5.0260 0.8595 0.8595 0.8598 0.8598 4.5035 4.5035 4.5452 4.5452 6.1413 6.1413 6.1441 6.1441 6.3965 6.3965 6.4104 6.4104 8.2958 8.2958 8.3009 8.3009 9.1913 9.1913 9.2168 9.2168 11.5309 11.5309 k = 0.3714 0.5000-0.0000 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6147 -34.6147 -34.6147 -34.6147 -34.6063 -34.6063 -34.6063 -34.6063 -20.3921 -20.3921 -20.3920 -20.3920 -7.1708 -7.1708 -7.1690 -7.1690 -5.3550 -5.3550 -5.2518 -5.2518 -5.1389 -5.1389 -5.0314 -5.0314 0.8613 0.8613 0.8616 0.8616 4.4890 4.4890 4.5269 4.5269 6.1590 6.1590 6.1614 6.1614 6.3717 6.3717 6.3830 6.3830 8.3261 8.3261 8.3301 8.3301 9.1658 9.1658 9.1912 9.1912 11.5746 11.5746 k = 0.3857 0.5000-0.0000 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6148 -34.6148 -34.6148 -34.6148 -34.6063 -34.6063 -34.6062 -34.6062 -20.3917 -20.3917 -20.3917 -20.3917 -7.1717 -7.1717 -7.1701 -7.1701 -5.3526 -5.3526 -5.2602 -5.2602 -5.1333 -5.1333 -5.0369 -5.0369 0.8630 0.8630 0.8632 0.8632 4.4756 4.4756 4.5096 4.5096 6.1752 6.1752 6.1765 6.1765 6.3503 6.3503 6.3587 6.3587 8.3585 8.3585 8.3613 8.3613 9.1371 9.1371 9.1621 9.1621 11.6179 11.6179 k = 0.4000 0.5000-0.0000 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6148 -34.6148 -34.6148 -34.6148 -34.6062 -34.6062 -34.6062 -34.6062 -20.3914 -20.3914 -20.3914 -20.3914 -7.1725 -7.1725 -7.1711 -7.1711 -5.3498 -5.3498 -5.2684 -5.2684 -5.1274 -5.1274 -5.0426 -5.0426 0.8645 0.8645 0.8647 0.8647 4.4636 4.4636 4.4936 4.4936 6.1887 6.1887 6.1891 6.1891 6.3329 6.3329 6.3380 6.3380 8.3926 8.3926 8.3940 8.3940 9.1057 9.1057 9.1299 9.1299 11.6609 11.6609 k = 0.4143 0.5000-0.0000 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6149 -34.6149 -34.6149 -34.6149 -34.6061 -34.6061 -34.6061 -34.6061 -20.3912 -20.3912 -20.3912 -20.3912 -7.1732 -7.1732 -7.1720 -7.1720 -5.3465 -5.3465 -5.2765 -5.2765 -5.1214 -5.1214 -5.0483 -5.0483 0.8658 0.8658 0.8660 0.8660 4.4532 4.4532 4.4790 4.4790 6.1973 6.1973 6.1998 6.1998 6.3200 6.3200 6.3216 6.3216 8.4277 8.4277 8.4277 8.4277 9.0725 9.0725 9.0955 9.0955 11.7035 11.7035 k = 0.4286 0.5000-0.0000 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6149 -34.6149 -34.6149 -34.6149 -34.6061 -34.6061 -34.6061 -34.6061 -20.3910 -20.3910 -20.3910 -20.3910 -7.1738 -7.1738 -7.1728 -7.1728 -5.3429 -5.3429 -5.2843 -5.2843 -5.1154 -5.1154 -5.0541 -5.0541 0.8669 0.8669 0.8671 0.8671 4.4445 4.4445 4.4661 4.4661 6.2021 6.2021 6.2067 6.2067 6.3102 6.3102 6.3117 6.3117 8.4617 8.4617 8.4631 8.4631 9.0387 9.0387 9.0599 9.0599 11.7450 11.7450 k = 0.4429 0.5000-0.0000 ( 8618 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6149 -34.6149 -34.6060 -34.6060 -34.6060 -34.6060 -20.3908 -20.3908 -20.3908 -20.3908 -7.1743 -7.1743 -7.1734 -7.1734 -5.3388 -5.3388 -5.2918 -5.2918 -5.1092 -5.1092 -5.0601 -5.0601 0.8679 0.8679 0.8680 0.8680 4.4377 4.4377 4.4550 4.4550 6.2036 6.2036 6.2093 6.2093 6.3040 6.3040 6.3075 6.3075 8.4949 8.4949 8.4974 8.4974 9.0056 9.0056 9.0245 9.0245 11.7842 11.7842 k = 0.4571 0.5000-0.0000 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3906 -20.3906 -20.3906 -20.3906 -7.1747 -7.1747 -7.1740 -7.1740 -5.3343 -5.3343 -5.2990 -5.2990 -5.1030 -5.1030 -5.0661 -5.0661 0.8686 0.8686 0.8688 0.8688 4.4327 4.4327 4.4458 4.4458 6.2031 6.2031 6.2086 6.2086 6.3020 6.3020 6.3060 6.3060 8.5258 8.5258 8.5290 8.5290 8.9753 8.9753 8.9910 8.9910 11.8196 11.8196 k = 0.4714 0.5000-0.0000 ( 8608 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3905 -20.3905 -7.1749 -7.1749 -7.1745 -7.1745 -5.3294 -5.3294 -5.3058 -5.3058 -5.0968 -5.0968 -5.0722 -5.0722 0.8692 0.8692 0.8693 0.8693 4.4298 4.4298 4.4385 4.4385 6.2020 6.2020 6.2061 6.2061 6.3024 6.3024 6.3057 6.3057 8.5521 8.5521 8.5551 8.5551 8.9505 8.9505 8.9620 8.9620 11.8493 11.8495 k = 0.4857 0.5000-0.0000 ( 8604 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3905 -20.3905 -7.1750 -7.1750 -7.1748 -7.1748 -5.3241 -5.3241 -5.3123 -5.3123 -5.0906 -5.0906 -5.0783 -5.0783 0.8695 0.8695 0.8696 0.8696 4.4288 4.4288 4.4332 4.4332 6.2014 6.2014 6.2036 6.2036 6.3038 6.3038 6.3055 6.3055 8.5706 8.5706 8.5725 8.5725 8.9347 8.9347 8.9410 8.9410 11.8714 11.8730 k = 0.5000 0.5000-0.0000 ( 8600 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3184 -5.3184 -5.3184 -5.3184 -5.0844 -5.0844 -5.0844 -5.0844 0.8696 0.8696 0.8696 0.8696 4.4300 4.4300 4.4300 4.4300 6.2019 6.2019 6.2019 6.2019 6.3049 6.3049 6.3049 6.3049 8.5780 8.5780 8.5780 8.5780 8.9312 8.9312 8.9312 8.9312 11.8834 11.8834 k = 0.5000 0.5000-0.0000 ( 8600 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3184 -5.3184 -5.3184 -5.3184 -5.0844 -5.0844 -5.0844 -5.0844 0.8696 0.8696 0.8696 0.8696 4.4300 4.4300 4.4300 4.4300 6.2019 6.2019 6.2019 6.2019 6.3049 6.3049 6.3049 6.3049 8.5780 8.5780 8.5780 8.5780 8.9312 8.9312 8.9312 8.9312 11.8834 11.8834 k = 0.4898 0.4898-0.0000 ( 8604 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3904 -20.3904 -7.1750 -7.1750 -7.1747 -7.1747 -5.3242 -5.3242 -5.3122 -5.3122 -5.0907 -5.0907 -5.0782 -5.0782 0.8686 0.8686 0.8705 0.8705 4.4288 4.4288 4.4333 4.4333 6.2015 6.2015 6.2035 6.2035 6.3033 6.3033 6.3060 6.3060 8.5656 8.5656 8.5774 8.5774 8.9336 8.9336 8.9422 8.9422 11.8701 11.8701 k = 0.4796 0.4796-0.0000 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3907 -20.3907 -20.3904 -20.3904 -7.1751 -7.1751 -7.1742 -7.1742 -5.3295 -5.3295 -5.3057 -5.3057 -5.0969 -5.0969 -5.0720 -5.0720 0.8654 0.8654 0.8730 0.8730 4.4298 4.4298 4.4386 4.4386 6.2023 6.2023 6.2054 6.2054 6.3006 6.3006 6.3081 6.3081 8.5322 8.5322 8.5750 8.5750 8.9446 8.9446 8.9678 8.9678 11.8446 11.8446 k = 0.4694 0.4694-0.0000 ( 8620 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6149 -34.6149 -34.6061 -34.6061 -34.6060 -34.6060 -20.3910 -20.3910 -20.3903 -20.3903 -7.1753 -7.1753 -7.1733 -7.1733 -5.3344 -5.3344 -5.2988 -5.2988 -5.1032 -5.1032 -5.0659 -5.0659 0.8600 0.8600 0.8772 0.8772 4.4330 4.4330 4.4461 4.4461 6.2011 6.2011 6.2078 6.2078 6.2994 6.2994 6.3117 6.3117 8.4847 8.4847 8.5712 8.5712 8.9625 8.9625 9.0021 9.0021 11.8140 11.8140 k = 0.4592 0.4592-0.0000 ( 8631 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8985 -34.8985 -34.8984 -34.8984 -34.6150 -34.6150 -34.6149 -34.6149 -34.6061 -34.6061 -34.6060 -34.6060 -20.3914 -20.3914 -20.3902 -20.3902 -7.1755 -7.1755 -7.1721 -7.1721 -5.3389 -5.3389 -5.2916 -5.2916 -5.1095 -5.1095 -5.0598 -5.0598 0.8526 0.8526 0.8830 0.8830 4.4383 4.4383 4.4557 4.4557 6.1923 6.1923 6.2127 6.2127 6.3037 6.3037 6.3169 6.3169 8.4288 8.4288 8.5660 8.5660 8.9863 8.9863 9.0396 9.0396 11.7838 11.7838 k = 0.4490 0.4490-0.0000 ( 8623 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8985 -34.8985 -34.8983 -34.8983 -34.6150 -34.6150 -34.6149 -34.6149 -34.6062 -34.6062 -34.6060 -34.6060 -20.3920 -20.3920 -20.3900 -20.3900 -7.1758 -7.1758 -7.1706 -7.1706 -5.3428 -5.3428 -5.2841 -5.2841 -5.1158 -5.1158 -5.0538 -5.0538 0.8430 0.8430 0.8903 0.8903 4.4459 4.4459 4.4674 4.4674 6.1746 6.1746 6.2196 6.2196 6.3144 6.3144 6.3246 6.3246 8.3683 8.3683 8.5595 8.5595 9.0147 9.0147 9.0772 9.0772 11.7564 11.7564 k = 0.4388 0.4388-0.0000 ( 8623 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8985 -34.8985 -34.8983 -34.8983 -34.6150 -34.6150 -34.6148 -34.6148 -34.6063 -34.6063 -34.6060 -34.6060 -20.3926 -20.3926 -20.3898 -20.3898 -7.1762 -7.1762 -7.1687 -7.1687 -5.3463 -5.3463 -5.2763 -5.2763 -5.1220 -5.1220 -5.0478 -5.0478 0.8314 0.8314 0.8990 0.8990 4.4557 4.4557 4.4812 4.4812 6.1496 6.1496 6.2282 6.2282 6.3271 6.3271 6.3385 6.3385 8.3055 8.3055 8.5516 8.5516 9.0463 9.0463 9.1128 9.1128 11.7267 11.7267 k = 0.4286 0.4286-0.0000 ( 8639 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8986 -34.8986 -34.8982 -34.8982 -34.6150 -34.6150 -34.6147 -34.6147 -34.6064 -34.6064 -34.6060 -34.6060 -20.3934 -20.3934 -20.3896 -20.3896 -7.1766 -7.1766 -7.1665 -7.1665 -5.3492 -5.3492 -5.2682 -5.2682 -5.1282 -5.1282 -5.0419 -5.0419 0.8178 0.8178 0.9090 0.9090 4.4679 4.4679 4.4971 4.4971 6.1193 6.1193 6.2383 6.2383 6.3379 6.3379 6.3605 6.3605 8.2423 8.2423 8.5426 8.5426 9.0794 9.0794 9.1455 9.1455 11.6774 11.6774 k = 0.4184 0.4184-0.0000 ( 8635 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8986 -34.8986 -34.8982 -34.8982 -34.6149 -34.6149 -34.6146 -34.6146 -34.6065 -34.6065 -34.6059 -34.6059 -20.3943 -20.3943 -20.3893 -20.3893 -7.1771 -7.1771 -7.1640 -7.1640 -5.3516 -5.3516 -5.2600 -5.2600 -5.1343 -5.1343 -5.0361 -5.0361 0.8021 0.8021 0.9201 0.9201 4.4824 4.4824 4.5152 4.5152 6.0853 6.0853 6.2498 6.2498 6.3495 6.3495 6.3865 6.3865 8.1803 8.1803 8.5325 8.5325 9.1122 9.1122 9.1748 9.1748 11.6226 11.6226 k = 0.4082 0.4082-0.0000 ( 8627 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8987 -34.8987 -34.8981 -34.8981 -34.6149 -34.6149 -34.6145 -34.6145 -34.6066 -34.6066 -34.6059 -34.6059 -20.3953 -20.3953 -20.3890 -20.3890 -7.1776 -7.1776 -7.1611 -7.1611 -5.3535 -5.3535 -5.2515 -5.2515 -5.1403 -5.1403 -5.0303 -5.0303 0.7845 0.7845 0.9322 0.9322 4.4993 4.4993 4.5354 4.5354 6.0492 6.0492 6.2625 6.2625 6.3626 6.3626 6.4144 6.4144 8.1211 8.1211 8.5213 8.5213 9.1431 9.1431 9.2007 9.2007 11.5731 11.5731 k = 0.3980 0.3980-0.0000 ( 8631 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8987 -34.8987 -34.8980 -34.8980 -34.6149 -34.6149 -34.6144 -34.6144 -34.6068 -34.6068 -34.6059 -34.6059 -20.3963 -20.3963 -20.3887 -20.3887 -7.1781 -7.1781 -7.1580 -7.1580 -5.3549 -5.3549 -5.2430 -5.2430 -5.1461 -5.1461 -5.0247 -5.0247 0.7650 0.7650 0.9450 0.9450 4.5187 4.5187 4.5578 4.5578 6.0118 6.0118 6.2764 6.2764 6.3776 6.3776 6.4423 6.4423 8.0663 8.0663 8.5091 8.5091 9.1705 9.1705 9.2232 9.2232 11.5314 11.5314 k = 0.3878 0.3878-0.0000 ( 8617 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8988 -34.8988 -34.8980 -34.8980 -34.6149 -34.6149 -34.6142 -34.6142 -34.6070 -34.6070 -34.6059 -34.6059 -20.3975 -20.3975 -20.3883 -20.3883 -7.1787 -7.1787 -7.1545 -7.1545 -5.3557 -5.3557 -5.2344 -5.2344 -5.1517 -5.1517 -5.0192 -5.0192 0.7435 0.7435 0.9584 0.9584 4.5406 4.5406 4.5824 4.5824 5.9742 5.9742 6.2912 6.2912 6.3945 6.3945 6.4688 6.4688 8.0178 8.0178 8.4961 8.4961 9.1930 9.1930 9.2426 9.2426 11.4972 11.4972 k = 0.3776 0.3776-0.0000 ( 8627 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8988 -34.8988 -34.8979 -34.8979 -34.6148 -34.6148 -34.6141 -34.6141 -34.6071 -34.6071 -34.6059 -34.6059 -20.3988 -20.3988 -20.3879 -20.3879 -7.1794 -7.1794 -7.1507 -7.1507 -5.3560 -5.3560 -5.2259 -5.2259 -5.1569 -5.1569 -5.0137 -5.0137 0.7203 0.7203 0.9721 0.9721 4.5650 4.5650 4.6092 4.6092 5.9372 5.9372 6.3069 6.3069 6.4135 6.4135 6.4919 6.4919 7.9775 7.9775 8.4822 8.4822 9.2097 9.2097 9.2596 9.2596 11.4682 11.4682 k = 0.3673 0.3673-0.0000 ( 8633 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8989 -34.8989 -34.8978 -34.8978 -34.6148 -34.6148 -34.6140 -34.6140 -34.6074 -34.6074 -34.6059 -34.6059 -20.4002 -20.4002 -20.3875 -20.3875 -7.1800 -7.1800 -7.1467 -7.1467 -5.3557 -5.3557 -5.2177 -5.2177 -5.1616 -5.1616 -5.0084 -5.0084 0.6953 0.6953 0.9860 0.9860 4.5918 4.5918 4.6381 4.6381 5.9013 5.9013 6.3233 6.3233 6.4345 6.4345 6.5099 6.5099 7.9474 7.9474 8.4675 8.4675 9.2198 9.2198 9.2747 9.2747 11.4395 11.4395 k = 0.3571 0.3571-0.0000 ( 8645 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8990 -34.8990 -34.8977 -34.8977 -34.6148 -34.6148 -34.6138 -34.6138 -34.6076 -34.6076 -34.6059 -34.6059 -20.4016 -20.4016 -20.3871 -20.3871 -7.1807 -7.1807 -7.1423 -7.1423 -5.3549 -5.3549 -5.2102 -5.2102 -5.1652 -5.1652 -5.0032 -5.0032 0.6687 0.6687 0.9999 0.9999 4.6210 4.6210 4.6692 4.6692 5.8673 5.8673 6.3402 6.3402 6.4575 6.4575 6.5213 6.5213 7.9296 7.9296 8.4521 8.4521 9.2231 9.2231 9.2890 9.2890 11.4027 11.4027 k = 0.3469 0.3469-0.0000 ( 8631 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8991 -34.8991 -34.8976 -34.8976 -34.6148 -34.6148 -34.6136 -34.6136 -34.6078 -34.6078 -34.6058 -34.6058 -20.4032 -20.4032 -20.3866 -20.3866 -7.1814 -7.1814 -7.1377 -7.1377 -5.3536 -5.3536 -5.2043 -5.2043 -5.1670 -5.1670 -4.9981 -4.9981 0.6404 0.6404 1.0134 1.0134 4.6526 4.6526 4.7025 4.7025 5.8357 5.8357 6.3575 6.3575 6.4821 6.4821 6.5253 6.5253 7.9256 7.9256 8.4361 8.4361 9.2197 9.2197 9.3033 9.3033 11.3485 11.3485 k = 0.3367 0.3367-0.0000 ( 8623 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8992 -34.8992 -34.8975 -34.8975 -34.6147 -34.6147 -34.6135 -34.6135 -34.6080 -34.6080 -34.6058 -34.6058 -20.4048 -20.4048 -20.3862 -20.3862 -7.1822 -7.1822 -7.1328 -7.1328 -5.3517 -5.3517 -5.2012 -5.2012 -5.1658 -5.1658 -4.9932 -4.9932 0.6106 0.6106 1.0264 1.0264 4.6865 4.6865 4.7379 4.7379 5.8070 5.8070 6.3747 6.3747 6.5051 6.5051 6.5248 6.5248 7.9363 7.9363 8.4195 8.4195 9.2101 9.2101 9.3186 9.3186 11.2717 11.2717 k = 0.3265 0.3265-0.0000 ( 8621 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8993 -34.8993 -34.8974 -34.8974 -34.6147 -34.6147 -34.6133 -34.6133 -34.6082 -34.6082 -34.6057 -34.6057 -20.4064 -20.4064 -20.3857 -20.3857 -7.1829 -7.1829 -7.1277 -7.1277 -5.3494 -5.3494 -5.2012 -5.2012 -5.1610 -5.1610 -4.9884 -4.9884 0.5794 0.5794 1.0387 1.0387 4.7225 4.7225 4.7753 4.7753 5.7815 5.7815 6.3903 6.3903 6.5049 6.5049 6.5429 6.5429 7.9618 7.9618 8.4024 8.4024 9.1955 9.1955 9.3353 9.3353 11.1740 11.1740 k = 0.3163 0.3163-0.0000 ( 8625 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8994 -34.8994 -34.8973 -34.8973 -34.6147 -34.6147 -34.6131 -34.6131 -34.6085 -34.6085 -34.6057 -34.6057 -20.4081 -20.4081 -20.3852 -20.3852 -7.1836 -7.1836 -7.1224 -7.1224 -5.3467 -5.3467 -5.2034 -5.2034 -5.1538 -5.1538 -4.9838 -4.9838 0.5468 0.5468 1.0501 1.0501 4.7606 4.7606 4.8146 4.8146 5.7597 5.7597 6.4006 6.4006 6.4932 6.4932 6.5725 6.5725 8.0014 8.0014 8.3846 8.3846 9.1770 9.1770 9.3542 9.3542 11.0611 11.0611 k = 0.3061 0.3061-0.0000 ( 8617 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8994 -34.8994 -34.8972 -34.8972 -34.6146 -34.6146 -34.6129 -34.6129 -34.6087 -34.6087 -34.6056 -34.6056 -20.4099 -20.4099 -20.3847 -20.3847 -7.1843 -7.1843 -7.1169 -7.1169 -5.3435 -5.3435 -5.2066 -5.2066 -5.1452 -5.1452 -4.9794 -4.9794 0.5130 0.5130 1.0603 1.0603 4.8004 4.8004 4.8557 4.8557 5.7417 5.7417 6.3972 6.3972 6.4889 6.4889 6.6046 6.6046 8.0540 8.0540 8.3663 8.3663 9.1560 9.1560 9.3758 9.3758 10.9390 10.9390 k = 0.2959 0.2959-0.0000 ( 8619 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8996 -34.8996 -34.8971 -34.8971 -34.6146 -34.6146 -34.6128 -34.6128 -34.6090 -34.6090 -34.6056 -34.6056 -20.4117 -20.4117 -20.3841 -20.3841 -7.1851 -7.1851 -7.1111 -7.1111 -5.3400 -5.3400 -5.2103 -5.2103 -5.1358 -5.1358 -4.9751 -4.9751 0.4780 0.4780 1.0693 1.0693 4.8418 4.8418 4.8983 4.8983 5.7278 5.7278 6.3760 6.3760 6.4988 6.4988 6.6384 6.6384 8.1179 8.1179 8.3474 8.3474 9.1336 9.1336 9.4005 9.4005 10.8118 10.8118 k = 0.2857 0.2857-0.0000 ( 8629 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8997 -34.8997 -34.8969 -34.8969 -34.6146 -34.6146 -34.6126 -34.6126 -34.6093 -34.6093 -34.6055 -34.6055 -20.4135 -20.4135 -20.3836 -20.3836 -7.1858 -7.1858 -7.1052 -7.1052 -5.3362 -5.3362 -5.2141 -5.2141 -5.1260 -5.1260 -4.9710 -4.9710 0.4420 0.4420 1.0769 1.0769 4.8846 4.8846 4.9420 4.9420 5.7182 5.7182 6.3441 6.3441 6.5180 6.5180 6.6736 6.6736 8.1914 8.1914 8.3278 8.3278 9.1110 9.1110 9.4289 9.4289 10.6823 10.6823 k = 0.2755 0.2755-0.0000 ( 8637 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8998 -34.8998 -34.8968 -34.8968 -34.6146 -34.6146 -34.6124 -34.6124 -34.6095 -34.6095 -34.6054 -34.6054 -20.4154 -20.4154 -20.3830 -20.3830 -7.1864 -7.1864 -7.0992 -7.0992 -5.3321 -5.3321 -5.2176 -5.2176 -5.1159 -5.1159 -4.9671 -4.9671 0.4052 0.4052 1.0830 1.0830 4.9281 4.9281 4.9864 4.9864 5.7129 5.7129 6.3085 6.3085 6.5420 6.5420 6.7097 6.7097 8.2725 8.2725 8.3074 8.3074 9.0894 9.0894 9.4614 9.4614 10.5523 10.5523 k = 0.2653 0.2653-0.0000 ( 8637 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8999 -34.8999 -34.8967 -34.8967 -34.6145 -34.6145 -34.6123 -34.6123 -34.6098 -34.6098 -34.6054 -34.6054 -20.4173 -20.4173 -20.3825 -20.3825 -7.1871 -7.1871 -7.0930 -7.0930 -5.3278 -5.3278 -5.2209 -5.2209 -5.1057 -5.1057 -4.9634 -4.9634 0.3676 0.3676 1.0875 1.0875 4.9719 4.9719 5.0313 5.0313 5.7120 5.7120 6.2733 6.2733 6.5688 6.5688 6.7467 6.7467 8.2860 8.2860 8.3598 8.3598 9.0696 9.0696 9.4987 9.4987 10.4232 10.4232 k = 0.2551 0.2551-0.0000 ( 8643 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9000 -34.9000 -34.8966 -34.8966 -34.6145 -34.6145 -34.6122 -34.6122 -34.6101 -34.6101 -34.6053 -34.6053 -20.4192 -20.4192 -20.3819 -20.3819 -7.1877 -7.1877 -7.0868 -7.0868 -5.3236 -5.3236 -5.2238 -5.2238 -5.0954 -5.0954 -4.9598 -4.9598 0.3293 0.3293 1.0905 1.0905 5.0146 5.0146 5.0765 5.0765 5.7155 5.7155 6.2416 6.2416 6.5980 6.5980 6.7842 6.7842 8.2635 8.2635 8.4513 8.4513 9.0525 9.0525 9.5411 9.5411 10.2958 10.2958 k = 0.2449 0.2449-0.0000 ( 8639 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9001 -34.9001 -34.8965 -34.8965 -34.6145 -34.6145 -34.6120 -34.6120 -34.6103 -34.6103 -34.6052 -34.6052 -20.4211 -20.4211 -20.3814 -20.3814 -7.1883 -7.1883 -7.0804 -7.0804 -5.3194 -5.3194 -5.2261 -5.2261 -5.0851 -5.0851 -4.9564 -4.9564 0.2906 0.2906 1.0918 1.0918 5.0543 5.0543 5.1225 5.1225 5.7233 5.7233 6.2159 6.2159 6.6292 6.6292 6.8220 6.8220 8.2397 8.2397 8.5455 8.5455 9.0388 9.0388 9.5893 9.5893 10.1711 10.1711 k = 0.2347 0.2347-0.0000 ( 8655 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9002 -34.9002 -34.8964 -34.8964 -34.6144 -34.6144 -34.6119 -34.6119 -34.6106 -34.6106 -34.6051 -34.6051 -20.4230 -20.4230 -20.3808 -20.3808 -7.1889 -7.1889 -7.0740 -7.0740 -5.3154 -5.3154 -5.2278 -5.2278 -5.0748 -5.0748 -4.9531 -4.9531 0.2516 0.2516 1.0915 1.0915 5.0887 5.0887 5.1700 5.1700 5.7354 5.7354 6.1988 6.1988 6.6622 6.6622 6.8595 6.8595 8.2142 8.2142 8.6405 8.6405 9.0294 9.0294 9.6438 9.6438 10.0496 10.0496 k = 0.2245 0.2245-0.0000 ( 8655 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9003 -34.9003 -34.8963 -34.8963 -34.6144 -34.6144 -34.6117 -34.6117 -34.6108 -34.6108 -34.6050 -34.6050 -20.4249 -20.4249 -20.3803 -20.3803 -7.1894 -7.1894 -7.0676 -7.0676 -5.3117 -5.3117 -5.2286 -5.2286 -5.0648 -5.0648 -4.9500 -4.9500 0.2124 0.2124 1.0897 1.0897 5.1152 5.1152 5.2199 5.2199 5.7515 5.7515 6.1925 6.1925 6.6972 6.6972 6.8966 6.8966 8.1867 8.1867 8.7345 8.7345 9.0248 9.0248 9.7047 9.7047 9.9325 9.9325 k = 0.2143 0.2143-0.0000 ( 8653 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9004 -34.9004 -34.8962 -34.8962 -34.6144 -34.6144 -34.6116 -34.6116 -34.6111 -34.6111 -34.6049 -34.6049 -20.4268 -20.4268 -20.3797 -20.3797 -7.1899 -7.1899 -7.0612 -7.0612 -5.3086 -5.3086 -5.2284 -5.2284 -5.0550 -5.0550 -4.9469 -4.9469 0.1732 0.1732 1.0864 1.0864 5.1324 5.1324 5.2724 5.2724 5.7714 5.7714 6.1985 6.1985 6.7340 6.7340 6.9326 6.9326 8.1569 8.1569 8.8256 8.8256 9.0259 9.0259 9.7641 9.7641 9.8287 9.8287 k = 0.2041 0.2041-0.0000 ( 8661 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9005 -34.9005 -34.8960 -34.8960 -34.6144 -34.6144 -34.6115 -34.6115 -34.6113 -34.6113 -34.6048 -34.6048 -20.4286 -20.4286 -20.3792 -20.3792 -7.1903 -7.1903 -7.0549 -7.0549 -5.3062 -5.3062 -5.2272 -5.2272 -5.0455 -5.0455 -4.9438 -4.9438 0.1341 0.1341 1.0818 1.0818 5.1399 5.1399 5.3272 5.3272 5.7949 5.7949 6.2180 6.2180 6.7726 6.7726 6.9672 6.9672 8.1245 8.1245 8.9113 8.9113 9.0339 9.0339 9.7001 9.7001 9.8613 9.8613 k = 0.1939 0.1939-0.0000 ( 8651 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9006 -34.9006 -34.8959 -34.8959 -34.6144 -34.6144 -34.6115 -34.6115 -34.6114 -34.6114 -34.6047 -34.6047 -20.4304 -20.4304 -20.3787 -20.3787 -7.1907 -7.1907 -7.0486 -7.0486 -5.3045 -5.3045 -5.2249 -5.2249 -5.0365 -5.0365 -4.9406 -4.9406 0.0954 0.0954 1.0760 1.0760 5.1382 5.1382 5.3841 5.3841 5.8217 5.8217 6.2509 6.2509 6.8132 6.8132 6.9997 6.9997 8.0890 8.0890 8.9862 8.9862 9.0531 9.0531 9.5973 9.5973 9.9462 9.9462 k = 0.1837 0.1837-0.0000 ( 8643 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9007 -34.9007 -34.8958 -34.8958 -34.6144 -34.6144 -34.6117 -34.6117 -34.6113 -34.6113 -34.6045 -34.6045 -20.4322 -20.4322 -20.3782 -20.3782 -7.1911 -7.1911 -7.0423 -7.0423 -5.3035 -5.3035 -5.2216 -5.2216 -5.0282 -5.0282 -4.9372 -4.9372 0.0573 0.0573 1.0691 1.0691 5.1284 5.1284 5.4428 5.4428 5.8514 5.8514 6.2966 6.2966 6.8555 6.8555 7.0298 7.0298 8.0503 8.0503 9.0371 9.0371 9.0957 9.0957 9.4979 9.4979 9.9975 9.9975 k = 0.1735 0.1735-0.0000 ( 8645 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9008 -34.9008 -34.8957 -34.8957 -34.6144 -34.6144 -34.6119 -34.6119 -34.6112 -34.6112 -34.6044 -34.6044 -20.4339 -20.4339 -20.3777 -20.3777 -7.1914 -7.1914 -7.0362 -7.0362 -5.3031 -5.3031 -5.2172 -5.2172 -5.0206 -5.0206 -4.9335 -4.9335 0.0198 0.0198 1.0613 1.0613 5.1120 5.1120 5.5031 5.5031 5.8837 5.8837 6.3539 6.3539 6.8998 6.8998 7.0567 7.0567 8.0079 8.0079 9.0700 9.0700 9.1550 9.1550 9.4038 9.4038 9.9405 9.9405 k = 0.1633 0.1633-0.0000 ( 8647 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9009 -34.9009 -34.8956 -34.8956 -34.6144 -34.6144 -34.6121 -34.6121 -34.6111 -34.6111 -34.6043 -34.6043 -20.4355 -20.4355 -20.3772 -20.3772 -7.1917 -7.1917 -7.0303 -7.0303 -5.3033 -5.3033 -5.2121 -5.2121 -5.0139 -5.0139 -4.9295 -4.9295 -0.0168 -0.0168 1.0527 1.0527 5.0906 5.0906 5.5647 5.5647 5.9184 5.9184 6.4211 6.4211 6.9459 6.9459 7.0799 7.0799 7.9618 7.9618 9.1029 9.1029 9.2118 9.2118 9.3160 9.3160 9.8897 9.8897 k = 0.1531 0.1531-0.0000 ( 8655 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9010 -34.9010 -34.8955 -34.8955 -34.6144 -34.6144 -34.6123 -34.6123 -34.6110 -34.6110 -34.6041 -34.6041 -20.4371 -20.4371 -20.3767 -20.3767 -7.1919 -7.1919 -7.0245 -7.0245 -5.3039 -5.3039 -5.2064 -5.2064 -5.0083 -5.0083 -4.9250 -4.9250 -0.0524 -0.0524 1.0436 1.0436 5.0657 5.0657 5.6276 5.6276 5.9552 5.9552 6.4969 6.4969 6.9939 6.9939 7.0989 7.0989 7.9118 7.9118 9.1405 9.1405 9.2290 9.2290 9.2670 9.2670 9.8160 9.8160 k = 0.1429 0.1429-0.0000 ( 8651 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9011 -34.9011 -34.8954 -34.8954 -34.6145 -34.6145 -34.6125 -34.6125 -34.6110 -34.6110 -34.6040 -34.6040 -20.4387 -20.4387 -20.3763 -20.3763 -7.1921 -7.1921 -7.0190 -7.0190 -5.3048 -5.3048 -5.2001 -5.2001 -5.0038 -5.0038 -4.9200 -4.9200 -0.0867 -0.0867 1.0341 1.0341 5.0387 5.0387 5.6917 5.6917 5.9938 5.9938 6.5796 6.5796 7.0436 7.0436 7.1133 7.1133 7.8582 7.8582 9.1560 9.1560 9.1834 9.1834 9.3065 9.3065 9.6999 9.6999 k = 0.1327 0.1327-0.0000 ( 8659 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9012 -34.9012 -34.8953 -34.8953 -34.6145 -34.6145 -34.6126 -34.6126 -34.6109 -34.6109 -34.6039 -34.6039 -20.4401 -20.4401 -20.3759 -20.3759 -7.1923 -7.1923 -7.0137 -7.0137 -5.3059 -5.3059 -5.1936 -5.1936 -5.0004 -5.0004 -4.9145 -4.9145 -0.1196 -0.1196 1.0244 1.0244 5.0107 5.0107 5.7567 5.7567 6.0340 6.0340 6.6682 6.6682 7.0947 7.0947 7.1230 7.1230 7.8009 7.8009 9.0875 9.0875 9.2313 9.2313 9.3396 9.3396 9.5837 9.5837 k = 0.1224 0.1224-0.0000 ( 8647 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9013 -34.9013 -34.8952 -34.8952 -34.6146 -34.6146 -34.6127 -34.6127 -34.6108 -34.6108 -34.6037 -34.6037 -20.4415 -20.4415 -20.3755 -20.3755 -7.1924 -7.1924 -7.0086 -7.0086 -5.3070 -5.3070 -5.1868 -5.1868 -4.9980 -4.9980 -4.9087 -4.9087 -0.1508 -0.1508 1.0147 1.0147 4.9825 4.9825 5.8226 5.8226 6.0754 6.0754 6.7613 6.7613 7.1251 7.1251 7.1497 7.1497 7.7404 7.7404 9.0257 9.0257 9.2824 9.2824 9.3643 9.3643 9.4703 9.4703 k = 0.1122 0.1122-0.0000 ( 8641 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9013 -34.9013 -34.8951 -34.8951 -34.6146 -34.6146 -34.6128 -34.6128 -34.6108 -34.6108 -34.6036 -34.6036 -20.4427 -20.4427 -20.3751 -20.3751 -7.1926 -7.1926 -7.0039 -7.0039 -5.3083 -5.3083 -5.1800 -5.1800 -4.9966 -4.9966 -4.9026 -4.9026 -0.1804 -0.1804 1.0051 1.0051 4.9550 4.9550 5.8892 5.8892 6.1178 6.1178 6.8579 6.8579 7.1241 7.1241 7.2039 7.2039 7.6771 7.6771 8.9709 8.9709 9.3271 9.3271 9.3580 9.3580 9.3914 9.3914 k = 0.1020 0.1020-0.0000 ( 8635 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9014 -34.9014 -34.8951 -34.8951 -34.6147 -34.6147 -34.6129 -34.6129 -34.6107 -34.6107 -34.6035 -34.6035 -20.4439 -20.4439 -20.3748 -20.3748 -7.1927 -7.1927 -6.9994 -6.9994 -5.3095 -5.3095 -5.1733 -5.1733 -4.9961 -4.9961 -4.8965 -4.8965 -0.2079 -0.2079 0.9958 0.9958 4.9286 4.9286 5.9563 5.9563 6.1610 6.1610 6.9569 6.9569 7.1171 7.1171 7.2601 7.2601 7.6115 7.6115 8.9231 8.9231 9.2468 9.2468 9.3563 9.3563 9.4286 9.4286 k = 0.0918 0.0918-0.0000 ( 8641 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6148 -34.6148 -34.6129 -34.6129 -34.6107 -34.6107 -34.6034 -34.6034 -20.4450 -20.4450 -20.3745 -20.3745 -7.1927 -7.1927 -6.9953 -6.9953 -5.3106 -5.3106 -5.1666 -5.1666 -4.9962 -4.9962 -4.8905 -4.8905 -0.2334 -0.2334 0.9869 0.9869 4.9037 4.9037 6.0235 6.0235 6.2045 6.2045 7.0569 7.0569 7.1052 7.1052 7.3175 7.3175 7.5442 7.5442 8.8820 8.8820 9.1429 9.1429 9.3512 9.3512 9.4876 9.4876 k = 0.0816 0.0816-0.0000 ( 8633 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8949 -34.8949 -34.6149 -34.6149 -34.6130 -34.6130 -34.6107 -34.6107 -34.6033 -34.6033 -20.4460 -20.4460 -20.3742 -20.3742 -7.1928 -7.1928 -6.9916 -6.9916 -5.3117 -5.3117 -5.1602 -5.1602 -4.9968 -4.9968 -4.8847 -4.8847 -0.2567 -0.2567 0.9786 0.9786 4.8808 4.8808 6.0906 6.0906 6.2481 6.2481 7.0876 7.0876 7.1580 7.1580 7.3757 7.3757 7.4760 7.4760 8.8472 8.8472 9.0426 9.0426 9.3304 9.3304 9.5524 9.5524 k = 0.0714 0.0714-0.0000 ( 8625 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9016 -34.9016 -34.8949 -34.8949 -34.6149 -34.6149 -34.6130 -34.6130 -34.6106 -34.6106 -34.6032 -34.6032 -20.4469 -20.4469 -20.3739 -20.3739 -7.1928 -7.1928 -6.9883 -6.9883 -5.3127 -5.3127 -5.1542 -5.1542 -4.9979 -4.9979 -4.8793 -4.8793 -0.2775 -0.2775 0.9709 0.9709 4.8601 4.8601 6.1569 6.1569 6.2914 6.2914 7.0669 7.0669 7.2566 7.2566 7.4066 7.4066 7.4354 7.4354 8.8181 8.8181 8.9471 8.9471 9.2975 9.2975 9.6179 9.6179 k = 0.0612 0.0612-0.0000 ( 8629 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8948 -34.8948 -34.6150 -34.6150 -34.6130 -34.6130 -34.6106 -34.6106 -34.6031 -34.6031 -20.4476 -20.4476 -20.3737 -20.3737 -7.1928 -7.1928 -6.9853 -6.9853 -5.3136 -5.3136 -5.1487 -5.1487 -4.9992 -4.9992 -4.8744 -4.8744 -0.2959 -0.2959 0.9641 0.9641 4.8417 4.8417 6.2218 6.2218 6.3338 6.3338 7.0431 7.0431 7.3385 7.3385 7.3527 7.3527 7.4935 7.4935 8.7936 8.7936 8.8581 8.8581 9.2548 9.2548 9.6810 9.6810 k = 0.0510 0.0510-0.0000 ( 8639 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6150 -34.6150 -34.6130 -34.6130 -34.6106 -34.6106 -34.6031 -34.6031 -20.4483 -20.4483 -20.3735 -20.3735 -7.1929 -7.1929 -6.9828 -6.9828 -5.3144 -5.3144 -5.1437 -5.1437 -5.0006 -5.0006 -4.8701 -4.8701 -0.3116 -0.3116 0.9581 0.9581 4.8260 4.8260 6.2841 6.2841 6.3747 6.3747 7.0175 7.0175 7.2734 7.2734 7.4412 7.4412 7.5513 7.5513 8.7616 8.7616 8.7884 8.7884 9.2053 9.2053 9.7385 9.7385 k = 0.0408 0.0408-0.0000 ( 8629 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6131 -34.6131 -34.6106 -34.6106 -34.6030 -34.6030 -20.4488 -20.4488 -20.3734 -20.3734 -7.1929 -7.1929 -6.9808 -6.9808 -5.3151 -5.3151 -5.1394 -5.1394 -5.0020 -5.0020 -4.8664 -4.8664 -0.3246 -0.3246 0.9531 0.9531 4.8130 4.8130 6.3419 6.3419 6.4135 6.4135 6.9916 6.9916 7.2115 7.2115 7.5205 7.5205 7.6075 7.6075 8.6946 8.6946 8.7666 8.7666 9.1532 9.1532 9.7878 9.7878 k = 0.0306 0.0306-0.0000 ( 8625 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6151 -34.6151 -34.6131 -34.6131 -34.6106 -34.6106 -34.6030 -34.6030 -20.4493 -20.4493 -20.3733 -20.3733 -7.1929 -7.1929 -6.9791 -6.9791 -5.3156 -5.3156 -5.1358 -5.1358 -5.0032 -5.0032 -4.8635 -4.8635 -0.3349 -0.3349 0.9492 0.9492 4.8027 4.8027 6.3922 6.3922 6.4491 6.4491 6.9674 6.9674 7.1558 7.1558 7.5861 7.5861 7.6602 7.6602 8.6317 8.6317 8.7555 8.7555 9.1034 9.1034 9.8271 9.8271 k = 0.0204 0.0204-0.0000 ( 8633 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4496 -20.4496 -20.3732 -20.3732 -7.1929 -7.1929 -6.9780 -6.9780 -5.3159 -5.3159 -5.1333 -5.1333 -5.0042 -5.0042 -4.8614 -4.8614 -0.3422 -0.3422 0.9463 0.9463 4.7954 4.7954 6.4310 6.4310 6.4801 6.4801 6.9472 6.9472 7.1101 7.1101 7.6345 7.6345 7.7052 7.7052 8.5823 8.5823 8.7484 8.7484 9.0617 9.0617 9.8558 9.8558 k = 0.0102 0.0102-0.0000 ( 8635 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1929 -7.1929 -6.9773 -6.9773 -5.3161 -5.3161 -5.1317 -5.1317 -5.0048 -5.0048 -4.8602 -4.8602 -0.3466 -0.3466 0.9446 0.9446 4.7909 4.7909 6.4551 6.4551 6.5026 6.5026 6.9336 6.9336 7.0793 7.0793 7.6643 7.6643 7.7362 7.7362 8.5504 8.5504 8.7444 8.7444 9.0337 9.0337 9.8733 9.8733 k = 0.0000 0.0000 0.0000 ( 8649 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1929 -7.1929 -6.9770 -6.9770 -5.3162 -5.3162 -5.1311 -5.1311 -5.0051 -5.0051 -4.8597 -4.8597 -0.3481 -0.3481 0.9440 0.9440 4.7894 4.7894 6.4632 6.4632 6.5111 6.5111 6.9287 6.9287 7.0683 7.0683 7.6743 7.6743 7.7472 7.7472 8.5393 8.5393 8.7431 8.7431 9.0238 9.0238 9.8793 9.8793 k = 0.0000 0.0000 0.0000 ( 8649 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1929 -7.1929 -6.9770 -6.9770 -5.3162 -5.3162 -5.1311 -5.1311 -5.0051 -5.0051 -4.8597 -4.8597 -0.3481 -0.3481 0.9440 0.9440 4.7894 4.7894 6.4632 6.4632 6.5111 6.5111 6.9287 6.9287 7.0683 7.0683 7.6743 7.6743 7.7472 7.7472 8.5393 8.5393 8.7431 8.7431 9.0238 9.0238 9.8793 9.8793 k = 0.0000 0.0000 0.0146 ( 8633 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1928 -7.1928 -6.9771 -6.9771 -5.3161 -5.3161 -5.1311 -5.1311 -5.0053 -5.0053 -4.8597 -4.8597 -0.3467 -0.3467 0.9431 0.9431 4.7869 4.7869 6.4624 6.4624 6.5104 6.5104 6.9247 6.9247 7.0695 7.0695 7.6759 7.6759 7.7489 7.7489 8.5349 8.5349 8.7387 8.7387 9.0426 9.0426 9.8791 9.8791 k = 0.0000 0.0000 0.0293 ( 8641 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1927 -7.1927 -6.9773 -6.9773 -5.3156 -5.3156 -5.1310 -5.1310 -5.0060 -5.0060 -4.8598 -4.8598 -0.3425 -0.3425 0.9401 0.9401 4.7794 4.7794 6.4600 6.4600 6.5083 6.5083 6.9127 6.9127 7.0731 7.0731 7.6806 7.6806 7.7537 7.7537 8.5220 8.5220 8.7305 8.7305 9.0935 9.0935 9.8787 9.8787 k = 0.0000 0.0000 0.0439 ( 8629 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1924 -7.1924 -6.9776 -6.9776 -5.3148 -5.3148 -5.1310 -5.1310 -5.0073 -5.0073 -4.8599 -4.8599 -0.3356 -0.3356 0.9352 0.9352 4.7672 4.7672 6.4562 6.4562 6.5048 6.5048 6.8930 6.8930 7.0791 7.0791 7.6883 7.6883 7.7616 7.7616 8.5010 8.5010 8.7274 8.7274 9.1670 9.1670 9.8780 9.8780 k = 0.0000 0.0000 0.0586 ( 8645 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4498 -20.4498 -20.3731 -20.3731 -7.1921 -7.1921 -6.9781 -6.9781 -5.3138 -5.3138 -5.1308 -5.1308 -5.0089 -5.0089 -4.8600 -4.8600 -0.3261 -0.3261 0.9284 0.9284 4.7510 4.7510 6.4511 6.4511 6.5001 6.5001 6.8658 6.8658 7.0874 7.0874 7.6987 7.6987 7.7724 7.7724 8.4727 8.4727 8.7352 8.7352 9.2561 9.2561 9.8771 9.8771 k = 0.0000 0.0000 0.0732 ( 8617 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4497 -20.4497 -20.3732 -20.3732 -7.1916 -7.1916 -6.9787 -6.9787 -5.3125 -5.3125 -5.1307 -5.1307 -5.0110 -5.0110 -4.8602 -4.8602 -0.3140 -0.3140 0.9197 0.9197 4.7314 4.7314 6.4448 6.4448 6.4945 6.4945 6.8320 6.8320 7.0981 7.0981 7.7116 7.7116 7.7858 7.7858 8.4381 8.4381 8.7563 8.7563 9.3565 9.3565 9.8763 9.8763 k = 0.0000 0.0000 0.0879 ( 8637 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4497 -20.4497 -20.3732 -20.3732 -7.1911 -7.1911 -6.9794 -6.9794 -5.3109 -5.3109 -5.1305 -5.1305 -5.0135 -5.0135 -4.8604 -4.8604 -0.2996 -0.2996 0.9092 0.9092 4.7091 4.7091 6.4377 6.4377 6.4879 6.4879 6.7925 6.7925 7.1110 7.1110 7.7267 7.7267 7.8014 7.8014 8.3983 8.3983 8.7913 8.7913 9.4653 9.4653 9.8757 9.8757 k = 0.0000 0.0000 0.1025 ( 8641 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4497 -20.4497 -20.3732 -20.3732 -7.1905 -7.1905 -6.9802 -6.9802 -5.3092 -5.3092 -5.1303 -5.1303 -5.0163 -5.0163 -4.8606 -4.8606 -0.2830 -0.2830 0.8969 0.8969 4.6851 4.6851 6.4298 6.4298 6.4807 6.4807 6.7486 6.7486 7.1261 7.1261 7.7435 7.7435 7.8188 7.8188 8.3543 8.3543 8.8395 8.8395 9.5802 9.5802 9.8757 9.8757 k = 0.0000 0.0000 0.1172 ( 8640 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4496 -20.4496 -20.3733 -20.3733 -7.1898 -7.1898 -6.9810 -6.9810 -5.3072 -5.3072 -5.1301 -5.1301 -5.0193 -5.0193 -4.8609 -4.8609 -0.2646 -0.2646 0.8831 0.8831 4.6600 4.6600 6.4215 6.4215 6.4731 6.4731 6.7015 6.7015 7.1434 7.1434 7.7617 7.7617 7.8376 7.8376 8.3072 8.3072 8.8993 8.8993 9.6985 9.6985 9.8776 9.8776 k = 0.0000 0.0000 0.1318 ( 8640 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4496 -20.4496 -20.3733 -20.3733 -7.1891 -7.1891 -6.9819 -6.9819 -5.3051 -5.3051 -5.1298 -5.1298 -5.0226 -5.0226 -4.8612 -4.8612 -0.2446 -0.2446 0.8678 0.8678 4.6347 4.6347 6.4129 6.4129 6.4652 6.4652 6.6527 6.6527 7.1626 7.1626 7.7807 7.7807 7.8573 7.8573 8.2578 8.2578 8.9690 8.9690 9.8109 9.8109 9.8896 9.8896 k = 0.0000 0.0000 0.1464 ( 8640 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4496 -20.4496 -20.3734 -20.3734 -7.1884 -7.1884 -6.9828 -6.9828 -5.3029 -5.3029 -5.1296 -5.1296 -5.0260 -5.0260 -4.8614 -4.8614 -0.2233 -0.2233 0.8514 0.8514 4.6099 4.6099 6.4043 6.4043 6.4574 6.4574 6.6037 6.6037 7.1838 7.1838 7.8001 7.8001 7.8775 7.8775 8.2071 8.2071 9.0463 9.0463 9.8587 9.8587 9.9693 9.9693 k = 0.0000 0.0000 0.1611 ( 8612 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4495 -20.4495 -20.3734 -20.3734 -7.1877 -7.1877 -6.9837 -6.9837 -5.3007 -5.3007 -5.1294 -5.1294 -5.0294 -5.0294 -4.8617 -4.8617 -0.2013 -0.2013 0.8340 0.8340 4.5860 4.5860 6.3959 6.3959 6.4496 6.4496 6.5556 6.5556 7.2066 7.2066 7.8194 7.8194 7.8976 7.8976 8.1560 8.1560 9.1288 9.1288 9.8655 9.8655 9.9781 9.9781 k = 0.0000 0.0000 0.1757 ( 8640 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4495 -20.4495 -20.3734 -20.3734 -7.1870 -7.1870 -6.9847 -6.9847 -5.2984 -5.2984 -5.1291 -5.1291 -5.0328 -5.0328 -4.8619 -4.8619 -0.1788 -0.1788 0.8160 0.8160 4.5638 4.5638 6.3877 6.3877 6.4423 6.4423 6.5097 6.5097 7.2309 7.2309 7.8381 7.8381 7.9171 7.9171 8.1052 8.1052 9.2139 9.2139 9.8683 9.8683 9.9767 9.9767 k = 0.0000 0.0000 0.1904 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4494 -20.4494 -20.3735 -20.3735 -7.1863 -7.1863 -6.9855 -6.9855 -5.2962 -5.2962 -5.1289 -5.1289 -5.0361 -5.0361 -4.8622 -4.8622 -0.1566 -0.1566 0.7980 0.7980 4.5435 4.5435 6.3799 6.3799 6.4354 6.4354 6.4670 6.4670 7.2562 7.2562 7.8559 7.8559 7.9356 7.9356 8.0556 8.0556 9.2991 9.2991 9.8705 9.8705 9.9758 9.9758 k = 0.0000 0.0000 0.2050 ( 8660 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4494 -20.4494 -20.3735 -20.3735 -7.1857 -7.1857 -6.9863 -6.9863 -5.2942 -5.2942 -5.1287 -5.1287 -5.0392 -5.0392 -4.8624 -4.8624 -0.1352 -0.1352 0.7804 0.7804 4.5254 4.5254 6.3722 6.3722 6.4289 6.4289 6.4292 6.4292 7.2821 7.2821 7.8722 7.8722 7.9526 7.9526 8.0081 8.0081 9.3815 9.3815 9.8728 9.8728 9.9754 9.9754 k = 0.0000 0.0000 0.2197 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4494 -20.4494 -20.3735 -20.3735 -7.1851 -7.1851 -6.9871 -6.9871 -5.2923 -5.2923 -5.1285 -5.1285 -5.0420 -5.0420 -4.8626 -4.8626 -0.1153 -0.1153 0.7638 0.7638 4.5099 4.5099 6.3639 6.3639 6.3971 6.3971 6.4237 6.4237 7.3079 7.3079 7.8868 7.8868 7.9603 7.9603 7.9709 7.9709 9.4582 9.4582 9.8752 9.8752 9.9753 9.9753 k = 0.0000 0.0000 0.2343 ( 8644 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8947 -34.8947 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1846 -7.1846 -6.9877 -6.9877 -5.2906 -5.2906 -5.1284 -5.1284 -5.0444 -5.0444 -4.8628 -4.8628 -0.0975 -0.0975 0.7489 0.7489 4.4970 4.4970 6.3514 6.3514 6.3757 6.3757 6.4191 6.4191 7.3327 7.3327 7.8992 7.8992 7.9222 7.9222 7.9816 7.9816 9.5262 9.5262 9.8777 9.8777 9.9755 9.9755 k = 0.0000 0.0000 0.2490 ( 8660 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9018 -34.9018 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1842 -7.1842 -6.9882 -6.9882 -5.2893 -5.2893 -5.1282 -5.1282 -5.0464 -5.0464 -4.8629 -4.8629 -0.0828 -0.0828 0.7363 0.7363 4.4869 4.4869 6.3341 6.3341 6.3660 6.3660 6.4154 6.4154 7.3551 7.3551 7.8875 7.8875 7.9091 7.9091 7.9920 7.9920 9.5826 9.5826 9.8801 9.8801 9.9758 9.9758 k = 0.0000 0.0000 0.2636 ( 8656 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1839 -7.1839 -6.9886 -6.9886 -5.2883 -5.2883 -5.1281 -5.1281 -5.0478 -5.0478 -4.8630 -4.8630 -0.0716 -0.0716 0.7267 0.7267 4.4796 4.4796 6.3190 6.3190 6.3614 6.3614 6.4128 6.4128 7.3733 7.3733 7.8604 7.8604 7.9164 7.9164 7.9996 7.9996 9.6249 9.6249 9.8823 9.8823 9.9761 9.9761 k = 0.0000 0.0000 0.2782 ( 8668 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1837 -7.1837 -6.9888 -6.9888 -5.2877 -5.2877 -5.1281 -5.1281 -5.0487 -5.0487 -4.8631 -4.8631 -0.0647 -0.0647 0.7208 0.7208 4.4753 4.4753 6.3095 6.3095 6.3590 6.3590 6.4112 6.4112 7.3854 7.3854 7.8429 7.8429 7.9209 7.9209 8.0043 8.0043 9.6510 9.6510 9.8839 9.8839 9.9763 9.9763 k = 0.0000 0.0000 0.2929 ( 8684 PWs) bands (ev): -67.9585 -67.9585 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6107 -34.6107 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1837 -7.1837 -6.9889 -6.9889 -5.2875 -5.2875 -5.1281 -5.1281 -5.0490 -5.0490 -4.8631 -4.8631 -0.0623 -0.0623 0.7187 0.7187 4.4738 4.4738 6.3063 6.3063 6.3583 6.3583 6.4106 6.4106 7.3896 7.3896 7.8368 7.8368 7.9224 7.9224 8.0058 8.0058 9.6598 9.6598 9.8844 9.8844 9.9764 9.9764 k = 0.0000 0.0000 0.2929 ( 8684 PWs) bands (ev): -67.9585 -67.9585 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6107 -34.6107 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1837 -7.1837 -6.9889 -6.9889 -5.2875 -5.2875 -5.1281 -5.1281 -5.0490 -5.0490 -4.8631 -4.8631 -0.0623 -0.0623 0.7187 0.7187 4.4738 4.4738 6.3063 6.3063 6.3583 6.3583 6.4106 6.4106 7.3896 7.3896 7.8368 7.8368 7.9224 7.9224 8.0058 8.0058 9.6598 9.6598 9.8844 9.8844 9.9764 9.9764 k = 0.0000 0.0143 0.2929 ( 8664 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4492 -20.4492 -20.3736 -20.3736 -7.1837 -7.1837 -6.9891 -6.9891 -5.2875 -5.2875 -5.1290 -5.1290 -5.0484 -5.0484 -4.8635 -4.8635 -0.0613 -0.0613 0.7199 0.7199 4.4749 4.4749 6.2485 6.2485 6.3772 6.3772 6.4428 6.4428 7.3854 7.3854 7.8460 7.8460 7.9224 7.9224 8.0052 8.0052 9.6594 9.6594 9.8788 9.8788 9.9698 9.9698 k = 0.0000 0.0286 0.2929 ( 8656 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4491 -20.4491 -20.3737 -20.3737 -7.1837 -7.1837 -6.9898 -6.9898 -5.2874 -5.2874 -5.1315 -5.1315 -5.0465 -5.0465 -4.8646 -4.8646 -0.0582 -0.0582 0.7234 0.7234 4.4782 4.4782 6.1604 6.1604 6.3818 6.3818 6.5067 6.5067 7.3727 7.3727 7.8731 7.8731 7.9225 7.9225 8.0037 8.0037 9.6582 9.6582 9.8624 9.8624 9.9505 9.9505 k = 0.0000 0.0429 0.2929 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6130 -34.6130 -34.6106 -34.6106 -34.6030 -34.6030 -20.4488 -20.4488 -20.3738 -20.3738 -7.1838 -7.1838 -6.9908 -6.9908 -5.2873 -5.2873 -5.1355 -5.1355 -5.0438 -5.0438 -4.8664 -4.8664 -0.0532 -0.0532 0.7292 0.7292 4.4837 4.4837 6.0648 6.0648 6.3828 6.3828 6.5699 6.5699 7.3513 7.3513 7.9155 7.9155 7.9230 7.9230 8.0028 8.0028 9.6560 9.6560 9.8368 9.8368 9.9208 9.9208 k = 0.0000 0.0571 0.2929 ( 8654 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6130 -34.6130 -34.6107 -34.6107 -34.6030 -34.6030 -20.4484 -20.4484 -20.3739 -20.3739 -7.1839 -7.1839 -6.9924 -6.9924 -5.2872 -5.2872 -5.1406 -5.1406 -5.0404 -5.0404 -4.8690 -4.8690 -0.0461 -0.0461 0.7372 0.7372 4.4913 4.4913 5.9646 5.9646 6.3830 6.3830 6.6281 6.6281 7.3211 7.3211 7.9173 7.9173 7.9762 7.9762 8.0054 8.0054 9.6527 9.6527 9.8042 9.8042 9.8831 9.8831 k = 0.0000 0.0714 0.2929 ( 8650 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8948 -34.8948 -34.6150 -34.6150 -34.6130 -34.6130 -34.6107 -34.6107 -34.6031 -34.6031 -20.4478 -20.4478 -20.3740 -20.3740 -7.1840 -7.1840 -6.9943 -6.9943 -5.2871 -5.2871 -5.1466 -5.1466 -5.0367 -5.0367 -4.8721 -4.8721 -0.0370 -0.0370 0.7474 0.7474 4.5010 4.5010 5.8613 5.8613 6.3830 6.3830 6.6811 6.6811 7.2821 7.2821 7.9085 7.9085 8.0126 8.0126 8.0492 8.0492 9.6477 9.6477 9.7668 9.7668 9.8401 9.8401 k = 0.0000 0.0857 0.2929 ( 8648 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8949 -34.8949 -34.6150 -34.6150 -34.6130 -34.6130 -34.6107 -34.6107 -34.6032 -34.6032 -20.4472 -20.4472 -20.3742 -20.3742 -7.1842 -7.1842 -6.9966 -6.9966 -5.2871 -5.2871 -5.1530 -5.1530 -5.0329 -5.0329 -4.8757 -4.8757 -0.0259 -0.0259 0.7596 0.7596 4.5126 4.5126 5.7562 5.7562 6.3829 6.3829 6.7295 6.7295 7.2347 7.2347 7.8937 7.8937 8.0284 8.0284 8.1315 8.1315 9.6407 9.6407 9.7267 9.7267 9.7943 9.7943 k = 0.0000 0.1000 0.2929 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9016 -34.9016 -34.8949 -34.8949 -34.6149 -34.6149 -34.6130 -34.6130 -34.6107 -34.6107 -34.6032 -34.6032 -20.4464 -20.4464 -20.3744 -20.3744 -7.1844 -7.1844 -6.9994 -6.9994 -5.2871 -5.2871 -5.1598 -5.1598 -5.0292 -5.0292 -4.8799 -4.8799 -0.0129 -0.0129 0.7737 0.7737 4.5261 4.5261 5.6501 5.6501 6.3828 6.3828 6.7741 6.7741 7.1796 7.1796 7.8731 7.8731 8.0515 8.0515 8.2221 8.2221 9.6303 9.6303 9.6857 9.6857 9.7481 9.7481 k = 0.0000 0.1143 0.2929 ( 8646 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6148 -34.6148 -34.6130 -34.6130 -34.6107 -34.6107 -34.6033 -34.6033 -20.4456 -20.4456 -20.3747 -20.3747 -7.1845 -7.1845 -7.0025 -7.0025 -5.2873 -5.2873 -5.1667 -5.1667 -5.0257 -5.0257 -4.8844 -4.8844 0.0020 0.0020 0.7896 0.7896 4.5413 4.5413 5.5440 5.5440 6.3828 6.3828 6.8157 6.8157 7.1180 7.1180 7.8473 7.8473 8.0812 8.0812 8.3185 8.3185 9.6138 9.6138 9.6463 9.6463 9.7041 9.7041 k = 0.0000 0.1286 0.2929 ( 8650 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6147 -34.6147 -34.6130 -34.6130 -34.6107 -34.6107 -34.6034 -34.6034 -20.4446 -20.4446 -20.3750 -20.3750 -7.1847 -7.1847 -7.0060 -7.0060 -5.2877 -5.2877 -5.1736 -5.1736 -5.0226 -5.0226 -4.8891 -4.8891 0.0189 0.0189 0.8070 0.8070 4.5581 4.5581 5.4384 5.4384 6.3827 6.3827 6.8545 6.8545 7.0514 7.0514 7.8169 7.8169 8.1169 8.1169 8.4182 8.4182 9.5839 9.5839 9.6146 9.6146 9.6645 9.6645 k = 0.0000 0.1429 0.2929 ( 8664 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9014 -34.9014 -34.8951 -34.8951 -34.6146 -34.6146 -34.6130 -34.6130 -34.6107 -34.6107 -34.6036 -34.6036 -20.4436 -20.4436 -20.3753 -20.3753 -7.1849 -7.1849 -7.0099 -7.0099 -5.2883 -5.2883 -5.1805 -5.1805 -5.0199 -5.0199 -4.8940 -4.8940 0.0376 0.0376 0.8257 0.8257 4.5762 4.5762 5.3342 5.3342 6.3828 6.3828 6.8885 6.8885 6.9834 6.9834 7.7823 7.7823 8.1579 8.1579 8.5188 8.5188 9.5423 9.5423 9.5877 9.5877 9.6313 9.6313 k = 0.0000 0.1571 0.2929 ( 8658 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9013 -34.9013 -34.8952 -34.8952 -34.6145 -34.6145 -34.6129 -34.6129 -34.6108 -34.6108 -34.6037 -34.6037 -20.4424 -20.4424 -20.3757 -20.3757 -7.1851 -7.1851 -7.0141 -7.0141 -5.2892 -5.2892 -5.1871 -5.1871 -5.0176 -5.0176 -4.8990 -4.8990 0.0582 0.0582 0.8455 0.8455 4.5954 4.5954 5.2318 5.2318 6.3830 6.3830 6.8853 6.8853 6.9479 6.9479 7.7439 7.7439 8.2036 8.2036 8.6178 8.6178 9.4974 9.4974 9.5567 9.5567 9.6053 9.6053 k = 0.0000 0.1714 0.2929 ( 8666 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9013 -34.9013 -34.8953 -34.8953 -34.6144 -34.6144 -34.6129 -34.6129 -34.6108 -34.6108 -34.6038 -34.6038 -20.4412 -20.4412 -20.3761 -20.3761 -7.1852 -7.1852 -7.0187 -7.0187 -5.2905 -5.2905 -5.1935 -5.1935 -5.0159 -5.0159 -4.9038 -4.9038 0.0805 0.0805 0.8662 0.8662 4.6154 4.6154 5.1317 5.1317 6.3834 6.3834 6.8171 6.8171 6.9737 6.9737 7.7020 7.7020 8.2531 8.2531 8.7120 8.7120 9.4527 9.4527 9.5193 9.5193 9.5863 9.5863 k = 0.0000 0.1857 0.2929 ( 8662 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9012 -34.9012 -34.8953 -34.8953 -34.6142 -34.6142 -34.6129 -34.6129 -34.6108 -34.6108 -34.6040 -34.6040 -20.4399 -20.4399 -20.3766 -20.3766 -7.1853 -7.1853 -7.0235 -7.0235 -5.2921 -5.2921 -5.1995 -5.1995 -5.0147 -5.0147 -4.9085 -4.9085 0.1046 0.1046 0.8875 0.8875 4.6359 4.6359 5.0345 5.0345 6.3841 6.3841 6.7401 6.7401 7.0060 7.0060 7.6570 7.6570 8.3055 8.3055 8.7976 8.7976 9.4100 9.4100 9.4770 9.4770 9.5740 9.5740 k = 0.0000 0.2000 0.2929 ( 8646 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9011 -34.9011 -34.8954 -34.8954 -34.6140 -34.6140 -34.6128 -34.6128 -34.6109 -34.6109 -34.6041 -34.6041 -20.4384 -20.4384 -20.3771 -20.3771 -7.1854 -7.1854 -7.0286 -7.0286 -5.2941 -5.2941 -5.2052 -5.2052 -5.0140 -5.0140 -4.9129 -4.9129 0.1304 0.1304 0.9090 0.9090 4.6564 4.6564 4.9406 4.9406 6.3851 6.3851 6.6620 6.6620 7.0376 7.0376 7.6094 7.6094 8.3598 8.3598 8.8694 8.8694 9.3705 9.3705 9.4343 9.4343 9.5681 9.5681 k = 0.0000 0.2143 0.2929 ( 8642 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9010 -34.9010 -34.8955 -34.8955 -34.6139 -34.6139 -34.6128 -34.6128 -34.6109 -34.6109 -34.6043 -34.6043 -20.4370 -20.4370 -20.3777 -20.3777 -7.1854 -7.1854 -7.0340 -7.0340 -5.2964 -5.2964 -5.2107 -5.2107 -5.0137 -5.0137 -4.9170 -4.9170 0.1579 0.1579 0.9305 0.9305 4.6764 4.6764 4.8505 4.8505 6.3864 6.3864 6.5847 6.5847 7.0674 7.0674 7.5597 7.5597 8.4144 8.4144 8.9203 8.9203 9.3356 9.3356 9.3988 9.3988 9.5682 9.5682 k = 0.0000 0.2286 0.2929 ( 8638 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9009 -34.9009 -34.8956 -34.8956 -34.6137 -34.6137 -34.6128 -34.6128 -34.6109 -34.6109 -34.6045 -34.6045 -20.4354 -20.4354 -20.3783 -20.3783 -7.1853 -7.1853 -7.0396 -7.0396 -5.2991 -5.2991 -5.2159 -5.2159 -5.0138 -5.0138 -4.9207 -4.9207 0.1869 0.1869 0.9517 0.9517 4.6953 4.6953 4.7645 4.7645 6.3882 6.3882 6.5097 6.5097 7.0945 7.0945 7.5082 7.5082 8.4677 8.4677 8.9430 8.9430 9.3079 9.3079 9.3782 9.3782 9.5740 9.5740 k = 0.0000 0.2429 0.2929 ( 8646 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9008 -34.9008 -34.8957 -34.8957 -34.6135 -34.6135 -34.6127 -34.6127 -34.6110 -34.6110 -34.6047 -34.6047 -20.4338 -20.4338 -20.3790 -20.3790 -7.1852 -7.1852 -7.0453 -7.0453 -5.3020 -5.3020 -5.2208 -5.2208 -5.0142 -5.0142 -4.9241 -4.9241 0.2174 0.2174 0.9721 0.9721 4.6829 4.6829 4.7126 4.7126 6.3902 6.3902 6.4385 6.4385 7.1181 7.1181 7.4555 7.4555 8.5175 8.5175 8.9349 8.9349 9.2903 9.2903 9.3756 9.3756 9.5852 9.5852 k = 0.0000 0.2571 0.2929 ( 8648 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9007 -34.9007 -34.8958 -34.8958 -34.6133 -34.6133 -34.6127 -34.6127 -34.6110 -34.6110 -34.6049 -34.6049 -20.4321 -20.4321 -20.3797 -20.3797 -7.1849 -7.1849 -7.0513 -7.0513 -5.3051 -5.3051 -5.2257 -5.2257 -5.0147 -5.0147 -4.9272 -4.9272 0.2493 0.2493 0.9914 0.9914 4.6065 4.6065 4.7272 4.7272 6.3699 6.3699 6.3949 6.3949 7.1374 7.1374 7.4019 7.4019 8.5612 8.5612 8.9027 8.9027 9.2846 9.2846 9.3868 9.3868 9.6015 9.6015 k = 0.0000 0.2714 0.2929 ( 8642 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9005 -34.9005 -34.8960 -34.8960 -34.6131 -34.6131 -34.6127 -34.6127 -34.6111 -34.6111 -34.6051 -34.6051 -20.4304 -20.4304 -20.3805 -20.3805 -7.1845 -7.1845 -7.0574 -7.0574 -5.3082 -5.3082 -5.2306 -5.2306 -5.0151 -5.0151 -4.9301 -4.9301 0.2826 0.2826 1.0092 1.0092 4.5355 4.5355 4.7384 4.7384 6.3097 6.3097 6.3979 6.3979 7.1513 7.1513 7.3480 7.3480 8.5966 8.5966 8.8572 8.8572 9.2921 9.2921 9.4049 9.4049 9.6227 9.6227 k = 0.0000 0.2857 0.2929 ( 8654 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9004 -34.9004 -34.8961 -34.8961 -34.6129 -34.6129 -34.6126 -34.6126 -34.6111 -34.6111 -34.6053 -34.6053 -20.4286 -20.4286 -20.3813 -20.3813 -7.1840 -7.1840 -7.0636 -7.0636 -5.3113 -5.3113 -5.2355 -5.2355 -5.0154 -5.0154 -4.9328 -4.9328 0.3171 0.3171 1.0252 1.0252 4.4701 4.4701 4.7453 4.7453 6.2562 6.2562 6.4023 6.4023 7.1591 7.1591 7.2941 7.2941 8.6220 8.6220 8.8068 8.8068 9.3133 9.3133 9.4248 9.4248 9.6483 9.6483 k = 0.0000 0.3000 0.2929 ( 8636 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9003 -34.9003 -34.8962 -34.8962 -34.6127 -34.6127 -34.6126 -34.6126 -34.6111 -34.6111 -34.6055 -34.6055 -20.4268 -20.4268 -20.3822 -20.3822 -7.1833 -7.1833 -7.0699 -7.0699 -5.3143 -5.3143 -5.2406 -5.2406 -5.0155 -5.0155 -4.9354 -4.9354 0.3528 0.3528 1.0390 1.0390 4.4108 4.4108 4.7470 4.7470 6.2109 6.2109 6.4078 6.4078 7.1596 7.1596 7.2406 7.2406 8.6371 8.6371 8.7569 8.7569 9.3479 9.3479 9.4444 9.4444 9.6782 9.6782 k = 0.0000 0.3143 0.2929 ( 8646 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9002 -34.9002 -34.8963 -34.8963 -34.6125 -34.6125 -34.6125 -34.6125 -34.6112 -34.6112 -34.6057 -34.6057 -20.4250 -20.4250 -20.3831 -20.3831 -7.1825 -7.1825 -7.0762 -7.0762 -5.3171 -5.3171 -5.2458 -5.2458 -5.0152 -5.0152 -4.9379 -4.9379 0.3896 0.3896 1.0502 1.0502 4.3580 4.3580 4.7427 4.7427 6.1752 6.1752 6.4143 6.4143 7.1519 7.1519 7.1881 7.1881 8.6429 8.6429 8.7109 8.7109 9.3937 9.3937 9.4634 9.4634 9.7121 9.7121 k = 0.0000 0.3286 0.2929 ( 8652 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9001 -34.9001 -34.8965 -34.8965 -34.6125 -34.6125 -34.6123 -34.6123 -34.6112 -34.6112 -34.6060 -34.6060 -20.4231 -20.4231 -20.3842 -20.3842 -7.1814 -7.1814 -7.0826 -7.0826 -5.3195 -5.3195 -5.2511 -5.2511 -5.0145 -5.0145 -4.9405 -4.9405 0.4272 0.4272 1.0585 1.0585 4.3119 4.3119 4.7319 4.7319 6.1496 6.1496 6.4219 6.4219 7.1300 7.1300 7.1425 7.1425 8.6405 8.6405 8.6712 8.6712 9.4476 9.4476 9.4823 9.4823 9.7496 9.7496 k = 0.0000 0.3429 0.2929 ( 8656 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.8999 -34.8999 -34.8966 -34.8966 -34.6125 -34.6125 -34.6120 -34.6120 -34.6113 -34.6113 -34.6062 -34.6062 -20.4212 -20.4212 -20.3852 -20.3852 -7.1802 -7.1802 -7.0889 -7.0889 -5.3217 -5.3217 -5.2567 -5.2567 -5.0134 -5.0134 -4.9431 -4.9431 0.4657 0.4657 1.0637 1.0637 4.2727 4.2727 4.7144 4.7144 6.1348 6.1348 6.4308 6.4308 7.0826 7.0826 7.1152 7.1152 8.6268 8.6268 8.6440 8.6440 9.5014 9.5014 9.5066 9.5066 9.7905 9.7905 k = 0.0000 0.3571 0.2929 ( 8662 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8998 -34.8998 -34.8967 -34.8967 -34.6124 -34.6124 -34.6118 -34.6118 -34.6113 -34.6113 -34.6065 -34.6065 -20.4193 -20.4193 -20.3864 -20.3864 -7.1788 -7.1788 -7.0952 -7.0952 -5.3234 -5.3234 -5.2623 -5.2623 -5.0119 -5.0119 -4.9458 -4.9458 0.5048 0.5048 1.0654 1.0654 4.2407 4.2407 4.6905 4.6905 6.1306 6.1306 6.4411 6.4411 7.0333 7.0333 7.0830 7.0830 8.6023 8.6023 8.6306 8.6306 9.5221 9.5221 9.5666 9.5666 9.8347 9.8347 k = 0.0000 0.3714 0.2929 ( 8642 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8996 -34.8996 -34.8969 -34.8969 -34.6124 -34.6124 -34.6115 -34.6115 -34.6114 -34.6114 -34.6067 -34.6067 -20.4174 -20.4174 -20.3875 -20.3875 -7.1771 -7.1771 -7.1014 -7.1014 -5.3247 -5.3247 -5.2680 -5.2680 -5.0099 -5.0099 -4.9486 -4.9486 0.5444 0.5444 1.0636 1.0636 4.2159 4.2159 4.6606 4.6606 6.1369 6.1369 6.4527 6.4527 6.9852 6.9852 7.0436 7.0436 8.5806 8.5806 8.6188 8.6188 9.5442 9.5442 9.6253 9.6253 9.8816 9.8816 k = 0.0000 0.3857 0.2929 ( 8654 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8995 -34.8995 -34.8970 -34.8970 -34.6123 -34.6123 -34.6115 -34.6115 -34.6113 -34.6113 -34.6070 -34.6070 -20.4155 -20.4155 -20.3888 -20.3888 -7.1751 -7.1751 -7.1075 -7.1075 -5.3255 -5.3255 -5.2737 -5.2737 -5.0075 -5.0075 -4.9516 -4.9516 0.5843 0.5843 1.0580 1.0580 4.1984 4.1984 4.6257 4.6257 6.1528 6.1528 6.4660 6.4660 6.9388 6.9388 6.9976 6.9976 8.5637 8.5637 8.6068 8.6068 9.5684 9.5684 9.6795 9.6795 9.9312 9.9312 k = 0.0000 0.4000 0.2929 ( 8648 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8993 -34.8993 -34.8972 -34.8972 -34.6123 -34.6123 -34.6115 -34.6115 -34.6110 -34.6110 -34.6072 -34.6072 -20.4136 -20.4136 -20.3901 -20.3901 -7.1729 -7.1729 -7.1135 -7.1135 -5.3257 -5.3257 -5.2794 -5.2794 -5.0048 -5.0048 -4.9547 -4.9547 0.6244 0.6244 1.0486 1.0486 4.1882 4.1882 4.5868 4.5868 6.1775 6.1775 6.4808 6.4808 6.8940 6.8940 6.9461 6.9461 8.5513 8.5513 8.5949 8.5949 9.5946 9.5946 9.7271 9.7271 9.9830 9.9830 k = 0.0000 0.4143 0.2929 ( 8648 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8992 -34.8992 -34.8973 -34.8973 -34.6122 -34.6122 -34.6116 -34.6116 -34.6108 -34.6108 -34.6075 -34.6075 -20.4117 -20.4117 -20.3915 -20.3915 -7.1705 -7.1705 -7.1193 -7.1193 -5.3255 -5.3255 -5.2850 -5.2850 -5.0018 -5.0018 -4.9579 -4.9579 0.6643 0.6643 1.0355 1.0355 4.1851 4.1851 4.5451 4.5451 6.2100 6.2100 6.4974 6.4974 6.8512 6.8512 6.8901 6.8901 8.5425 8.5425 8.5836 8.5836 9.6227 9.6227 9.7660 9.7660 10.0365 10.0365 k = 0.0000 0.4286 0.2929 ( 8648 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8990 -34.8990 -34.8975 -34.8975 -34.6122 -34.6122 -34.6116 -34.6116 -34.6105 -34.6105 -34.6078 -34.6078 -20.4098 -20.4098 -20.3929 -20.3929 -7.1677 -7.1677 -7.1250 -7.1250 -5.3247 -5.3247 -5.2904 -5.2904 -4.9985 -4.9985 -4.9613 -4.9613 0.7039 0.7039 1.0187 1.0187 4.1889 4.1889 4.5018 4.5018 6.2494 6.2494 6.5158 6.5158 6.8103 6.8103 6.8307 6.8307 8.5368 8.5368 8.5731 8.5731 9.6523 9.6523 9.7951 9.7951 10.0913 10.0913 k = 0.0000 0.4429 0.2929 ( 8662 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8989 -34.8989 -34.8976 -34.8976 -34.6121 -34.6121 -34.6117 -34.6117 -34.6102 -34.6102 -34.6081 -34.6081 -20.4079 -20.4079 -20.3944 -20.3944 -7.1647 -7.1647 -7.1304 -7.1304 -5.3234 -5.3234 -5.2956 -5.2956 -4.9950 -4.9950 -4.9648 -4.9648 0.7429 0.7429 0.9984 0.9984 4.1993 4.1993 4.4581 4.4581 6.2946 6.2946 6.5360 6.5360 6.7688 6.7688 6.7715 6.7715 8.5336 8.5336 8.5637 8.5637 9.6827 9.6827 9.8136 9.8136 10.1465 10.1465 k = 0.0000 0.4571 0.2929 ( 8666 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8987 -34.8987 -34.8978 -34.8978 -34.6121 -34.6121 -34.6117 -34.6117 -34.6100 -34.6100 -34.6083 -34.6083 -20.4061 -20.4061 -20.3959 -20.3959 -7.1614 -7.1614 -7.1356 -7.1356 -5.3216 -5.3216 -5.3005 -5.3005 -4.9914 -4.9914 -4.9685 -4.9685 0.7811 0.7811 0.9749 0.9749 4.2159 4.2159 4.4149 4.4149 6.3448 6.3448 6.5582 6.5582 6.7058 6.7058 6.7347 6.7347 8.5323 8.5323 8.5554 8.5554 9.7131 9.7131 9.8216 9.8216 10.2010 10.2010 k = 0.0000 0.4714 0.2929 ( 8658 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8986 -34.8986 -34.8979 -34.8979 -34.6120 -34.6120 -34.6118 -34.6118 -34.6097 -34.6097 -34.6086 -34.6086 -20.4043 -20.4043 -20.3975 -20.3975 -7.1578 -7.1578 -7.1406 -7.1406 -5.3192 -5.3192 -5.3051 -5.3051 -4.9876 -4.9876 -4.9722 -4.9722 0.8181 0.8181 0.9484 0.9484 4.2382 4.2382 4.3732 4.3732 6.3991 6.3991 6.5824 6.5824 6.6423 6.6423 6.7000 6.7000 8.5328 8.5328 8.5483 8.5483 9.7424 9.7424 9.8198 9.8198 10.2530 10.2530 k = 0.0000 0.4857 0.2929 ( 8652 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8984 -34.8984 -34.8981 -34.8981 -34.6119 -34.6119 -34.6118 -34.6118 -34.6094 -34.6094 -34.6089 -34.6089 -20.4025 -20.4025 -20.3991 -20.3991 -7.1539 -7.1539 -7.1453 -7.1453 -5.3164 -5.3164 -5.3093 -5.3093 -4.9838 -4.9838 -4.9760 -4.9760 0.8536 0.8536 0.9191 0.9191 4.2657 4.2657 4.3339 4.3339 6.4567 6.4567 6.5790 6.5790 6.6087 6.6087 6.6674 6.6674 8.5347 8.5347 8.5425 8.5425 9.7692 9.7692 9.8095 9.8095 10.2994 10.2994 k = 0.0000 0.5000 0.2929 ( 8656 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1497 -7.1497 -7.1497 -7.1497 -5.3130 -5.3130 -5.3130 -5.3130 -4.9799 -4.9799 -4.9799 -4.9799 0.8874 0.8874 0.8874 0.8874 4.2978 4.2978 4.2978 4.2978 6.5170 6.5170 6.5170 6.5170 6.6370 6.6370 6.6370 6.6370 8.5379 8.5379 8.5379 8.5379 9.7921 9.7921 9.7921 9.7921 10.3362 10.3362 k = 0.0000 0.5000 0.2929 ( 8656 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1497 -7.1497 -7.1497 -7.1497 -5.3130 -5.3130 -5.3130 -5.3130 -4.9799 -4.9799 -4.9799 -4.9799 0.8874 0.8874 0.8874 0.8874 4.2978 4.2978 4.2978 4.2978 6.5170 6.5170 6.5170 6.5170 6.6370 6.6370 6.6370 6.6370 8.5379 8.5379 8.5379 8.5379 9.7921 9.7921 9.7921 9.7921 10.3362 10.3362 k = 0.0143 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1499 -7.1499 -7.1496 -7.1496 -5.3176 -5.3176 -5.3083 -5.3083 -4.9852 -4.9852 -4.9753 -4.9753 0.8873 0.8873 0.8879 0.8879 4.2970 4.2970 4.2987 4.2987 6.5151 6.5151 6.5169 6.5169 6.6355 6.6355 6.6367 6.6367 8.5359 8.5359 8.5360 8.5360 9.7883 9.7883 9.7932 9.7932 10.3342 10.3342 k = 0.0286 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4007 -20.4007 -20.4007 -20.4007 -7.1501 -7.1501 -7.1496 -7.1496 -5.3221 -5.3221 -5.3035 -5.3035 -4.9911 -4.9911 -4.9713 -4.9713 0.8876 0.8876 0.8888 0.8888 4.2962 4.2962 4.2997 4.2997 6.5114 6.5114 6.5151 6.5151 6.6323 6.6323 6.6346 6.6346 8.5300 8.5300 8.5303 8.5303 9.7820 9.7820 9.7915 9.7915 10.3372 10.3372 k = 0.0429 0.5000 0.2929 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6120 -34.6120 -34.6120 -34.6120 -34.6090 -34.6090 -34.6090 -34.6090 -20.4006 -20.4006 -20.4006 -20.4006 -7.1505 -7.1505 -7.1497 -7.1497 -5.3264 -5.3264 -5.2986 -5.2986 -4.9977 -4.9977 -4.9680 -4.9680 0.8883 0.8883 0.8901 0.8901 4.2955 4.2955 4.3007 4.3007 6.5061 6.5061 6.5119 6.5119 6.6273 6.6273 6.6304 6.6304 8.5203 8.5203 8.5211 8.5211 9.7739 9.7739 9.7876 9.7876 10.3451 10.3451 k = 0.0571 0.5000 0.2929 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6121 -34.6121 -34.6121 -34.6121 -34.6090 -34.6090 -34.6089 -34.6089 -20.4005 -20.4005 -20.4005 -20.4005 -7.1509 -7.1509 -7.1498 -7.1498 -5.3306 -5.3306 -5.2936 -5.2936 -5.0048 -5.0048 -4.9653 -4.9653 0.8894 0.8894 0.8918 0.8918 4.2949 4.2949 4.3016 4.3016 6.4993 6.4993 6.5075 6.5075 6.6201 6.6201 6.6238 6.6238 8.5074 8.5074 8.5088 8.5088 9.7648 9.7648 9.7820 9.7820 10.3571 10.3571 k = 0.0714 0.5000 0.2929 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6122 -34.6122 -34.6122 -34.6122 -34.6089 -34.6089 -34.6088 -34.6088 -20.4003 -20.4003 -20.4003 -20.4003 -7.1513 -7.1513 -7.1501 -7.1501 -5.3346 -5.3346 -5.2884 -5.2884 -5.0125 -5.0125 -4.9634 -4.9634 0.8908 0.8908 0.8938 0.8938 4.2943 4.2943 4.3026 4.3026 6.4914 6.4914 6.5024 6.5024 6.6105 6.6105 6.6144 6.6144 8.4917 8.4917 8.4941 8.4941 9.7558 9.7558 9.7758 9.7758 10.3728 10.3728 k = 0.0857 0.5000 0.2929 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6123 -34.6123 -34.6123 -34.6123 -34.6087 -34.6087 -34.6087 -34.6087 -20.4001 -20.4001 -20.4001 -20.4001 -7.1518 -7.1518 -7.1504 -7.1504 -5.3384 -5.3384 -5.2832 -5.2832 -5.0208 -5.0208 -4.9620 -4.9620 0.8926 0.8926 0.8961 0.8961 4.2939 4.2939 4.3035 4.3035 6.4827 6.4827 6.4968 6.4968 6.5982 6.5982 6.6021 6.6021 8.4739 8.4739 8.4776 8.4776 9.7475 9.7475 9.7695 9.7695 10.3914 10.3914 k = 0.1000 0.5000 0.2929 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6125 -34.6125 -34.6124 -34.6124 -34.6086 -34.6086 -34.6086 -34.6086 -20.3998 -20.3998 -20.3998 -20.3998 -7.1524 -7.1524 -7.1508 -7.1508 -5.3421 -5.3421 -5.2779 -5.2779 -5.0296 -5.0296 -4.9613 -4.9613 0.8947 0.8947 0.8988 0.8988 4.2935 4.2935 4.3043 4.3043 6.4734 6.4734 6.4909 6.4909 6.5832 6.5832 6.5866 6.5866 8.4547 8.4547 8.4599 8.4599 9.7407 9.7407 9.7641 9.7641 10.4124 10.4124 k = 0.1143 0.5000 0.2929 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6126 -34.6126 -34.6125 -34.6125 -34.6085 -34.6085 -34.6084 -34.6084 -20.3995 -20.3995 -20.3995 -20.3995 -7.1531 -7.1531 -7.1512 -7.1512 -5.3456 -5.3456 -5.2725 -5.2725 -5.0388 -5.0388 -4.9612 -4.9612 0.8971 0.8971 0.9016 0.9016 4.2931 4.2931 4.3050 4.3050 6.4637 6.4637 6.4850 6.4850 6.5653 6.5653 6.5679 6.5679 8.4347 8.4347 8.4419 8.4419 9.7362 9.7362 9.7603 9.7603 10.4353 10.4353 k = 0.1286 0.5000 0.2929 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6127 -34.6127 -34.6127 -34.6127 -34.6083 -34.6083 -34.6083 -34.6083 -20.3992 -20.3992 -20.3992 -20.3992 -7.1538 -7.1538 -7.1518 -7.1518 -5.3488 -5.3488 -5.2671 -5.2671 -5.0484 -5.0484 -4.9617 -4.9617 0.8998 0.8998 0.9047 0.9047 4.2928 4.2928 4.3056 4.3056 6.4533 6.4533 6.4785 6.4785 6.5448 6.5448 6.5465 6.5465 8.4149 8.4149 8.4242 8.4242 9.7343 9.7343 9.7586 9.7586 10.4594 10.4594 k = 0.1429 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6129 -34.6129 -34.6128 -34.6128 -34.6082 -34.6082 -34.6082 -34.6082 -20.3989 -20.3989 -20.3989 -20.3989 -7.1546 -7.1546 -7.1524 -7.1524 -5.3519 -5.3519 -5.2615 -5.2615 -5.0584 -5.0584 -4.9627 -4.9627 0.9027 0.9027 0.9080 0.9080 4.2926 4.2926 4.3062 4.3062 6.4415 6.4415 6.4704 6.4704 6.5227 6.5227 6.5236 6.5236 8.3958 8.3958 8.4074 8.4074 9.7355 9.7355 9.7597 9.7597 10.4843 10.4843 k = 0.1571 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6130 -34.6130 -34.6130 -34.6130 -34.6081 -34.6081 -34.6080 -34.6080 -20.3985 -20.3985 -20.3985 -20.3985 -7.1555 -7.1555 -7.1531 -7.1531 -5.3546 -5.3546 -5.2559 -5.2559 -5.0687 -5.0687 -4.9643 -4.9643 0.9057 0.9057 0.9114 0.9114 4.2925 4.2925 4.3067 4.3067 6.4268 6.4268 6.4567 6.4567 6.5006 6.5006 6.5032 6.5032 8.3781 8.3781 8.3921 8.3921 9.7402 9.7402 9.7640 9.7640 10.5094 10.5094 k = 0.1714 0.5000 0.2929 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6132 -34.6132 -34.6131 -34.6131 -34.6079 -34.6079 -34.6079 -34.6079 -20.3981 -20.3981 -20.3981 -20.3981 -7.1564 -7.1564 -7.1539 -7.1539 -5.3572 -5.3572 -5.2503 -5.2503 -5.0793 -5.0793 -4.9664 -4.9664 0.9089 0.9089 0.9149 0.9149 4.2926 4.2926 4.3072 4.3072 6.4066 6.4066 6.4327 6.4327 6.4813 6.4813 6.4903 6.4903 8.3625 8.3625 8.3788 8.3788 9.7487 9.7487 9.7720 9.7720 10.5343 10.5343 k = 0.1857 0.5000 0.2929 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6133 -34.6133 -34.6133 -34.6133 -34.6078 -34.6078 -34.6077 -34.6077 -20.3977 -20.3977 -20.3977 -20.3977 -7.1574 -7.1574 -7.1548 -7.1548 -5.3595 -5.3595 -5.2447 -5.2447 -5.0900 -5.0900 -4.9689 -4.9689 0.9123 0.9123 0.9185 0.9185 4.2929 4.2929 4.3077 4.3077 6.3789 6.3789 6.3995 6.3995 6.4667 6.4667 6.4838 6.4838 8.3494 8.3494 8.3679 8.3679 9.7613 9.7613 9.7839 9.7839 10.5585 10.5585 k = 0.2000 0.5000 0.2929 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6134 -34.6134 -34.6134 -34.6134 -34.6076 -34.6076 -34.6076 -34.6076 -20.3972 -20.3972 -20.3972 -20.3972 -7.1584 -7.1584 -7.1557 -7.1557 -5.3615 -5.3615 -5.2390 -5.2390 -5.1008 -5.1008 -4.9719 -4.9719 0.9156 0.9156 0.9221 0.9221 4.2935 4.2935 4.3084 4.3084 6.3445 6.3445 6.3607 6.3607 6.4567 6.4567 6.4802 6.4802 8.3392 8.3392 8.3597 8.3597 9.7781 9.7781 9.8002 9.8002 10.5815 10.5816 k = 0.2143 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6136 -34.6136 -34.6135 -34.6135 -34.6075 -34.6075 -34.6075 -34.6075 -20.3968 -20.3968 -20.3968 -20.3968 -7.1594 -7.1594 -7.1567 -7.1567 -5.3631 -5.3631 -5.2334 -5.2334 -5.1117 -5.1117 -4.9753 -4.9753 0.9191 0.9191 0.9256 0.9256 4.2945 4.2945 4.3094 4.3094 6.3049 6.3049 6.3182 6.3182 6.4496 6.4496 6.4780 6.4780 8.3322 8.3322 8.3544 8.3544 9.7993 9.7993 9.8210 9.8210 10.6031 10.6031 k = 0.2286 0.5000 0.2929 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6137 -34.6137 -34.6137 -34.6137 -34.6074 -34.6074 -34.6073 -34.6073 -20.3963 -20.3963 -20.3963 -20.3963 -7.1605 -7.1605 -7.1577 -7.1577 -5.3645 -5.3645 -5.2278 -5.2278 -5.1225 -5.1225 -4.9791 -4.9791 0.9225 0.9225 0.9291 0.9291 4.2960 4.2960 4.3107 4.3107 6.2617 6.2617 6.2728 6.2728 6.4444 6.4444 6.4764 6.4764 8.3287 8.3287 8.3521 8.3521 9.8251 9.8251 9.8466 9.8466 10.6227 10.6227 k = 0.2429 0.5000 0.2929 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6138 -34.6138 -34.6138 -34.6138 -34.6072 -34.6072 -34.6072 -34.6072 -20.3959 -20.3959 -20.3959 -20.3959 -7.1616 -7.1616 -7.1588 -7.1588 -5.3655 -5.3655 -5.2224 -5.2224 -5.1331 -5.1331 -4.9833 -4.9833 0.9258 0.9258 0.9325 0.9325 4.2980 4.2980 4.3124 4.3124 6.2156 6.2156 6.2251 6.2251 6.4403 6.4403 6.4750 6.4750 8.3287 8.3287 8.3529 8.3529 9.8555 9.8555 9.8771 9.8771 10.6403 10.6403 k = 0.2571 0.5000 0.2929 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6139 -34.6139 -34.6139 -34.6139 -34.6071 -34.6071 -34.6071 -34.6071 -20.3954 -20.3954 -20.3954 -20.3954 -7.1627 -7.1627 -7.1599 -7.1599 -5.3662 -5.3662 -5.2174 -5.2174 -5.1433 -5.1433 -4.9878 -4.9878 0.9291 0.9291 0.9358 0.9358 4.3006 4.3006 4.3147 4.3147 6.1676 6.1676 6.1758 6.1758 6.4370 6.4370 6.4736 6.4736 8.3323 8.3323 8.3568 8.3568 9.8907 9.8907 9.9127 9.9127 10.6555 10.6555 k = 0.2714 0.5000 0.2929 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8983 -34.8983 -34.6141 -34.6141 -34.6140 -34.6140 -34.6070 -34.6070 -34.6070 -34.6070 -20.3949 -20.3949 -20.3949 -20.3949 -7.1639 -7.1639 -7.1611 -7.1611 -5.3665 -5.3665 -5.2129 -5.2129 -5.1527 -5.1527 -4.9925 -4.9925 0.9323 0.9323 0.9388 0.9388 4.3039 4.3039 4.3176 4.3176 6.1182 6.1182 6.1253 6.1253 6.4342 6.4342 6.4719 6.4719 8.3393 8.3393 8.3636 8.3636 9.9307 9.9307 9.9533 9.9533 10.6684 10.6684 k = 0.2857 0.5000 0.2929 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6142 -34.6142 -34.6141 -34.6141 -34.6069 -34.6069 -34.6068 -34.6068 -20.3945 -20.3945 -20.3945 -20.3945 -7.1650 -7.1650 -7.1623 -7.1623 -5.3665 -5.3665 -5.2098 -5.2098 -5.1607 -5.1607 -4.9976 -4.9976 0.9353 0.9353 0.9418 0.9418 4.3080 4.3080 4.3211 4.3211 6.0679 6.0679 6.0741 6.0741 6.4317 6.4317 6.4699 6.4699 8.3494 8.3494 8.3731 8.3731 9.9753 9.9753 9.9990 9.9990 10.6788 10.6788 k = 0.3000 0.5000 0.2929 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6143 -34.6143 -34.6142 -34.6142 -34.6068 -34.6068 -34.6067 -34.6067 -20.3940 -20.3940 -20.3940 -20.3940 -7.1661 -7.1661 -7.1635 -7.1635 -5.3660 -5.3660 -5.2090 -5.2090 -5.1662 -5.1662 -5.0029 -5.0029 0.9382 0.9382 0.9445 0.9445 4.3129 4.3129 4.3254 4.3254 6.0173 6.0173 6.0227 6.0227 6.4292 6.4292 6.4674 6.4674 8.3625 8.3625 8.3851 8.3851 10.0246 10.0246 10.0496 10.0496 10.6869 10.6869 k = 0.3143 0.5000 0.2929 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6144 -34.6144 -34.6143 -34.6143 -34.6067 -34.6067 -34.6066 -34.6066 -20.3936 -20.3936 -20.3936 -20.3936 -7.1672 -7.1672 -7.1647 -7.1647 -5.3652 -5.3652 -5.2115 -5.2115 -5.1681 -5.1681 -5.0084 -5.0084 0.9409 0.9409 0.9470 0.9470 4.3186 4.3186 4.3305 4.3305 5.9670 5.9670 5.9716 5.9716 6.4269 6.4269 6.4644 6.4644 8.3780 8.3780 8.3992 8.3992 10.0783 10.0783 10.1051 10.1051 10.6928 10.6928 k = 0.3286 0.5000 0.2929 ( 8624 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6145 -34.6145 -34.6144 -34.6144 -34.6066 -34.6066 -34.6065 -34.6065 -20.3932 -20.3932 -20.3932 -20.3932 -7.1683 -7.1683 -7.1659 -7.1659 -5.3639 -5.3639 -5.2172 -5.2172 -5.1666 -5.1666 -5.0142 -5.0142 0.9434 0.9434 0.9492 0.9492 4.3250 4.3250 4.3362 4.3362 5.9174 5.9174 5.9213 5.9213 6.4245 6.4245 6.4610 6.4610 8.3956 8.3956 8.4150 8.4150 10.1362 10.1362 10.1652 10.1652 10.6968 10.6968 k = 0.3429 0.5000 0.2929 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6146 -34.6146 -34.6145 -34.6145 -34.6065 -34.6065 -34.6064 -34.6064 -20.3928 -20.3928 -20.3928 -20.3928 -7.1693 -7.1693 -7.1670 -7.1670 -5.3622 -5.3622 -5.2249 -5.2249 -5.1629 -5.1629 -5.0201 -5.0201 0.9458 0.9458 0.9513 0.9513 4.3322 4.3322 4.3427 4.3427 5.8689 5.8689 5.8722 5.8722 6.4222 6.4222 6.4570 6.4570 8.4147 8.4147 8.4321 8.4321 10.1978 10.1978 10.2296 10.2296 10.6994 10.6994 k = 0.3571 0.5000 0.2929 ( 8608 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6146 -34.6146 -34.6146 -34.6146 -34.6064 -34.6064 -34.6063 -34.6063 -20.3924 -20.3924 -20.3924 -20.3924 -7.1703 -7.1703 -7.1682 -7.1682 -5.3601 -5.3601 -5.2335 -5.2335 -5.1580 -5.1580 -5.0262 -5.0262 0.9479 0.9479 0.9530 0.9530 4.3400 4.3400 4.3497 4.3497 5.8222 5.8222 5.8250 5.8250 6.4199 6.4199 6.4527 6.4527 8.4347 8.4347 8.4500 8.4500 10.2623 10.2623 10.2977 10.2977 10.7013 10.7013 k = 0.3714 0.5000 0.2929 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6147 -34.6147 -34.6147 -34.6147 -34.6063 -34.6063 -34.6063 -34.6063 -20.3920 -20.3920 -20.3920 -20.3920 -7.1712 -7.1712 -7.1692 -7.1692 -5.3576 -5.3576 -5.2424 -5.2424 -5.1523 -5.1523 -5.0324 -5.0324 0.9499 0.9499 0.9546 0.9546 4.3483 4.3483 4.3572 4.3572 5.7777 5.7777 5.7800 5.7800 6.4178 6.4178 6.4482 6.4482 8.4551 8.4551 8.4683 8.4683 10.3288 10.3288 10.3690 10.3690 10.7032 10.7032 k = 0.3857 0.5000 0.2929 ( 8608 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6148 -34.6148 -34.6147 -34.6147 -34.6062 -34.6062 -34.6062 -34.6062 -20.3917 -20.3917 -20.3917 -20.3917 -7.1721 -7.1721 -7.1703 -7.1703 -5.3546 -5.3546 -5.2515 -5.2515 -5.1462 -5.1462 -5.0388 -5.0388 0.9516 0.9516 0.9559 0.9559 4.3569 4.3569 4.3649 4.3649 5.7360 5.7360 5.7378 5.7378 6.4157 6.4157 6.4434 6.4434 8.4753 8.4753 8.4864 8.4864 10.3956 10.3956 10.4424 10.4424 10.7066 10.7066 k = 0.4000 0.5000 0.2929 ( 8604 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6148 -34.6148 -34.6148 -34.6148 -34.6062 -34.6062 -34.6061 -34.6061 -20.3914 -20.3914 -20.3914 -20.3914 -7.1728 -7.1728 -7.1712 -7.1712 -5.3512 -5.3512 -5.2604 -5.2604 -5.1399 -5.1399 -5.0452 -5.0452 0.9532 0.9532 0.9570 0.9570 4.3655 4.3655 4.3727 4.3727 5.6974 5.6974 5.6989 5.6989 6.4139 6.4139 6.4387 6.4387 8.4947 8.4947 8.5038 8.5038 10.4598 10.4598 10.5162 10.5162 10.7137 10.7137 k = 0.4143 0.5000 0.2929 ( 8600 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6149 -34.6149 -34.6149 -34.6149 -34.6061 -34.6061 -34.6061 -34.6061 -20.3912 -20.3912 -20.3912 -20.3912 -7.1735 -7.1735 -7.1721 -7.1721 -5.3474 -5.3474 -5.2692 -5.2692 -5.1334 -5.1334 -5.0518 -5.0518 0.9546 0.9546 0.9579 0.9579 4.3740 4.3740 4.3803 4.3803 5.6627 5.6627 5.6638 5.6638 6.4124 6.4124 6.4340 6.4340 8.5128 8.5128 8.5201 8.5201 10.5171 10.5171 10.5873 10.5873 10.7139 10.7139 k = 0.4286 0.5000 0.2929 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6149 -34.6149 -34.6149 -34.6149 -34.6061 -34.6061 -34.6061 -34.6061 -20.3910 -20.3910 -20.3910 -20.3910 -7.1740 -7.1740 -7.1728 -7.1728 -5.3431 -5.3431 -5.2777 -5.2777 -5.1267 -5.1267 -5.0585 -5.0585 0.9558 0.9558 0.9586 0.9586 4.3820 4.3820 4.3873 4.3873 5.6322 5.6322 5.6330 5.6330 6.4113 6.4113 6.4295 6.4295 8.5291 8.5291 8.5347 8.5347 10.5616 10.5616 10.6439 10.6439 10.7196 10.7196 k = 0.4429 0.5000 0.2929 ( 8588 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6149 -34.6149 -34.6149 -34.6149 -34.6060 -34.6060 -34.6060 -34.6060 -20.3908 -20.3908 -20.3908 -20.3908 -7.1744 -7.1744 -7.1735 -7.1735 -5.3384 -5.3384 -5.2859 -5.2859 -5.1200 -5.1200 -5.0652 -5.0652 0.9568 0.9568 0.9591 0.9591 4.3892 4.3892 4.3935 4.3935 5.6064 5.6064 5.6071 5.6071 6.4106 6.4106 6.4253 6.4253 8.5431 8.5431 8.5473 8.5473 10.5907 10.5907 10.6617 10.6617 10.7598 10.7598 k = 0.4571 0.5000 0.2929 ( 8596 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3906 -20.3906 -20.3906 -20.3906 -7.1748 -7.1748 -7.1740 -7.1740 -5.3333 -5.3333 -5.2938 -5.2938 -5.1132 -5.1132 -5.0720 -5.0720 0.9577 0.9577 0.9594 0.9594 4.3954 4.3954 4.3986 4.3986 5.5859 5.5859 5.5863 5.5863 6.4104 6.4104 6.4216 6.4216 8.5545 8.5545 8.5574 8.5574 10.6081 10.6081 10.6582 10.6582 10.8143 10.8143 k = 0.4714 0.5000 0.2929 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3905 -20.3905 -7.1749 -7.1749 -7.1745 -7.1745 -5.3277 -5.3277 -5.3014 -5.3014 -5.1063 -5.1063 -5.0788 -5.0788 0.9584 0.9584 0.9596 0.9596 4.4001 4.4001 4.4023 4.4023 5.5709 5.5709 5.5712 5.5712 6.4108 6.4108 6.4183 6.4183 8.5629 8.5629 8.5648 8.5648 10.6192 10.6192 10.6508 10.6508 10.8615 10.8615 k = 0.4857 0.5000 0.2929 ( 8624 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3905 -20.3905 -7.1750 -7.1750 -7.1748 -7.1748 -5.3217 -5.3217 -5.3085 -5.3085 -5.0994 -5.0994 -5.0857 -5.0857 0.9589 0.9589 0.9595 0.9595 4.4033 4.4033 4.4044 4.4044 5.5618 5.5618 5.5619 5.5619 6.4118 6.4118 6.4155 6.4155 8.5683 8.5683 8.5692 8.5692 10.6275 10.6275 10.6428 10.6428 10.8937 10.8937 k = 0.5000 0.5000 0.2929 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3153 -5.3153 -5.3153 -5.3153 -5.0926 -5.0926 -5.0926 -5.0926 0.9593 0.9593 0.9593 0.9593 4.4047 4.4047 4.4047 4.4047 5.5588 5.5588 5.5588 5.5588 6.4133 6.4133 6.4133 6.4133 8.5703 8.5703 8.5703 8.5703 10.6351 10.6351 10.6351 10.6351 10.9065 10.9065 k = 0.5000 0.5000 0.2929 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3153 -5.3153 -5.3153 -5.3153 -5.0926 -5.0926 -5.0926 -5.0926 0.9593 0.9593 0.9593 0.9593 4.4047 4.4047 4.4047 4.4047 5.5588 5.5588 5.5588 5.5588 6.4133 6.4133 6.4133 6.4133 8.5703 8.5703 8.5703 8.5703 10.6351 10.6351 10.6351 10.6351 10.9065 10.9065 k = 0.4898 0.4898 0.2929 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3905 -20.3905 -20.3904 -20.3904 -7.1751 -7.1751 -7.1747 -7.1747 -5.3218 -5.3218 -5.3085 -5.3085 -5.0995 -5.0995 -5.0856 -5.0856 0.9586 0.9586 0.9598 0.9598 4.4018 4.4018 4.4058 4.4058 5.5591 5.5591 5.5648 5.5648 6.4117 6.4117 6.4156 6.4156 8.5674 8.5674 8.5700 8.5700 10.6273 10.6273 10.6431 10.6431 10.8869 10.8869 k = 0.4796 0.4796 0.2929 ( 8614 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3907 -20.3907 -20.3904 -20.3904 -7.1752 -7.1752 -7.1742 -7.1742 -5.3278 -5.3278 -5.3012 -5.3012 -5.1064 -5.1064 -5.0787 -5.0787 0.9568 0.9568 0.9612 0.9612 4.3936 4.3936 4.4090 4.4090 5.5600 5.5600 5.5823 5.5823 6.4106 6.4106 6.4186 6.4186 8.5590 8.5590 8.5687 8.5687 10.6174 10.6174 10.6521 10.6521 10.8350 10.8350 k = 0.4694 0.4694 0.2929 ( 8608 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6149 -34.6149 -34.6060 -34.6060 -34.6060 -34.6060 -20.3910 -20.3910 -20.3903 -20.3903 -7.1753 -7.1753 -7.1734 -7.1734 -5.3334 -5.3334 -5.2936 -5.2936 -5.1134 -5.1134 -5.0718 -5.0718 0.9536 0.9536 0.9634 0.9634 4.3809 4.3809 4.4141 4.4141 5.5613 5.5613 5.6104 5.6104 6.4097 6.4097 6.4226 6.4226 8.5457 8.5457 8.5665 8.5665 10.6016 10.6016 10.6610 10.6610 10.7655 10.7655 k = 0.4592 0.4592 0.2929 ( 8602 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8983 -34.8983 -34.6150 -34.6150 -34.6149 -34.6149 -34.6061 -34.6061 -34.6060 -34.6060 -20.3914 -20.3914 -20.3902 -20.3902 -7.1755 -7.1755 -7.1723 -7.1723 -5.3384 -5.3384 -5.2857 -5.2857 -5.1202 -5.1202 -5.0650 -5.0650 0.9491 0.9491 0.9664 0.9664 4.3649 4.3649 4.4214 4.4214 5.5628 5.5628 5.6477 5.6477 6.4091 6.4091 6.4276 6.4276 8.5285 8.5285 8.5636 8.5636 10.5685 10.5685 10.6580 10.6580 10.7115 10.7115 k = 0.4490 0.4490 0.2929 ( 8598 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8985 -34.8985 -34.8983 -34.8983 -34.6150 -34.6150 -34.6148 -34.6148 -34.6062 -34.6062 -34.6060 -34.6060 -20.3919 -20.3919 -20.3900 -20.3900 -7.1758 -7.1758 -7.1709 -7.1709 -5.3430 -5.3430 -5.2775 -5.2775 -5.1270 -5.1270 -5.0582 -5.0582 0.9432 0.9432 0.9702 0.9702 4.3470 4.3470 4.4307 4.4307 5.5644 5.5644 5.6925 5.6925 6.4088 6.4088 6.4338 6.4338 8.5086 8.5086 8.5599 8.5599 10.5009 10.5009 10.6305 10.6305 10.7092 10.7092 k = 0.4388 0.4388 0.2929 ( 8606 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8985 -34.8985 -34.8983 -34.8983 -34.6150 -34.6150 -34.6148 -34.6148 -34.6063 -34.6063 -34.6060 -34.6060 -20.3926 -20.3926 -20.3898 -20.3898 -7.1761 -7.1761 -7.1692 -7.1692 -5.3471 -5.3471 -5.2690 -5.2690 -5.1337 -5.1337 -5.0515 -5.0515 0.9358 0.9358 0.9748 0.9748 4.3287 4.3287 4.4421 4.4421 5.5656 5.5656 5.7432 5.7432 6.4088 6.4088 6.4411 6.4411 8.4873 8.4873 8.5556 8.5556 10.4102 10.4102 10.6077 10.6077 10.7228 10.7228 k = 0.4286 0.4286 0.2929 ( 8622 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8986 -34.8986 -34.8982 -34.8982 -34.6150 -34.6150 -34.6147 -34.6147 -34.6064 -34.6064 -34.6060 -34.6060 -20.3934 -20.3934 -20.3896 -20.3896 -7.1764 -7.1764 -7.1671 -7.1671 -5.3506 -5.3506 -5.2603 -5.2603 -5.1403 -5.1403 -5.0449 -5.0449 0.9267 0.9267 0.9801 0.9801 4.3112 4.3112 4.4555 4.4555 5.5661 5.5661 5.7979 5.7979 6.4094 6.4094 6.4497 6.4497 8.4660 8.4660 8.5508 8.5508 10.3143 10.3143 10.5880 10.5880 10.7384 10.7384 k = 0.4184 0.4184 0.2929 ( 8600 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8986 -34.8986 -34.8981 -34.8981 -34.6149 -34.6149 -34.6146 -34.6146 -34.6065 -34.6065 -34.6059 -34.6059 -20.3942 -20.3942 -20.3893 -20.3893 -7.1768 -7.1768 -7.1647 -7.1647 -5.3536 -5.3536 -5.2514 -5.2514 -5.1467 -5.1467 -5.0384 -5.0384 0.9158 0.9158 0.9859 0.9859 4.2956 4.2956 4.4710 4.4710 5.5653 5.5653 5.8550 5.8550 6.4110 6.4110 6.4594 6.4594 8.4461 8.4461 8.5456 8.5456 10.2209 10.2209 10.5679 10.5679 10.7535 10.7535 k = 0.4082 0.4082 0.2929 ( 8608 PWs) bands (ev): -67.9578 -67.9578 -67.9577 -67.9577 -34.8987 -34.8987 -34.8981 -34.8981 -34.6149 -34.6149 -34.6145 -34.6145 -34.6067 -34.6067 -34.6059 -34.6059 -20.3952 -20.3952 -20.3890 -20.3890 -7.1773 -7.1773 -7.1621 -7.1621 -5.3561 -5.3561 -5.2424 -5.2424 -5.1529 -5.1529 -5.0321 -5.0321 0.9031 0.9031 0.9923 0.9923 4.2829 4.2829 4.4886 4.4886 5.5628 5.5628 5.9131 5.9131 6.4139 6.4139 6.4703 6.4703 8.4287 8.4287 8.5402 8.5402 10.1336 10.1336 10.5464 10.5464 10.7664 10.7664 k = 0.3980 0.3980 0.2929 ( 8604 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8987 -34.8987 -34.8980 -34.8980 -34.6149 -34.6149 -34.6143 -34.6143 -34.6068 -34.6068 -34.6059 -34.6059 -20.3963 -20.3963 -20.3887 -20.3887 -7.1778 -7.1778 -7.1591 -7.1591 -5.3579 -5.3579 -5.2333 -5.2333 -5.1589 -5.1589 -5.0259 -5.0259 0.8884 0.8884 0.9991 0.9991 4.2739 4.2739 4.5082 4.5082 5.5579 5.5579 5.9706 5.9706 6.4187 6.4187 6.4824 6.4824 8.4148 8.4148 8.5347 8.5347 10.0548 10.0548 10.5228 10.5228 10.7656 10.7656 k = 0.3878 0.3878 0.2929 ( 8614 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8988 -34.8988 -34.8980 -34.8980 -34.6149 -34.6149 -34.6142 -34.6142 -34.6070 -34.6070 -34.6059 -34.6059 -20.3975 -20.3975 -20.3884 -20.3884 -7.1783 -7.1783 -7.1559 -7.1559 -5.3592 -5.3592 -5.2243 -5.2243 -5.1645 -5.1645 -5.0198 -5.0198 0.8716 0.8716 1.0062 1.0062 4.2689 4.2689 4.5299 4.5299 5.5503 5.5503 6.0264 6.0264 6.4259 6.4259 6.4956 6.4956 8.4052 8.4052 8.5292 8.5292 9.9862 9.9862 10.4971 10.4971 10.7436 10.7436 k = 0.3776 0.3776 0.2929 ( 8614 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8988 -34.8988 -34.8979 -34.8979 -34.6148 -34.6148 -34.6141 -34.6141 -34.6072 -34.6072 -34.6059 -34.6059 -20.3987 -20.3987 -20.3880 -20.3880 -7.1788 -7.1788 -7.1524 -7.1524 -5.3599 -5.3599 -5.2155 -5.2155 -5.1695 -5.1695 -5.0139 -5.0139 0.8529 0.8529 1.0134 1.0134 4.2686 4.2686 4.5537 4.5537 5.5395 5.5395 6.0791 6.0791 6.4361 6.4361 6.5099 6.5099 8.4005 8.4005 8.5239 8.5239 9.9292 9.9292 10.4691 10.4691 10.7193 10.7193 k = 0.3673 0.3673 0.2929 ( 8614 PWs) bands (ev): -67.9578 -67.9578 -67.9576 -67.9576 -34.8989 -34.8989 -34.8978 -34.8978 -34.6148 -34.6148 -34.6139 -34.6139 -34.6074 -34.6074 -34.6059 -34.6059 -20.4001 -20.4001 -20.3876 -20.3876 -7.1794 -7.1794 -7.1486 -7.1486 -5.3600 -5.3600 -5.2077 -5.2077 -5.1733 -5.1733 -5.0082 -5.0082 0.8320 0.8320 1.0207 1.0207 4.2730 4.2730 4.5794 4.5794 5.5254 5.5254 6.1279 6.1279 6.4498 6.4498 6.5252 6.5252 8.4009 8.4009 8.5191 8.5191 9.8852 9.8852 10.4389 10.4389 10.6941 10.6941 k = 0.3571 0.3571 0.2929 ( 8622 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8990 -34.8990 -34.8977 -34.8977 -34.6148 -34.6148 -34.6138 -34.6138 -34.6076 -34.6076 -34.6058 -34.6058 -20.4015 -20.4015 -20.3872 -20.3872 -7.1799 -7.1799 -7.1445 -7.1445 -5.3596 -5.3596 -5.2020 -5.2020 -5.1746 -5.1746 -5.0027 -5.0027 0.8090 0.8090 1.0279 1.0279 4.2823 4.2823 4.6073 4.6073 5.5078 5.5078 6.1719 6.1719 6.4674 6.4674 6.5416 6.5416 8.4066 8.4066 8.5149 8.5149 9.8549 9.8549 10.4066 10.4066 10.6681 10.6681 k = 0.3469 0.3469 0.2929 ( 8630 PWs) bands (ev): -67.9579 -67.9579 -67.9576 -67.9576 -34.8991 -34.8991 -34.8976 -34.8976 -34.6147 -34.6147 -34.6136 -34.6136 -34.6078 -34.6078 -34.6058 -34.6058 -20.4030 -20.4030 -20.3868 -20.3868 -7.1805 -7.1805 -7.1402 -7.1402 -5.3586 -5.3586 -5.2003 -5.2003 -5.1716 -5.1716 -4.9974 -4.9974 0.7841 0.7841 1.0347 1.0347 4.2964 4.2964 4.6371 4.6371 5.4869 5.4869 6.2106 6.2106 6.4890 6.4890 6.5590 6.5590 8.4173 8.4173 8.5117 8.5117 9.8393 9.8393 10.3723 10.3723 10.6412 10.6412 k = 0.3367 0.3367 0.2929 ( 8636 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8992 -34.8992 -34.8975 -34.8975 -34.6147 -34.6147 -34.6135 -34.6135 -34.6080 -34.6080 -34.6058 -34.6058 -20.4046 -20.4046 -20.3863 -20.3863 -7.1811 -7.1811 -7.1356 -7.1356 -5.3570 -5.3570 -5.2022 -5.2022 -5.1649 -5.1649 -4.9923 -4.9923 0.7573 0.7573 1.0411 1.0411 4.3151 4.3151 4.6690 4.6690 5.4633 5.4633 6.2439 6.2439 6.5146 6.5146 6.5776 6.5776 8.4323 8.4323 8.5102 8.5102 9.8387 9.8387 10.3362 10.3362 10.6131 10.6131 k = 0.3265 0.3265 0.2929 ( 8620 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8992 -34.8992 -34.8974 -34.8974 -34.6147 -34.6147 -34.6133 -34.6133 -34.6082 -34.6082 -34.6057 -34.6057 -20.4063 -20.4063 -20.3858 -20.3858 -7.1816 -7.1816 -7.1309 -7.1309 -5.3548 -5.3548 -5.2056 -5.2056 -5.1563 -5.1563 -4.9874 -4.9874 0.7287 0.7287 1.0468 1.0468 4.3379 4.3379 4.7029 4.7029 5.4374 5.4374 6.2718 6.2718 6.5437 6.5437 6.5976 6.5976 8.4500 8.4500 8.5117 8.5117 9.8532 9.8532 10.2987 10.2987 10.5835 10.5835 k = 0.3163 0.3163 0.2929 ( 8620 PWs) bands (ev): -67.9579 -67.9579 -67.9575 -67.9575 -34.8993 -34.8993 -34.8973 -34.8973 -34.6146 -34.6146 -34.6131 -34.6131 -34.6085 -34.6085 -34.6057 -34.6057 -20.4080 -20.4080 -20.3853 -20.3853 -7.1822 -7.1822 -7.1259 -7.1259 -5.3522 -5.3522 -5.2095 -5.2095 -5.1468 -5.1468 -4.9828 -4.9828 0.6985 0.6985 1.0517 1.0517 4.3646 4.3646 4.7389 4.7389 5.4101 5.4101 6.2947 6.2947 6.5751 6.5751 6.6200 6.6200 8.4667 8.4667 8.5195 8.5195 9.8824 9.8824 10.2605 10.2605 10.5516 10.5516 k = 0.3061 0.3061 0.2929 ( 8628 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8994 -34.8994 -34.8972 -34.8972 -34.6146 -34.6146 -34.6130 -34.6130 -34.6087 -34.6087 -34.6057 -34.6057 -20.4097 -20.4097 -20.3848 -20.3848 -7.1827 -7.1827 -7.1207 -7.1207 -5.3490 -5.3490 -5.2136 -5.2136 -5.1370 -5.1370 -4.9784 -4.9784 0.6668 0.6668 1.0556 1.0556 4.3943 4.3943 4.7768 4.7768 5.3820 5.3820 6.3132 6.3132 6.6066 6.6066 6.6468 6.6468 8.4776 8.4776 8.5380 8.5380 9.9249 9.9249 10.2228 10.2228 10.5165 10.5165 k = 0.2959 0.2959 0.2929 ( 8630 PWs) bands (ev): -67.9580 -67.9580 -67.9575 -67.9575 -34.8995 -34.8995 -34.8971 -34.8971 -34.6146 -34.6146 -34.6128 -34.6128 -34.6090 -34.6090 -34.6056 -34.6056 -20.4115 -20.4115 -20.3843 -20.3843 -7.1832 -7.1832 -7.1153 -7.1153 -5.3454 -5.3454 -5.2176 -5.2176 -5.1270 -5.1270 -4.9742 -4.9742 0.6340 0.6340 1.0583 1.0583 4.4265 4.4265 4.8167 4.8167 5.3541 5.3541 6.3284 6.3284 6.6349 6.6349 6.6808 6.6808 8.4831 8.4831 8.5665 8.5665 9.9771 9.9771 10.1888 10.1888 10.4772 10.4772 k = 0.2857 0.2857 0.2929 ( 8642 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8997 -34.8997 -34.8970 -34.8970 -34.6146 -34.6146 -34.6126 -34.6126 -34.6093 -34.6093 -34.6055 -34.6055 -20.4133 -20.4133 -20.3838 -20.3838 -7.1837 -7.1837 -7.1098 -7.1098 -5.3413 -5.3413 -5.2214 -5.2214 -5.1170 -5.1170 -4.9703 -4.9703 0.6001 0.6001 1.0597 1.0597 4.4602 4.4602 4.8586 4.8586 5.3273 5.3273 6.3416 6.3416 6.6600 6.6600 6.7217 6.7217 8.4864 8.4864 8.6012 8.6012 10.0261 10.0261 10.1710 10.1710 10.4321 10.4321 k = 0.2755 0.2755 0.2929 ( 8646 PWs) bands (ev): -67.9580 -67.9580 -67.9574 -67.9574 -34.8998 -34.8998 -34.8968 -34.8968 -34.6145 -34.6145 -34.6125 -34.6125 -34.6095 -34.6095 -34.6055 -34.6055 -20.4152 -20.4152 -20.3832 -20.3832 -7.1841 -7.1841 -7.1041 -7.1041 -5.3368 -5.3368 -5.2250 -5.2250 -5.1070 -5.1070 -4.9666 -4.9666 0.5654 0.5654 1.0595 1.0595 4.4944 4.4944 4.9025 4.9025 5.3022 5.3022 6.3543 6.3543 6.6835 6.6835 6.7673 6.7673 8.4890 8.4890 8.6396 8.6396 10.0375 10.0375 10.2031 10.2031 10.3799 10.3799 k = 0.2653 0.2653 0.2929 ( 8642 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.8999 -34.8999 -34.8967 -34.8967 -34.6145 -34.6145 -34.6123 -34.6123 -34.6098 -34.6098 -34.6054 -34.6054 -20.4171 -20.4171 -20.3827 -20.3827 -7.1845 -7.1845 -7.0983 -7.0983 -5.3319 -5.3319 -5.2283 -5.2283 -5.0970 -5.0970 -4.9632 -4.9632 0.5301 0.5301 1.0577 1.0577 4.5282 4.5282 4.9483 4.9483 5.2798 5.2798 6.3679 6.3679 6.7065 6.7065 6.8158 6.8158 8.4917 8.4917 8.6806 8.6806 10.0118 10.0118 10.2826 10.2826 10.3198 10.3198 k = 0.2551 0.2551 0.2929 ( 8634 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9000 -34.9000 -34.8966 -34.8966 -34.6145 -34.6145 -34.6121 -34.6121 -34.6100 -34.6100 -34.6053 -34.6053 -20.4189 -20.4189 -20.3822 -20.3822 -7.1849 -7.1849 -7.0924 -7.0924 -5.3268 -5.3268 -5.2312 -5.2312 -5.0871 -5.0871 -4.9599 -4.9599 0.4944 0.4944 1.0542 1.0542 4.5604 4.5604 4.9961 4.9961 5.2606 5.2606 6.3843 6.3843 6.7297 6.7297 6.8661 6.8661 8.4945 8.4945 8.7235 8.7235 9.9747 9.9747 10.2470 10.2470 10.3869 10.3869 k = 0.2449 0.2449 0.2929 ( 8642 PWs) bands (ev): -67.9581 -67.9581 -67.9574 -67.9574 -34.9001 -34.9001 -34.8965 -34.8965 -34.6145 -34.6145 -34.6120 -34.6120 -34.6103 -34.6103 -34.6052 -34.6052 -20.4208 -20.4208 -20.3816 -20.3816 -7.1852 -7.1852 -7.0865 -7.0865 -5.3214 -5.3214 -5.2338 -5.2338 -5.0775 -5.0775 -4.9568 -4.9568 0.4586 0.4586 1.0488 1.0488 4.5901 4.5901 5.0457 5.0457 5.2453 5.2453 6.4051 6.4051 6.7532 6.7532 6.9171 6.9171 8.4974 8.4974 8.7675 8.7675 9.9344 9.9344 10.1657 10.1657 10.4997 10.4997 k = 0.2347 0.2347 0.2929 ( 8642 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9002 -34.9002 -34.8964 -34.8964 -34.6144 -34.6144 -34.6118 -34.6118 -34.6106 -34.6106 -34.6051 -34.6051 -20.4227 -20.4227 -20.3811 -20.3811 -7.1855 -7.1855 -7.0805 -7.0805 -5.3159 -5.3159 -5.2359 -5.2359 -5.0681 -5.0681 -4.9539 -4.9539 0.4229 0.4229 1.0415 1.0415 4.6161 4.6161 5.0971 5.0971 5.2345 5.2345 6.4317 6.4317 6.7771 6.7771 6.9679 6.9679 8.4999 8.4999 8.8123 8.8123 9.8932 9.8932 10.0743 10.0743 10.5171 10.5171 k = 0.2245 0.2245 0.2929 ( 8638 PWs) bands (ev): -67.9581 -67.9581 -67.9573 -67.9573 -34.9003 -34.9003 -34.8963 -34.8963 -34.6144 -34.6144 -34.6117 -34.6117 -34.6108 -34.6108 -34.6050 -34.6050 -20.4246 -20.4246 -20.3806 -20.3806 -7.1857 -7.1857 -7.0744 -7.0744 -5.3105 -5.3105 -5.2374 -5.2374 -5.0592 -5.0592 -4.9510 -4.9510 0.3874 0.3874 1.0323 1.0323 4.6378 4.6378 5.1500 5.1500 5.2288 5.2288 6.4654 6.4654 6.8015 6.8015 7.0175 7.0175 8.5018 8.5018 8.8577 8.8577 9.8518 9.8518 9.9744 9.9744 10.4251 10.4251 k = 0.2143 0.2143 0.2929 ( 8626 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9004 -34.9004 -34.8961 -34.8961 -34.6144 -34.6144 -34.6116 -34.6116 -34.6111 -34.6111 -34.6049 -34.6049 -20.4264 -20.4264 -20.3800 -20.3800 -7.1858 -7.1858 -7.0684 -7.0684 -5.3052 -5.3052 -5.2382 -5.2382 -5.0507 -5.0507 -4.9482 -4.9482 0.3524 0.3524 1.0213 1.0213 4.6545 4.6545 5.2025 5.2025 5.2306 5.2306 6.5070 6.5070 6.8264 6.8264 7.0647 7.0647 8.5026 8.5026 8.9034 8.9034 9.8084 9.8084 9.8699 9.8699 10.3355 10.3355 k = 0.2041 0.2041 0.2929 ( 8626 PWs) bands (ev): -67.9582 -67.9582 -67.9573 -67.9573 -34.9005 -34.9005 -34.8960 -34.8960 -34.6144 -34.6144 -34.6115 -34.6115 -34.6113 -34.6113 -34.6048 -34.6048 -20.4283 -20.4283 -20.3795 -20.3795 -7.1859 -7.1859 -7.0624 -7.0624 -5.3003 -5.3003 -5.2381 -5.2381 -5.0428 -5.0428 -4.9452 -4.9452 0.3180 0.3180 1.0085 1.0085 4.6658 4.6658 5.2280 5.2280 5.2664 5.2664 6.5572 6.5572 6.8519 6.8519 7.1083 7.1083 8.5017 8.5017 8.9497 8.9497 9.7367 9.7367 9.7891 9.7891 10.2515 10.2515 k = 0.1939 0.1939 0.2929 ( 8630 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9006 -34.9006 -34.8959 -34.8959 -34.6144 -34.6144 -34.6115 -34.6115 -34.6114 -34.6114 -34.6046 -34.6046 -20.4301 -20.4301 -20.3790 -20.3790 -7.1860 -7.1860 -7.0564 -7.0564 -5.2959 -5.2959 -5.2370 -5.2370 -5.0357 -5.0357 -4.9420 -4.9420 0.2844 0.2844 0.9941 0.9941 4.6720 4.6720 5.2395 5.2395 5.3237 5.3237 6.6159 6.6159 6.8780 6.8780 7.1471 7.1471 8.4985 8.4985 8.9967 8.9967 9.6238 9.6238 9.7472 9.7472 10.1742 10.1742 k = 0.1837 0.1837 0.2929 ( 8618 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9007 -34.9007 -34.8958 -34.8958 -34.6143 -34.6143 -34.6117 -34.6117 -34.6112 -34.6112 -34.6045 -34.6045 -20.4318 -20.4318 -20.3785 -20.3785 -7.1860 -7.1860 -7.0506 -7.0506 -5.2923 -5.2923 -5.2348 -5.2348 -5.0295 -5.0295 -4.9385 -4.9385 0.2518 0.2518 0.9782 0.9782 4.6730 4.6730 5.2555 5.2555 5.3837 5.3837 6.6830 6.6830 6.9048 6.9048 7.1798 7.1798 8.4923 8.4923 9.0448 9.0448 9.5029 9.5029 9.7127 9.7127 10.1044 10.1044 k = 0.1735 0.1735 0.2929 ( 8620 PWs) bands (ev): -67.9582 -67.9582 -67.9572 -67.9572 -34.9008 -34.9008 -34.8957 -34.8957 -34.6143 -34.6143 -34.6119 -34.6119 -34.6112 -34.6112 -34.6044 -34.6044 -20.4335 -20.4335 -20.3780 -20.3780 -7.1860 -7.1860 -7.0448 -7.0448 -5.2895 -5.2895 -5.2314 -5.2314 -5.0243 -5.0243 -4.9346 -4.9346 0.2202 0.2202 0.9610 0.9610 4.6695 4.6695 5.2770 5.2770 5.4456 5.4456 6.7577 6.7577 6.9323 6.9323 7.2050 7.2050 8.4826 8.4826 9.0944 9.0944 9.3794 9.3794 9.6821 9.6821 10.0428 10.0428 k = 0.1633 0.1633 0.2929 ( 8626 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9009 -34.9009 -34.8956 -34.8956 -34.6144 -34.6144 -34.6121 -34.6121 -34.6111 -34.6111 -34.6043 -34.6043 -20.4351 -20.4351 -20.3776 -20.3776 -7.1859 -7.1859 -7.0392 -7.0392 -5.2875 -5.2875 -5.2268 -5.2268 -5.0203 -5.0203 -4.9302 -4.9302 0.1899 0.1899 0.9426 0.9426 4.6620 4.6620 5.3042 5.3042 5.5090 5.5090 6.8390 6.8390 6.9609 6.9609 7.2215 7.2215 8.4686 8.4686 9.1454 9.1454 9.2555 9.2555 9.6551 9.6551 9.9900 9.9900 k = 0.1531 0.1531 0.2929 ( 8640 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9010 -34.9010 -34.8955 -34.8955 -34.6144 -34.6144 -34.6123 -34.6123 -34.6110 -34.6110 -34.6041 -34.6041 -20.4367 -20.4367 -20.3771 -20.3771 -7.1858 -7.1858 -7.0338 -7.0338 -5.2862 -5.2862 -5.2211 -5.2211 -5.0175 -5.0175 -4.9254 -4.9254 0.1609 0.1609 0.9235 0.9235 4.6513 4.6513 5.3369 5.3369 5.5738 5.5738 6.9246 6.9246 6.9917 6.9917 7.2286 7.2286 8.4500 8.4500 9.1275 9.1275 9.2031 9.2031 9.6321 9.6321 9.9462 9.9462 k = 0.1429 0.1429 0.2929 ( 8650 PWs) bands (ev): -67.9583 -67.9583 -67.9572 -67.9572 -34.9011 -34.9011 -34.8954 -34.8954 -34.6145 -34.6145 -34.6125 -34.6125 -34.6110 -34.6110 -34.6040 -34.6040 -20.4382 -20.4382 -20.3767 -20.3767 -7.1857 -7.1857 -7.0285 -7.0285 -5.2855 -5.2855 -5.2147 -5.2147 -5.0158 -5.0158 -4.9201 -4.9201 0.1334 0.1334 0.9038 0.9038 4.6380 4.6380 5.3751 5.3751 5.6399 5.6399 7.0010 7.0010 7.0366 7.0366 7.2255 7.2255 8.4267 8.4267 9.0051 9.0051 9.2585 9.2585 9.6136 9.6136 9.9117 9.9117 k = 0.1327 0.1327 0.2929 ( 8664 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9012 -34.9012 -34.8953 -34.8953 -34.6145 -34.6145 -34.6126 -34.6126 -34.6109 -34.6109 -34.6039 -34.6039 -20.4397 -20.4397 -20.3763 -20.3763 -7.1855 -7.1855 -7.0235 -7.0235 -5.2852 -5.2852 -5.2077 -5.2077 -5.0152 -5.0152 -4.9144 -4.9144 0.1074 0.1074 0.8838 0.8838 4.6229 4.6229 5.4186 5.4186 5.7069 5.7069 7.0408 7.0408 7.1211 7.1211 7.2129 7.2129 8.3986 8.3986 8.8831 8.8831 9.3171 9.3171 9.6001 9.6001 9.8862 9.8862 k = 0.1224 0.1224 0.2929 ( 8664 PWs) bands (ev): -67.9583 -67.9583 -67.9571 -67.9571 -34.9013 -34.9013 -34.8952 -34.8952 -34.6146 -34.6146 -34.6127 -34.6127 -34.6108 -34.6108 -34.6038 -34.6038 -20.4410 -20.4410 -20.3759 -20.3759 -7.1854 -7.1854 -7.0188 -7.0188 -5.2852 -5.2852 -5.2003 -5.2003 -5.0157 -5.0157 -4.9086 -4.9086 0.0830 0.0830 0.8638 0.8638 4.6066 4.6066 5.4672 5.4672 5.7748 5.7748 7.0714 7.0714 7.1841 7.1841 7.2229 7.2229 8.3660 8.3660 8.7633 8.7633 9.3767 9.3767 9.5922 9.5922 9.8692 9.8692 k = 0.1122 0.1122 0.2929 ( 8648 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9013 -34.9013 -34.8952 -34.8952 -34.6146 -34.6146 -34.6128 -34.6128 -34.6108 -34.6108 -34.6036 -34.6036 -20.4423 -20.4423 -20.3756 -20.3756 -7.1852 -7.1852 -7.0143 -7.0143 -5.2853 -5.2853 -5.1925 -5.1925 -5.0170 -5.0170 -4.9026 -4.9026 0.0604 0.0604 0.8442 0.8442 4.5897 4.5897 5.5207 5.5207 5.8430 5.8430 7.0959 7.0959 7.1596 7.1596 7.3170 7.3170 8.3296 8.3296 8.6463 8.6463 9.4354 9.4354 9.5905 9.5905 9.8600 9.8600 k = 0.1020 0.1020 0.2929 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9014 -34.9014 -34.8951 -34.8951 -34.6147 -34.6147 -34.6129 -34.6129 -34.6108 -34.6108 -34.6035 -34.6035 -20.4435 -20.4435 -20.3752 -20.3752 -7.1850 -7.1850 -7.0101 -7.0101 -5.2855 -5.2855 -5.1847 -5.1847 -5.0191 -5.0191 -4.8968 -4.8968 0.0395 0.0395 0.8251 0.8251 4.5728 4.5728 5.5788 5.5788 5.9113 5.9113 7.0883 7.0883 7.1550 7.1550 7.4128 7.4128 8.2900 8.2900 8.5328 8.5328 9.4906 9.4906 9.5958 9.5958 9.8575 9.8575 k = 0.0918 0.0918 0.2929 ( 8644 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6148 -34.6148 -34.6129 -34.6129 -34.6107 -34.6107 -34.6034 -34.6034 -20.4445 -20.4445 -20.3749 -20.3749 -7.1848 -7.1848 -7.0062 -7.0062 -5.2858 -5.2858 -5.1768 -5.1768 -5.0218 -5.0218 -4.8911 -4.8911 0.0205 0.0205 0.8069 0.8069 4.5563 4.5563 5.6413 5.6413 5.9791 5.9791 7.0426 7.0426 7.1799 7.1799 7.5058 7.5058 8.2482 8.2482 8.4237 8.4237 9.5395 9.5395 9.6084 9.6084 9.8606 9.8606 k = 0.0816 0.0816 0.2929 ( 8652 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9015 -34.9015 -34.8950 -34.8950 -34.6148 -34.6148 -34.6129 -34.6129 -34.6107 -34.6107 -34.6033 -34.6033 -20.4455 -20.4455 -20.3747 -20.3747 -7.1846 -7.1846 -7.0027 -7.0027 -5.2861 -5.2861 -5.1690 -5.1690 -5.0250 -5.0250 -4.8857 -4.8857 0.0033 0.0033 0.7898 0.7898 4.5405 4.5405 5.7077 5.7077 6.0458 6.0458 6.9838 6.9838 7.2103 7.2103 7.5939 7.5939 8.2052 8.2052 8.3196 8.3196 9.5794 9.5794 9.6294 9.6294 9.8679 9.8679 k = 0.0714 0.0714 0.2929 ( 8668 PWs) bands (ev): -67.9584 -67.9584 -67.9571 -67.9571 -34.9016 -34.9016 -34.8949 -34.8949 -34.6149 -34.6149 -34.6130 -34.6130 -34.6107 -34.6107 -34.6032 -34.6032 -20.4464 -20.4464 -20.3744 -20.3744 -7.1844 -7.1844 -6.9995 -6.9995 -5.2864 -5.2864 -5.1613 -5.1613 -5.0286 -5.0286 -4.8808 -4.8808 -0.0119 -0.0119 0.7741 0.7741 4.5259 4.5259 5.7778 5.7778 6.1105 6.1105 6.9173 6.9173 7.2417 7.2417 7.6752 7.6752 8.1620 8.1620 8.2218 8.2218 9.6088 9.6088 9.6593 9.6593 9.8783 9.8783 k = 0.0612 0.0612 0.2929 ( 8666 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8949 -34.8949 -34.6150 -34.6150 -34.6130 -34.6130 -34.6107 -34.6107 -34.6032 -34.6032 -20.4471 -20.4471 -20.3742 -20.3742 -7.1842 -7.1842 -6.9968 -6.9968 -5.2867 -5.2867 -5.1540 -5.1540 -5.0324 -5.0324 -4.8763 -4.8763 -0.0252 -0.0252 0.7601 0.7601 4.5127 4.5127 5.8513 5.8513 6.1722 6.1722 6.8451 6.8451 7.2728 7.2728 7.7478 7.7478 8.1184 8.1184 8.1330 8.1330 9.6288 9.6288 9.6970 9.6970 9.8908 9.8908 k = 0.0510 0.0510 0.2929 ( 8650 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9016 -34.9016 -34.8948 -34.8948 -34.6150 -34.6150 -34.6130 -34.6130 -34.6107 -34.6107 -34.6031 -34.6031 -20.4478 -20.4478 -20.3740 -20.3740 -7.1841 -7.1841 -6.9944 -6.9944 -5.2869 -5.2869 -5.1472 -5.1472 -5.0364 -5.0364 -4.8724 -4.8724 -0.0365 -0.0365 0.7478 0.7478 4.5012 4.5012 5.9277 5.9277 6.2293 6.2293 6.7685 6.7685 7.3026 7.3026 7.8102 7.8102 8.0477 8.0477 8.0829 8.0829 9.6420 9.6420 9.7401 9.7401 9.9047 9.9047 k = 0.0408 0.0408 0.2929 ( 8654 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6130 -34.6130 -34.6107 -34.6107 -34.6030 -34.6030 -20.4483 -20.4483 -20.3739 -20.3739 -7.1839 -7.1839 -6.9924 -6.9924 -5.2871 -5.2871 -5.1410 -5.1410 -5.0402 -5.0402 -4.8691 -4.8691 -0.0458 -0.0458 0.7375 0.7375 4.4915 4.4915 6.0065 6.0065 6.2803 6.2803 6.6886 6.6886 7.3302 7.3302 7.8605 7.8605 7.9767 7.9767 8.0487 8.0487 9.6503 9.6503 9.7852 9.7852 9.9197 9.9197 k = 0.0306 0.0306 0.2929 ( 8648 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6151 -34.6151 -34.6130 -34.6130 -34.6106 -34.6106 -34.6030 -34.6030 -20.4488 -20.4488 -20.3738 -20.3738 -7.1838 -7.1838 -6.9909 -6.9909 -5.2873 -5.2873 -5.1357 -5.1357 -5.0437 -5.0437 -4.8665 -4.8665 -0.0530 -0.0530 0.7294 0.7294 4.4839 4.4839 6.0873 6.0873 6.3231 6.3231 6.6067 6.6067 7.3543 7.3543 7.8965 7.8965 7.9180 7.9180 8.0228 8.0228 9.6553 9.6553 9.8272 9.8272 9.9362 9.9362 k = 0.0204 0.0204 0.2929 ( 8656 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6130 -34.6130 -34.6106 -34.6106 -34.6029 -34.6029 -20.4491 -20.4491 -20.3737 -20.3737 -7.1837 -7.1837 -6.9898 -6.9898 -5.2874 -5.2874 -5.1316 -5.1316 -5.0465 -5.0465 -4.8647 -4.8647 -0.0581 -0.0581 0.7235 0.7235 4.4783 4.4783 6.1691 6.1691 6.3551 6.3551 6.5244 6.5244 7.3732 7.3732 7.8736 7.8736 7.9164 7.9164 8.0087 8.0087 9.6580 9.6580 9.8596 9.8596 9.9542 9.9542 k = 0.0102 0.0102 0.2929 ( 8664 PWs) bands (ev): -67.9584 -67.9584 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6106 -34.6106 -34.6029 -34.6029 -20.4492 -20.4492 -20.3736 -20.3736 -7.1837 -7.1837 -6.9891 -6.9891 -5.2875 -5.2875 -5.1290 -5.1290 -5.0483 -5.0483 -4.8635 -4.8635 -0.0613 -0.0613 0.7199 0.7199 4.4749 4.4749 6.2497 6.2497 6.3715 6.3715 6.4472 6.4472 7.3854 7.3854 7.8461 7.8461 7.9220 7.9220 8.0055 8.0055 9.6594 9.6594 9.8785 9.8785 9.9699 9.9699 k = 0.0000 0.0000 0.2929 ( 8684 PWs) bands (ev): -67.9585 -67.9585 -67.9570 -67.9570 -34.9017 -34.9017 -34.8948 -34.8948 -34.6152 -34.6152 -34.6131 -34.6131 -34.6107 -34.6107 -34.6029 -34.6029 -20.4493 -20.4493 -20.3736 -20.3736 -7.1837 -7.1837 -6.9889 -6.9889 -5.2875 -5.2875 -5.1281 -5.1281 -5.0490 -5.0490 -4.8631 -4.8631 -0.0623 -0.0623 0.7187 0.7187 4.4738 4.4738 6.3063 6.3063 6.3583 6.3583 6.4106 6.4106 7.3896 7.3896 7.8368 7.8368 7.9224 7.9224 8.0058 8.0058 9.6598 9.6598 9.8844 9.8844 9.9764 9.9764 k = 0.0000 0.5000-0.0000 ( 8602 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1474 -7.1474 -7.1474 -7.1474 -5.3034 -5.3034 -5.3034 -5.3034 -4.9929 -4.9929 -4.9929 -4.9929 0.8149 0.8149 0.8149 0.8149 4.6587 4.6587 4.6587 4.6587 6.3068 6.3068 6.3068 6.3068 6.7390 6.7390 6.7390 6.7390 8.9459 8.9459 8.9459 8.9459 9.1562 9.1562 9.1562 9.1562 9.2948 9.2948 k = 0.0000 0.5000 0.0146 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1474 -7.1474 -7.1474 -7.1474 -5.3035 -5.3035 -5.3035 -5.3035 -4.9928 -4.9928 -4.9928 -4.9928 0.8153 0.8153 0.8153 0.8153 4.6562 4.6562 4.6562 4.6562 6.3088 6.3088 6.3088 6.3088 6.7383 6.7383 6.7383 6.7383 8.9220 8.9220 8.9220 8.9220 9.1835 9.1835 9.1835 9.1835 9.2990 9.2990 k = 0.0000 0.5000 0.0293 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1474 -7.1474 -7.1474 -7.1474 -5.3037 -5.3037 -5.3037 -5.3037 -4.9925 -4.9925 -4.9925 -4.9925 0.8166 0.8166 0.8166 0.8166 4.6485 4.6485 4.6485 4.6485 6.3146 6.3146 6.3146 6.3146 6.7362 6.7362 6.7362 6.7362 8.8709 8.8709 8.8709 8.8709 9.2431 9.2431 9.2431 9.2431 9.3127 9.3127 k = 0.0000 0.5000 0.0439 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1475 -7.1475 -7.1475 -7.1475 -5.3040 -5.3040 -5.3040 -5.3040 -4.9921 -4.9921 -4.9921 -4.9921 0.8187 0.8187 0.8187 0.8187 4.6360 4.6360 4.6360 4.6360 6.3238 6.3238 6.3238 6.3238 6.7329 6.7329 6.7329 6.7329 8.8139 8.8139 8.8139 8.8139 9.3042 9.3042 9.3042 9.3042 9.3450 9.3450 k = 0.0000 0.5000 0.0586 ( 8618 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1476 -7.1476 -7.1476 -7.1476 -5.3044 -5.3044 -5.3044 -5.3044 -4.9916 -4.9916 -4.9916 -4.9916 0.8215 0.8215 0.8215 0.8215 4.6193 4.6193 4.6193 4.6193 6.3361 6.3361 6.3361 6.3361 6.7284 6.7284 6.7284 6.7284 8.7585 8.7585 8.7585 8.7585 9.3427 9.3427 9.3427 9.3427 9.4113 9.4113 k = 0.0000 0.5000 0.0732 ( 8622 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1477 -7.1477 -7.1477 -7.1477 -5.3049 -5.3049 -5.3049 -5.3049 -4.9909 -4.9909 -4.9909 -4.9909 0.8251 0.8251 0.8251 0.8251 4.5988 4.5988 4.5988 4.5988 6.3509 6.3509 6.3509 6.3509 6.7228 6.7228 6.7228 6.7228 8.7075 8.7075 8.7075 8.7075 9.3776 9.3776 9.3776 9.3776 9.4881 9.4881 k = 0.0000 0.5000 0.0879 ( 8630 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8982 -34.8982 -34.8982 -34.8982 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1479 -7.1479 -7.1479 -7.1479 -5.3055 -5.3055 -5.3055 -5.3055 -4.9901 -4.9901 -4.9901 -4.9901 0.8293 0.8293 0.8293 0.8293 4.5753 4.5753 4.5753 4.5753 6.3673 6.3673 6.3673 6.3673 6.7163 6.7163 6.7163 6.7163 8.6622 8.6622 8.6622 8.6622 9.4175 9.4175 9.4175 9.4175 9.5636 9.5636 k = 0.0000 0.5000 0.1025 ( 8650 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1480 -7.1480 -7.1480 -7.1480 -5.3061 -5.3061 -5.3061 -5.3061 -4.9892 -4.9892 -4.9892 -4.9892 0.8340 0.8340 0.8340 0.8340 4.5496 4.5496 4.5496 4.5496 6.3848 6.3848 6.3848 6.3848 6.7092 6.7092 6.7092 6.7092 8.6230 8.6230 8.6230 8.6230 9.4632 9.4632 9.4632 9.4632 9.6337 9.6337 k = 0.0000 0.5000 0.1172 ( 8650 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1482 -7.1482 -7.1482 -7.1482 -5.3068 -5.3068 -5.3068 -5.3068 -4.9883 -4.9883 -4.9883 -4.9883 0.8392 0.8392 0.8392 0.8392 4.5223 4.5223 4.5223 4.5223 6.4026 6.4026 6.4026 6.4026 6.7015 6.7015 6.7015 6.7015 8.5904 8.5904 8.5904 8.5904 9.5148 9.5148 9.5148 9.5148 9.6955 9.6955 k = 0.0000 0.5000 0.1318 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1484 -7.1484 -7.1484 -7.1484 -5.3076 -5.3076 -5.3076 -5.3076 -4.9873 -4.9873 -4.9873 -4.9873 0.8447 0.8447 0.8447 0.8447 4.4942 4.4942 4.4942 4.4942 6.4201 6.4201 6.4201 6.4201 6.6936 6.6936 6.6936 6.6936 8.5643 8.5643 8.5643 8.5643 9.5720 9.5720 9.5720 9.5720 9.7469 9.7469 k = 0.0000 0.5000 0.1464 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1486 -7.1486 -7.1486 -7.1486 -5.3083 -5.3083 -5.3083 -5.3083 -4.9863 -4.9863 -4.9863 -4.9863 0.8503 0.8503 0.8503 0.8503 4.4660 4.4660 4.4660 4.4660 6.4369 6.4369 6.4369 6.4369 6.6856 6.6856 6.6856 6.6856 8.5446 8.5446 8.5446 8.5446 9.6343 9.6343 9.6343 9.6343 9.7867 9.7867 k = 0.0000 0.5000 0.1611 ( 8652 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6091 -34.6091 -34.6091 -34.6091 -20.4008 -20.4008 -20.4008 -20.4008 -7.1487 -7.1487 -7.1487 -7.1487 -5.3091 -5.3091 -5.3091 -5.3091 -4.9853 -4.9853 -4.9853 -4.9853 0.8560 0.8560 0.8560 0.8560 4.4384 4.4384 4.4384 4.4384 6.4524 6.4524 6.4524 6.4524 6.6777 6.6777 6.6777 6.6777 8.5308 8.5308 8.5308 8.5308 9.7008 9.7008 9.7008 9.7008 9.8152 9.8152 k = 0.0000 0.5000 0.1757 ( 8668 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1489 -7.1489 -7.1489 -7.1489 -5.3098 -5.3098 -5.3098 -5.3098 -4.9843 -4.9843 -4.9843 -4.9843 0.8616 0.8616 0.8616 0.8616 4.4120 4.4120 4.4120 4.4120 6.4665 6.4665 6.4665 6.4665 6.6701 6.6701 6.6701 6.6701 8.5224 8.5224 8.5224 8.5224 9.7683 9.7683 9.7683 9.7683 9.8361 9.8361 k = 0.0000 0.5000 0.1904 ( 8680 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1491 -7.1491 -7.1491 -7.1491 -5.3105 -5.3105 -5.3105 -5.3105 -4.9834 -4.9834 -4.9834 -4.9834 0.8669 0.8669 0.8669 0.8669 4.3873 4.3873 4.3873 4.3873 6.4788 6.4788 6.4788 6.4788 6.6630 6.6630 6.6630 6.6630 8.5186 8.5186 8.5186 8.5186 9.8161 9.8161 9.8161 9.8161 9.8714 9.8714 k = 0.0000 0.5000 0.2050 ( 8686 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1493 -7.1493 -7.1493 -7.1493 -5.3111 -5.3111 -5.3111 -5.3111 -4.9825 -4.9825 -4.9825 -4.9825 0.8719 0.8719 0.8719 0.8719 4.3649 4.3649 4.3649 4.3649 6.4893 6.4893 6.4893 6.4893 6.6565 6.6565 6.6565 6.6565 8.5185 8.5185 8.5185 8.5185 9.8251 9.8251 9.8251 9.8251 9.9416 9.9416 k = 0.0000 0.5000 0.2197 ( 8686 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1494 -7.1494 -7.1494 -7.1494 -5.3117 -5.3117 -5.3117 -5.3117 -4.9817 -4.9817 -4.9817 -4.9817 0.8764 0.8764 0.8764 0.8764 4.3452 4.3452 4.3452 4.3452 6.4981 6.4981 6.4981 6.4981 6.6508 6.6508 6.6508 6.6508 8.5211 8.5211 8.5211 8.5211 9.8218 9.8218 9.8218 9.8218 10.0218 10.0218 k = 0.0000 0.5000 0.2343 ( 8674 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1495 -7.1495 -7.1495 -7.1495 -5.3122 -5.3122 -5.3122 -5.3122 -4.9811 -4.9811 -4.9811 -4.9811 0.8802 0.8802 0.8802 0.8802 4.3286 4.3286 4.3286 4.3286 6.5050 6.5050 6.5050 6.5050 6.6459 6.6459 6.6459 6.6459 8.5253 8.5253 8.5253 8.5253 9.8145 9.8145 9.8145 9.8145 10.1041 10.1041 k = 0.0000 0.5000 0.2490 ( 8664 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1496 -7.1496 -7.1496 -7.1496 -5.3125 -5.3125 -5.3125 -5.3125 -4.9806 -4.9806 -4.9806 -4.9806 0.8833 0.8833 0.8833 0.8833 4.3153 4.3153 4.3153 4.3153 6.5103 6.5103 6.5103 6.5103 6.6421 6.6421 6.6421 6.6421 8.5299 8.5299 8.5299 8.5299 9.8061 9.8061 9.8061 9.8061 10.1850 10.1850 k = 0.0000 0.5000 0.2636 ( 8674 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1497 -7.1497 -7.1497 -7.1497 -5.3128 -5.3128 -5.3128 -5.3128 -4.9802 -4.9802 -4.9802 -4.9802 0.8856 0.8856 0.8856 0.8856 4.3056 4.3056 4.3056 4.3056 6.5140 6.5140 6.5140 6.5140 6.6393 6.6393 6.6393 6.6393 8.5341 8.5341 8.5341 8.5341 9.7988 9.7988 9.7988 9.7988 10.2585 10.2585 k = 0.0000 0.5000 0.2782 ( 8658 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1497 -7.1497 -7.1497 -7.1497 -5.3130 -5.3130 -5.3130 -5.3130 -4.9800 -4.9800 -4.9800 -4.9800 0.8869 0.8869 0.8869 0.8869 4.2998 4.2998 4.2998 4.2998 6.5162 6.5162 6.5162 6.5162 6.6376 6.6376 6.6376 6.6376 8.5369 8.5369 8.5369 8.5369 9.7938 9.7938 9.7938 9.7938 10.3143 10.3143 k = 0.0000 0.5000 0.2929 ( 8656 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8983 -34.8983 -34.8983 -34.8983 -34.6119 -34.6119 -34.6119 -34.6119 -34.6092 -34.6092 -34.6092 -34.6092 -20.4008 -20.4008 -20.4008 -20.4008 -7.1497 -7.1497 -7.1497 -7.1497 -5.3130 -5.3130 -5.3130 -5.3130 -4.9799 -4.9799 -4.9799 -4.9799 0.8874 0.8874 0.8874 0.8874 4.2978 4.2978 4.2978 4.2978 6.5170 6.5170 6.5170 6.5170 6.6370 6.6370 6.6370 6.6370 8.5379 8.5379 8.5379 8.5379 9.7921 9.7921 9.7921 9.7921 10.3362 10.3362 k = 0.5000 0.5000-0.0000 ( 8600 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3184 -5.3184 -5.3184 -5.3184 -5.0844 -5.0844 -5.0844 -5.0844 0.8696 0.8696 0.8696 0.8696 4.4300 4.4300 4.4300 4.4300 6.2019 6.2019 6.2019 6.2019 6.3049 6.3049 6.3049 6.3049 8.5780 8.5780 8.5780 8.5780 8.9312 8.9312 8.9312 8.9312 11.8834 11.8834 k = 0.5000 0.5000 0.0146 ( 8608 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3184 -5.3184 -5.3184 -5.3184 -5.0845 -5.0845 -5.0845 -5.0845 0.8702 0.8702 0.8702 0.8702 4.4298 4.4298 4.4298 4.4298 6.1989 6.1989 6.1989 6.1989 6.3032 6.3032 6.3032 6.3032 8.5779 8.5779 8.5779 8.5779 8.9411 8.9411 8.9411 8.9411 11.8736 11.8736 k = 0.5000 0.5000 0.0293 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3183 -5.3183 -5.3183 -5.3183 -5.0846 -5.0846 -5.0846 -5.0846 0.8717 0.8717 0.8717 0.8717 4.4293 4.4293 4.4293 4.4293 6.1889 6.1889 6.1889 6.1889 6.2992 6.2992 6.2992 6.2992 8.5774 8.5774 8.5774 8.5774 8.9703 8.9703 8.9703 8.9703 11.8447 11.8447 k = 0.5000 0.5000 0.0439 ( 8616 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3182 -5.3182 -5.3182 -5.3182 -5.0849 -5.0849 -5.0849 -5.0849 0.8743 0.8743 0.8743 0.8743 4.4285 4.4285 4.4285 4.4285 6.1700 6.1700 6.1700 6.1700 6.2957 6.2957 6.2957 6.2957 8.5767 8.5767 8.5767 8.5767 9.0179 9.0179 9.0179 9.0179 11.7994 11.7994 k = 0.5000 0.5000 0.0586 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3181 -5.3181 -5.3181 -5.3181 -5.0852 -5.0852 -5.0852 -5.0852 0.8779 0.8779 0.8779 0.8779 4.4275 4.4275 4.4275 4.4275 6.1414 6.1414 6.1414 6.1414 6.2950 6.2950 6.2950 6.2950 8.5760 8.5760 8.5760 8.5760 9.0822 9.0822 9.0822 9.0822 11.7409 11.7409 k = 0.5000 0.5000 0.0732 ( 8644 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3180 -5.3180 -5.3180 -5.3180 -5.0856 -5.0856 -5.0856 -5.0856 0.8823 0.8823 0.8823 0.8823 4.4261 4.4261 4.4261 4.4261 6.1039 6.1039 6.1039 6.1039 6.2975 6.2975 6.2975 6.2975 8.5752 8.5752 8.5752 8.5752 9.1614 9.1614 9.1614 9.1614 11.6732 11.6732 k = 0.5000 0.5000 0.0879 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3178 -5.3178 -5.3178 -5.3178 -5.0861 -5.0861 -5.0861 -5.0861 0.8875 0.8875 0.8875 0.8875 4.4245 4.4245 4.4245 4.4245 6.0596 6.0596 6.0596 6.0596 6.3029 6.3029 6.3029 6.3029 8.5744 8.5744 8.5744 8.5744 9.2536 9.2536 9.2536 9.2536 11.5995 11.5995 k = 0.5000 0.5000 0.1025 ( 8620 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3176 -5.3176 -5.3176 -5.3176 -5.0866 -5.0866 -5.0866 -5.0866 0.8934 0.8934 0.8934 0.8934 4.4228 4.4228 4.4228 4.4228 6.0107 6.0107 6.0107 6.0107 6.3103 6.3103 6.3103 6.3103 8.5737 8.5737 8.5737 8.5737 9.3567 9.3567 9.3567 9.3567 11.5229 11.5229 k = 0.5000 0.5000 0.1172 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3174 -5.3174 -5.3174 -5.3174 -5.0872 -5.0872 -5.0872 -5.0872 0.8998 0.8998 0.8998 0.8998 4.4209 4.4209 4.4209 4.4209 5.9591 5.9591 5.9591 5.9591 6.3193 6.3193 6.3193 6.3193 8.5730 8.5730 8.5730 8.5730 9.4688 9.4688 9.4688 9.4688 11.4456 11.4456 k = 0.5000 0.5000 0.1318 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3171 -5.3171 -5.3171 -5.3171 -5.0878 -5.0878 -5.0878 -5.0878 0.9065 0.9065 0.9065 0.9065 4.4190 4.4190 4.4190 4.4190 5.9067 5.9067 5.9067 5.9067 6.3294 6.3294 6.3294 6.3294 8.5724 8.5724 8.5724 8.5724 9.5877 9.5877 9.5877 9.5877 11.3694 11.3694 k = 0.5000 0.5000 0.1464 ( 8620 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3169 -5.3169 -5.3169 -5.3169 -5.0885 -5.0885 -5.0885 -5.0885 0.9135 0.9135 0.9135 0.9135 4.4170 4.4170 4.4170 4.4170 5.8548 5.8548 5.8548 5.8548 6.3401 6.3401 6.3401 6.3401 8.5719 8.5719 8.5719 8.5719 9.7117 9.7117 9.7117 9.7117 11.2958 11.2958 k = 0.5000 0.5000 0.1611 ( 8620 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3167 -5.3167 -5.3167 -5.3167 -5.0891 -5.0891 -5.0891 -5.0891 0.9205 0.9205 0.9205 0.9205 4.4150 4.4150 4.4150 4.4150 5.8046 5.8046 5.8046 5.8046 6.3511 6.3511 6.3511 6.3511 8.5715 8.5715 8.5715 8.5715 9.8387 9.8387 9.8387 9.8387 11.2261 11.2261 k = 0.5000 0.5000 0.1757 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3164 -5.3164 -5.3164 -5.3164 -5.0897 -5.0897 -5.0897 -5.0897 0.9275 0.9275 0.9275 0.9275 4.4131 4.4131 4.4131 4.4131 5.7572 5.7572 5.7572 5.7572 6.3621 6.3621 6.3621 6.3621 8.5711 8.5711 8.5711 8.5711 9.9664 9.9664 9.9664 9.9664 11.1614 11.1614 k = 0.5000 0.5000 0.1904 ( 8612 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3162 -5.3162 -5.3162 -5.3162 -5.0903 -5.0903 -5.0903 -5.0903 0.9341 0.9341 0.9341 0.9341 4.4113 4.4113 4.4113 4.4113 5.7135 5.7135 5.7135 5.7135 6.3726 6.3726 6.3726 6.3726 8.5708 8.5708 8.5708 8.5708 10.0924 10.0924 10.0924 10.0924 11.1025 11.1025 k = 0.5000 0.5000 0.2050 ( 8636 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3160 -5.3160 -5.3160 -5.3160 -5.0909 -5.0909 -5.0909 -5.0909 0.9402 0.9402 0.9402 0.9402 4.4097 4.4097 4.4097 4.4097 5.6742 5.6742 5.6742 5.6742 6.3824 6.3824 6.3824 6.3824 8.5706 8.5706 8.5706 8.5706 10.2140 10.2140 10.2140 10.2140 11.0503 11.0503 k = 0.5000 0.5000 0.2197 ( 8648 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3158 -5.3158 -5.3158 -5.3158 -5.0914 -5.0914 -5.0914 -5.0914 0.9457 0.9457 0.9457 0.9457 4.4082 4.4082 4.4082 4.4082 5.6400 5.6400 5.6400 5.6400 6.3913 6.3913 6.3913 6.3913 8.5705 8.5705 8.5705 8.5705 10.3278 10.3278 10.3278 10.3278 11.0055 11.0055 k = 0.5000 0.5000 0.2343 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3156 -5.3156 -5.3156 -5.3156 -5.0918 -5.0918 -5.0918 -5.0918 0.9504 0.9504 0.9504 0.9504 4.4070 4.4070 4.4070 4.4070 5.6113 5.6113 5.6113 5.6113 6.3989 6.3989 6.3989 6.3989 8.5704 8.5704 8.5704 8.5704 10.4298 10.4298 10.4298 10.4298 10.9687 10.9687 k = 0.5000 0.5000 0.2490 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3155 -5.3155 -5.3155 -5.3155 -5.0921 -5.0921 -5.0921 -5.0921 0.9542 0.9542 0.9542 0.9542 4.4060 4.4060 4.4060 4.4060 5.5886 5.5886 5.5886 5.5886 6.4051 6.4051 6.4051 6.4051 8.5704 8.5704 8.5704 8.5704 10.5158 10.5158 10.5158 10.5158 10.9404 10.9404 k = 0.5000 0.5000 0.2636 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3154 -5.3154 -5.3154 -5.3154 -5.0924 -5.0924 -5.0924 -5.0924 0.9570 0.9570 0.9570 0.9570 4.4053 4.4053 4.4053 4.4053 5.5721 5.5721 5.5721 5.5721 6.4096 6.4096 6.4096 6.4096 8.5703 8.5703 8.5703 8.5703 10.5809 10.5809 10.5809 10.5809 10.9209 10.9209 k = 0.5000 0.5000 0.2782 ( 8640 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3153 -5.3153 -5.3153 -5.3153 -5.0925 -5.0925 -5.0925 -5.0925 0.9587 0.9587 0.9587 0.9587 4.4049 4.4049 4.4049 4.4049 5.5621 5.5621 5.5621 5.5621 6.4124 6.4124 6.4124 6.4124 8.5703 8.5703 8.5703 8.5703 10.6214 10.6214 10.6214 10.6214 10.9099 10.9099 k = 0.5000 0.5000 0.2929 ( 8632 PWs) bands (ev): -67.9577 -67.9577 -67.9577 -67.9577 -34.8984 -34.8984 -34.8984 -34.8984 -34.6150 -34.6150 -34.6150 -34.6150 -34.6060 -34.6060 -34.6060 -34.6060 -20.3904 -20.3904 -20.3904 -20.3904 -7.1750 -7.1750 -7.1750 -7.1750 -5.3153 -5.3153 -5.3153 -5.3153 -5.0926 -5.0926 -5.0926 -5.0926 0.9593 0.9593 0.9593 0.9593 4.4047 4.4047 4.4047 4.4047 5.5588 5.5588 5.5588 5.5588 6.4133 6.4133 6.4133 6.4133 8.5703 8.5703 8.5703 8.5703 10.6351 10.6351 10.6351 10.6351 10.9065 10.9065 Writing output data file BaMgSi.save init_run : 0.45s CPU 0.62s WALL ( 1 calls) electrons : 285.97s CPU 289.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 285.96s CPU 289.60s 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 : 0.10s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.15s WALL ( 307 calls) cegterg : 266.50s CPU 269.34s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 163.54s CPU 165.56s WALL ( 10009 calls) s_psi : 9.37s CPU 9.29s WALL ( 10009 calls) g_psi : 0.41s CPU 0.49s WALL ( 9077 calls) cdiaghg : 69.63s CPU 70.58s WALL ( 9384 calls) cegterg:over : 12.79s CPU 12.84s WALL ( 9077 calls) cegterg:upda : 14.36s CPU 14.50s WALL ( 9077 calls) cegterg:last : 5.73s CPU 5.73s WALL ( 1239 calls) cdiaghg:chol : 3.82s CPU 4.11s WALL ( 9384 calls) cdiaghg:inve : 2.73s CPU 2.71s WALL ( 9384 calls) cdiaghg:para : 4.12s CPU 4.23s WALL ( 18768 calls) Called by h_psi: h_psi:vloc : 143.01s CPU 144.81s WALL ( 10009 calls) h_psi:vnl : 20.01s CPU 20.16s WALL ( 10009 calls) add_vuspsi : 9.90s CPU 10.10s WALL ( 10009 calls) General routines calbec : 10.08s CPU 10.04s WALL ( 10009 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.06s CPU 135.69s WALL ( 850116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.42s WALL ( 614 calls) Parallel routines fft_scatter : 45.31s CPU 46.30s WALL ( 850139 calls) PWSCF : 5m12.48s CPU 5m28.92s WALL This run was terminated on: 14:11:17 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=