Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:13: 2 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 40 11 1186 1161 181 Max 41 41 12 1191 1174 186 Sum 1473 1457 421 42795 42051 6635 bravais-lattice index = 14 lattice parameter (alat) = 7.5457 a.u. unit-cell volume = 434.0413 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.545676 celldm(2)= 1.000000 celldm(3)= 1.010268 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 1.010268 ) 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 0.989836 ) 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 398 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0025126 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0025126 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0025126 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0025126 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0025126 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0025126 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025126 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0025126 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025126 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0025126 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0025126 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0025126 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0025126 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025126 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0025126 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0025126 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0025126 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025126 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0025126 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0025126 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0025126 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025126 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0025126 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0025126 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0025126 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0025126 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0025126 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0025126 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025126 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0025126 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0025126 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0025126 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0025126 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0025126 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0025126 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0025126 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0025126 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0025126 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0025126 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0025126 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0025126 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0025126 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0025126 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0025126 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0025126 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0025126 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0025126 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0025126 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0025126 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0025126 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0025126 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025126 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0025126 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0025126 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0025126 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0025126 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0025126 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0025126 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025126 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0025126 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0025126 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0025126 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0025126 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0025126 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0025126 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025126 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0025126 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0025126 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0025126 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0025126 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025126 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0025126 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025126 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0025126 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0025126 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0025126 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0025126 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0025126 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0025126 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025126 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0025126 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0025126 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0025126 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0025126 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0025126 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0025126 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 141) = ( 0.0000000 0.0000000 0.0126902), wk = 0.0025126 k( 142) = ( 0.0000000 0.0000000 0.0253804), wk = 0.0025126 k( 143) = ( 0.0000000 0.0000000 0.0380706), wk = 0.0025126 k( 144) = ( 0.0000000 0.0000000 0.0507608), wk = 0.0025126 k( 145) = ( 0.0000000 0.0000000 0.0634510), wk = 0.0025126 k( 146) = ( 0.0000000 0.0000000 0.0761413), wk = 0.0025126 k( 147) = ( 0.0000000 0.0000000 0.0888315), wk = 0.0025126 k( 148) = ( 0.0000000 0.0000000 0.1015217), wk = 0.0025126 k( 149) = ( 0.0000000 0.0000000 0.1142119), wk = 0.0025126 k( 150) = ( 0.0000000 0.0000000 0.1269021), wk = 0.0025126 k( 151) = ( 0.0000000 0.0000000 0.1395923), wk = 0.0025126 k( 152) = ( 0.0000000 0.0000000 0.1522825), wk = 0.0025126 k( 153) = ( 0.0000000 0.0000000 0.1649727), wk = 0.0025126 k( 154) = ( 0.0000000 0.0000000 0.1776629), wk = 0.0025126 k( 155) = ( 0.0000000 0.0000000 0.1903531), wk = 0.0025126 k( 156) = ( 0.0000000 0.0000000 0.2030434), wk = 0.0025126 k( 157) = ( 0.0000000 0.0000000 0.2157336), wk = 0.0025126 k( 158) = ( 0.0000000 0.0000000 0.2284238), wk = 0.0025126 k( 159) = ( 0.0000000 0.0000000 0.2411140), wk = 0.0025126 k( 160) = ( 0.0000000 0.0000000 0.2538042), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.2664944), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.2791846), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.2918748), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.3045650), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.3172553), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.3299455), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.3426357), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.3553259), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3680161), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3807063), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3933965), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4060867), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4187769), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4314671), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.4441574), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.4568476), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.4695378), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.4822280), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.4949182), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.4949182), wk = 0.0025126 k( 181) = ( 0.0000000 0.0125000 0.4949182), wk = 0.0025126 k( 182) = ( 0.0000000 0.0250000 0.4949182), wk = 0.0025126 k( 183) = ( 0.0000000 0.0375000 0.4949182), wk = 0.0025126 k( 184) = ( 0.0000000 0.0500000 0.4949182), wk = 0.0025126 k( 185) = ( 0.0000000 0.0625000 0.4949182), wk = 0.0025126 k( 186) = ( 0.0000000 0.0750000 0.4949182), wk = 0.0025126 k( 187) = ( 0.0000000 0.0875000 0.4949182), wk = 0.0025126 k( 188) = ( 0.0000000 0.1000000 0.4949182), wk = 0.0025126 k( 189) = ( 0.0000000 0.1125000 0.4949182), wk = 0.0025126 k( 190) = ( 0.0000000 0.1250000 0.4949182), wk = 0.0025126 k( 191) = ( 0.0000000 0.1375000 0.4949182), wk = 0.0025126 k( 192) = ( 0.0000000 0.1500000 0.4949182), wk = 0.0025126 k( 193) = ( 0.0000000 0.1625000 0.4949182), wk = 0.0025126 k( 194) = ( 0.0000000 0.1750000 0.4949182), wk = 0.0025126 k( 195) = ( 0.0000000 0.1875000 0.4949182), wk = 0.0025126 k( 196) = ( 0.0000000 0.2000000 0.4949182), wk = 0.0025126 k( 197) = ( 0.0000000 0.2125000 0.4949182), wk = 0.0025126 k( 198) = ( 0.0000000 0.2250000 0.4949182), wk = 0.0025126 k( 199) = ( 0.0000000 0.2375000 0.4949182), wk = 0.0025126 k( 200) = ( 0.0000000 0.2500000 0.4949182), wk = 0.0025126 k( 201) = ( 0.0000000 0.2625000 0.4949182), wk = 0.0025126 k( 202) = ( 0.0000000 0.2750000 0.4949182), wk = 0.0025126 k( 203) = ( 0.0000000 0.2875000 0.4949182), wk = 0.0025126 k( 204) = ( 0.0000000 0.3000000 0.4949182), wk = 0.0025126 k( 205) = ( 0.0000000 0.3125000 0.4949182), wk = 0.0025126 k( 206) = ( 0.0000000 0.3250000 0.4949182), wk = 0.0025126 k( 207) = ( 0.0000000 0.3375000 0.4949182), wk = 0.0025126 k( 208) = ( 0.0000000 0.3500000 0.4949182), wk = 0.0025126 k( 209) = ( 0.0000000 0.3625000 0.4949182), wk = 0.0025126 k( 210) = ( 0.0000000 0.3750000 0.4949182), wk = 0.0025126 k( 211) = ( 0.0000000 0.3875000 0.4949182), wk = 0.0025126 k( 212) = ( 0.0000000 0.4000000 0.4949182), wk = 0.0025126 k( 213) = ( 0.0000000 0.4125000 0.4949182), wk = 0.0025126 k( 214) = ( 0.0000000 0.4250000 0.4949182), wk = 0.0025126 k( 215) = ( 0.0000000 0.4375000 0.4949182), wk = 0.0025126 k( 216) = ( 0.0000000 0.4500000 0.4949182), wk = 0.0025126 k( 217) = ( 0.0000000 0.4625000 0.4949182), wk = 0.0025126 k( 218) = ( 0.0000000 0.4750000 0.4949182), wk = 0.0025126 k( 219) = ( 0.0000000 0.4875000 0.4949182), wk = 0.0025126 k( 220) = ( 0.0000000 0.5000000 0.4949182), wk = 0.0025126 k( 221) = ( 0.0000000 0.5000000 0.4949182), wk = 0.0025126 k( 222) = ( 0.0125000 0.5000000 0.4949182), wk = 0.0025126 k( 223) = ( 0.0250000 0.5000000 0.4949182), wk = 0.0025126 k( 224) = ( 0.0375000 0.5000000 0.4949182), wk = 0.0025126 k( 225) = ( 0.0500000 0.5000000 0.4949182), wk = 0.0025126 k( 226) = ( 0.0625000 0.5000000 0.4949182), wk = 0.0025126 k( 227) = ( 0.0750000 0.5000000 0.4949182), wk = 0.0025126 k( 228) = ( 0.0875000 0.5000000 0.4949182), wk = 0.0025126 k( 229) = ( 0.1000000 0.5000000 0.4949182), wk = 0.0025126 k( 230) = ( 0.1125000 0.5000000 0.4949182), wk = 0.0025126 k( 231) = ( 0.1250000 0.5000000 0.4949182), wk = 0.0025126 k( 232) = ( 0.1375000 0.5000000 0.4949182), wk = 0.0025126 k( 233) = ( 0.1500000 0.5000000 0.4949182), wk = 0.0025126 k( 234) = ( 0.1625000 0.5000000 0.4949182), wk = 0.0025126 k( 235) = ( 0.1750000 0.5000000 0.4949182), wk = 0.0025126 k( 236) = ( 0.1875000 0.5000000 0.4949182), wk = 0.0025126 k( 237) = ( 0.2000000 0.5000000 0.4949182), wk = 0.0025126 k( 238) = ( 0.2125000 0.5000000 0.4949182), wk = 0.0025126 k( 239) = ( 0.2250000 0.5000000 0.4949182), wk = 0.0025126 k( 240) = ( 0.2375000 0.5000000 0.4949182), wk = 0.0025126 k( 241) = ( 0.2500000 0.5000000 0.4949182), wk = 0.0025126 k( 242) = ( 0.2625000 0.5000000 0.4949182), wk = 0.0025126 k( 243) = ( 0.2750000 0.5000000 0.4949182), wk = 0.0025126 k( 244) = ( 0.2875000 0.5000000 0.4949182), wk = 0.0025126 k( 245) = ( 0.3000000 0.5000000 0.4949182), wk = 0.0025126 k( 246) = ( 0.3125000 0.5000000 0.4949182), wk = 0.0025126 k( 247) = ( 0.3250000 0.5000000 0.4949182), wk = 0.0025126 k( 248) = ( 0.3375000 0.5000000 0.4949182), wk = 0.0025126 k( 249) = ( 0.3500000 0.5000000 0.4949182), wk = 0.0025126 k( 250) = ( 0.3625000 0.5000000 0.4949182), wk = 0.0025126 k( 251) = ( 0.3750000 0.5000000 0.4949182), wk = 0.0025126 k( 252) = ( 0.3875000 0.5000000 0.4949182), wk = 0.0025126 k( 253) = ( 0.4000000 0.5000000 0.4949182), wk = 0.0025126 k( 254) = ( 0.4125000 0.5000000 0.4949182), wk = 0.0025126 k( 255) = ( 0.4250000 0.5000000 0.4949182), wk = 0.0025126 k( 256) = ( 0.4375000 0.5000000 0.4949182), wk = 0.0025126 k( 257) = ( 0.4500000 0.5000000 0.4949182), wk = 0.0025126 k( 258) = ( 0.4625000 0.5000000 0.4949182), wk = 0.0025126 k( 259) = ( 0.4750000 0.5000000 0.4949182), wk = 0.0025126 k( 260) = ( 0.4875000 0.5000000 0.4949182), wk = 0.0025126 k( 261) = ( 0.5000000 0.5000000 0.4949182), wk = 0.0025126 k( 262) = ( 0.5000000 0.5000000 0.4949182), wk = 0.0025126 k( 263) = ( 0.4910714 0.4910714 0.4949182), wk = 0.0025126 k( 264) = ( 0.4821429 0.4821429 0.4949182), wk = 0.0025126 k( 265) = ( 0.4732143 0.4732143 0.4949182), wk = 0.0025126 k( 266) = ( 0.4642857 0.4642857 0.4949182), wk = 0.0025126 k( 267) = ( 0.4553571 0.4553571 0.4949182), wk = 0.0025126 k( 268) = ( 0.4464286 0.4464286 0.4949182), wk = 0.0025126 k( 269) = ( 0.4375000 0.4375000 0.4949182), wk = 0.0025126 k( 270) = ( 0.4285714 0.4285714 0.4949182), wk = 0.0025126 k( 271) = ( 0.4196429 0.4196429 0.4949182), wk = 0.0025126 k( 272) = ( 0.4107143 0.4107143 0.4949182), wk = 0.0025126 k( 273) = ( 0.4017857 0.4017857 0.4949182), wk = 0.0025126 k( 274) = ( 0.3928571 0.3928571 0.4949182), wk = 0.0025126 k( 275) = ( 0.3839286 0.3839286 0.4949182), wk = 0.0025126 k( 276) = ( 0.3750000 0.3750000 0.4949182), wk = 0.0025126 k( 277) = ( 0.3660714 0.3660714 0.4949182), wk = 0.0025126 k( 278) = ( 0.3571429 0.3571429 0.4949182), wk = 0.0025126 k( 279) = ( 0.3482143 0.3482143 0.4949182), wk = 0.0025126 k( 280) = ( 0.3392857 0.3392857 0.4949182), wk = 0.0025126 k( 281) = ( 0.3303571 0.3303571 0.4949182), wk = 0.0025126 k( 282) = ( 0.3214286 0.3214286 0.4949182), wk = 0.0025126 k( 283) = ( 0.3125000 0.3125000 0.4949182), wk = 0.0025126 k( 284) = ( 0.3035714 0.3035714 0.4949182), wk = 0.0025126 k( 285) = ( 0.2946429 0.2946429 0.4949182), wk = 0.0025126 k( 286) = ( 0.2857143 0.2857143 0.4949182), wk = 0.0025126 k( 287) = ( 0.2767857 0.2767857 0.4949182), wk = 0.0025126 k( 288) = ( 0.2678571 0.2678571 0.4949182), wk = 0.0025126 k( 289) = ( 0.2589286 0.2589286 0.4949182), wk = 0.0025126 k( 290) = ( 0.2500000 0.2500000 0.4949182), wk = 0.0025126 k( 291) = ( 0.2410714 0.2410714 0.4949182), wk = 0.0025126 k( 292) = ( 0.2321429 0.2321429 0.4949182), wk = 0.0025126 k( 293) = ( 0.2232143 0.2232143 0.4949182), wk = 0.0025126 k( 294) = ( 0.2142857 0.2142857 0.4949182), wk = 0.0025126 k( 295) = ( 0.2053571 0.2053571 0.4949182), wk = 0.0025126 k( 296) = ( 0.1964286 0.1964286 0.4949182), wk = 0.0025126 k( 297) = ( 0.1875000 0.1875000 0.4949182), wk = 0.0025126 k( 298) = ( 0.1785714 0.1785714 0.4949182), wk = 0.0025126 k( 299) = ( 0.1696429 0.1696429 0.4949182), wk = 0.0025126 k( 300) = ( 0.1607143 0.1607143 0.4949182), wk = 0.0025126 k( 301) = ( 0.1517857 0.1517857 0.4949182), wk = 0.0025126 k( 302) = ( 0.1428571 0.1428571 0.4949182), wk = 0.0025126 k( 303) = ( 0.1339286 0.1339286 0.4949182), wk = 0.0025126 k( 304) = ( 0.1250000 0.1250000 0.4949182), wk = 0.0025126 k( 305) = ( 0.1160714 0.1160714 0.4949182), wk = 0.0025126 k( 306) = ( 0.1071429 0.1071429 0.4949182), wk = 0.0025126 k( 307) = ( 0.0982143 0.0982143 0.4949182), wk = 0.0025126 k( 308) = ( 0.0892857 0.0892857 0.4949182), wk = 0.0025126 k( 309) = ( 0.0803571 0.0803571 0.4949182), wk = 0.0025126 k( 310) = ( 0.0714286 0.0714286 0.4949182), wk = 0.0025126 k( 311) = ( 0.0625000 0.0625000 0.4949182), wk = 0.0025126 k( 312) = ( 0.0535714 0.0535714 0.4949182), wk = 0.0025126 k( 313) = ( 0.0446429 0.0446429 0.4949182), wk = 0.0025126 k( 314) = ( 0.0357143 0.0357143 0.4949182), wk = 0.0025126 k( 315) = ( 0.0267857 0.0267857 0.4949182), wk = 0.0025126 k( 316) = ( 0.0178571 0.0178571 0.4949182), wk = 0.0025126 k( 317) = ( 0.0089286 0.0089286 0.4949182), wk = 0.0025126 k( 318) = ( 0.0000000 0.0000000 0.4949182), wk = 0.0025126 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 320) = ( 0.0000000 0.5000000 0.0126902), wk = 0.0025126 k( 321) = ( 0.0000000 0.5000000 0.0253804), wk = 0.0025126 k( 322) = ( 0.0000000 0.5000000 0.0380706), wk = 0.0025126 k( 323) = ( 0.0000000 0.5000000 0.0507608), wk = 0.0025126 k( 324) = ( 0.0000000 0.5000000 0.0634510), wk = 0.0025126 k( 325) = ( 0.0000000 0.5000000 0.0761413), wk = 0.0025126 k( 326) = ( 0.0000000 0.5000000 0.0888315), wk = 0.0025126 k( 327) = ( 0.0000000 0.5000000 0.1015217), wk = 0.0025126 k( 328) = ( 0.0000000 0.5000000 0.1142119), wk = 0.0025126 k( 329) = ( 0.0000000 0.5000000 0.1269021), wk = 0.0025126 k( 330) = ( 0.0000000 0.5000000 0.1395923), wk = 0.0025126 k( 331) = ( 0.0000000 0.5000000 0.1522825), wk = 0.0025126 k( 332) = ( 0.0000000 0.5000000 0.1649727), wk = 0.0025126 k( 333) = ( 0.0000000 0.5000000 0.1776629), wk = 0.0025126 k( 334) = ( 0.0000000 0.5000000 0.1903531), wk = 0.0025126 k( 335) = ( 0.0000000 0.5000000 0.2030434), wk = 0.0025126 k( 336) = ( 0.0000000 0.5000000 0.2157336), wk = 0.0025126 k( 337) = ( 0.0000000 0.5000000 0.2284238), wk = 0.0025126 k( 338) = ( 0.0000000 0.5000000 0.2411140), wk = 0.0025126 k( 339) = ( 0.0000000 0.5000000 0.2538042), wk = 0.0025126 k( 340) = ( 0.0000000 0.5000000 0.2664944), wk = 0.0025126 k( 341) = ( 0.0000000 0.5000000 0.2791846), wk = 0.0025126 k( 342) = ( 0.0000000 0.5000000 0.2918748), wk = 0.0025126 k( 343) = ( 0.0000000 0.5000000 0.3045650), wk = 0.0025126 k( 344) = ( 0.0000000 0.5000000 0.3172553), wk = 0.0025126 k( 345) = ( 0.0000000 0.5000000 0.3299455), wk = 0.0025126 k( 346) = ( 0.0000000 0.5000000 0.3426357), wk = 0.0025126 k( 347) = ( 0.0000000 0.5000000 0.3553259), wk = 0.0025126 k( 348) = ( 0.0000000 0.5000000 0.3680161), wk = 0.0025126 k( 349) = ( 0.0000000 0.5000000 0.3807063), wk = 0.0025126 k( 350) = ( 0.0000000 0.5000000 0.3933965), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 0.4060867), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.4187769), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.4314671), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.4441574), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.4568476), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.4695378), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.4822280), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.4949182), wk = 0.0025126 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 360) = ( 0.5000000 0.5000000 0.0126902), wk = 0.0025126 k( 361) = ( 0.5000000 0.5000000 0.0253804), wk = 0.0025126 k( 362) = ( 0.5000000 0.5000000 0.0380706), wk = 0.0025126 k( 363) = ( 0.5000000 0.5000000 0.0507608), wk = 0.0025126 k( 364) = ( 0.5000000 0.5000000 0.0634510), wk = 0.0025126 k( 365) = ( 0.5000000 0.5000000 0.0761413), wk = 0.0025126 k( 366) = ( 0.5000000 0.5000000 0.0888315), wk = 0.0025126 k( 367) = ( 0.5000000 0.5000000 0.1015217), wk = 0.0025126 k( 368) = ( 0.5000000 0.5000000 0.1142119), wk = 0.0025126 k( 369) = ( 0.5000000 0.5000000 0.1269021), wk = 0.0025126 k( 370) = ( 0.5000000 0.5000000 0.1395923), wk = 0.0025126 k( 371) = ( 0.5000000 0.5000000 0.1522825), wk = 0.0025126 k( 372) = ( 0.5000000 0.5000000 0.1649727), wk = 0.0025126 k( 373) = ( 0.5000000 0.5000000 0.1776629), wk = 0.0025126 k( 374) = ( 0.5000000 0.5000000 0.1903531), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 0.2030434), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.2157336), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.2284238), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.2411140), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.2538042), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.2664944), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.2791846), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.2918748), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.3045650), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.3172553), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.3299455), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.3426357), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.3553259), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.3680161), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3807063), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3933965), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.4060867), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.4187769), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.4314671), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4441574), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4568476), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4695378), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4822280), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.4949182), wk = 0.0025126 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025126 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0025126 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0025126 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0025126 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0025126 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0025126 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0025126 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025126 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0025126 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0025126 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0025126 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0025126 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0025126 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0025126 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0025126 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0025126 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0025126 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0025126 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025126 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0025126 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0025126 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0025126 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025126 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0025126 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0025126 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0025126 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0025126 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0025126 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0025126 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0025126 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0025126 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0025126 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0025126 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0025126 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0025126 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0025126 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0025126 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0025126 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0025126 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0025126 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0025126 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0025126 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0025126 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0025126 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0025126 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0025126 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0025126 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0025126 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0025126 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0025126 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0025126 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0025126 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0025126 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0025126 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0025126 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0025126 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0025126 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0025126 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0025126 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025126 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0025126 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0025126 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0025126 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0025126 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0025126 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0025126 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025126 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0025126 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0025126 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0025126 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0025126 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0025126 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0025126 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0025126 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0025126 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0025126 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0025126 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0025126 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0025126 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0025126 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0025126 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0025126 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0025126 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0025126 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0025126 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0025126 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0025126 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 141) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025126 k( 142) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025126 k( 143) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025126 k( 144) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0025126 k( 145) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025126 k( 146) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025126 k( 147) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025126 k( 148) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025126 k( 149) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025126 k( 150) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025126 k( 151) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025126 k( 152) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025126 k( 153) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025126 k( 154) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025126 k( 155) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025126 k( 156) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025126 k( 157) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025126 k( 158) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025126 k( 159) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025126 k( 160) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 181) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0025126 k( 182) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0025126 k( 183) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0025126 k( 184) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025126 k( 185) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0025126 k( 186) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0025126 k( 187) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0025126 k( 188) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025126 k( 189) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0025126 k( 190) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025126 k( 191) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0025126 k( 192) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025126 k( 193) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0025126 k( 194) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0025126 k( 195) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0025126 k( 196) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025126 k( 197) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0025126 k( 198) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0025126 k( 199) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0025126 k( 200) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025126 k( 201) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0025126 k( 202) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0025126 k( 203) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0025126 k( 204) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025126 k( 205) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0025126 k( 206) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0025126 k( 207) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0025126 k( 208) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025126 k( 209) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0025126 k( 210) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025126 k( 211) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0025126 k( 212) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025126 k( 213) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0025126 k( 214) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0025126 k( 215) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0025126 k( 216) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025126 k( 217) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0025126 k( 218) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0025126 k( 219) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0025126 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 221) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 222) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0025126 k( 223) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0025126 k( 224) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0025126 k( 225) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0025126 k( 226) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0025126 k( 227) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0025126 k( 228) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0025126 k( 229) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0025126 k( 230) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0025126 k( 231) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025126 k( 232) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0025126 k( 233) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0025126 k( 234) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0025126 k( 235) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0025126 k( 236) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0025126 k( 237) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0025126 k( 238) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0025126 k( 239) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0025126 k( 240) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0025126 k( 241) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025126 k( 242) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0025126 k( 243) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0025126 k( 244) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0025126 k( 245) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0025126 k( 246) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0025126 k( 247) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0025126 k( 248) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0025126 k( 249) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0025126 k( 250) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0025126 k( 251) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025126 k( 252) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0025126 k( 253) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0025126 k( 254) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0025126 k( 255) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0025126 k( 256) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0025126 k( 257) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0025126 k( 258) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0025126 k( 259) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0025126 k( 260) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0025126 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 263) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0025126 k( 264) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0025126 k( 265) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0025126 k( 266) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0025126 k( 267) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0025126 k( 268) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0025126 k( 269) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0025126 k( 270) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0025126 k( 271) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0025126 k( 272) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0025126 k( 273) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0025126 k( 274) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0025126 k( 275) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0025126 k( 276) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025126 k( 277) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0025126 k( 278) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0025126 k( 279) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0025126 k( 280) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0025126 k( 281) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0025126 k( 282) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0025126 k( 283) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0025126 k( 284) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0025126 k( 285) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0025126 k( 286) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0025126 k( 287) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0025126 k( 288) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0025126 k( 289) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0025126 k( 290) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025126 k( 291) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0025126 k( 292) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0025126 k( 293) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0025126 k( 294) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0025126 k( 295) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0025126 k( 296) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0025126 k( 297) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0025126 k( 298) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0025126 k( 299) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0025126 k( 300) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0025126 k( 301) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0025126 k( 302) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0025126 k( 303) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0025126 k( 304) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025126 k( 305) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0025126 k( 306) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0025126 k( 307) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0025126 k( 308) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0025126 k( 309) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0025126 k( 310) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0025126 k( 311) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0025126 k( 312) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0025126 k( 313) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0025126 k( 314) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0025126 k( 315) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0025126 k( 316) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0025126 k( 317) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0025126 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 319) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025126 k( 320) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0025126 k( 321) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0025126 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025126 k( 323) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0025126 k( 324) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0025126 k( 325) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025126 k( 326) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0025126 k( 327) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0025126 k( 328) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025126 k( 329) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0025126 k( 330) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0025126 k( 331) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025126 k( 332) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025126 k( 333) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0025126 k( 334) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025126 k( 335) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0025126 k( 336) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0025126 k( 337) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025126 k( 338) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0025126 k( 339) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0025126 k( 340) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025126 k( 341) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0025126 k( 342) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0025126 k( 343) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025126 k( 344) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0025126 k( 345) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025126 k( 346) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025126 k( 347) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0025126 k( 348) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0025126 k( 349) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025126 k( 350) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 359) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 360) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0025126 k( 361) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0025126 k( 362) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025126 k( 363) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0025126 k( 364) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0025126 k( 365) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025126 k( 366) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0025126 k( 367) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0025126 k( 368) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025126 k( 369) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0025126 k( 370) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0025126 k( 371) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025126 k( 372) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025126 k( 373) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0025126 k( 374) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 Dense grid: 42795 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 42051 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 312, 48) NL pseudopotentials 0.26 Mb ( 156, 111) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1189) G-vector shells 0.00 Mb ( 554) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 312, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 14 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.5 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.5 secs Computing kpt #: 20 total cpu time spent up to now is 17.2 secs Computing kpt #: 21 total cpu time spent up to now is 18.0 secs Computing kpt #: 22 total cpu time spent up to now is 18.8 secs Computing kpt #: 23 total cpu time spent up to now is 19.6 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.2 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.8 secs Computing kpt #: 28 total cpu time spent up to now is 23.6 secs Computing kpt #: 29 total cpu time spent up to now is 24.4 secs Computing kpt #: 30 total cpu time spent up to now is 25.3 secs Computing kpt #: 31 total cpu time spent up to now is 26.1 secs Computing kpt #: 32 total cpu time spent up to now is 26.9 secs Computing kpt #: 33 total cpu time spent up to now is 27.7 secs Computing kpt #: 34 total cpu time spent up to now is 28.5 secs Computing kpt #: 35 total cpu time spent up to now is 29.3 secs Computing kpt #: 36 total cpu time spent up to now is 30.2 secs Computing kpt #: 37 total cpu time spent up to now is 30.9 secs Computing kpt #: 38 total cpu time spent up to now is 31.7 secs Computing kpt #: 39 total cpu time spent up to now is 32.6 secs Computing kpt #: 40 total cpu time spent up to now is 33.4 secs Computing kpt #: 41 total cpu time spent up to now is 34.3 secs Computing kpt #: 42 total cpu time spent up to now is 35.1 secs Computing kpt #: 43 total cpu time spent up to now is 35.9 secs Computing kpt #: 44 total cpu time spent up to now is 36.8 secs Computing kpt #: 45 total cpu time spent up to now is 37.6 secs Computing kpt #: 46 total cpu time spent up to now is 38.4 secs Computing kpt #: 47 total cpu time spent up to now is 39.3 secs Computing kpt #: 48 total cpu time spent up to now is 40.1 secs Computing kpt #: 49 total cpu time spent up to now is 41.0 secs Computing kpt #: 50 total cpu time spent up to now is 41.8 secs Computing kpt #: 51 total cpu time spent up to now is 42.6 secs Computing kpt #: 52 total cpu time spent up to now is 43.4 secs Computing kpt #: 53 total cpu time spent up to now is 44.2 secs Computing kpt #: 54 total cpu time spent up to now is 45.0 secs Computing kpt #: 55 total cpu time spent up to now is 45.8 secs Computing kpt #: 56 total cpu time spent up to now is 46.4 secs Computing kpt #: 57 total cpu time spent up to now is 47.2 secs Computing kpt #: 58 total cpu time spent up to now is 48.0 secs Computing kpt #: 59 total cpu time spent up to now is 48.8 secs Computing kpt #: 60 total cpu time spent up to now is 49.4 secs Computing kpt #: 61 total cpu time spent up to now is 50.1 secs Computing kpt #: 62 total cpu time spent up to now is 50.8 secs Computing kpt #: 63 total cpu time spent up to now is 51.4 secs Computing kpt #: 64 total cpu time spent up to now is 52.1 secs Computing kpt #: 65 total cpu time spent up to now is 52.7 secs Computing kpt #: 66 total cpu time spent up to now is 53.4 secs Computing kpt #: 67 total cpu time spent up to now is 54.1 secs Computing kpt #: 68 total cpu time spent up to now is 54.7 secs Computing kpt #: 69 total cpu time spent up to now is 55.4 secs Computing kpt #: 70 total cpu time spent up to now is 56.0 secs Computing kpt #: 71 total cpu time spent up to now is 56.7 secs Computing kpt #: 72 total cpu time spent up to now is 57.3 secs Computing kpt #: 73 total cpu time spent up to now is 57.9 secs Computing kpt #: 74 total cpu time spent up to now is 58.5 secs Computing kpt #: 75 total cpu time spent up to now is 59.0 secs Computing kpt #: 76 total cpu time spent up to now is 59.6 secs Computing kpt #: 77 total cpu time spent up to now is 60.1 secs Computing kpt #: 78 total cpu time spent up to now is 60.6 secs Computing kpt #: 79 total cpu time spent up to now is 61.2 secs Computing kpt #: 80 total cpu time spent up to now is 61.7 secs Computing kpt #: 81 total cpu time spent up to now is 62.2 secs Computing kpt #: 82 total cpu time spent up to now is 62.8 secs Computing kpt #: 83 total cpu time spent up to now is 63.3 secs Computing kpt #: 84 total cpu time spent up to now is 63.8 secs Computing kpt #: 85 total cpu time spent up to now is 64.3 secs Computing kpt #: 86 total cpu time spent up to now is 64.9 secs Computing kpt #: 87 total cpu time spent up to now is 65.4 secs Computing kpt #: 88 total cpu time spent up to now is 66.1 secs Computing kpt #: 89 total cpu time spent up to now is 66.7 secs Computing kpt #: 90 total cpu time spent up to now is 67.4 secs Computing kpt #: 91 total cpu time spent up to now is 68.0 secs Computing kpt #: 92 total cpu time spent up to now is 68.7 secs Computing kpt #: 93 total cpu time spent up to now is 69.3 secs Computing kpt #: 94 total cpu time spent up to now is 70.0 secs Computing kpt #: 95 total cpu time spent up to now is 70.6 secs Computing kpt #: 96 total cpu time spent up to now is 71.3 secs Computing kpt #: 97 total cpu time spent up to now is 71.9 secs Computing kpt #: 98 total cpu time spent up to now is 72.6 secs Computing kpt #: 99 total cpu time spent up to now is 73.3 secs Computing kpt #: 100 total cpu time spent up to now is 73.9 secs Computing kpt #: 101 total cpu time spent up to now is 74.6 secs Computing kpt #: 102 total cpu time spent up to now is 75.3 secs Computing kpt #: 103 total cpu time spent up to now is 76.0 secs Computing kpt #: 104 total cpu time spent up to now is 76.6 secs Computing kpt #: 105 total cpu time spent up to now is 77.2 secs Computing kpt #: 106 total cpu time spent up to now is 77.9 secs Computing kpt #: 107 total cpu time spent up to now is 78.6 secs Computing kpt #: 108 total cpu time spent up to now is 79.3 secs Computing kpt #: 109 total cpu time spent up to now is 79.9 secs Computing kpt #: 110 total cpu time spent up to now is 80.6 secs Computing kpt #: 111 total cpu time spent up to now is 81.4 secs Computing kpt #: 112 total cpu time spent up to now is 82.0 secs Computing kpt #: 113 total cpu time spent up to now is 82.7 secs Computing kpt #: 114 total cpu time spent up to now is 83.4 secs Computing kpt #: 115 total cpu time spent up to now is 84.1 secs Computing kpt #: 116 total cpu time spent up to now is 84.8 secs Computing kpt #: 117 total cpu time spent up to now is 85.4 secs Computing kpt #: 118 total cpu time spent up to now is 86.1 secs Computing kpt #: 119 total cpu time spent up to now is 86.8 secs Computing kpt #: 120 total cpu time spent up to now is 87.5 secs Computing kpt #: 121 total cpu time spent up to now is 88.2 secs Computing kpt #: 122 total cpu time spent up to now is 88.9 secs Computing kpt #: 123 total cpu time spent up to now is 89.6 secs Computing kpt #: 124 total cpu time spent up to now is 90.3 secs Computing kpt #: 125 total cpu time spent up to now is 91.0 secs Computing kpt #: 126 total cpu time spent up to now is 91.7 secs Computing kpt #: 127 total cpu time spent up to now is 92.3 secs Computing kpt #: 128 total cpu time spent up to now is 93.0 secs Computing kpt #: 129 total cpu time spent up to now is 93.7 secs Computing kpt #: 130 total cpu time spent up to now is 94.4 secs Computing kpt #: 131 total cpu time spent up to now is 95.2 secs Computing kpt #: 132 total cpu time spent up to now is 95.8 secs Computing kpt #: 133 total cpu time spent up to now is 96.4 secs Computing kpt #: 134 total cpu time spent up to now is 97.1 secs Computing kpt #: 135 total cpu time spent up to now is 97.8 secs Computing kpt #: 136 total cpu time spent up to now is 98.4 secs Computing kpt #: 137 total cpu time spent up to now is 99.0 secs Computing kpt #: 138 total cpu time spent up to now is 99.7 secs Computing kpt #: 139 total cpu time spent up to now is 100.4 secs Computing kpt #: 140 total cpu time spent up to now is 101.1 secs Computing kpt #: 141 total cpu time spent up to now is 101.8 secs Computing kpt #: 142 total cpu time spent up to now is 102.5 secs Computing kpt #: 143 total cpu time spent up to now is 103.2 secs Computing kpt #: 144 total cpu time spent up to now is 103.9 secs Computing kpt #: 145 total cpu time spent up to now is 104.6 secs Computing kpt #: 146 total cpu time spent up to now is 105.2 secs Computing kpt #: 147 total cpu time spent up to now is 105.8 secs Computing kpt #: 148 total cpu time spent up to now is 106.6 secs Computing kpt #: 149 total cpu time spent up to now is 107.3 secs Computing kpt #: 150 total cpu time spent up to now is 108.1 secs Computing kpt #: 151 total cpu time spent up to now is 108.8 secs Computing kpt #: 152 total cpu time spent up to now is 109.5 secs Computing kpt #: 153 total cpu time spent up to now is 110.2 secs Computing kpt #: 154 total cpu time spent up to now is 111.0 secs Computing kpt #: 155 total cpu time spent up to now is 111.7 secs Computing kpt #: 156 total cpu time spent up to now is 112.4 secs Computing kpt #: 157 total cpu time spent up to now is 113.2 secs Computing kpt #: 158 total cpu time spent up to now is 113.9 secs Computing kpt #: 159 total cpu time spent up to now is 114.6 secs Computing kpt #: 160 total cpu time spent up to now is 115.4 secs Computing kpt #: 161 total cpu time spent up to now is 116.2 secs Computing kpt #: 162 total cpu time spent up to now is 116.9 secs Computing kpt #: 163 total cpu time spent up to now is 117.6 secs Computing kpt #: 164 total cpu time spent up to now is 118.4 secs Computing kpt #: 165 total cpu time spent up to now is 119.1 secs Computing kpt #: 166 total cpu time spent up to now is 119.9 secs Computing kpt #: 167 total cpu time spent up to now is 120.6 secs Computing kpt #: 168 total cpu time spent up to now is 121.3 secs Computing kpt #: 169 total cpu time spent up to now is 122.0 secs Computing kpt #: 170 total cpu time spent up to now is 122.8 secs Computing kpt #: 171 total cpu time spent up to now is 123.5 secs Computing kpt #: 172 total cpu time spent up to now is 124.2 secs Computing kpt #: 173 total cpu time spent up to now is 125.0 secs Computing kpt #: 174 total cpu time spent up to now is 125.7 secs Computing kpt #: 175 total cpu time spent up to now is 126.4 secs Computing kpt #: 176 total cpu time spent up to now is 127.2 secs Computing kpt #: 177 total cpu time spent up to now is 127.9 secs Computing kpt #: 178 total cpu time spent up to now is 128.7 secs Computing kpt #: 179 total cpu time spent up to now is 129.4 secs Computing kpt #: 180 total cpu time spent up to now is 130.2 secs Computing kpt #: 181 total cpu time spent up to now is 130.8 secs Computing kpt #: 182 total cpu time spent up to now is 131.5 secs Computing kpt #: 183 total cpu time spent up to now is 132.3 secs Computing kpt #: 184 total cpu time spent up to now is 133.0 secs Computing kpt #: 185 total cpu time spent up to now is 133.7 secs Computing kpt #: 186 total cpu time spent up to now is 134.4 secs Computing kpt #: 187 total cpu time spent up to now is 135.1 secs Computing kpt #: 188 total cpu time spent up to now is 135.7 secs Computing kpt #: 189 total cpu time spent up to now is 136.5 secs Computing kpt #: 190 total cpu time spent up to now is 137.2 secs Computing kpt #: 191 total cpu time spent up to now is 138.0 secs Computing kpt #: 192 total cpu time spent up to now is 138.7 secs Computing kpt #: 193 total cpu time spent up to now is 139.5 secs Computing kpt #: 194 total cpu time spent up to now is 140.2 secs Computing kpt #: 195 total cpu time spent up to now is 140.9 secs Computing kpt #: 196 total cpu time spent up to now is 141.6 secs Computing kpt #: 197 total cpu time spent up to now is 142.4 secs Computing kpt #: 198 total cpu time spent up to now is 143.1 secs Computing kpt #: 199 total cpu time spent up to now is 143.8 secs Computing kpt #: 200 total cpu time spent up to now is 144.6 secs Computing kpt #: 201 total cpu time spent up to now is 145.3 secs Computing kpt #: 202 total cpu time spent up to now is 146.1 secs Computing kpt #: 203 total cpu time spent up to now is 146.9 secs Computing kpt #: 204 total cpu time spent up to now is 147.7 secs Computing kpt #: 205 total cpu time spent up to now is 148.4 secs Computing kpt #: 206 total cpu time spent up to now is 149.2 secs Computing kpt #: 207 total cpu time spent up to now is 150.0 secs Computing kpt #: 208 total cpu time spent up to now is 150.7 secs Computing kpt #: 209 total cpu time spent up to now is 151.5 secs Computing kpt #: 210 total cpu time spent up to now is 152.3 secs Computing kpt #: 211 total cpu time spent up to now is 153.0 secs Computing kpt #: 212 total cpu time spent up to now is 153.8 secs Computing kpt #: 213 total cpu time spent up to now is 154.6 secs Computing kpt #: 214 total cpu time spent up to now is 155.4 secs Computing kpt #: 215 total cpu time spent up to now is 156.2 secs Computing kpt #: 216 total cpu time spent up to now is 156.9 secs Computing kpt #: 217 total cpu time spent up to now is 157.6 secs Computing kpt #: 218 total cpu time spent up to now is 158.4 secs Computing kpt #: 219 total cpu time spent up to now is 159.1 secs Computing kpt #: 220 total cpu time spent up to now is 159.9 secs Computing kpt #: 221 total cpu time spent up to now is 160.6 secs Computing kpt #: 222 total cpu time spent up to now is 161.3 secs Computing kpt #: 223 total cpu time spent up to now is 162.1 secs Computing kpt #: 224 total cpu time spent up to now is 162.8 secs Computing kpt #: 225 total cpu time spent up to now is 163.6 secs Computing kpt #: 226 total cpu time spent up to now is 164.3 secs Computing kpt #: 227 total cpu time spent up to now is 165.0 secs Computing kpt #: 228 total cpu time spent up to now is 165.8 secs Computing kpt #: 229 total cpu time spent up to now is 166.5 secs Computing kpt #: 230 total cpu time spent up to now is 167.3 secs Computing kpt #: 231 total cpu time spent up to now is 168.0 secs Computing kpt #: 232 total cpu time spent up to now is 168.8 secs Computing kpt #: 233 total cpu time spent up to now is 169.6 secs Computing kpt #: 234 total cpu time spent up to now is 170.3 secs Computing kpt #: 235 total cpu time spent up to now is 171.1 secs Computing kpt #: 236 total cpu time spent up to now is 171.9 secs Computing kpt #: 237 total cpu time spent up to now is 172.7 secs Computing kpt #: 238 total cpu time spent up to now is 173.5 secs Computing kpt #: 239 total cpu time spent up to now is 174.3 secs Computing kpt #: 240 total cpu time spent up to now is 175.2 secs Computing kpt #: 241 total cpu time spent up to now is 176.0 secs Computing kpt #: 242 total cpu time spent up to now is 176.8 secs Computing kpt #: 243 total cpu time spent up to now is 177.6 secs Computing kpt #: 244 total cpu time spent up to now is 178.4 secs Computing kpt #: 245 total cpu time spent up to now is 179.2 secs Computing kpt #: 246 total cpu time spent up to now is 179.9 secs Computing kpt #: 247 total cpu time spent up to now is 180.7 secs Computing kpt #: 248 total cpu time spent up to now is 181.5 secs Computing kpt #: 249 total cpu time spent up to now is 182.2 secs Computing kpt #: 250 total cpu time spent up to now is 183.0 secs Computing kpt #: 251 total cpu time spent up to now is 183.8 secs Computing kpt #: 252 total cpu time spent up to now is 184.5 secs Computing kpt #: 253 total cpu time spent up to now is 185.3 secs Computing kpt #: 254 total cpu time spent up to now is 186.1 secs Computing kpt #: 255 total cpu time spent up to now is 186.8 secs Computing kpt #: 256 total cpu time spent up to now is 187.6 secs Computing kpt #: 257 total cpu time spent up to now is 188.4 secs Computing kpt #: 258 total cpu time spent up to now is 189.2 secs Computing kpt #: 259 total cpu time spent up to now is 189.9 secs Computing kpt #: 260 total cpu time spent up to now is 190.6 secs Computing kpt #: 261 total cpu time spent up to now is 191.3 secs Computing kpt #: 262 total cpu time spent up to now is 192.0 secs Computing kpt #: 263 total cpu time spent up to now is 192.7 secs Computing kpt #: 264 total cpu time spent up to now is 193.5 secs Computing kpt #: 265 total cpu time spent up to now is 194.3 secs Computing kpt #: 266 total cpu time spent up to now is 195.1 secs Computing kpt #: 267 total cpu time spent up to now is 195.9 secs Computing kpt #: 268 total cpu time spent up to now is 196.7 secs Computing kpt #: 269 total cpu time spent up to now is 197.5 secs Computing kpt #: 270 total cpu time spent up to now is 198.2 secs Computing kpt #: 271 total cpu time spent up to now is 199.0 secs Computing kpt #: 272 total cpu time spent up to now is 199.9 secs Computing kpt #: 273 total cpu time spent up to now is 200.7 secs Computing kpt #: 274 total cpu time spent up to now is 201.5 secs Computing kpt #: 275 total cpu time spent up to now is 202.3 secs Computing kpt #: 276 total cpu time spent up to now is 203.1 secs Computing kpt #: 277 total cpu time spent up to now is 203.9 secs Computing kpt #: 278 total cpu time spent up to now is 204.7 secs Computing kpt #: 279 total cpu time spent up to now is 205.5 secs Computing kpt #: 280 total cpu time spent up to now is 206.4 secs Computing kpt #: 281 total cpu time spent up to now is 207.2 secs Computing kpt #: 282 total cpu time spent up to now is 208.1 secs Computing kpt #: 283 total cpu time spent up to now is 208.9 secs Computing kpt #: 284 total cpu time spent up to now is 209.7 secs Computing kpt #: 285 total cpu time spent up to now is 210.5 secs Computing kpt #: 286 total cpu time spent up to now is 211.2 secs Computing kpt #: 287 total cpu time spent up to now is 212.0 secs Computing kpt #: 288 total cpu time spent up to now is 212.8 secs Computing kpt #: 289 total cpu time spent up to now is 213.5 secs Computing kpt #: 290 total cpu time spent up to now is 214.3 secs Computing kpt #: 291 total cpu time spent up to now is 215.1 secs Computing kpt #: 292 total cpu time spent up to now is 215.9 secs Computing kpt #: 293 total cpu time spent up to now is 216.6 secs Computing kpt #: 294 total cpu time spent up to now is 217.4 secs Computing kpt #: 295 total cpu time spent up to now is 218.2 secs Computing kpt #: 296 total cpu time spent up to now is 218.9 secs Computing kpt #: 297 total cpu time spent up to now is 219.7 secs Computing kpt #: 298 total cpu time spent up to now is 220.5 secs Computing kpt #: 299 total cpu time spent up to now is 221.2 secs Computing kpt #: 300 total cpu time spent up to now is 222.0 secs Computing kpt #: 301 total cpu time spent up to now is 222.8 secs Computing kpt #: 302 total cpu time spent up to now is 223.5 secs Computing kpt #: 303 total cpu time spent up to now is 224.3 secs Computing kpt #: 304 total cpu time spent up to now is 225.1 secs Computing kpt #: 305 total cpu time spent up to now is 225.8 secs Computing kpt #: 306 total cpu time spent up to now is 226.5 secs Computing kpt #: 307 total cpu time spent up to now is 227.3 secs Computing kpt #: 308 total cpu time spent up to now is 228.0 secs Computing kpt #: 309 total cpu time spent up to now is 228.8 secs Computing kpt #: 310 total cpu time spent up to now is 229.5 secs Computing kpt #: 311 total cpu time spent up to now is 230.2 secs Computing kpt #: 312 total cpu time spent up to now is 230.9 secs Computing kpt #: 313 total cpu time spent up to now is 231.7 secs Computing kpt #: 314 total cpu time spent up to now is 232.4 secs Computing kpt #: 315 total cpu time spent up to now is 233.1 secs Computing kpt #: 316 total cpu time spent up to now is 233.8 secs Computing kpt #: 317 total cpu time spent up to now is 234.5 secs Computing kpt #: 318 total cpu time spent up to now is 235.3 secs Computing kpt #: 319 total cpu time spent up to now is 236.1 secs Computing kpt #: 320 total cpu time spent up to now is 236.9 secs Computing kpt #: 321 total cpu time spent up to now is 237.7 secs Computing kpt #: 322 total cpu time spent up to now is 238.6 secs Computing kpt #: 323 total cpu time spent up to now is 239.4 secs Computing kpt #: 324 total cpu time spent up to now is 240.2 secs Computing kpt #: 325 total cpu time spent up to now is 241.0 secs Computing kpt #: 326 total cpu time spent up to now is 241.8 secs Computing kpt #: 327 total cpu time spent up to now is 242.6 secs Computing kpt #: 328 total cpu time spent up to now is 243.4 secs Computing kpt #: 329 total cpu time spent up to now is 244.2 secs Computing kpt #: 330 total cpu time spent up to now is 245.0 secs Computing kpt #: 331 total cpu time spent up to now is 245.8 secs Computing kpt #: 332 total cpu time spent up to now is 246.6 secs Computing kpt #: 333 total cpu time spent up to now is 247.4 secs Computing kpt #: 334 total cpu time spent up to now is 248.2 secs Computing kpt #: 335 total cpu time spent up to now is 248.9 secs Computing kpt #: 336 total cpu time spent up to now is 249.7 secs Computing kpt #: 337 total cpu time spent up to now is 250.5 secs Computing kpt #: 338 total cpu time spent up to now is 251.3 secs Computing kpt #: 339 total cpu time spent up to now is 252.1 secs Computing kpt #: 340 total cpu time spent up to now is 252.8 secs Computing kpt #: 341 total cpu time spent up to now is 253.6 secs Computing kpt #: 342 total cpu time spent up to now is 254.4 secs Computing kpt #: 343 total cpu time spent up to now is 255.1 secs Computing kpt #: 344 total cpu time spent up to now is 255.8 secs Computing kpt #: 345 total cpu time spent up to now is 256.6 secs Computing kpt #: 346 total cpu time spent up to now is 257.4 secs Computing kpt #: 347 total cpu time spent up to now is 258.1 secs Computing kpt #: 348 total cpu time spent up to now is 258.9 secs Computing kpt #: 349 total cpu time spent up to now is 259.7 secs Computing kpt #: 350 total cpu time spent up to now is 260.5 secs Computing kpt #: 351 total cpu time spent up to now is 261.3 secs Computing kpt #: 352 total cpu time spent up to now is 262.0 secs Computing kpt #: 353 total cpu time spent up to now is 262.7 secs Computing kpt #: 354 total cpu time spent up to now is 263.5 secs Computing kpt #: 355 total cpu time spent up to now is 264.2 secs Computing kpt #: 356 total cpu time spent up to now is 265.0 secs Computing kpt #: 357 total cpu time spent up to now is 265.8 secs Computing kpt #: 358 total cpu time spent up to now is 266.5 secs Computing kpt #: 359 total cpu time spent up to now is 267.0 secs Computing kpt #: 360 total cpu time spent up to now is 267.5 secs Computing kpt #: 361 total cpu time spent up to now is 268.1 secs Computing kpt #: 362 total cpu time spent up to now is 268.6 secs Computing kpt #: 363 total cpu time spent up to now is 269.1 secs Computing kpt #: 364 total cpu time spent up to now is 269.7 secs Computing kpt #: 365 total cpu time spent up to now is 270.2 secs Computing kpt #: 366 total cpu time spent up to now is 270.7 secs Computing kpt #: 367 total cpu time spent up to now is 271.3 secs Computing kpt #: 368 total cpu time spent up to now is 271.8 secs Computing kpt #: 369 total cpu time spent up to now is 272.4 secs Computing kpt #: 370 total cpu time spent up to now is 272.9 secs Computing kpt #: 371 total cpu time spent up to now is 273.5 secs Computing kpt #: 372 total cpu time spent up to now is 274.1 secs Computing kpt #: 373 total cpu time spent up to now is 274.7 secs Computing kpt #: 374 total cpu time spent up to now is 275.4 secs Computing kpt #: 375 total cpu time spent up to now is 276.0 secs Computing kpt #: 376 total cpu time spent up to now is 276.6 secs Computing kpt #: 377 total cpu time spent up to now is 277.1 secs Computing kpt #: 378 total cpu time spent up to now is 277.7 secs Computing kpt #: 379 total cpu time spent up to now is 278.4 secs Computing kpt #: 380 total cpu time spent up to now is 279.0 secs Computing kpt #: 381 total cpu time spent up to now is 279.5 secs Computing kpt #: 382 total cpu time spent up to now is 280.3 secs Computing kpt #: 383 total cpu time spent up to now is 281.0 secs Computing kpt #: 384 total cpu time spent up to now is 281.9 secs Computing kpt #: 385 total cpu time spent up to now is 282.5 secs Computing kpt #: 386 total cpu time spent up to now is 283.2 secs Computing kpt #: 387 total cpu time spent up to now is 283.9 secs Computing kpt #: 388 total cpu time spent up to now is 284.8 secs Computing kpt #: 389 total cpu time spent up to now is 285.5 secs Computing kpt #: 390 total cpu time spent up to now is 286.2 secs Computing kpt #: 391 total cpu time spent up to now is 286.9 secs Computing kpt #: 392 total cpu time spent up to now is 287.6 secs Computing kpt #: 393 total cpu time spent up to now is 288.3 secs Computing kpt #: 394 total cpu time spent up to now is 289.0 secs Computing kpt #: 395 total cpu time spent up to now is 289.7 secs Computing kpt #: 396 total cpu time spent up to now is 290.4 secs Computing kpt #: 397 total cpu time spent up to now is 291.1 secs Computing kpt #: 398 total cpu time spent up to now is 291.8 secs ethr = 2.50E-08, avg # of iterations = 30.6 total cpu time spent up to now is 291.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0875 -21.0875 -14.5261 -14.5261 -7.9126 -7.9126 -6.4771 -6.4771 -4.1891 -4.1891 -2.1102 -2.1102 0.2140 0.2140 1.0805 1.0805 5.6452 5.6452 5.9734 5.9734 8.5460 8.5460 8.6572 8.6572 8.6862 8.6862 8.7016 8.7016 10.9081 10.9081 12.6715 12.6715 12.9298 12.9298 12.9510 12.9510 13.8176 13.8176 13.8334 13.8334 14.0687 14.0687 k = 0.0000 0.0125-0.0000 ( 5243 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2989 -21.2989 -21.0875 -21.0875 -14.5259 -14.5259 -7.9120 -7.9120 -6.4771 -6.4771 -4.1904 -4.1904 -2.1100 -2.1100 0.2144 0.2144 1.0810 1.0810 5.6460 5.6460 5.9738 5.9738 8.5451 8.5451 8.6546 8.6546 8.6843 8.6843 8.6994 8.6994 10.9101 10.9101 12.6734 12.6734 12.9312 12.9312 12.9525 12.9525 13.8155 13.8155 13.8318 13.8318 14.0688 14.0688 k = 0.0000 0.0250-0.0000 ( 5253 PWs) bands (ev): -45.1375 -45.1375 -21.8789 -21.8789 -21.2991 -21.2991 -21.0875 -21.0875 -14.5253 -14.5253 -7.9102 -7.9102 -6.4773 -6.4773 -4.1943 -4.1943 -2.1095 -2.1095 0.2156 0.2156 1.0825 1.0825 5.6481 5.6481 5.9750 5.9750 8.5424 8.5424 8.6462 8.6462 8.6789 8.6789 8.6935 8.6935 10.9162 10.9162 12.6787 12.6787 12.9347 12.9347 12.9578 12.9578 13.8065 13.8065 13.8297 13.8297 14.0690 14.0690 k = 0.0000 0.0375-0.0000 ( 5251 PWs) bands (ev): -45.1375 -45.1375 -21.8791 -21.8791 -21.2993 -21.2993 -21.0875 -21.0875 -14.5242 -14.5242 -7.9071 -7.9071 -6.4777 -6.4777 -4.2007 -4.2007 -2.1086 -2.1086 0.2174 0.2174 1.0850 1.0850 5.6517 5.6517 5.9770 5.9770 8.5378 8.5378 8.6305 8.6305 8.6706 8.6706 8.6847 8.6847 10.9263 10.9263 12.6877 12.6877 12.9388 12.9388 12.9682 12.9682 13.7882 13.7882 13.8296 13.8296 14.0693 14.0693 k = 0.0000 0.0500-0.0000 ( 5249 PWs) bands (ev): -45.1375 -45.1375 -21.8794 -21.8794 -21.2997 -21.2997 -21.0876 -21.0876 -14.5228 -14.5228 -7.9028 -7.9028 -6.4782 -6.4782 -4.2095 -4.2095 -2.1074 -2.1074 0.2200 0.2200 1.0885 1.0885 5.6566 5.6566 5.9800 5.9800 8.5315 8.5315 8.6065 8.6065 8.6605 8.6605 8.6737 8.6737 10.9403 10.9403 12.7000 12.7000 12.9426 12.9426 12.9845 12.9845 13.7613 13.7613 13.8310 13.8310 14.0698 14.0698 k = 0.0000 0.0625-0.0000 ( 5241 PWs) bands (ev): -45.1375 -45.1375 -21.8798 -21.8798 -21.3002 -21.3002 -21.0877 -21.0877 -14.5210 -14.5210 -7.8973 -7.8973 -6.4789 -6.4789 -4.2206 -4.2206 -2.1059 -2.1059 0.2232 0.2232 1.0928 1.0928 5.6627 5.6627 5.9841 5.9841 8.5233 8.5233 8.5744 8.5744 8.6486 8.6486 8.6608 8.6608 10.9581 10.9581 12.7155 12.7155 12.9464 12.9464 13.0064 13.0064 13.7265 13.7265 13.8334 13.8334 14.0704 14.0704 k = 0.0000 0.0750-0.0000 ( 5245 PWs) bands (ev): -45.1375 -45.1375 -21.8802 -21.8802 -21.3008 -21.3008 -21.0877 -21.0877 -14.5188 -14.5188 -7.8905 -7.8905 -6.4799 -6.4799 -4.2338 -4.2338 -2.1041 -2.1041 0.2269 0.2269 1.0979 1.0979 5.6699 5.6699 5.9895 5.9895 8.5131 8.5131 8.5353 8.5353 8.6347 8.6347 8.6463 8.6463 10.9796 10.9796 12.7340 12.7340 12.9504 12.9504 13.0333 13.0333 13.6842 13.6842 13.8368 13.8368 14.0712 14.0712 k = 0.0000 0.0875-0.0000 ( 5251 PWs) bands (ev): -45.1375 -45.1375 -21.8807 -21.8807 -21.3015 -21.3015 -21.0878 -21.0878 -14.5162 -14.5162 -7.8826 -7.8826 -6.4813 -6.4813 -4.2489 -4.2489 -2.1020 -2.1020 0.2310 0.2310 1.1037 1.1037 5.6780 5.6780 5.9964 5.9964 8.4883 8.4883 8.5029 8.5029 8.6184 8.6184 8.6306 8.6306 11.0046 11.0046 12.7553 12.7553 12.9548 12.9548 13.0649 13.0649 13.6346 13.6346 13.8411 13.8411 14.0721 14.0721 k = 0.0000 0.1000-0.0000 ( 5253 PWs) bands (ev): -45.1374 -45.1374 -21.8813 -21.8813 -21.3023 -21.3023 -21.0879 -21.0879 -14.5132 -14.5132 -7.8735 -7.8735 -6.4831 -6.4831 -4.2657 -4.2657 -2.0996 -2.0996 0.2356 0.2356 1.1101 1.1101 5.6868 5.6868 6.0051 6.0051 8.4377 8.4377 8.4890 8.4890 8.5997 8.5997 8.6140 8.6140 11.0329 11.0329 12.7790 12.7790 12.9597 12.9597 13.1008 13.1008 13.5779 13.5779 13.8464 13.8464 14.0732 14.0732 k = 0.0000 0.1125-0.0000 ( 5265 PWs) bands (ev): -45.1374 -45.1374 -21.8819 -21.8819 -21.3032 -21.3032 -21.0881 -21.0881 -14.5099 -14.5099 -7.8633 -7.8633 -6.4854 -6.4854 -4.2839 -4.2839 -2.0970 -2.0970 0.2403 0.2403 1.1169 1.1169 5.6960 5.6960 6.0160 6.0160 8.3821 8.3821 8.4738 8.4738 8.5788 8.5788 8.5965 8.5965 11.0643 11.0643 12.8049 12.8049 12.9650 12.9650 13.1407 13.1407 13.5145 13.5145 13.8528 13.8528 14.0745 14.0745 k = 0.0000 0.1250-0.0000 ( 5257 PWs) bands (ev): -45.1374 -45.1374 -21.8826 -21.8826 -21.3042 -21.3042 -21.0882 -21.0882 -14.5063 -14.5063 -7.8519 -7.8519 -6.4883 -6.4883 -4.3033 -4.3033 -2.0942 -2.0942 0.2453 0.2453 1.1240 1.1240 5.7052 5.7052 6.0293 6.0293 8.3228 8.3228 8.4570 8.4570 8.5563 8.5563 8.5781 8.5781 11.0985 11.0985 12.8324 12.8324 12.9708 12.9708 13.1842 13.1842 13.4445 13.4445 13.8605 13.8605 14.0760 14.0760 k = 0.0000 0.1375-0.0000 ( 5251 PWs) bands (ev): -45.1373 -45.1373 -21.8834 -21.8834 -21.3053 -21.3053 -21.0883 -21.0883 -14.5024 -14.5024 -7.8394 -7.8394 -6.4919 -6.4919 -4.3236 -4.3236 -2.0912 -2.0912 0.2503 0.2503 1.1313 1.1313 5.7142 5.7142 6.0452 6.0452 8.2608 8.2608 8.4385 8.4385 8.5326 8.5326 8.5587 8.5587 11.1354 11.1354 12.8613 12.8613 12.9771 12.9771 13.2311 13.2311 13.3681 13.3681 13.8697 13.8697 14.0777 14.0777 k = 0.0000 0.1500-0.0000 ( 5241 PWs) bands (ev): -45.1373 -45.1373 -21.8842 -21.8842 -21.3064 -21.3064 -21.0884 -21.0884 -14.4982 -14.4982 -7.8258 -7.8258 -6.4963 -6.4963 -4.3445 -4.3445 -2.0880 -2.0880 0.2554 0.2554 1.1387 1.1387 5.7227 5.7227 6.0639 6.0639 8.1971 8.1971 8.4181 8.4181 8.5083 8.5083 8.5386 8.5386 11.1747 11.1747 12.8911 12.8911 12.9839 12.9839 13.2809 13.2809 13.2858 13.2858 13.8805 13.8805 14.0796 14.0796 k = 0.0000 0.1625-0.0000 ( 5241 PWs) bands (ev): -45.1372 -45.1372 -21.8851 -21.8851 -21.3076 -21.3076 -21.0886 -21.0886 -14.4938 -14.4938 -7.8111 -7.8111 -6.5016 -6.5016 -4.3657 -4.3657 -2.0846 -2.0846 0.2603 0.2603 1.1460 1.1460 5.7303 5.7303 6.0854 6.0854 8.1328 8.1328 8.3959 8.3959 8.4837 8.4837 8.5177 8.5177 11.2162 11.2162 12.9212 12.9212 12.9912 12.9912 13.1974 13.1974 13.3335 13.3335 13.8931 13.8931 14.0819 14.0819 k = 0.0000 0.1750-0.0000 ( 5237 PWs) bands (ev): -45.1372 -45.1372 -21.8861 -21.8861 -21.3088 -21.3088 -21.0887 -21.0887 -14.4891 -14.4891 -7.7954 -7.7954 -6.5079 -6.5079 -4.3870 -4.3870 -2.0811 -2.0811 0.2651 0.2651 1.1531 1.1531 5.7370 5.7370 6.1095 6.1095 8.0690 8.0690 8.3719 8.3719 8.4591 8.4591 8.4962 8.4962 11.2595 11.2595 12.9512 12.9512 12.9992 12.9992 13.1035 13.1035 13.3883 13.3883 13.9077 13.9077 14.0844 14.0844 k = 0.0000 0.1875-0.0000 ( 5229 PWs) bands (ev): -45.1372 -45.1372 -21.8870 -21.8870 -21.3101 -21.3101 -21.0889 -21.0889 -14.4843 -14.4843 -7.7787 -7.7787 -6.5154 -6.5154 -4.4081 -4.4081 -2.0776 -2.0776 0.2697 0.2697 1.1598 1.1598 5.7427 5.7427 6.1358 6.1358 8.0069 8.0069 8.3462 8.3462 8.4350 8.4350 8.4744 8.4744 11.3045 11.3045 12.9797 12.9797 13.0042 13.0042 13.0084 13.0084 13.4449 13.4449 13.9245 13.9245 14.0874 14.0874 k = 0.0000 0.2000-0.0000 ( 5221 PWs) bands (ev): -45.1371 -45.1371 -21.8880 -21.8880 -21.3115 -21.3115 -21.0890 -21.0890 -14.4792 -14.4792 -7.7610 -7.7610 -6.5241 -6.5241 -4.4288 -4.4288 -2.0739 -2.0739 0.2741 0.2741 1.1662 1.1662 5.7473 5.7473 6.1635 6.1635 7.9480 7.9480 8.3189 8.3189 8.4113 8.4113 8.4522 8.4522 11.3509 11.3509 12.8997 12.8997 13.0039 13.0039 13.0218 13.0218 13.5029 13.5029 13.9436 13.9436 14.0908 14.0908 k = 0.0000 0.2125-0.0000 ( 5223 PWs) bands (ev): -45.1371 -45.1371 -21.8891 -21.8891 -21.3128 -21.3128 -21.0892 -21.0892 -14.4740 -14.4740 -7.7423 -7.7423 -6.5341 -6.5341 -4.4488 -4.4488 -2.0702 -2.0702 0.2782 0.2782 1.1720 1.1720 5.7509 5.7509 6.1919 6.1919 7.8936 7.8936 8.2905 8.2905 8.3882 8.3882 8.4299 8.4299 11.3985 11.3985 12.7905 12.7905 13.0179 13.0179 13.0442 13.0442 13.5618 13.5618 13.9652 13.9652 14.0949 14.0949 k = 0.0000 0.2250-0.0000 ( 5231 PWs) bands (ev): -45.1370 -45.1370 -21.8901 -21.8901 -21.3142 -21.3142 -21.0893 -21.0893 -14.4688 -14.4688 -7.7227 -7.7227 -6.5455 -6.5455 -4.4680 -4.4680 -2.0665 -2.0665 0.2819 0.2819 1.1773 1.1773 5.7536 5.7536 6.2197 6.2197 7.8455 7.8455 8.2611 8.2611 8.3656 8.3656 8.4077 8.4077 11.4469 11.4469 12.6767 12.6767 13.0279 13.0279 13.0694 13.0694 13.6211 13.6211 13.9892 13.9892 14.0998 14.0998 k = 0.0000 0.2375-0.0000 ( 5235 PWs) bands (ev): -45.1370 -45.1370 -21.8912 -21.8912 -21.3156 -21.3156 -21.0895 -21.0895 -14.4634 -14.4634 -7.7022 -7.7022 -6.5583 -6.5583 -4.4861 -4.4861 -2.0628 -2.0628 0.2853 0.2853 1.1820 1.1820 5.7555 5.7555 6.2457 6.2457 7.8053 7.8053 8.2311 8.2311 8.3436 8.3436 8.3855 8.3855 11.4959 11.4959 12.5586 12.5586 13.0371 13.0371 13.0938 13.0938 13.6802 13.6802 14.0157 14.0157 14.1058 14.1058 k = 0.0000 0.2500-0.0000 ( 5235 PWs) bands (ev): -45.1369 -45.1369 -21.8923 -21.8923 -21.3170 -21.3170 -21.0896 -21.0896 -14.4580 -14.4580 -7.6808 -7.6808 -6.5727 -6.5727 -4.5030 -4.5030 -2.0591 -2.0591 0.2884 0.2884 1.1860 1.1860 5.7567 5.7567 6.2683 6.2683 7.7750 7.7750 8.2010 8.2010 8.3222 8.3222 8.3637 8.3637 11.5453 11.5453 12.4365 12.4365 13.0461 13.0461 13.1166 13.1166 13.7383 13.7383 14.0445 14.0445 14.1135 14.1135 k = 0.0000 0.2625-0.0000 ( 5230 PWs) bands (ev): -45.1369 -45.1369 -21.8934 -21.8934 -21.3184 -21.3184 -21.0897 -21.0897 -14.4526 -14.4526 -7.6585 -7.6585 -6.5886 -6.5886 -4.5187 -4.5187 -2.0554 -2.0554 0.2911 0.2911 1.1894 1.1894 5.7573 5.7573 6.2860 6.2860 7.7563 7.7563 8.1708 8.1708 8.3014 8.3014 8.3422 8.3422 11.5948 11.5948 12.3107 12.3107 13.0550 13.0550 13.1374 13.1374 13.7944 13.7944 14.0753 14.0753 14.1235 14.1235 k = 0.0000 0.2750-0.0000 ( 5222 PWs) bands (ev): -45.1368 -45.1368 -21.8945 -21.8945 -21.3198 -21.3198 -21.0899 -21.0899 -14.4472 -14.4472 -7.6354 -7.6354 -6.6060 -6.6060 -4.5330 -4.5330 -2.0518 -2.0518 0.2935 0.2935 1.1921 1.1921 5.7574 5.7574 6.2976 6.2976 7.7507 7.7507 8.1410 8.1410 8.2811 8.2811 8.3213 8.3213 11.6441 11.6441 12.1815 12.1815 13.0639 13.0639 13.1561 13.1561 13.8473 13.8473 14.1073 14.1073 14.1376 14.1376 k = 0.0000 0.2875-0.0000 ( 5222 PWs) bands (ev): -45.1368 -45.1368 -21.8956 -21.8956 -21.3211 -21.3211 -21.0900 -21.0900 -14.4419 -14.4419 -7.6116 -7.6116 -6.6250 -6.6250 -4.5458 -4.5458 -2.0482 -2.0482 0.2955 0.2955 1.1943 1.1943 5.7570 5.7570 6.3021 6.3021 7.7593 7.7593 8.1118 8.1118 8.2615 8.2615 8.3009 8.3009 11.6928 11.6928 12.0495 12.0495 13.0727 13.0727 13.1728 13.1728 13.8952 13.8952 14.1380 14.1380 14.1590 14.1590 k = 0.0000 0.3000-0.0000 ( 5218 PWs) bands (ev): -45.1367 -45.1367 -21.8967 -21.8967 -21.3225 -21.3225 -21.0901 -21.0901 -14.4366 -14.4366 -7.5869 -7.5869 -6.6456 -6.6456 -4.5573 -4.5573 -2.0447 -2.0447 0.2972 0.2972 1.1959 1.1959 5.7564 5.7564 6.2993 6.2993 7.7827 7.7827 8.0833 8.0833 8.2425 8.2425 8.2813 8.2813 11.7396 11.7396 11.9158 11.9158 13.0813 13.0813 13.1876 13.1876 13.9363 13.9363 14.1664 14.1664 14.1900 14.1900 k = 0.0000 0.3125-0.0000 ( 5222 PWs) bands (ev): -45.1367 -45.1367 -21.8977 -21.8977 -21.3238 -21.3238 -21.0902 -21.0902 -14.4315 -14.4315 -7.5615 -7.5615 -6.6676 -6.6676 -4.5673 -4.5673 -2.0414 -2.0414 0.2986 0.2986 1.1969 1.1969 5.7554 5.7554 6.2894 6.2894 7.8206 7.8206 8.0558 8.0558 8.2244 8.2244 8.2625 8.2625 11.7568 11.7568 11.8082 11.8082 13.0898 13.0898 13.2004 13.2004 13.9695 13.9695 14.1972 14.1972 14.2264 14.2264 k = 0.0000 0.3250-0.0000 ( 5210 PWs) bands (ev): -45.1366 -45.1366 -21.8988 -21.8988 -21.3250 -21.3250 -21.0903 -21.0903 -14.4265 -14.4265 -7.5355 -7.5355 -6.6910 -6.6910 -4.5760 -4.5760 -2.0382 -2.0382 0.2997 0.2997 1.1975 1.1975 5.7543 5.7543 6.2732 6.2732 7.8722 7.8722 8.0296 8.0296 8.2070 8.2070 8.2446 8.2446 11.6310 11.6310 11.8402 11.8402 13.0980 13.0980 13.2115 13.2115 13.9946 13.9946 14.2328 14.2328 14.2649 14.2649 k = 0.0000 0.3375-0.0000 ( 5210 PWs) bands (ev): -45.1366 -45.1366 -21.8998 -21.8998 -21.3262 -21.3262 -21.0904 -21.0904 -14.4218 -14.4218 -7.5087 -7.5087 -6.7157 -6.7157 -4.5834 -4.5834 -2.0351 -2.0351 0.3005 0.3005 1.1977 1.1977 5.7529 5.7529 6.2519 6.2519 7.9354 7.9354 8.0056 8.0056 8.1907 8.1907 8.2276 8.2276 11.4901 11.4901 11.8840 11.8840 13.1059 13.1059 13.2211 13.2211 14.0130 14.0130 14.2722 14.2722 14.3044 14.3044 k = 0.0000 0.3500-0.0000 ( 5222 PWs) bands (ev): -45.1366 -45.1366 -21.9007 -21.9007 -21.3273 -21.3273 -21.0905 -21.0905 -14.4172 -14.4172 -7.4813 -7.4813 -6.7417 -6.7417 -4.5895 -4.5895 -2.0322 -2.0322 0.3011 0.3011 1.1975 1.1975 5.7515 5.7515 6.2268 6.2268 7.9751 7.9751 8.0177 8.0177 8.1755 8.1755 8.2117 8.2117 11.3467 11.3467 11.9270 11.9270 13.1135 13.1135 13.2292 13.2292 14.0264 14.0264 14.3134 14.3134 14.3444 14.3444 k = 0.0000 0.3625-0.0000 ( 5238 PWs) bands (ev): -45.1365 -45.1365 -21.9016 -21.9016 -21.3284 -21.3284 -21.0906 -21.0906 -14.4129 -14.4129 -7.4532 -7.4532 -6.7688 -6.7688 -4.5946 -4.5946 -2.0295 -2.0295 0.3015 0.3015 1.1970 1.1970 5.7499 5.7499 6.1993 6.1993 7.9557 7.9557 8.0986 8.0986 8.1630 8.1630 8.1970 8.1970 11.2017 11.2017 11.9682 11.9682 13.1207 13.1207 13.2361 13.2361 14.0363 14.0363 14.3545 14.3545 14.3846 14.3846 k = 0.0000 0.3750-0.0000 ( 5234 PWs) bands (ev): -45.1365 -45.1365 -21.9025 -21.9025 -21.3294 -21.3294 -21.0907 -21.0907 -14.4088 -14.4088 -7.4246 -7.4246 -6.7970 -6.7970 -4.5987 -4.5987 -2.0270 -2.0270 0.3017 0.3017 1.1963 1.1963 5.7484 5.7484 6.1706 6.1706 7.9354 7.9354 8.1421 8.1421 8.1809 8.1809 8.2029 8.2029 11.0558 11.0558 12.0073 12.0073 13.1275 13.1275 13.2418 13.2418 14.0438 14.0438 14.3939 14.3939 14.4243 14.4243 k = 0.0000 0.3875-0.0000 ( 5230 PWs) bands (ev): -45.1364 -45.1364 -21.9032 -21.9032 -21.3303 -21.3303 -21.0907 -21.0907 -14.4051 -14.4051 -7.3954 -7.3954 -6.8261 -6.8261 -4.6019 -4.6019 -2.0246 -2.0246 0.3018 0.3018 1.1955 1.1955 5.7468 5.7468 6.1419 6.1419 7.9164 7.9164 8.1323 8.1323 8.1699 8.1699 8.3009 8.3009 10.9093 10.9093 12.0438 12.0438 13.1338 13.1338 13.2466 13.2466 14.0497 14.0497 14.4309 14.4309 14.4629 14.4629 k = 0.0000 0.4000-0.0000 ( 5238 PWs) bands (ev): -45.1364 -45.1364 -21.9040 -21.9040 -21.3312 -21.3312 -21.0908 -21.0908 -14.4017 -14.4017 -7.3657 -7.3657 -6.8559 -6.8559 -4.6043 -4.6043 -2.0225 -2.0225 0.3018 0.3018 1.1946 1.1946 5.7452 5.7452 6.1142 6.1142 7.8991 7.8991 8.1215 8.1215 8.1586 8.1586 8.4087 8.4087 10.7629 10.7629 12.0775 12.0775 13.1396 13.1396 13.2506 13.2506 14.0544 14.0544 14.4651 14.4651 14.4996 14.4996 k = 0.0000 0.4125-0.0000 ( 5230 PWs) bands (ev): -45.1364 -45.1364 -21.9046 -21.9046 -21.3319 -21.3319 -21.0909 -21.0909 -14.3986 -14.3986 -7.3355 -7.3355 -6.8864 -6.8864 -4.6061 -4.6061 -2.0206 -2.0206 0.3017 0.3017 1.1937 1.1937 5.7436 5.7436 6.0882 6.0882 7.8837 7.8837 8.1117 8.1117 8.1485 8.1485 8.5220 8.5220 10.6170 10.6170 12.1081 12.1081 13.1447 13.1447 13.2538 13.2538 14.0581 14.0581 14.4961 14.4961 14.5336 14.5336 k = 0.0000 0.4250-0.0000 ( 5234 PWs) bands (ev): -45.1364 -45.1364 -21.9052 -21.9052 -21.3326 -21.3326 -21.0909 -21.0909 -14.3959 -14.3959 -7.3050 -7.3050 -6.9175 -6.9175 -4.6074 -4.6074 -2.0190 -2.0190 0.3015 0.3015 1.1928 1.1928 5.7421 5.7421 6.0645 6.0645 7.8702 7.8702 8.1030 8.1030 8.1397 8.1397 8.6390 8.6390 10.4727 10.4727 12.1353 12.1353 13.1493 13.1493 13.2564 13.2564 14.0612 14.0612 14.5238 14.5238 14.5642 14.5642 k = 0.0000 0.4375-0.0000 ( 5230 PWs) bands (ev): -45.1363 -45.1363 -21.9057 -21.9057 -21.3331 -21.3331 -21.0909 -21.0909 -14.3936 -14.3936 -7.2740 -7.2740 -6.9490 -6.9490 -4.6084 -4.6084 -2.0175 -2.0175 0.3013 0.3013 1.1919 1.1919 5.7408 5.7408 6.0438 6.0438 7.8586 7.8586 8.0955 8.0955 8.1322 8.1322 8.7582 8.7582 10.3310 10.3310 12.1589 12.1589 13.1532 13.1532 13.2585 13.2585 14.0636 14.0636 14.5478 14.5478 14.5908 14.5908 k = 0.0000 0.4500-0.0000 ( 5238 PWs) bands (ev): -45.1363 -45.1363 -21.9061 -21.9061 -21.3336 -21.3336 -21.0910 -21.0910 -14.3917 -14.3917 -7.2428 -7.2428 -6.9807 -6.9807 -4.6090 -4.6090 -2.0164 -2.0164 0.3011 0.3011 1.1912 1.1912 5.7396 5.7396 6.0263 6.0263 7.8491 7.8491 8.0894 8.0894 8.1261 8.1261 8.8773 8.8773 10.1939 10.1939 12.1785 12.1785 13.1565 13.1565 13.2601 13.2601 14.0655 14.0655 14.5680 14.5680 14.6132 14.6132 k = 0.0000 0.4625-0.0000 ( 5234 PWs) bands (ev): -45.1363 -45.1363 -21.9064 -21.9064 -21.3340 -21.3340 -21.0910 -21.0910 -14.3902 -14.3902 -7.2115 -7.2115 -7.0124 -7.0124 -4.6094 -4.6094 -2.0154 -2.0154 0.3010 0.3010 1.1905 1.1905 5.7386 5.7386 6.0125 6.0125 7.8417 7.8417 8.0846 8.0846 8.1212 8.1212 8.9926 8.9926 10.0647 10.0647 12.1940 12.1940 13.1591 13.1591 13.2613 13.2613 14.0670 14.0670 14.5839 14.5839 14.6309 14.6309 k = 0.0000 0.4750-0.0000 ( 5228 PWs) bands (ev): -45.1363 -45.1363 -21.9066 -21.9066 -21.3342 -21.3342 -21.0910 -21.0910 -14.3891 -14.3891 -7.1805 -7.1805 -7.0438 -7.0438 -4.6096 -4.6096 -2.0148 -2.0148 0.3008 0.3008 1.1901 1.1901 5.7378 5.7378 6.0024 6.0024 7.8363 7.8363 8.0811 8.0811 8.1178 8.1178 9.0971 9.0971 9.9505 9.9505 12.2052 12.2052 13.1609 13.1609 13.2621 13.2621 14.0680 14.0680 14.5955 14.5955 14.6437 14.6437 k = 0.0000 0.4875-0.0000 ( 5240 PWs) bands (ev): -45.1363 -45.1363 -21.9067 -21.9067 -21.3344 -21.3344 -21.0910 -21.0910 -14.3884 -14.3884 -7.1511 -7.1511 -7.0735 -7.0735 -4.6097 -4.6097 -2.0144 -2.0144 0.3007 0.3007 1.1898 1.1898 5.7373 5.7373 5.9963 5.9963 7.8331 7.8331 8.0790 8.0790 8.1157 8.1157 9.1768 9.1768 9.8650 9.8650 12.2119 12.2119 13.1620 13.1620 13.2626 13.2626 14.0686 14.0686 14.6025 14.6025 14.6515 14.6515 k = 0.0000 0.5000-0.0000 ( 5254 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0910 -21.0910 -14.3882 -14.3882 -7.1335 -7.1335 -7.0911 -7.0911 -4.6097 -4.6097 -2.0143 -2.0143 0.3007 0.3007 1.1897 1.1897 5.7372 5.7372 5.9943 5.9943 7.8320 7.8320 8.0783 8.0783 8.1150 8.1150 9.2082 9.2082 9.8316 9.8316 12.2142 12.2142 13.1624 13.1624 13.2627 13.2627 14.0688 14.0688 14.6048 14.6048 14.6541 14.6541 k = 0.0000 0.5000-0.0000 ( 5254 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0910 -21.0910 -14.3882 -14.3882 -7.1335 -7.1335 -7.0911 -7.0911 -4.6097 -4.6097 -2.0143 -2.0143 0.3007 0.3007 1.1897 1.1897 5.7372 5.7372 5.9943 5.9943 7.8320 7.8320 8.0783 8.0783 8.1150 8.1150 9.2082 9.2082 9.8316 9.8316 12.2142 12.2142 13.1624 13.1624 13.2627 13.2627 14.0688 14.0688 14.6048 14.6048 14.6541 14.6541 k = 0.0125 0.5000-0.0000 ( 5246 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3345 -21.3345 -21.0910 -21.0910 -14.3881 -14.3881 -7.1330 -7.1330 -7.0903 -7.0903 -4.6118 -4.6118 -2.0140 -2.0140 0.3013 0.3013 1.1905 1.1905 5.7387 5.7387 5.9943 5.9943 7.8311 7.8311 8.0771 8.0771 8.1108 8.1108 9.2075 9.2075 9.8312 9.8312 12.2120 12.2120 13.1645 13.1645 13.2608 13.2608 14.0688 14.0688 14.6044 14.6044 14.6540 14.6540 k = 0.0250 0.5000-0.0000 ( 5240 PWs) bands (ev): -45.1363 -45.1363 -21.9069 -21.9069 -21.3346 -21.3346 -21.0911 -21.0911 -14.3877 -14.3877 -7.1316 -7.1316 -7.0879 -7.0879 -4.6180 -4.6180 -2.0134 -2.0134 0.3031 0.3031 1.1928 1.1928 5.7434 5.7434 5.9943 5.9943 7.8284 7.8284 8.0733 8.0733 8.0983 8.0983 9.2052 9.2052 9.8299 9.8299 12.2055 12.2055 13.1709 13.1709 13.2548 13.2548 14.0687 14.0687 14.6030 14.6030 14.6538 14.6538 k = 0.0375 0.5000-0.0000 ( 5248 PWs) bands (ev): -45.1363 -45.1363 -21.9071 -21.9071 -21.3349 -21.3349 -21.0911 -21.0911 -14.3870 -14.3870 -7.1292 -7.1292 -7.0838 -7.0838 -4.6284 -4.6284 -2.0123 -2.0123 0.3060 0.3060 1.1966 1.1966 5.7513 5.7513 5.9944 5.9944 7.8238 7.8238 8.0670 8.0670 8.0777 8.0777 9.2015 9.2015 9.8277 9.8277 12.1947 12.1947 13.1813 13.1813 13.2446 13.2446 14.0686 14.0686 14.6010 14.6010 14.6535 14.6535 k = 0.0500 0.5000-0.0000 ( 5248 PWs) bands (ev): -45.1363 -45.1363 -21.9073 -21.9073 -21.3352 -21.3352 -21.0912 -21.0912 -14.3861 -14.3861 -7.1258 -7.1258 -7.0781 -7.0781 -4.6427 -4.6427 -2.0107 -2.0107 0.3101 0.3101 1.2018 1.2018 5.7623 5.7623 5.9945 5.9945 7.8175 7.8175 8.0492 8.0492 8.0582 8.0582 9.1963 9.1963 9.8247 9.8247 12.1797 12.1797 13.1956 13.1956 13.2303 13.2303 14.0685 14.0685 14.5986 14.5986 14.6531 14.6531 k = 0.0625 0.5000-0.0000 ( 5244 PWs) bands (ev): -45.1362 -45.1362 -21.9075 -21.9075 -21.3357 -21.3357 -21.0913 -21.0913 -14.3850 -14.3850 -7.1214 -7.1214 -7.0709 -7.0709 -4.6609 -4.6609 -2.0088 -2.0088 0.3151 0.3151 1.2085 1.2085 5.7766 5.7766 5.9946 5.9946 7.8095 7.8095 8.0132 8.0132 8.0471 8.0471 9.1897 9.1897 9.8207 9.8207 12.1608 12.1608 13.2060 13.2060 13.2192 13.2192 14.0684 14.0684 14.5964 14.5964 14.6527 14.6527 k = 0.0750 0.5000-0.0000 ( 5240 PWs) bands (ev): -45.1362 -45.1362 -21.9079 -21.9079 -21.3363 -21.3363 -21.0914 -21.0914 -14.3836 -14.3836 -7.1161 -7.1161 -7.0622 -7.0622 -4.6828 -4.6828 -2.0065 -2.0065 0.3211 0.3211 1.2164 1.2164 5.7941 5.7941 5.9949 5.9949 7.7999 7.7999 7.9702 7.9702 8.0337 8.0337 9.1818 9.1818 9.8159 9.8159 12.1381 12.1381 13.1843 13.1843 13.2389 13.2389 14.0683 14.0683 14.5947 14.5947 14.6522 14.6522 k = 0.0875 0.5000-0.0000 ( 5248 PWs) bands (ev): -45.1362 -45.1362 -21.9082 -21.9082 -21.3369 -21.3369 -21.0915 -21.0915 -14.3819 -14.3819 -7.1098 -7.1098 -7.0519 -7.0519 -4.7083 -4.7083 -2.0038 -2.0038 0.3279 0.3279 1.2255 1.2255 5.8148 5.8148 5.9955 5.9955 7.7887 7.7887 7.9208 7.9208 8.0181 8.0181 9.1726 9.1726 9.8102 9.8102 12.1119 12.1119 13.1542 13.1542 13.2652 13.2652 14.0683 14.0683 14.5942 14.5942 14.6519 14.6519 k = 0.1000 0.5000-0.0000 ( 5236 PWs) bands (ev): -45.1362 -45.1362 -21.9087 -21.9087 -21.3376 -21.3376 -21.0916 -21.0916 -14.3800 -14.3800 -7.1026 -7.1026 -7.0403 -7.0403 -4.7372 -4.7372 -2.0007 -2.0007 0.3353 0.3353 1.2356 1.2356 5.8387 5.8387 5.9966 5.9966 7.7761 7.7761 7.8654 7.8654 8.0005 8.0005 9.1623 9.1623 9.8036 9.8036 12.0825 12.0825 13.1178 13.1178 13.2954 13.2954 14.0683 14.0683 14.5951 14.5951 14.6516 14.6516 k = 0.1125 0.5000-0.0000 ( 5232 PWs) bands (ev): -45.1361 -45.1361 -21.9092 -21.9092 -21.3384 -21.3384 -21.0918 -21.0918 -14.3780 -14.3780 -7.0944 -7.0944 -7.0272 -7.0272 -4.7692 -4.7692 -1.9973 -1.9973 0.3433 0.3433 1.2466 1.2466 5.8652 5.8652 5.9988 5.9988 7.7621 7.7621 7.8049 7.8049 7.9809 7.9809 9.1508 9.1508 9.7962 9.7962 12.0502 12.0502 13.0750 13.0750 13.3291 13.3291 14.0685 14.0685 14.5979 14.5979 14.6515 14.6515 k = 0.1250 0.5000-0.0000 ( 5244 PWs) bands (ev): -45.1361 -45.1361 -21.9097 -21.9097 -21.3393 -21.3393 -21.0919 -21.0919 -14.3757 -14.3757 -7.0852 -7.0852 -7.0129 -7.0129 -4.8041 -4.8041 -1.9937 -1.9937 0.3518 0.3518 1.2583 1.2583 5.8931 5.8931 6.0034 6.0034 7.7386 7.7386 7.7480 7.7480 7.9595 7.9595 9.1384 9.1384 9.7879 9.7879 12.0152 12.0152 13.0254 13.0254 13.3661 13.3661 14.0688 14.0688 14.6027 14.6027 14.6519 14.6519 k = 0.1375 0.5000-0.0000 ( 5256 PWs) bands (ev): -45.1361 -45.1361 -21.9103 -21.9103 -21.3403 -21.3403 -21.0921 -21.0921 -14.3732 -14.3732 -7.0751 -7.0751 -6.9973 -6.9973 -4.8417 -4.8417 -1.9898 -1.9898 0.3605 0.3605 1.2706 1.2706 5.9195 5.9195 6.0133 6.0133 7.6702 7.6702 7.7311 7.7311 7.9365 7.9365 9.1252 9.1252 9.7788 9.7788 11.9779 11.9779 12.9688 12.9688 13.4062 13.4062 14.0692 14.0692 14.6093 14.6093 14.6530 14.6530 k = 0.1500 0.5000-0.0000 ( 5256 PWs) bands (ev): -45.1360 -45.1360 -21.9109 -21.9109 -21.3413 -21.3413 -21.0923 -21.0923 -14.3705 -14.3705 -7.0640 -7.0640 -6.9806 -6.9806 -4.8817 -4.8817 -1.9856 -1.9856 0.3695 0.3695 1.2833 1.2833 5.9395 5.9395 6.0338 6.0338 7.5978 7.5978 7.7139 7.7139 7.9120 7.9120 9.1112 9.1112 9.7690 9.7690 11.9387 11.9387 12.9053 12.9053 13.4492 13.4492 14.0698 14.0698 14.6172 14.6172 14.6557 14.6557 k = 0.1625 0.5000-0.0000 ( 5250 PWs) bands (ev): -45.1360 -45.1360 -21.9116 -21.9116 -21.3424 -21.3424 -21.0924 -21.0924 -14.3677 -14.3677 -7.0520 -7.0520 -6.9628 -6.9628 -4.9239 -4.9239 -1.9812 -1.9812 0.3786 0.3786 1.2962 1.2962 5.9501 5.9501 6.0676 6.0676 7.5228 7.5228 7.6959 7.6959 7.8863 7.8863 9.0965 9.0965 9.7586 9.7586 11.8978 11.8978 12.8347 12.8347 13.4948 13.4948 14.0705 14.0705 14.6247 14.6247 14.6615 14.6615 k = 0.1750 0.5000-0.0000 ( 5246 PWs) bands (ev): -45.1360 -45.1360 -21.9123 -21.9123 -21.3435 -21.3435 -21.0926 -21.0926 -14.3648 -14.3648 -7.0391 -7.0391 -6.9441 -6.9441 -4.9681 -4.9681 -1.9767 -1.9767 0.3876 0.3876 1.3092 1.3092 5.9540 5.9540 6.1124 6.1124 7.4460 7.4460 7.6772 7.6772 7.8594 7.8594 9.0814 9.0814 9.7476 9.7476 11.8556 11.8556 12.7572 12.7572 13.5428 13.5428 14.0714 14.0714 14.6300 14.6300 14.6724 14.6724 k = 0.1875 0.5000-0.0000 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9130 -21.9130 -21.3447 -21.3447 -21.0928 -21.0928 -14.3617 -14.3617 -7.0252 -7.0252 -6.9245 -6.9245 -5.0139 -5.0139 -1.9720 -1.9720 0.3966 0.3966 1.3221 1.3221 5.9540 5.9540 6.1650 6.1650 7.3678 7.3678 7.6581 7.6581 7.8317 7.8317 9.0660 9.0660 9.7361 9.7361 11.8123 11.8123 12.6730 12.6730 13.5929 13.5929 14.0724 14.0724 14.6328 14.6328 14.6884 14.6884 k = 0.2000 0.5000-0.0000 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9138 -21.9138 -21.3459 -21.3459 -21.0930 -21.0930 -14.3585 -14.3585 -7.0104 -7.0104 -6.9042 -6.9042 -5.0613 -5.0613 -1.9672 -1.9672 0.4054 0.4054 1.3348 1.3348 5.9516 5.9516 6.2241 6.2241 7.2892 7.2892 7.6385 7.6385 7.8032 7.8032 9.0503 9.0503 9.7242 9.7242 11.7684 11.7684 12.5822 12.5822 13.6448 13.6448 14.0735 14.0735 14.6339 14.6339 14.7085 14.7085 k = 0.2125 0.5000-0.0000 ( 5262 PWs) bands (ev): -45.1358 -45.1358 -21.9146 -21.9146 -21.3472 -21.3472 -21.0932 -21.0932 -14.3552 -14.3552 -6.9947 -6.9947 -6.8833 -6.8833 -5.1098 -5.1098 -1.9623 -1.9623 0.4140 0.4140 1.3471 1.3471 5.9475 5.9475 6.2888 6.2888 7.2106 7.2106 7.6186 7.6186 7.7741 7.7741 9.0346 9.0346 9.7121 9.7121 11.7239 11.7239 12.4852 12.4852 13.6982 13.6982 14.0748 14.0748 14.6342 14.6342 14.7316 14.7316 k = 0.2250 0.5000-0.0000 ( 5262 PWs) bands (ev): -45.1358 -45.1358 -21.9154 -21.9154 -21.3484 -21.3484 -21.0934 -21.0934 -14.3518 -14.3518 -6.9781 -6.9781 -6.8618 -6.8618 -5.1594 -5.1594 -1.9574 -1.9574 0.4223 0.4223 1.3590 1.3590 5.9419 5.9419 6.3589 6.3589 7.1327 7.1327 7.5986 7.5986 7.7447 7.7447 9.0189 9.0189 9.6997 9.6997 11.6793 11.6793 12.3824 12.3824 13.7530 13.7530 14.0761 14.0761 14.6340 14.6340 14.7571 14.7571 k = 0.2375 0.5000-0.0000 ( 5256 PWs) bands (ev): -45.1357 -45.1357 -21.9162 -21.9162 -21.3497 -21.3497 -21.0936 -21.0936 -14.3484 -14.3484 -6.9606 -6.9606 -6.8400 -6.8400 -5.2097 -5.2097 -1.9524 -1.9524 0.4303 0.4303 1.3703 1.3703 5.9349 5.9349 6.4340 6.4340 7.0563 7.0563 7.5786 7.5786 7.7152 7.7152 9.0034 9.0034 9.6873 9.6873 11.6349 11.6349 12.2740 12.2740 13.8086 13.8086 14.0776 14.0776 14.6336 14.6336 14.7844 14.7844 k = 0.2500 0.5000-0.0000 ( 5246 PWs) bands (ev): -45.1357 -45.1357 -21.9170 -21.9170 -21.3510 -21.3510 -21.0938 -21.0938 -14.3450 -14.3450 -6.9421 -6.9421 -6.8179 -6.8179 -5.2607 -5.2607 -1.9475 -1.9475 0.4379 0.4379 1.3810 1.3810 5.9263 5.9263 6.5140 6.5140 6.9818 6.9818 7.5587 7.5587 7.6856 7.6856 8.9883 8.9883 9.6748 9.6748 11.5907 11.5907 12.1605 12.1605 13.8649 13.8649 14.0792 14.0792 14.6329 14.6330 14.8132 14.8132 k = 0.2625 0.5000-0.0000 ( 5238 PWs) bands (ev): -45.1356 -45.1356 -21.9179 -21.9179 -21.3523 -21.3523 -21.0940 -21.0940 -14.3416 -14.3416 -6.9228 -6.9228 -6.7957 -6.7957 -5.3120 -5.3120 -1.9426 -1.9426 0.4451 0.4451 1.3910 1.3910 5.9160 5.9160 6.5986 6.5986 6.9100 6.9100 7.5391 7.5391 7.6562 7.6562 8.9738 8.9738 9.6625 9.6625 11.5471 11.5471 12.0421 12.0421 13.9215 13.9215 14.0809 14.0809 14.6322 14.6322 14.8431 14.8431 k = 0.2750 0.5000-0.0000 ( 5246 PWs) bands (ev): -45.1356 -45.1356 -21.9187 -21.9187 -21.3536 -21.3536 -21.0941 -21.0941 -14.3381 -14.3381 -6.9027 -6.9027 -6.7735 -6.7735 -5.3635 -5.3635 -1.9377 -1.9377 0.4519 0.4519 1.4004 1.4004 5.9041 5.9041 6.6876 6.6876 6.8415 6.8415 7.5198 7.5198 7.6273 7.6273 8.9600 8.9600 9.6504 9.6504 11.5044 11.5044 11.9195 11.9195 13.9781 13.9781 14.0826 14.0826 14.6314 14.6314 14.8737 14.8737 k = 0.2875 0.5000-0.0000 ( 5246 PWs) bands (ev): -45.1355 -45.1355 -21.9196 -21.9196 -21.3548 -21.3548 -21.0943 -21.0943 -14.3347 -14.3347 -6.8817 -6.8817 -6.7515 -6.7515 -5.4150 -5.4150 -1.9329 -1.9329 0.4582 0.4582 1.4090 1.4090 5.8903 5.8903 6.7710 6.7710 6.7864 6.7864 7.5009 7.5009 7.5988 7.5988 8.9470 8.9470 9.6386 9.6386 11.4626 11.4626 11.7928 11.7928 14.0344 14.0344 14.0843 14.0843 14.6306 14.6306 14.9047 14.9047 k = 0.3000 0.5000-0.0000 ( 5250 PWs) bands (ev): -45.1355 -45.1355 -21.9204 -21.9204 -21.3560 -21.3560 -21.0945 -21.0945 -14.3314 -14.3314 -6.8599 -6.8599 -6.7297 -6.7297 -5.4663 -5.4663 -1.9282 -1.9282 0.4641 0.4641 1.4169 1.4169 5.8746 5.8746 6.7151 6.7151 6.8788 6.8788 7.4826 7.4826 7.5711 7.5711 8.9352 8.9352 9.6271 9.6271 11.4220 11.4220 11.6625 11.6625 14.0858 14.0858 14.0903 14.0903 14.6297 14.6297 14.9357 14.9357 k = 0.3125 0.5000-0.0000 ( 5252 PWs) bands (ev): -45.1354 -45.1354 -21.9212 -21.9212 -21.3572 -21.3572 -21.0946 -21.0946 -14.3282 -14.3282 -6.8374 -6.8374 -6.7084 -6.7084 -5.5173 -5.5173 -1.9237 -1.9237 0.4695 0.4695 1.4240 1.4240 5.8569 5.8569 6.6592 6.6592 6.9793 6.9793 7.4649 7.4649 7.5442 7.5442 8.9248 8.9248 9.6161 9.6161 11.3828 11.3828 11.5291 11.5291 14.0878 14.0878 14.1445 14.1445 14.6289 14.6289 14.9665 14.9665 k = 0.3250 0.5000-0.0000 ( 5248 PWs) bands (ev): -45.1354 -45.1354 -21.9220 -21.9220 -21.3584 -21.3584 -21.0947 -21.0947 -14.3250 -14.3250 -6.8141 -6.8141 -6.6877 -6.6877 -5.5677 -5.5677 -1.9193 -1.9193 0.4745 0.4745 1.4305 1.4305 5.8373 5.8373 6.6080 6.6080 7.0830 7.0830 7.4479 7.4479 7.5185 7.5185 8.9159 8.9159 9.6056 9.6056 11.3444 11.3444 11.3937 11.3937 14.0896 14.0896 14.1977 14.1977 14.6280 14.6280 14.9968 14.9968 k = 0.3375 0.5000-0.0000 ( 5244 PWs) bands (ev): -45.1354 -45.1354 -21.9228 -21.9228 -21.3595 -21.3595 -21.0949 -21.0949 -14.3220 -14.3220 -6.7902 -6.7902 -6.6677 -6.6677 -5.6175 -5.6175 -1.9151 -1.9151 0.4791 0.4791 1.4364 1.4364 5.8159 5.8159 6.5620 6.5620 7.1891 7.1891 7.4318 7.4318 7.4940 7.4940 8.9091 8.9091 9.5957 9.5957 11.2523 11.2523 11.3112 11.3112 14.0913 14.0913 14.2492 14.2492 14.6272 14.6272 15.0263 15.0263 k = 0.3500 0.5000-0.0000 ( 5240 PWs) bands (ev): -45.1353 -45.1353 -21.9235 -21.9235 -21.3605 -21.3605 -21.0950 -21.0950 -14.3191 -14.3191 -6.7656 -6.7656 -6.6486 -6.6486 -5.6663 -5.6663 -1.9112 -1.9112 0.4832 0.4832 1.4416 1.4416 5.7931 5.7931 6.5211 6.5211 7.2966 7.2966 7.4167 7.4167 7.4712 7.4712 8.9048 8.9048 9.5864 9.5864 11.1122 11.1122 11.2767 11.2767 14.0930 14.0930 14.2986 14.2986 14.6264 14.6264 15.0547 15.0547 k = 0.3625 0.5000-0.0000 ( 5232 PWs) bands (ev): -45.1353 -45.1353 -21.9242 -21.9242 -21.3615 -21.3615 -21.0951 -21.0951 -14.3163 -14.3163 -6.7406 -6.7406 -6.6304 -6.6304 -5.7140 -5.7140 -1.9074 -1.9074 0.4869 0.4869 1.4462 1.4462 5.7693 5.7693 6.4852 6.4852 7.3983 7.3983 7.4054 7.4054 7.4539 7.4539 8.9034 8.9034 9.5778 9.5778 10.9699 10.9699 11.2448 11.2448 14.0947 14.0947 14.3456 14.3456 14.6257 14.6257 15.0817 15.0817 k = 0.3750 0.5000-0.0000 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9248 -21.9248 -21.3624 -21.3624 -21.0952 -21.0952 -14.3137 -14.3137 -6.7152 -6.7152 -6.6133 -6.6133 -5.7605 -5.7605 -1.9039 -1.9039 0.4901 0.4901 1.4503 1.4503 5.7449 5.7449 6.4540 6.4540 7.3889 7.3889 7.4237 7.4237 7.5207 7.5207 8.9057 8.9057 9.5698 9.5698 10.8263 10.8263 11.2153 11.2153 14.0962 14.0962 14.3898 14.3898 14.6250 14.6250 15.1073 15.1073 k = 0.3875 0.5000-0.0000 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9254 -21.9254 -21.3633 -21.3633 -21.0953 -21.0953 -14.3113 -14.3113 -6.6896 -6.6896 -6.5974 -6.5974 -5.8053 -5.8053 -1.9007 -1.9007 0.4930 0.4930 1.4538 1.4538 5.7205 5.7205 6.4274 6.4274 7.3768 7.3768 7.4066 7.4066 7.6271 7.6271 8.9127 8.9127 9.5626 9.5626 10.6819 10.6819 11.1881 11.1881 14.0977 14.0977 14.4310 14.4310 14.6244 14.6244 15.1310 15.1311 k = 0.4000 0.5000-0.0000 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9260 -21.9260 -21.3640 -21.3640 -21.0954 -21.0954 -14.3092 -14.3092 -6.6641 -6.6641 -6.5829 -6.5829 -5.8483 -5.8483 -1.8978 -1.8978 0.4955 0.4955 1.4569 1.4569 5.6968 5.6968 6.4048 6.4048 7.3658 7.3658 7.3898 7.3898 7.7320 7.7320 8.9257 8.9257 9.5561 9.5561 10.5373 10.5373 11.1635 11.1635 14.0990 14.0990 14.4688 14.4688 14.6238 14.6238 15.1529 15.1529 k = 0.4125 0.5000-0.0000 ( 5242 PWs) bands (ev): -45.1352 -45.1352 -21.9265 -21.9265 -21.3647 -21.3647 -21.0955 -21.0955 -14.3072 -14.3072 -6.6389 -6.6389 -6.5698 -6.5698 -5.8891 -5.8891 -1.8952 -1.8952 0.4977 0.4977 1.4595 1.4595 5.6743 5.6743 6.3859 6.3859 7.3560 7.3560 7.3747 7.3747 7.8323 7.8323 8.9460 8.9460 9.5503 9.5503 10.3931 10.3931 11.1414 11.1414 14.1002 14.1002 14.5028 14.5028 14.6234 14.6234 15.1725 15.1725 k = 0.4250 0.5000-0.0000 ( 5238 PWs) bands (ev): -45.1351 -45.1351 -21.9269 -21.9269 -21.3653 -21.3653 -21.0956 -21.0956 -14.3055 -14.3055 -6.6144 -6.6144 -6.5583 -6.5583 -5.9271 -5.9271 -1.8929 -1.8929 0.4995 0.4995 1.4618 1.4618 5.6536 5.6536 6.3703 6.3703 7.3473 7.3473 7.3613 7.3613 7.9254 7.9254 8.9757 8.9757 9.5453 9.5453 10.2499 10.2499 11.1221 11.1221 14.1013 14.1013 14.5328 14.5328 14.6231 14.6231 15.1899 15.1899 k = 0.4375 0.5000-0.0000 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9273 -21.9273 -21.3658 -21.3658 -21.0956 -21.0956 -14.3040 -14.3040 -6.5913 -6.5913 -6.5483 -6.5483 -5.9619 -5.9619 -1.8909 -1.8909 0.5010 0.5010 1.4636 1.4636 5.6352 5.6352 6.3578 6.3578 7.3400 7.3400 7.3499 7.3499 8.0086 8.0086 9.0166 9.0166 9.5409 9.5409 10.1086 10.1086 11.1056 11.1056 14.1022 14.1022 14.5584 14.5584 14.6231 14.6231 15.2049 15.2049 k = 0.4500 0.5000-0.0000 ( 5240 PWs) bands (ev): -45.1351 -45.1351 -21.9276 -21.9276 -21.3663 -21.3663 -21.0957 -21.0957 -14.3028 -14.3028 -6.5702 -6.5702 -6.5400 -6.5400 -5.9925 -5.9925 -1.8893 -1.8893 0.5022 0.5022 1.4651 1.4651 5.6196 5.6196 6.3479 6.3479 7.3338 7.3338 7.3405 7.3405 8.0791 8.0791 9.0704 9.0704 9.5372 9.5372 9.9702 9.9702 11.0920 11.0920 14.1030 14.1030 14.5793 14.5793 14.6234 14.6234 15.2173 15.2173 k = 0.4625 0.5000-0.0000 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9279 -21.9279 -21.3666 -21.3666 -21.0957 -21.0957 -14.3018 -14.3018 -6.5522 -6.5522 -6.5334 -6.5334 -6.0182 -6.0182 -1.8880 -1.8880 0.5031 0.5031 1.4662 1.4662 5.6071 5.6071 6.3404 6.3404 7.3290 7.3290 7.3332 7.3332 8.1350 8.1350 9.1378 9.1378 9.5338 9.5338 9.8365 9.8365 11.0814 11.0814 14.1036 14.1036 14.5950 14.5950 14.6245 14.6245 15.2270 15.2270 k = 0.4750 0.5000-0.0000 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9281 -21.9281 -21.3668 -21.3668 -21.0957 -21.0957 -14.3011 -14.3011 -6.5385 -6.5385 -6.5282 -6.5282 -6.0377 -6.0377 -1.8871 -1.8871 0.5038 0.5038 1.4670 1.4670 5.5979 5.5979 6.3352 6.3352 7.3253 7.3253 7.3282 7.3282 8.1751 8.1751 9.2173 9.2173 9.5298 9.5298 9.7110 9.7110 11.0737 11.0737 14.1041 14.1041 14.6050 14.6050 14.6265 14.6265 15.2341 15.2341 k = 0.4875 0.5000-0.0000 ( 5240 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0957 -21.0957 -14.3007 -14.3007 -6.5307 -6.5307 -6.5242 -6.5242 -6.0500 -6.0500 -1.8866 -1.8866 0.5041 0.5041 1.4675 1.4675 5.5924 5.5924 6.3322 6.3322 7.3229 7.3229 7.3253 7.3253 8.1991 8.1991 9.3022 9.3022 9.5197 9.5197 9.6063 9.6063 11.0691 11.0691 14.1043 14.1043 14.6098 14.6098 14.6290 14.6290 15.2383 15.2383 k = 0.5000 0.5000-0.0000 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0957 -21.0957 -14.3006 -14.3006 -6.5285 -6.5285 -6.5223 -6.5223 -6.0542 -6.0542 -1.8864 -1.8864 0.5043 0.5043 1.4676 1.4676 5.5905 5.5905 6.3311 6.3311 7.3220 7.3220 7.3244 7.3244 8.2071 8.2071 9.3549 9.3549 9.4965 9.4965 9.5669 9.5669 11.0676 11.0676 14.1044 14.1044 14.6111 14.6111 14.6301 14.6301 15.2397 15.2397 k = 0.5000 0.5000-0.0000 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0957 -21.0957 -14.3006 -14.3006 -6.5285 -6.5285 -6.5223 -6.5223 -6.0542 -6.0542 -1.8864 -1.8864 0.5043 0.5043 1.4676 1.4676 5.5905 5.5905 6.3311 6.3311 7.3220 7.3220 7.3244 7.3244 8.2071 8.2071 9.3549 9.3549 9.4965 9.4965 9.5669 9.5669 11.0676 11.0676 14.1044 14.1044 14.6111 14.6111 14.6301 14.6301 15.2397 15.2397 k = 0.4911 0.4911-0.0000 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0957 -21.0957 -14.3007 -14.3007 -6.5312 -6.5312 -6.5238 -6.5238 -6.0499 -6.0499 -1.8866 -1.8866 0.5041 0.5041 1.4675 1.4675 5.5924 5.5924 6.3322 6.3322 7.3229 7.3229 7.3253 7.3253 8.1990 8.1990 9.2993 9.2993 9.5261 9.5261 9.6029 9.6029 11.0691 11.0691 14.1043 14.1043 14.6099 14.6099 14.6289 14.6289 15.2383 15.2383 k = 0.4821 0.4821-0.0000 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9281 -21.9281 -21.3668 -21.3668 -21.0957 -21.0957 -14.3012 -14.3012 -6.5421 -6.5421 -6.5248 -6.5248 -6.0375 -6.0375 -1.8871 -1.8871 0.5037 0.5037 1.4670 1.4670 5.5981 5.5981 6.3353 6.3353 7.3256 7.3256 7.3281 7.3281 8.1756 8.1756 9.2017 9.2017 9.5628 9.5628 9.6934 9.6934 11.0738 11.0738 14.1040 14.1040 14.6061 14.6061 14.6252 14.6252 15.2339 15.2339 k = 0.4732 0.4732-0.0000 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9279 -21.9279 -21.3666 -21.3666 -21.0957 -21.0957 -14.3019 -14.3019 -6.5607 -6.5607 -6.5250 -6.5250 -6.0180 -6.0180 -1.8881 -1.8881 0.5031 0.5031 1.4662 1.4662 5.6076 5.6076 6.3404 6.3404 7.3298 7.3298 7.3327 7.3327 8.1385 8.1385 9.0971 9.0971 9.6081 9.6081 9.7999 9.7999 11.0816 11.0816 14.1036 14.1036 14.5997 14.5997 14.6192 14.6192 15.2267 15.2267 k = 0.4643 0.4643-0.0000 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9276 -21.9276 -21.3662 -21.3662 -21.0957 -21.0957 -14.3029 -14.3029 -6.5849 -6.5849 -6.5250 -6.5250 -5.9928 -5.9928 -1.8894 -1.8894 0.5022 0.5022 1.4651 1.4651 5.6209 5.6209 6.3475 6.3475 7.3357 7.3357 7.3393 7.3393 8.0901 8.0901 8.9913 8.9913 9.6654 9.6654 9.9109 9.9109 11.0924 11.0924 14.1029 14.1029 14.5905 14.5905 14.6112 14.6112 15.2166 15.2166 k = 0.4554 0.4554-0.0000 ( 5230 PWs) bands (ev): -45.1351 -45.1351 -21.9273 -21.9273 -21.3658 -21.3658 -21.0956 -21.0956 -14.3041 -14.3041 -6.6133 -6.6133 -6.5249 -6.5249 -5.9632 -5.9632 -1.8910 -1.8910 0.5010 0.5010 1.4636 1.4636 5.6378 5.6378 6.3565 6.3565 7.3430 7.3430 7.3479 7.3479 8.0330 8.0330 8.8859 8.8859 9.7334 9.7334 10.0239 10.0239 11.1062 11.1062 14.1021 14.1021 14.5785 14.5785 14.6012 14.6012 15.2036 15.2036 k = 0.4464 0.4464-0.0000 ( 5230 PWs) bands (ev): -45.1351 -45.1351 -21.9269 -21.9269 -21.3653 -21.3653 -21.0956 -21.0956 -14.3057 -14.3057 -6.6449 -6.6449 -6.5248 -6.5248 -5.9302 -5.9302 -1.8930 -1.8930 0.4996 0.4996 1.4618 1.4618 5.6584 5.6584 6.3674 6.3674 7.3519 7.3519 7.3584 7.3584 7.9694 7.9694 8.7817 8.7817 9.8100 9.8100 10.1379 10.1379 11.1228 11.1228 14.1010 14.1010 14.5635 14.5635 14.5894 14.5894 15.1877 15.1877 k = 0.4375 0.4375-0.0000 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9264 -21.9264 -21.3646 -21.3646 -21.0955 -21.0955 -14.3075 -14.3075 -6.6786 -6.6786 -6.5246 -6.5246 -5.8947 -5.8947 -1.8954 -1.8954 0.4979 0.4979 1.4597 1.4597 5.6825 5.6825 6.3801 6.3801 7.3624 7.3624 7.3708 7.3708 7.9010 7.9010 8.6789 8.6789 9.8935 9.8935 10.2523 10.2523 11.1420 11.1420 14.0997 14.0997 14.5457 14.5457 14.5759 14.5759 15.1690 15.1690 k = 0.4286 0.4286-0.0000 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9259 -21.9259 -21.3639 -21.3639 -21.0954 -21.0954 -14.3096 -14.3096 -6.7140 -6.7140 -6.5243 -6.5243 -5.8573 -5.8573 -1.8981 -1.8981 0.4959 0.4959 1.4573 1.4573 5.7101 5.7101 6.3943 6.3943 7.3744 7.3744 7.3850 7.3850 7.8296 7.8296 8.5781 8.5781 9.9826 9.9826 10.3669 10.3669 11.1638 11.1638 14.0981 14.0981 14.5252 14.5252 14.5606 14.5606 15.1473 15.1473 k = 0.4196 0.4196-0.0000 ( 5234 PWs) bands (ev): -45.1352 -45.1352 -21.9253 -21.9253 -21.3631 -21.3631 -21.0953 -21.0953 -14.3120 -14.3120 -6.7506 -6.7506 -6.5241 -6.5241 -5.8183 -5.8183 -1.9012 -1.9012 0.4937 0.4937 1.4545 1.4545 5.7410 5.7410 6.4101 6.4101 7.3879 7.3879 7.4009 7.4009 7.7563 7.7563 8.4796 8.4796 10.0760 10.0760 10.4815 10.4815 11.1879 11.1879 14.0962 14.0962 14.5021 14.5021 14.5436 14.5436 15.1228 15.1228 k = 0.4107 0.4107-0.0000 ( 5242 PWs) bands (ev): -45.1353 -45.1353 -21.9246 -21.9246 -21.3622 -21.3622 -21.0952 -21.0952 -14.3147 -14.3147 -6.7880 -6.7880 -6.5237 -6.5237 -5.7781 -5.7781 -1.9045 -1.9045 0.4912 0.4912 1.4514 1.4514 5.7751 5.7751 6.4272 6.4272 7.4029 7.4029 7.4183 7.4183 7.6821 7.6821 8.3835 8.3835 10.1729 10.1729 10.5959 10.5959 11.2141 11.2141 14.0940 14.0940 14.4767 14.4767 14.5249 14.5249 15.0955 15.0955 k = 0.4018 0.4018-0.0000 ( 5245 PWs) bands (ev): -45.1353 -45.1353 -21.9239 -21.9239 -21.3612 -21.3612 -21.0951 -21.0951 -14.3176 -14.3176 -6.8260 -6.8260 -6.5233 -6.5233 -5.7370 -5.7370 -1.9082 -1.9082 0.4885 0.4885 1.4480 1.4480 5.8121 5.8121 6.4453 6.4453 7.4194 7.4194 7.4372 7.4372 7.6081 7.6081 8.2903 8.2903 10.2725 10.2725 10.7099 10.7099 11.2422 11.2422 14.0913 14.0913 14.4492 14.4492 14.5043 14.5043 15.0653 15.0653 k = 0.3929 0.3929-0.0000 ( 5253 PWs) bands (ev): -45.1353 -45.1353 -21.9231 -21.9231 -21.3601 -21.3601 -21.0950 -21.0950 -14.3208 -14.3208 -6.8643 -6.8643 -6.5229 -6.5229 -5.6952 -5.6952 -1.9121 -1.9121 0.4855 0.4855 1.4442 1.4442 5.8520 5.8520 6.4641 6.4641 7.4371 7.4371 7.4562 7.4562 7.5361 7.5361 8.2004 8.2004 10.3741 10.3741 10.8234 10.8234 11.2719 11.2719 14.0881 14.0881 14.4200 14.4200 14.4820 14.4820 15.0322 15.0322 k = 0.3839 0.3839-0.0000 ( 5253 PWs) bands (ev): -45.1354 -45.1354 -21.9222 -21.9222 -21.3590 -21.3590 -21.0949 -21.0949 -14.3243 -14.3243 -6.9028 -6.9028 -6.5225 -6.5225 -5.6526 -5.6526 -1.9163 -1.9163 0.4822 0.4822 1.4400 1.4400 5.8943 5.8943 6.4834 6.4834 7.4467 7.4467 7.4604 7.4604 7.4912 7.4912 8.1140 8.1140 10.4775 10.4775 10.9362 10.9362 11.3030 11.3030 14.0842 14.0842 14.3892 14.3892 14.4579 14.4579 14.9964 14.9964 k = 0.3750 0.3750-0.0000 ( 5251 PWs) bands (ev): -45.1354 -45.1354 -21.9213 -21.9213 -21.3577 -21.3577 -21.0947 -21.0947 -14.3280 -14.3280 -6.9414 -6.9414 -6.5219 -6.5219 -5.6096 -5.6096 -1.9208 -1.9208 0.4787 0.4787 1.4355 1.4355 5.9389 5.9389 6.5028 6.5028 7.3848 7.3848 7.4786 7.4786 7.5084 7.5084 8.0318 8.0318 10.5821 10.5821 11.0483 11.0483 11.3350 11.3350 14.0794 14.0794 14.3572 14.3572 14.4320 14.4320 14.9578 14.9578 k = 0.3661 0.3661-0.0000 ( 5247 PWs) bands (ev): -45.1355 -45.1355 -21.9204 -21.9204 -21.3564 -21.3564 -21.0946 -21.0946 -14.3319 -14.3319 -6.9799 -6.9799 -6.5214 -6.5214 -5.5661 -5.5661 -1.9255 -1.9255 0.4749 0.4749 1.4307 1.4307 5.9853 5.9853 6.5216 6.5216 7.3169 7.3169 7.5008 7.5008 7.5325 7.5325 7.9543 7.9543 10.6876 10.6876 11.1594 11.1594 11.3677 11.3677 14.0734 14.0734 14.3247 14.3247 14.4044 14.4044 14.9164 14.9164 k = 0.3571 0.3571-0.0000 ( 5247 PWs) bands (ev): -45.1355 -45.1355 -21.9193 -21.9193 -21.3550 -21.3550 -21.0944 -21.0944 -14.3362 -14.3362 -7.0183 -7.0183 -6.5207 -6.5207 -5.5223 -5.5223 -1.9305 -1.9305 0.4708 0.4708 1.4254 1.4254 6.0329 6.0329 6.5393 6.5393 7.2512 7.2512 7.5244 7.5244 7.5584 7.5584 7.8821 7.8821 10.7937 10.7937 11.2693 11.2693 11.4008 11.4008 14.0656 14.0656 14.2922 14.2922 14.3752 14.3752 14.8723 14.8723 k = 0.3482 0.3482-0.0000 ( 5243 PWs) bands (ev): -45.1356 -45.1356 -21.9183 -21.9183 -21.3536 -21.3536 -21.0943 -21.0943 -14.3406 -14.3406 -7.0565 -7.0565 -6.5200 -6.5200 -5.4781 -5.4781 -1.9356 -1.9356 0.4664 0.4664 1.4198 1.4198 6.0812 6.0812 6.5552 6.5552 7.1889 7.1889 7.5495 7.5495 7.5855 7.5855 7.8161 7.8161 10.9000 10.9000 11.3774 11.3774 11.4347 11.4347 14.0553 14.0553 14.2607 14.2607 14.3443 14.3443 14.8256 14.8256 k = 0.3393 0.3393-0.0000 ( 5237 PWs) bands (ev): -45.1356 -45.1356 -21.9172 -21.9172 -21.3521 -21.3521 -21.0941 -21.0941 -14.3453 -14.3453 -7.0943 -7.0943 -6.5193 -6.5193 -5.4337 -5.4337 -1.9409 -1.9409 0.4618 0.4618 1.4137 1.4137 6.1292 6.1292 6.5684 6.5684 7.1312 7.1312 7.5758 7.5758 7.6132 7.6132 7.7576 7.7576 11.0063 11.0063 11.4611 11.4611 11.4912 11.4912 14.0416 14.0416 14.2312 14.2312 14.3117 14.3117 14.7763 14.7763 k = 0.3304 0.3304-0.0000 ( 5233 PWs) bands (ev): -45.1357 -45.1357 -21.9160 -21.9160 -21.3505 -21.3505 -21.0939 -21.0939 -14.3502 -14.3502 -7.1318 -7.1318 -6.5185 -6.5185 -5.3891 -5.3891 -1.9464 -1.9464 0.4568 0.4568 1.4073 1.4073 6.1756 6.1756 6.5781 6.5781 7.0792 7.0792 7.6034 7.6034 7.6393 7.6393 7.7092 7.7092 11.1122 11.1122 11.4958 11.4958 11.5948 11.5948 14.0235 14.0235 14.2050 14.2050 14.2777 14.2777 14.7245 14.7245 k = 0.3214 0.3214-0.0000 ( 5231 PWs) bands (ev): -45.1358 -45.1358 -21.9148 -21.9148 -21.3489 -21.3489 -21.0938 -21.0938 -14.3553 -14.3553 -7.1689 -7.1689 -6.5176 -6.5176 -5.3443 -5.3443 -1.9521 -1.9521 0.4516 0.4516 1.4005 1.4005 6.2188 6.2188 6.5836 6.5836 7.0347 7.0347 7.6320 7.6320 7.6459 7.6459 7.6903 7.6903 11.2171 11.2171 11.5271 11.5271 11.6994 11.6994 14.0000 14.0000 14.1830 14.1831 14.2421 14.2421 14.6704 14.6704 k = 0.3125 0.3125-0.0000 ( 5239 PWs) bands (ev): -45.1358 -45.1358 -21.9136 -21.9136 -21.3472 -21.3472 -21.0936 -21.0936 -14.3606 -14.3606 -7.2055 -7.2055 -6.5167 -6.5167 -5.2994 -5.2994 -1.9579 -1.9579 0.4461 0.4461 1.3933 1.3933 6.2565 6.2565 6.5841 6.5841 6.9995 6.9995 7.6202 7.6202 7.6624 7.6624 7.7131 7.7131 11.3200 11.3200 11.5575 11.5575 11.8028 11.8028 13.9712 13.9712 14.1654 14.1654 14.2052 14.2052 14.6140 14.6140 k = 0.3036 0.3036-0.0000 ( 5235 PWs) bands (ev): -45.1359 -45.1359 -21.9123 -21.9123 -21.3454 -21.3454 -21.0934 -21.0934 -14.3661 -14.3661 -7.2415 -7.2415 -6.5157 -6.5157 -5.2544 -5.2544 -1.9638 -1.9638 0.4403 0.4403 1.3857 1.3857 6.2861 6.2861 6.5794 6.5794 6.9761 6.9761 7.5981 7.5981 7.6935 7.6935 7.7436 7.7436 11.4188 11.4188 11.5890 11.5890 11.9046 11.9046 13.9377 13.9377 14.1512 14.1512 14.1675 14.1675 14.5556 14.5556 k = 0.2946 0.2946-0.0000 ( 5243 PWs) bands (ev): -45.1360 -45.1360 -21.9110 -21.9110 -21.3437 -21.3437 -21.0932 -21.0932 -14.3718 -14.3718 -7.2770 -7.2770 -6.5147 -6.5147 -5.2093 -5.2093 -1.9698 -1.9698 0.4343 0.4343 1.3776 1.3776 6.3047 6.3047 6.5695 6.5695 6.9668 6.9668 7.5850 7.5850 7.7256 7.7256 7.7757 7.7757 11.5065 11.5065 11.6277 11.6277 12.0047 12.0047 13.9005 13.9005 14.1254 14.1254 14.1430 14.1430 14.4954 14.4954 k = 0.2857 0.2857-0.0000 ( 5247 PWs) bands (ev): -45.1360 -45.1360 -21.9097 -21.9097 -21.3418 -21.3418 -21.0929 -21.0929 -14.3776 -14.3776 -7.3118 -7.3118 -6.5136 -6.5136 -5.1643 -5.1643 -1.9758 -1.9758 0.4279 0.4279 1.3692 1.3692 6.3107 6.3107 6.5546 6.5546 6.9730 6.9730 7.5815 7.5815 7.7588 7.7588 7.8087 7.8087 11.5675 11.5675 11.6886 11.6886 12.1030 12.1030 13.8608 13.8608 14.0851 14.0851 14.1339 14.1339 14.4337 14.4337 k = 0.2768 0.2768-0.0000 ( 5241 PWs) bands (ev): -45.1361 -45.1361 -21.9083 -21.9083 -21.3400 -21.3400 -21.0927 -21.0927 -14.3836 -14.3836 -7.3460 -7.3460 -6.5124 -6.5124 -5.1193 -5.1193 -1.9820 -1.9820 0.4213 0.4213 1.3603 1.3603 6.3042 6.3042 6.5351 6.5351 6.9949 6.9949 7.5873 7.5873 7.7929 7.7929 7.8423 7.8423 11.5998 11.5998 11.7733 11.7733 12.1993 12.1993 13.8192 13.8192 14.0430 14.0430 14.1266 14.1266 14.3709 14.3709 k = 0.2679 0.2679-0.0000 ( 5237 PWs) bands (ev): -45.1362 -45.1362 -21.9070 -21.9070 -21.3381 -21.3381 -21.0925 -21.0925 -14.3897 -14.3897 -7.3794 -7.3794 -6.5112 -6.5112 -5.0745 -5.0745 -1.9881 -1.9881 0.4144 0.4144 1.3511 1.3511 6.2872 6.2872 6.5112 6.5112 7.0308 7.0308 7.6016 7.6016 7.8279 7.8279 7.8762 7.8762 11.6173 11.6173 11.8670 11.8670 12.2936 12.2936 13.7765 13.7765 13.9998 13.9998 14.1200 14.1200 14.3075 14.3075 k = 0.2589 0.2589-0.0000 ( 5235 PWs) bands (ev): -45.1362 -45.1362 -21.9056 -21.9056 -21.3362 -21.3362 -21.0923 -21.0923 -14.3959 -14.3959 -7.4121 -7.4121 -6.5100 -6.5100 -5.0298 -5.0298 -1.9943 -1.9943 0.4072 0.4072 1.3415 1.3415 6.2622 6.2622 6.4837 6.4837 7.0781 7.0781 7.6233 7.6233 7.8636 7.8636 7.9104 7.9104 11.6268 11.6268 11.9627 11.9627 12.3858 12.3858 13.7331 13.7331 13.9556 13.9556 14.1130 14.1130 14.2447 14.2447 k = 0.2500 0.2500-0.0000 ( 5237 PWs) bands (ev): -45.1363 -45.1363 -21.9042 -21.9042 -21.3343 -21.3343 -21.0921 -21.0921 -14.4022 -14.4022 -7.4440 -7.4440 -6.5087 -6.5087 -4.9853 -4.9853 -2.0005 -2.0005 0.3998 0.3998 1.3315 1.3315 6.2320 6.2320 6.4534 6.4534 7.1343 7.1343 7.6514 7.6514 7.9000 7.9000 7.9446 7.9446 11.6303 11.6303 12.0578 12.0578 12.4758 12.4758 13.6894 13.6894 13.9105 13.9105 14.1026 14.1026 14.1854 14.1854 k = 0.2411 0.2411-0.0000 ( 5247 PWs) bands (ev): -45.1364 -45.1364 -21.9028 -21.9028 -21.3324 -21.3324 -21.0918 -21.0918 -14.4086 -14.4086 -7.4751 -7.4751 -6.5073 -6.5073 -4.9411 -4.9411 -2.0066 -2.0066 0.3921 0.3921 1.3211 1.3211 6.1985 6.1985 6.4212 6.4212 7.1969 7.1969 7.6848 7.6848 7.9371 7.9371 7.9788 7.9788 11.6282 11.6282 12.1513 12.1513 12.5635 12.5635 13.6456 13.6456 13.8647 13.8647 14.0779 14.0779 14.1410 14.1410 k = 0.2321 0.2321-0.0000 ( 5245 PWs) bands (ev): -45.1364 -45.1364 -21.9014 -21.9014 -21.3305 -21.3305 -21.0916 -21.0916 -14.4150 -14.4150 -7.5053 -7.5053 -6.5059 -6.5059 -4.8973 -4.8973 -2.0127 -2.0127 0.3842 0.3842 1.3104 1.3104 6.1632 6.1632 6.3881 6.3881 7.2643 7.2643 7.7226 7.7226 7.9747 7.9747 8.0128 8.0128 11.6211 11.6211 12.2426 12.2426 12.6489 12.6489 13.6020 13.6020 13.8182 13.8182 14.0285 14.0285 14.1222 14.1222 k = 0.2232 0.2232-0.0000 ( 5237 PWs) bands (ev): -45.1365 -45.1365 -21.9000 -21.9000 -21.3286 -21.3286 -21.0914 -21.0914 -14.4214 -14.4214 -7.5347 -7.5347 -6.5045 -6.5045 -4.8539 -4.8539 -2.0188 -2.0188 0.3760 0.3760 1.2994 1.2994 6.1273 6.1273 6.3546 6.3546 7.3351 7.3351 7.7640 7.7640 8.0127 8.0127 8.0466 8.0466 11.6090 11.6090 12.3309 12.3309 12.7318 12.7318 13.5588 13.5588 13.7711 13.7711 13.9694 13.9694 14.1142 14.1142 k = 0.2143 0.2143-0.0000 ( 5241 PWs) bands (ev): -45.1366 -45.1366 -21.8987 -21.8987 -21.3267 -21.3267 -21.0911 -21.0911 -14.4279 -14.4279 -7.5631 -7.5631 -6.5030 -6.5030 -4.8110 -4.8110 -2.0248 -2.0248 0.3677 0.3677 1.2881 1.2881 6.0913 6.0913 6.3216 6.3216 7.4083 7.4083 7.8083 7.8083 8.0511 8.0511 8.0800 8.0800 11.5923 11.5923 12.4159 12.4159 12.8122 12.8122 13.5162 13.5162 13.7237 13.7237 13.9092 13.9092 14.1092 14.1092 k = 0.2054 0.2054-0.0000 ( 5241 PWs) bands (ev): -45.1366 -45.1366 -21.8973 -21.8973 -21.3248 -21.3248 -21.0909 -21.0909 -14.4343 -14.4343 -7.5905 -7.5905 -6.5015 -6.5015 -4.7687 -4.7687 -2.0307 -2.0307 0.3592 0.3592 1.2765 1.2765 6.0559 6.0559 6.2893 6.2893 7.4832 7.4832 7.8549 7.8549 8.0896 8.0896 8.1130 8.1130 11.5711 11.5711 12.4969 12.4969 12.8900 12.8900 13.4743 13.4743 13.6761 13.6761 13.8504 13.8504 14.1053 14.1053 k = 0.1964 0.1964-0.0000 ( 5249 PWs) bands (ev): -45.1367 -45.1367 -21.8960 -21.8960 -21.3229 -21.3229 -21.0907 -21.0907 -14.4407 -14.4407 -7.6170 -7.6170 -6.5000 -6.5000 -4.7270 -4.7270 -2.0365 -2.0365 0.3506 0.3506 1.2648 1.2648 6.0213 6.0213 6.2582 6.2582 7.5591 7.5591 7.9032 7.9032 8.1283 8.1283 8.1454 8.1454 11.5459 11.5459 12.5732 12.5732 12.9651 12.9651 13.4332 13.4332 13.6284 13.6284 13.7941 13.7941 14.1020 14.1020 k = 0.1875 0.1875-0.0000 ( 5247 PWs) bands (ev): -45.1368 -45.1368 -21.8946 -21.8946 -21.3211 -21.3211 -21.0904 -21.0904 -14.4471 -14.4471 -7.6424 -7.6424 -6.4984 -6.4984 -4.6862 -4.6862 -2.0422 -2.0422 0.3418 0.3418 1.2529 1.2529 5.9878 5.9878 6.2285 6.2285 7.6354 7.6354 7.9528 7.9528 8.1669 8.1669 8.1771 8.1771 11.5170 11.5170 12.6439 12.6439 13.0374 13.0374 13.3932 13.3932 13.5808 13.5808 13.7415 13.7415 14.0989 14.0989 k = 0.1786 0.1786-0.0000 ( 5235 PWs) bands (ev): -45.1368 -45.1368 -21.8933 -21.8933 -21.3193 -21.3193 -21.0902 -21.0902 -14.4533 -14.4533 -7.6669 -7.6669 -6.4969 -6.4969 -4.6462 -4.6462 -2.0478 -2.0478 0.3330 0.3330 1.2409 1.2409 5.9557 5.9557 6.2004 6.2004 7.7117 7.7117 8.0032 8.0032 8.2053 8.2053 8.2080 8.2080 11.4849 11.4849 12.7082 12.7082 13.1070 13.1070 13.3544 13.3544 13.5335 13.5335 13.6937 13.6937 14.0961 14.0961 k = 0.1696 0.1696-0.0000 ( 5239 PWs) bands (ev): -45.1369 -45.1369 -21.8921 -21.8921 -21.3175 -21.3175 -21.0900 -21.0900 -14.4594 -14.4594 -7.6902 -7.6902 -6.4953 -6.4953 -4.6071 -4.6071 -2.0532 -2.0532 0.3241 0.3241 1.2289 1.2289 5.9250 5.9250 6.1741 6.1741 7.7876 7.7876 8.0540 8.0540 8.2380 8.2380 8.2435 8.2435 11.4500 11.4500 12.7647 12.7647 13.1737 13.1737 13.3168 13.3168 13.4867 13.4867 13.6521 13.6521 14.0934 14.0934 k = 0.1607 0.1607-0.0000 ( 5247 PWs) bands (ev): -45.1370 -45.1370 -21.8909 -21.8909 -21.3158 -21.3158 -21.0897 -21.0897 -14.4654 -14.4654 -7.7125 -7.7125 -6.4938 -6.4938 -4.5691 -4.5691 -2.0585 -2.0585 0.3153 0.3153 1.2168 1.2168 5.8957 5.8957 6.1496 6.1496 7.8626 7.8626 8.1049 8.1049 8.2671 8.2671 8.2812 8.2812 11.4129 11.4129 12.8121 12.8121 13.2374 13.2374 13.2806 13.2806 13.4404 13.4404 13.6181 13.6181 14.0909 14.0909 k = 0.1518 0.1518-0.0000 ( 5255 PWs) bands (ev): -45.1370 -45.1370 -21.8897 -21.8897 -21.3141 -21.3141 -21.0895 -21.0895 -14.4713 -14.4713 -7.7337 -7.7337 -6.4923 -6.4923 -4.5323 -4.5323 -2.0636 -2.0636 0.3065 0.3065 1.2049 1.2049 5.8681 5.8681 6.1270 6.1270 7.9363 7.9363 8.1555 8.1555 8.2952 8.2952 8.3183 8.3183 11.3741 11.3741 12.8488 12.8488 13.2455 13.2455 13.2984 13.2984 13.3950 13.3950 13.5932 13.5932 14.0885 14.0885 k = 0.1429 0.1429-0.0000 ( 5255 PWs) bands (ev): -45.1371 -45.1371 -21.8885 -21.8885 -21.3125 -21.3125 -21.0893 -21.0893 -14.4769 -14.4769 -7.7538 -7.7538 -6.4908 -6.4908 -4.4967 -4.4967 -2.0685 -2.0685 0.2978 0.2978 1.1931 1.1931 5.8421 5.8421 6.1062 6.1062 8.0085 8.0085 8.2054 8.2054 8.3221 8.3221 8.3547 8.3547 11.3342 11.3342 12.8738 12.8738 13.2123 13.2123 13.3504 13.3504 13.3563 13.3563 13.5786 13.5786 14.0863 14.0863 k = 0.1339 0.1339-0.0000 ( 5251 PWs) bands (ev): -45.1371 -45.1371 -21.8874 -21.8874 -21.3110 -21.3110 -21.0891 -21.0891 -14.4824 -14.4824 -7.7728 -7.7728 -6.4894 -6.4894 -4.4626 -4.4626 -2.0731 -2.0731 0.2892 0.2892 1.1815 1.1815 5.8177 5.8177 6.0873 6.0873 8.0787 8.0787 8.2545 8.2545 8.3478 8.3478 8.3901 8.3901 11.2936 11.2936 12.8869 12.8869 13.1807 13.1807 13.3075 13.3075 13.4107 13.4107 13.5746 13.5746 14.0842 14.0842 k = 0.1250 0.1250-0.0000 ( 5257 PWs) bands (ev): -45.1372 -45.1372 -21.8864 -21.8864 -21.3095 -21.3095 -21.0889 -21.0889 -14.4876 -14.4876 -7.7906 -7.7906 -6.4880 -6.4880 -4.4299 -4.4299 -2.0776 -2.0776 0.2809 0.2809 1.1702 1.1702 5.7950 5.7950 6.0701 6.0701 8.1465 8.1465 8.3022 8.3022 8.3723 8.3723 8.4245 8.4245 11.2530 11.2530 12.8887 12.8887 13.1507 13.1507 13.2657 13.2657 13.4622 13.4622 13.5807 13.5807 14.0822 14.0822 k = 0.1161 0.1161-0.0000 ( 5257 PWs) bands (ev): -45.1372 -45.1372 -21.8854 -21.8854 -21.3081 -21.3081 -21.0887 -21.0887 -14.4925 -14.4925 -7.8072 -7.8072 -6.4866 -6.4866 -4.3989 -4.3989 -2.0818 -2.0818 0.2728 0.2728 1.1592 1.1592 5.7739 5.7739 6.0547 6.0547 8.2117 8.2117 8.3484 8.3484 8.3954 8.3954 8.4575 8.4575 11.2128 11.2128 12.8811 12.8811 13.1224 13.1224 13.2256 13.2256 13.5103 13.5103 13.5951 13.5951 14.0803 14.0803 k = 0.1071 0.1071-0.0000 ( 5257 PWs) bands (ev): -45.1373 -45.1373 -21.8844 -21.8844 -21.3068 -21.3068 -21.0886 -21.0886 -14.4972 -14.4972 -7.8227 -7.8227 -6.4853 -6.4853 -4.3696 -4.3696 -2.0858 -2.0858 0.2650 0.2650 1.1487 1.1487 5.7545 5.7545 6.0410 6.0410 8.2737 8.2737 8.3925 8.3925 8.4173 8.4173 8.4891 8.4891 11.1736 11.1736 12.8664 12.8664 13.0960 13.0960 13.1874 13.1874 13.5552 13.5552 13.6156 13.6156 14.0786 14.0786 k = 0.0982 0.0982-0.0000 ( 5265 PWs) bands (ev): -45.1373 -45.1373 -21.8836 -21.8836 -21.3056 -21.3056 -21.0884 -21.0884 -14.5016 -14.5016 -7.8369 -7.8369 -6.4841 -6.4841 -4.3422 -4.3422 -2.0895 -2.0895 0.2575 0.2575 1.1387 1.1387 5.7367 5.7367 6.0288 6.0288 8.3323 8.3323 8.4323 8.4323 8.4401 8.4401 8.5191 8.5191 11.1357 11.1357 12.8468 12.8468 13.0713 13.0713 13.1512 13.1512 13.5966 13.5966 13.6401 13.6401 14.0770 14.0770 k = 0.0893 0.0893-0.0000 ( 5261 PWs) bands (ev): -45.1374 -45.1374 -21.8828 -21.8828 -21.3045 -21.3045 -21.0882 -21.0882 -14.5057 -14.5057 -7.8500 -7.8500 -6.4830 -6.4830 -4.3167 -4.3167 -2.0930 -2.0930 0.2506 0.2506 1.1293 1.1293 5.7206 5.7206 6.0181 6.0181 8.3871 8.3871 8.4548 8.4548 8.4762 8.4762 8.5473 8.5473 11.0996 11.0996 12.8244 12.8244 13.0486 13.0486 13.1173 13.1173 13.6346 13.6346 13.6666 13.6666 14.0755 14.0755 k = 0.0804 0.0804-0.0000 ( 5257 PWs) bands (ev): -45.1374 -45.1374 -21.8820 -21.8820 -21.3034 -21.3034 -21.0881 -21.0881 -14.5095 -14.5095 -7.8618 -7.8618 -6.4819 -6.4819 -4.2932 -4.2932 -2.0962 -2.0962 0.2440 0.2440 1.1206 1.1206 5.7061 5.7061 6.0088 6.0088 8.4375 8.4375 8.4722 8.4722 8.5132 8.5132 8.5735 8.5735 11.0657 11.0657 12.8009 12.8009 13.0277 13.0277 13.0860 13.0861 13.6689 13.6689 13.6936 13.6936 14.0742 14.0742 k = 0.0714 0.0714-0.0000 ( 5259 PWs) bands (ev): -45.1374 -45.1374 -21.8814 -21.8814 -21.3025 -21.3025 -21.0880 -21.0880 -14.5129 -14.5129 -7.8724 -7.8724 -6.4809 -6.4809 -4.2719 -4.2719 -2.0990 -2.0990 0.2380 0.2380 1.1125 1.1125 5.6932 5.6932 6.0008 6.0008 8.4817 8.4817 8.4893 8.4893 8.5476 8.5476 8.5976 8.5976 11.0344 11.0344 12.7774 12.7774 13.0088 13.0088 13.0575 13.0575 13.6997 13.6997 13.7201 13.7201 14.0731 14.0731 k = 0.0625 0.0625-0.0000 ( 5263 PWs) bands (ev): -45.1375 -45.1375 -21.8808 -21.8808 -21.3016 -21.3016 -21.0879 -21.0879 -14.5159 -14.5159 -7.8818 -7.8818 -6.4800 -6.4800 -4.2529 -4.2529 -2.1016 -2.1016 0.2326 0.2326 1.1053 1.1053 5.6818 5.6818 5.9939 5.9939 8.5005 8.5005 8.5252 8.5252 8.5790 8.5790 8.6194 8.6194 11.0060 11.0060 12.7549 12.7549 12.9918 12.9918 13.0321 13.0321 13.7269 13.7269 13.7449 13.7449 14.0720 14.0720 k = 0.0536 0.0536-0.0000 ( 5255 PWs) bands (ev): -45.1375 -45.1375 -21.8802 -21.8802 -21.3009 -21.3009 -21.0878 -21.0878 -14.5186 -14.5186 -7.8900 -7.8900 -6.4793 -6.4793 -4.2362 -4.2362 -2.1038 -2.1038 0.2278 0.2278 1.0989 1.0989 5.6721 5.6721 5.9882 5.9882 8.5126 8.5126 8.5606 8.5606 8.6072 8.6072 8.6388 8.6388 10.9808 10.9808 12.7342 12.7342 12.9766 12.9766 13.0099 13.0099 13.7506 13.7506 13.7674 13.7674 14.0712 14.0712 k = 0.0446 0.0446-0.0000 ( 5243 PWs) bands (ev): -45.1375 -45.1375 -21.8798 -21.8798 -21.3003 -21.3003 -21.0877 -21.0877 -14.5209 -14.5209 -7.8969 -7.8969 -6.4786 -6.4786 -4.2220 -4.2220 -2.1057 -2.1057 0.2237 0.2237 1.0934 1.0934 5.6638 5.6638 5.9835 5.9835 8.5228 8.5228 8.5906 8.5906 8.6317 8.6317 8.6559 8.6559 10.9590 10.9590 12.7159 12.7159 12.9634 12.9634 12.9912 12.9912 13.7709 13.7709 13.7871 13.7871 14.0704 14.0704 k = 0.0357 0.0357-0.0000 ( 5251 PWs) bands (ev): -45.1375 -45.1375 -21.8794 -21.8794 -21.2998 -21.2998 -21.0876 -21.0876 -14.5227 -14.5227 -7.9026 -7.9026 -6.4781 -6.4781 -4.2102 -4.2102 -2.1073 -2.1073 0.2203 0.2203 1.0888 1.0888 5.6571 5.6571 5.9798 5.9798 8.5312 8.5312 8.6149 8.6149 8.6520 8.6520 8.6706 8.6706 10.9409 10.9409 12.7004 12.7004 12.9520 12.9520 12.9762 12.9762 13.7875 13.7875 13.8035 13.8035 14.0698 14.0698 k = 0.0268 0.0268-0.0000 ( 5247 PWs) bands (ev): -45.1375 -45.1375 -21.8791 -21.8791 -21.2994 -21.2994 -21.0875 -21.0875 -14.5242 -14.5242 -7.9070 -7.9070 -6.4776 -6.4776 -4.2010 -4.2010 -2.1086 -2.1086 0.2175 0.2175 1.0852 1.0852 5.6519 5.6519 5.9770 5.9770 8.5377 8.5377 8.6336 8.6336 8.6676 8.6676 8.6831 8.6831 10.9267 10.9267 12.6879 12.6879 12.9427 12.9427 12.9649 12.9649 13.8006 13.8006 13.8165 13.8165 14.0693 14.0693 k = 0.0179 0.0179-0.0000 ( 5245 PWs) bands (ev): -45.1375 -45.1375 -21.8789 -21.8789 -21.2991 -21.2991 -21.0875 -21.0875 -14.5253 -14.5253 -7.9101 -7.9101 -6.4773 -6.4773 -4.1944 -4.1944 -2.1094 -2.1094 0.2156 0.2156 1.0826 1.0826 5.6482 5.6482 5.9750 5.9750 8.5423 8.5423 8.6467 8.6467 8.6782 8.6782 8.6929 8.6929 10.9164 10.9164 12.6789 12.6789 12.9357 12.9357 12.9570 12.9570 13.8100 13.8100 13.8259 13.8259 14.0690 14.0690 k = 0.0089 0.0089-0.0000 ( 5241 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2989 -21.2989 -21.0875 -21.0875 -14.5259 -14.5259 -7.9120 -7.9120 -6.4771 -6.4771 -4.1904 -4.1904 -2.1100 -2.1100 0.2144 0.2144 1.0810 1.0810 5.6460 5.6460 5.9738 5.9738 8.5451 8.5451 8.6546 8.6546 8.6843 8.6843 8.6994 8.6994 10.9101 10.9101 12.6734 12.6734 12.9313 12.9313 12.9525 12.9525 13.8157 13.8157 13.8315 13.8315 14.0688 14.0688 k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0875 -21.0875 -14.5261 -14.5261 -7.9126 -7.9126 -6.4771 -6.4771 -4.1891 -4.1891 -2.1102 -2.1102 0.2140 0.2140 1.0805 1.0805 5.6452 5.6452 5.9734 5.9734 8.5460 8.5460 8.6572 8.6572 8.6862 8.6862 8.7016 8.7016 10.9081 10.9081 12.6715 12.6715 12.9298 12.9298 12.9510 12.9510 13.8176 13.8176 13.8334 13.8334 14.0687 14.0687 k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0875 -21.0875 -14.5261 -14.5261 -7.9126 -7.9126 -6.4771 -6.4771 -4.1891 -4.1891 -2.1102 -2.1102 0.2140 0.2140 1.0805 1.0805 5.6452 5.6452 5.9734 5.9734 8.5460 8.5460 8.6572 8.6572 8.6862 8.6862 8.7016 8.7016 10.9081 10.9081 12.6715 12.6715 12.9298 12.9298 12.9510 12.9510 13.8176 13.8176 13.8334 13.8334 14.0687 14.0687 k = 0.0000 0.0000 0.0127 ( 5237 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0875 -21.0875 -14.5253 -14.5253 -7.9163 -7.9163 -6.4770 -6.4770 -4.1944 -4.1944 -2.0992 -2.0992 0.2156 0.2156 1.0814 1.0814 5.6432 5.6432 5.9710 5.9710 8.5435 8.5435 8.6572 8.6572 8.6854 8.6854 8.7012 8.7012 10.9122 10.9122 12.6718 12.6718 12.9301 12.9301 12.9514 12.9514 13.8176 13.8176 13.8334 13.8334 14.0595 14.0595 k = 0.0000 0.0000 0.0254 ( 5237 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0875 -21.0875 -14.5228 -14.5228 -7.9272 -7.9272 -6.4769 -6.4769 -4.2100 -4.2100 -2.0667 -2.0667 0.2203 0.2203 1.0841 1.0841 5.6369 5.6369 5.9636 5.9636 8.5360 8.5360 8.6574 8.6574 8.6828 8.6828 8.7003 8.7003 10.9244 10.9244 12.6725 12.6725 12.9308 12.9308 12.9525 12.9525 13.8176 13.8176 13.8334 13.8334 14.0318 14.0318 k = 0.0000 0.0000 0.0381 ( 5253 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0876 -21.0876 -14.5186 -14.5186 -7.9453 -7.9453 -6.4767 -6.4767 -4.2347 -4.2347 -2.0141 -2.0141 0.2282 0.2282 1.0886 1.0886 5.6265 5.6265 5.9513 5.9513 8.5237 8.5237 8.6577 8.6577 8.6779 8.6779 8.6995 8.6995 10.9447 10.9447 12.6737 12.6737 12.9321 12.9321 12.9543 12.9543 13.8176 13.8176 13.8334 13.8334 13.9859 13.9859 k = 0.0000 0.0000 0.0508 ( 5253 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0877 -21.0877 -14.5128 -14.5128 -7.9704 -7.9704 -6.4763 -6.4763 -4.2668 -4.2668 -1.9433 -1.9433 0.2395 0.2395 1.0949 1.0949 5.6121 5.6121 5.9343 5.9343 8.5069 8.5069 8.6581 8.6581 8.6703 8.6703 8.6990 8.6990 10.9726 10.9726 12.6754 12.6754 12.9337 12.9337 12.9569 12.9569 13.8175 13.8175 13.8334 13.8334 13.9225 13.9225 k = 0.0000 0.0000 0.0635 ( 5261 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0878 -21.0878 -14.5054 -14.5054 -8.0024 -8.0024 -6.4759 -6.4759 -4.3046 -4.3046 -1.8565 -1.8565 0.2543 0.2543 1.1030 1.1030 5.5937 5.5937 5.9126 5.9126 8.4859 8.4859 8.6586 8.6586 8.6601 8.6601 8.6990 8.6990 11.0078 11.0078 12.6775 12.6776 12.9357 12.9357 12.9600 12.9600 13.8173 13.8173 13.8333 13.8333 13.8424 13.8424 k = 0.0000 0.0000 0.0761 ( 5261 PWs) bands (ev): -45.1375 -45.1375 -21.8788 -21.8788 -21.2988 -21.2988 -21.0880 -21.0880 -14.4963 -14.4963 -8.0408 -8.0408 -6.4754 -6.4754 -4.3462 -4.3462 -1.7562 -1.7562 0.2730 0.2730 1.1128 1.1128 5.5716 5.5716 5.8864 5.8864 8.4611 8.4611 8.6475 8.6475 8.6593 8.6593 8.6992 8.6992 11.0500 11.0500 12.6801 12.6801 12.9380 12.9380 12.9637 12.9637 13.7458 13.7458 13.8175 13.8175 13.8333 13.8333 k = 0.0000 0.0000 0.0888 ( 5253 PWs) bands (ev): -45.1375 -45.1375 -21.8789 -21.8789 -21.2988 -21.2988 -21.0882 -21.0882 -14.4857 -14.4857 -8.0854 -8.0854 -6.4749 -6.4749 -4.3901 -4.3901 -1.6446 -1.6446 0.2960 0.2960 1.1244 1.1244 5.5458 5.5458 5.8559 5.8559 8.4330 8.4330 8.6328 8.6328 8.6601 8.6601 8.6998 8.6998 11.0985 11.0985 12.6832 12.6832 12.9405 12.9405 12.9679 12.9679 13.6344 13.6344 13.8173 13.8173 13.8331 13.8331 k = 0.0000 0.0000 0.1015 ( 5245 PWs) bands (ev): -45.1375 -45.1375 -21.8789 -21.8789 -21.2987 -21.2987 -21.0884 -21.0884 -14.4735 -14.4735 -8.1359 -8.1359 -6.4742 -6.4742 -4.4348 -4.4348 -1.5242 -1.5242 0.3237 0.3237 1.1377 1.1377 5.5166 5.5166 5.8213 5.8213 8.4020 8.4020 8.6161 8.6161 8.6610 8.6610 8.7005 8.7005 11.1529 11.1529 12.6866 12.6866 12.9428 12.9428 12.9724 12.9724 13.5090 13.5090 13.8171 13.8171 13.8329 13.8329 k = 0.0000 0.0000 0.1142 ( 5237 PWs) bands (ev): -45.1375 -45.1375 -21.8789 -21.8789 -21.2987 -21.2987 -21.0886 -21.0886 -14.4598 -14.4598 -8.1917 -8.1917 -6.4735 -6.4735 -4.4793 -4.4793 -1.3970 -1.3970 0.3569 0.3569 1.1526 1.1526 5.4841 5.4841 5.7827 5.7827 8.3686 8.3686 8.5976 8.5976 8.6619 8.6619 8.7013 8.7013 11.2127 11.2127 12.6905 12.6905 12.9446 12.9446 12.9772 12.9772 13.3711 13.3711 13.8167 13.8167 13.8326 13.8326 k = 0.0000 0.0000 0.1269 ( 5237 PWs) bands (ev): -45.1375 -45.1375 -21.8790 -21.8790 -21.2987 -21.2987 -21.0889 -21.0889 -14.4447 -14.4447 -8.2525 -8.2525 -6.4727 -6.4727 -4.5228 -4.5228 -1.2653 -1.2653 0.3963 0.3963 1.1692 1.1692 5.4486 5.4486 5.7405 5.7405 8.3333 8.3333 8.5774 8.5774 8.6630 8.6630 8.7024 8.7024 11.2773 11.2773 12.6947 12.6947 12.9445 12.9445 12.9822 12.9822 13.2230 13.2230 13.8163 13.8163 13.8322 13.8322 k = 0.0000 0.0000 0.1396 ( 5245 PWs) bands (ev): -45.1375 -45.1375 -21.8790 -21.8790 -21.2986 -21.2986 -21.0892 -21.0892 -14.4281 -14.4281 -8.3177 -8.3177 -6.4719 -6.4719 -4.5647 -4.5647 -1.1313 -1.1313 0.4432 0.4432 1.1874 1.1874 5.4104 5.4104 5.6950 5.6950 8.2964 8.2964 8.5558 8.5558 8.6642 8.6642 8.7035 8.7035 11.3461 11.3461 12.6993 12.6993 12.9348 12.9348 12.9874 12.9874 13.0735 13.0735 13.8158 13.8158 13.8317 13.8317 k = 0.0000 0.0000 0.1523 ( 5246 PWs) bands (ev): -45.1375 -45.1375 -21.8790 -21.8790 -21.2986 -21.2986 -21.0895 -21.0895 -14.4102 -14.4102 -8.3868 -8.3868 -6.4709 -6.4709 -4.6046 -4.6046 -0.9973 -0.9973 0.4989 0.4989 1.2071 1.2071 5.3697 5.3697 5.6463 5.6463 8.2583 8.2583 8.5330 8.5330 8.6655 8.6655 8.7047 8.7047 11.4184 11.4184 12.7042 12.7042 12.8529 12.8529 12.9862 12.9862 12.9925 12.9925 13.8152 13.8152 13.8311 13.8311 k = 0.0000 0.0000 0.1650 ( 5254 PWs) bands (ev): -45.1374 -45.1374 -21.8791 -21.8791 -21.2986 -21.2986 -21.0898 -21.0898 -14.3910 -14.3910 -8.4594 -8.4594 -6.4700 -6.4700 -4.6422 -4.6422 -0.8657 -0.8657 0.5650 0.5650 1.2283 1.2283 5.3267 5.3267 5.5949 5.5949 8.2194 8.2194 8.5091 8.5091 8.6669 8.6669 8.7060 8.7060 11.4932 11.4932 12.6870 12.6870 12.7094 12.7094 12.9746 12.9746 12.9975 12.9975 13.8144 13.8144 13.8303 13.8303 k = 0.0000 0.0000 0.1777 ( 5234 PWs) bands (ev): -45.1374 -45.1374 -21.8791 -21.8791 -21.2985 -21.2985 -21.0901 -21.0901 -14.3706 -14.3706 -8.5347 -8.5347 -6.4690 -6.4690 -4.6774 -4.6774 -0.7390 -0.7390 0.6431 0.6431 1.2509 1.2509 5.2819 5.2819 5.5409 5.5409 8.1799 8.1799 8.4843 8.4843 8.6684 8.6684 8.7075 8.7075 11.5688 11.5688 12.5040 12.5040 12.7148 12.7148 12.9739 12.9739 13.0024 13.0024 13.8134 13.8134 13.8294 13.8294 k = 0.0000 0.0000 0.1904 ( 5226 PWs) bands (ev): -45.1374 -45.1374 -21.8792 -21.8792 -21.2985 -21.2985 -21.0905 -21.0905 -14.3490 -14.3490 -8.6124 -8.6124 -6.4679 -6.4679 -4.7101 -4.7101 -0.6196 -0.6196 0.7350 0.7350 1.2748 1.2748 5.2353 5.2353 5.4848 5.4848 8.1403 8.1403 8.4588 8.4588 8.6699 8.6699 8.7090 8.7090 11.6412 11.6412 12.3172 12.3172 12.7205 12.7205 12.9753 12.9753 13.0071 13.0071 13.8124 13.8124 13.8283 13.8283 k = 0.0000 0.0000 0.2030 ( 5230 PWs) bands (ev): -45.1374 -45.1374 -21.8792 -21.8792 -21.2985 -21.2985 -21.0908 -21.0908 -14.3264 -14.3264 -8.6918 -8.6918 -6.4668 -6.4668 -4.7404 -4.7404 -0.5092 -0.5092 0.8419 0.8419 1.3001 1.3001 5.1875 5.1875 5.4267 5.4267 8.1006 8.1006 8.4328 8.4328 8.6715 8.6715 8.7105 8.7105 11.6972 11.6972 12.1418 12.1418 12.7264 12.7264 12.9771 12.9771 13.0115 13.0115 13.8112 13.8112 13.8271 13.8271 k = 0.0000 0.0000 0.2157 ( 5226 PWs) bands (ev): -45.1374 -45.1374 -21.8792 -21.8792 -21.2984 -21.2984 -21.0912 -21.0912 -14.3028 -14.3028 -8.7725 -8.7725 -6.4657 -6.4657 -4.7683 -4.7683 -0.4092 -0.4092 0.9645 0.9645 1.3264 1.3264 5.1385 5.1385 5.3672 5.3672 8.0612 8.0612 8.4065 8.4065 8.6731 8.6731 8.7121 8.7121 11.6873 11.6873 12.0281 12.0281 12.7325 12.7325 12.9790 12.9790 13.0156 13.0156 13.8099 13.8099 13.8258 13.8258 k = 0.0000 0.0000 0.2284 ( 5222 PWs) bands (ev): -45.1374 -45.1374 -21.8793 -21.8793 -21.2984 -21.2984 -21.0915 -21.0915 -14.2784 -14.2784 -8.8540 -8.8540 -6.4646 -6.4646 -4.7939 -4.7939 -0.3199 -0.3199 1.1027 1.1027 1.3539 1.3539 5.0889 5.0889 5.3064 5.3064 8.0222 8.0222 8.3801 8.3801 8.6748 8.6748 8.7138 8.7138 11.5547 11.5547 12.0337 12.0337 12.7386 12.7386 12.9808 12.9808 13.0194 13.0194 13.8084 13.8084 13.8243 13.8243 k = 0.0000 0.0000 0.2411 ( 5218 PWs) bands (ev): -45.1373 -45.1373 -21.8793 -21.8793 -21.2984 -21.2984 -21.0919 -21.0919 -14.2533 -14.2533 -8.9357 -8.9357 -6.4635 -6.4635 -4.8173 -4.8173 -0.2409 -0.2409 1.2557 1.2557 1.3823 1.3823 5.0388 5.0388 5.2447 5.2447 7.9837 7.9837 8.3538 8.3538 8.6765 8.6765 8.7155 8.7155 11.3577 11.3577 12.1007 12.1007 12.7449 12.7449 12.9825 12.9825 13.0228 13.0228 13.8069 13.8069 13.8227 13.8227 k = 0.0000 0.0000 0.2538 ( 5218 PWs) bands (ev): -45.1373 -45.1373 -21.8794 -21.8794 -21.2983 -21.2983 -21.0923 -21.0923 -14.2276 -14.2276 -9.0171 -9.0171 -6.4623 -6.4623 -4.8387 -4.8387 -0.1713 -0.1713 1.4115 1.4115 1.4221 1.4221 4.9885 4.9885 5.1825 5.1825 7.9459 7.9459 8.3276 8.3276 8.6782 8.6782 8.7172 8.7172 11.1394 11.1394 12.1866 12.1866 12.7512 12.7512 12.9838 12.9838 13.0259 13.0259 13.8052 13.8052 13.8210 13.8210 k = 0.0000 0.0000 0.2665 ( 5218 PWs) bands (ev): -45.1373 -45.1373 -21.8794 -21.8794 -21.2983 -21.2983 -21.0927 -21.0927 -14.2015 -14.2015 -9.0978 -9.0978 -6.4612 -6.4612 -4.8581 -4.8581 -0.1099 -0.1099 1.4415 1.4415 1.6001 1.6001 4.9385 4.9385 5.1201 5.1201 7.9089 7.9089 8.3018 8.3018 8.6800 8.6800 8.7189 8.7189 10.9115 10.9115 12.2800 12.2800 12.7575 12.7575 12.9850 12.9850 13.0285 13.0285 13.8035 13.8035 13.8192 13.8192 k = 0.0000 0.0000 0.2792 ( 5218 PWs) bands (ev): -45.1373 -45.1373 -21.8795 -21.8795 -21.2982 -21.2982 -21.0930 -21.0930 -14.1750 -14.1750 -9.1774 -9.1774 -6.4600 -6.4600 -4.8757 -4.8757 -0.0555 -0.0555 1.4719 1.4719 1.7881 1.7881 4.8890 4.8890 5.0578 5.0578 7.8728 7.8728 8.2765 8.2765 8.6817 8.6817 8.7206 8.7206 10.6779 10.6779 12.3776 12.3776 12.7637 12.7637 12.9859 12.9859 13.0308 13.0308 13.8017 13.8017 13.8174 13.8174 k = 0.0000 0.0000 0.2919 ( 5226 PWs) bands (ev): -45.1373 -45.1373 -21.8795 -21.8795 -21.2982 -21.2982 -21.0934 -21.0934 -14.1484 -14.1484 -9.2553 -9.2553 -6.4589 -6.4589 -4.8917 -4.8917 -0.0070 -0.0070 1.5028 1.5028 1.9846 1.9846 4.8402 4.8402 4.9960 4.9960 7.8375 7.8375 8.2519 8.2519 8.6834 8.6834 8.7223 8.7223 10.4406 10.4406 12.4777 12.4777 12.7699 12.7699 12.9867 12.9867 13.0327 13.0327 13.7999 13.7999 13.8155 13.8155 k = 0.0000 0.0000 0.3046 ( 5226 PWs) bands (ev): -45.1373 -45.1373 -21.8796 -21.8796 -21.2982 -21.2982 -21.0937 -21.0937 -14.1219 -14.1219 -9.3312 -9.3312 -6.4578 -6.4578 -4.9060 -4.9060 0.0366 0.0366 1.5338 1.5338 2.1880 2.1880 4.7926 4.7926 4.9350 4.9350 7.8030 7.8030 8.2281 8.2281 8.6851 8.6851 8.7239 8.7239 10.2009 10.2009 12.5795 12.5795 12.7759 12.7759 12.9873 12.9873 13.0343 13.0343 13.7981 13.7981 13.8136 13.8136 k = 0.0000 0.0000 0.3173 ( 5226 PWs) bands (ev): -45.1372 -45.1372 -21.8796 -21.8796 -21.2981 -21.2981 -21.0941 -21.0941 -14.0956 -14.0956 -9.4046 -9.4046 -6.4568 -6.4568 -4.9190 -4.9190 0.0760 0.0760 1.5648 1.5648 2.3971 2.3971 4.7464 4.7464 4.8753 4.8753 7.7691 7.7691 8.2053 8.2053 8.6867 8.6867 8.7256 8.7256 9.9600 9.9600 12.6821 12.6821 12.7818 12.7818 12.9881 12.9881 13.0355 13.0355 13.7963 13.7963 13.8117 13.8117 k = 0.0000 0.0000 0.3299 ( 5218 PWs) bands (ev): -45.1372 -45.1372 -21.8797 -21.8797 -21.2981 -21.2981 -21.0944 -21.0944 -14.0697 -14.0697 -9.4752 -9.4752 -6.4557 -6.4557 -4.9306 -4.9306 0.1118 0.1118 1.5955 1.5955 2.6108 2.6108 4.7019 4.7019 4.8172 4.8172 7.7358 7.7358 8.1835 8.1835 8.6883 8.6883 8.7271 8.7271 9.7189 9.7189 12.7847 12.7847 12.7875 12.7875 12.9894 12.9894 13.0365 13.0365 13.7945 13.7945 13.8099 13.8099 k = 0.0000 0.0000 0.3426 ( 5226 PWs) bands (ev): -45.1372 -45.1372 -21.8797 -21.8797 -21.2981 -21.2981 -21.0947 -21.0947 -14.0444 -14.0444 -9.5424 -9.5424 -6.4548 -6.4548 -4.9409 -4.9409 0.1444 0.1444 1.6257 1.6257 2.8280 2.8280 4.6595 4.6595 4.7611 4.7611 7.7025 7.7025 8.1629 8.1629 8.6898 8.6898 8.7287 8.7287 9.4789 9.4789 12.7930 12.7930 12.8844 12.8844 12.9936 12.9936 13.0372 13.0372 13.7927 13.7927 13.8080 13.8080 k = 0.0000 0.0000 0.3553 ( 5234 PWs) bands (ev): -45.1372 -45.1372 -21.8797 -21.8797 -21.2980 -21.2980 -21.0950 -21.0950 -14.0200 -14.0200 -9.6060 -9.6060 -6.4539 -6.4539 -4.9501 -4.9501 0.1740 0.1740 1.6552 1.6552 3.0476 3.0476 4.6194 4.6194 4.7073 4.7073 7.6687 7.6687 8.1436 8.1436 8.6913 8.6913 8.7301 8.7301 9.2414 9.2414 12.7981 12.7981 12.9598 12.9598 13.0217 13.0217 13.0377 13.0377 13.7911 13.7911 13.8063 13.8063 k = 0.0000 0.0000 0.3680 ( 5226 PWs) bands (ev): -45.1372 -45.1372 -21.8798 -21.8798 -21.2980 -21.2980 -21.0953 -21.0953 -13.9967 -13.9967 -9.6656 -9.6656 -6.4530 -6.4530 -4.9583 -4.9583 0.2009 0.2009 1.6836 1.6836 3.2685 3.2685 4.5821 4.5821 4.6564 4.6564 7.6334 7.6334 8.1256 8.1256 8.6926 8.6926 8.7314 8.7314 9.0085 9.0085 12.8030 12.8030 12.9759 12.9759 13.0380 13.0380 13.1081 13.1081 13.7895 13.7895 13.8046 13.8046 k = 0.0000 0.0000 0.3807 ( 5226 PWs) bands (ev): -45.1372 -45.1372 -21.8798 -21.8798 -21.2980 -21.2980 -21.0956 -21.0956 -13.9747 -13.9747 -9.7208 -9.7208 -6.4522 -6.4522 -4.9655 -4.9655 0.2252 0.2252 1.7107 1.7107 3.4893 3.4893 4.5478 4.5478 4.6086 4.6086 7.5949 7.5949 8.1091 8.1091 8.6939 8.6939 8.7327 8.7327 8.7828 8.7828 12.8075 12.8075 12.9784 12.9784 13.0381 13.0381 13.2066 13.2066 13.7880 13.7880 13.8031 13.8031 k = 0.0000 0.0000 0.3934 ( 5238 PWs) bands (ev): -45.1372 -45.1372 -21.8798 -21.8798 -21.2979 -21.2979 -21.0958 -21.0958 -13.9543 -13.9543 -9.7713 -9.7713 -6.4515 -6.4515 -4.9717 -4.9717 0.2469 0.2469 1.7361 1.7361 3.7084 3.7084 4.5172 4.5172 4.5644 4.5644 7.5505 7.5505 8.0941 8.0941 8.5686 8.5686 8.6951 8.6951 8.7338 8.7338 12.8116 12.8116 12.9789 12.9789 13.0381 13.0381 13.3047 13.3047 13.7866 13.7866 13.8017 13.8017 k = 0.0000 0.0000 0.4061 ( 5230 PWs) bands (ev): -45.1372 -45.1372 -21.8799 -21.8799 -21.2979 -21.2979 -21.0960 -21.0960 -13.9356 -13.9356 -9.8166 -9.8166 -6.4508 -6.4508 -4.9771 -4.9771 0.2662 0.2662 1.7595 1.7595 3.9230 3.9230 4.4914 4.4914 4.5242 4.5242 7.4960 7.4960 8.0807 8.0807 8.3717 8.3717 8.6961 8.6961 8.7349 8.7349 12.8153 12.8153 12.9788 12.9788 13.0380 13.0380 13.4000 13.4000 13.7854 13.7854 13.8004 13.8004 k = 0.0000 0.0000 0.4188 ( 5226 PWs) bands (ev): -45.1371 -45.1371 -21.8799 -21.8799 -21.2979 -21.2979 -21.0962 -21.0962 -13.9188 -13.9188 -9.8567 -9.8567 -6.4502 -6.4502 -4.9816 -4.9816 0.2829 0.2829 1.7806 1.7806 4.1278 4.1278 4.4735 4.4735 4.4883 4.4883 7.4259 7.4259 8.0690 8.0690 8.2003 8.2003 8.6970 8.6970 8.7358 8.7358 12.8186 12.8186 12.9785 12.9785 13.0378 13.0378 13.4910 13.4910 13.7843 13.7843 13.7992 13.7992 k = 0.0000 0.0000 0.4315 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8799 -21.8799 -21.2979 -21.2979 -21.0963 -21.0963 -13.9043 -13.9043 -9.8910 -9.8910 -6.4497 -6.4497 -4.9854 -4.9854 0.2972 0.2972 1.7991 1.7991 4.3027 4.3027 4.4573 4.4573 4.4803 4.4803 7.3355 7.3355 8.0590 8.0590 8.0623 8.0623 8.6978 8.6978 8.7366 8.7366 12.8214 12.8214 12.9781 12.9781 13.0377 13.0377 13.5757 13.5757 13.7834 13.7834 13.7982 13.7982 k = 0.0000 0.0000 0.4442 ( 5266 PWs) bands (ev): -45.1371 -45.1371 -21.8799 -21.8799 -21.2979 -21.2979 -21.0965 -21.0965 -13.8921 -13.8921 -9.9195 -9.9195 -6.4493 -6.4493 -4.9885 -4.9885 0.3089 0.3089 1.8148 1.8148 4.3761 4.3761 4.4313 4.4313 4.5785 4.5785 7.2262 7.2262 7.9616 7.9616 8.0507 8.0507 8.6985 8.6985 8.7372 8.7372 12.8237 12.8237 12.9777 12.9777 13.0375 13.0375 13.6518 13.6518 13.7826 13.7826 13.7974 13.7974 k = 0.0000 0.0000 0.4568 ( 5266 PWs) bands (ev): -45.1371 -45.1371 -21.8799 -21.8799 -21.2979 -21.2979 -21.0966 -21.0966 -13.8825 -13.8825 -9.9419 -9.9419 -6.4490 -6.4490 -4.9908 -4.9908 0.3181 0.3181 1.8272 1.8272 4.3805 4.3805 4.4108 4.4108 4.7284 4.7284 7.1093 7.1093 7.8942 7.8942 8.0443 8.0443 8.6990 8.6990 8.7377 8.7377 12.8256 12.8256 12.9773 12.9773 13.0373 13.0373 13.7167 13.7167 13.7820 13.7820 13.7967 13.7967 k = 0.0000 0.0000 0.4695 ( 5262 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0966 -21.0966 -13.8755 -13.8755 -9.9580 -9.9580 -6.4488 -6.4488 -4.9925 -4.9925 0.3246 0.3246 1.8363 1.8363 4.3757 4.3757 4.3959 4.3959 4.8594 4.8594 7.0030 7.0030 7.8527 7.8527 8.0397 8.0397 8.6994 8.6994 8.7381 8.7381 12.8269 12.8269 12.9770 12.9770 13.0372 13.0372 13.7667 13.7667 13.7816 13.7816 13.7963 13.7963 k = 0.0000 0.0000 0.4822 ( 5254 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8712 -13.8712 -9.9677 -9.9677 -6.4486 -6.4486 -4.9935 -4.9935 0.3286 0.3286 1.8418 1.8418 4.3716 4.3716 4.3869 4.3869 4.9482 4.9482 6.9277 6.9277 7.8304 7.8304 8.0369 8.0369 8.6996 8.6996 8.7383 8.7383 12.8277 12.8277 12.9768 12.9768 13.0371 13.0371 13.7813 13.7813 13.7960 13.7960 13.7987 13.7987 k = 0.0000 0.0000 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8698 -13.8698 -9.9710 -9.9710 -6.4486 -6.4486 -4.9938 -4.9938 0.3299 0.3299 1.8436 1.8436 4.3701 4.3701 4.3839 4.3839 4.9798 4.9798 6.9003 6.9003 7.8233 7.8233 8.0360 8.0360 8.6997 8.6997 8.7384 8.7384 12.8279 12.8279 12.9768 12.9768 13.0371 13.0371 13.7812 13.7812 13.7959 13.7959 13.8097 13.8097 k = 0.0000 0.0000 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8698 -13.8698 -9.9710 -9.9710 -6.4486 -6.4486 -4.9938 -4.9938 0.3299 0.3299 1.8436 1.8436 4.3701 4.3701 4.3839 4.3839 4.9798 4.9798 6.9003 6.9003 7.8233 7.8233 8.0360 8.0360 8.6997 8.6997 8.7384 8.7384 12.8279 12.8279 12.9768 12.9768 13.0371 13.0371 13.7812 13.7812 13.7959 13.7959 13.8097 13.8097 k = 0.0000 0.0125 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8697 -13.8697 -9.9702 -9.9702 -6.4486 -6.4486 -4.9949 -4.9949 0.3293 0.3293 1.8427 1.8427 4.3715 4.3715 4.3857 4.3857 4.9798 4.9798 6.9007 6.9007 7.8241 7.8241 8.0365 8.0365 8.6971 8.6971 8.7359 8.7359 12.8295 12.8295 12.9773 12.9773 13.0376 13.0376 13.7777 13.7777 13.7933 13.7933 13.8124 13.8124 k = 0.0000 0.0250 0.4949 ( 5242 PWs) bands (ev): -45.1371 -45.1371 -21.8801 -21.8801 -21.2981 -21.2981 -21.0967 -21.0967 -13.8695 -13.8695 -9.9679 -9.9679 -6.4485 -6.4485 -4.9983 -4.9983 0.3273 0.3273 1.8398 1.8398 4.3738 4.3738 4.3929 4.3929 4.9799 4.9799 6.9020 6.9020 7.8264 7.8264 8.0384 8.0384 8.6889 8.6889 8.7293 8.7293 12.8341 12.8341 12.9783 12.9783 13.0395 13.0395 13.7645 13.7645 13.7918 13.7918 13.8166 13.8166 k = 0.0000 0.0375 0.4949 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8803 -21.8803 -21.2983 -21.2983 -21.0968 -21.0968 -13.8690 -13.8690 -9.9641 -9.9641 -6.4484 -6.4484 -5.0038 -5.0038 0.3240 0.3240 1.8351 1.8351 4.3747 4.3747 4.4075 4.4075 4.9801 4.9801 6.9042 6.9042 7.8300 7.8300 8.0417 8.0417 8.6733 8.6733 8.7203 8.7203 12.8417 12.8417 12.9788 12.9788 13.0440 13.0440 13.7423 13.7423 13.7929 13.7929 13.8201 13.8201 k = 0.0000 0.0500 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8806 -21.8806 -21.2987 -21.2987 -21.0968 -21.0968 -13.8684 -13.8684 -9.9587 -9.9587 -6.4484 -6.4484 -5.0113 -5.0113 0.3194 0.3194 1.8286 1.8286 4.3748 4.3748 4.4291 4.4291 4.9805 4.9805 6.9071 6.9071 7.8343 7.8343 8.0469 8.0469 8.6493 8.6493 8.7104 8.7104 12.8521 12.8521 12.9773 12.9773 13.0525 13.0525 13.7123 13.7123 13.7954 13.7954 13.8232 13.8232 k = 0.0000 0.0625 0.4949 ( 5238 PWs) bands (ev): -45.1371 -45.1371 -21.8809 -21.8809 -21.2992 -21.2992 -21.0969 -21.0969 -13.8676 -13.8676 -9.9518 -9.9518 -6.4484 -6.4484 -5.0208 -5.0208 0.3135 0.3135 1.8204 1.8204 4.3743 4.3743 4.4572 4.4572 4.9810 4.9810 6.9106 6.9106 7.8389 7.8389 8.0545 8.0545 8.6170 8.6170 8.6998 8.6998 12.8653 12.8653 12.9731 12.9731 13.0656 13.0656 13.6749 13.6749 13.7991 13.7991 13.8259 13.8259 k = 0.0000 0.0750 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8813 -21.8813 -21.2998 -21.2998 -21.0969 -21.0969 -13.8666 -13.8666 -9.9435 -9.9435 -6.4487 -6.4487 -5.0321 -5.0321 0.3063 0.3063 1.8108 1.8108 4.3735 4.3735 4.4914 4.4914 4.9817 4.9817 6.9147 6.9147 7.8432 7.8432 8.0652 8.0652 8.5775 8.5775 8.6884 8.6884 12.8808 12.8808 12.9660 12.9660 13.0835 13.0835 13.6300 13.6300 13.8038 13.8038 13.8283 13.8283 k = 0.0000 0.0875 0.4949 ( 5250 PWs) bands (ev): -45.1370 -45.1370 -21.8818 -21.8818 -21.3005 -21.3005 -21.0970 -21.0970 -13.8654 -13.8654 -9.9337 -9.9337 -6.4494 -6.4494 -5.0449 -5.0449 0.2978 0.2978 1.7998 1.7998 4.3725 4.3725 4.5312 4.5312 4.9827 4.9827 6.9192 6.9192 7.8464 7.8464 8.0793 8.0793 8.5315 8.5315 8.6759 8.6759 12.8983 12.8983 12.9566 12.9566 13.1057 13.1057 13.5777 13.5777 13.8098 13.8098 13.8306 13.8306 k = 0.0000 0.1000 0.4949 ( 5246 PWs) bands (ev): -45.1370 -45.1370 -21.8824 -21.8824 -21.3013 -21.3013 -21.0971 -21.0971 -13.8641 -13.8641 -9.9224 -9.9224 -6.4505 -6.4505 -5.0591 -5.0591 0.2880 0.2880 1.7876 1.7876 4.3713 4.3713 4.5765 4.5765 4.9840 4.9840 6.9239 6.9239 7.8482 7.8482 8.0973 8.0973 8.4800 8.4800 8.6623 8.6623 12.9169 12.9169 12.9459 12.9459 13.1320 13.1320 13.5183 13.5183 13.8170 13.8170 13.8326 13.8326 k = 0.0000 0.1125 0.4949 ( 5254 PWs) bands (ev): -45.1370 -45.1370 -21.8830 -21.8830 -21.3021 -21.3021 -21.0972 -21.0972 -13.8627 -13.8627 -9.9098 -9.9098 -6.4522 -6.4522 -5.0743 -5.0743 0.2770 0.2770 1.7744 1.7744 4.3699 4.3699 4.6266 4.6266 4.9859 4.9859 6.9288 6.9288 7.8484 7.8484 8.1192 8.1192 8.4238 8.4238 8.6475 8.6475 12.9259 12.9259 12.9444 12.9444 13.1619 13.1619 13.4518 13.4518 13.8257 13.8257 13.8343 13.8343 k = 0.0000 0.1250 0.4949 ( 5250 PWs) bands (ev): -45.1369 -45.1369 -21.8837 -21.8837 -21.3031 -21.3031 -21.0973 -21.0973 -13.8611 -13.8611 -9.8958 -9.8958 -6.4547 -6.4547 -5.0902 -5.0902 0.2647 0.2647 1.7605 1.7605 4.3684 4.3684 4.6811 4.6811 4.9886 4.9886 6.9338 6.9338 7.8470 7.8470 8.1450 8.1450 8.3638 8.3638 8.6316 8.6316 12.9132 12.9132 12.9641 12.9641 13.1951 13.1951 13.3786 13.3786 13.8352 13.8352 13.8365 13.8365 k = 0.0000 0.1375 0.4949 ( 5246 PWs) bands (ev): -45.1369 -45.1369 -21.8844 -21.8844 -21.3041 -21.3041 -21.0974 -21.0974 -13.8594 -13.8594 -9.8805 -9.8805 -6.4582 -6.4582 -5.1067 -5.1067 0.2512 0.2512 1.7460 1.7460 4.3667 4.3667 4.7389 4.7389 4.9927 4.9927 6.9386 6.9386 7.8440 7.8440 8.1742 8.1742 8.3008 8.3008 8.6148 8.6148 12.8967 12.8967 12.9868 12.9868 13.2310 13.2310 13.2992 13.2992 13.8368 13.8368 13.8481 13.8481 k = 0.0000 0.1500 0.4949 ( 5254 PWs) bands (ev): -45.1369 -45.1369 -21.8852 -21.8852 -21.3052 -21.3052 -21.0975 -21.0975 -13.8575 -13.8575 -9.8640 -9.8640 -6.4629 -6.4629 -5.1232 -5.1232 0.2365 0.2365 1.7311 1.7311 4.3649 4.3649 4.7986 4.7986 4.9993 4.9993 6.9432 6.9432 7.8398 7.8398 8.2061 8.2061 8.2362 8.2362 8.5972 8.5972 12.8786 12.8786 13.0103 13.0103 13.2112 13.2112 13.2721 13.2721 13.8376 13.8376 13.8621 13.8621 k = 0.0000 0.1625 0.4949 ( 5250 PWs) bands (ev): -45.1368 -45.1368 -21.8860 -21.8860 -21.3063 -21.3063 -21.0976 -21.0976 -13.8556 -13.8556 -9.8462 -9.8462 -6.4689 -6.4689 -5.1397 -5.1397 0.2207 0.2207 1.7160 1.7160 4.3630 4.3630 4.8565 4.8565 5.0115 5.0115 6.9475 6.9475 7.8345 7.8345 8.1690 8.1690 8.2420 8.2420 8.5788 8.5788 12.8592 12.8592 13.0337 13.0337 13.1195 13.1195 13.3134 13.3134 13.8380 13.8380 13.8782 13.8782 k = 0.0000 0.1750 0.4949 ( 5248 PWs) bands (ev): -45.1368 -45.1368 -21.8869 -21.8869 -21.3076 -21.3076 -21.0977 -21.0977 -13.8535 -13.8535 -9.8273 -9.8273 -6.4764 -6.4764 -5.1556 -5.1556 0.2038 0.2038 1.7008 1.7008 4.3610 4.3610 4.9056 4.9056 5.0359 5.0359 6.9515 6.9515 7.8286 7.8286 8.1028 8.1028 8.2790 8.2790 8.5600 8.5600 12.8387 12.8387 13.0210 13.0210 13.0572 13.0572 13.3577 13.3577 13.8381 13.8381 13.8966 13.8966 k = 0.0000 0.1875 0.4949 ( 5248 PWs) bands (ev): -45.1367 -45.1367 -21.8879 -21.8879 -21.3088 -21.3088 -21.0978 -21.0978 -13.8514 -13.8514 -9.8074 -9.8074 -6.4856 -6.4856 -5.1708 -5.1708 0.1860 0.1860 1.6859 1.6859 4.3589 4.3589 4.9374 4.9374 5.0803 5.0803 6.9550 6.9550 7.8220 7.8220 8.0373 8.0373 8.3178 8.3178 8.5407 8.5407 12.8170 12.8170 12.9177 12.9177 13.0794 13.0794 13.4042 13.4042 13.8378 13.8378 13.9173 13.9173 k = 0.0000 0.2000 0.4949 ( 5246 PWs) bands (ev): -45.1367 -45.1367 -21.8888 -21.8888 -21.3101 -21.3101 -21.0979 -21.0979 -13.8492 -13.8492 -9.7865 -9.7865 -6.4966 -6.4966 -5.1849 -5.1849 0.1673 0.1673 1.6712 1.6712 4.3567 4.3567 4.9541 4.9541 5.1418 5.1418 6.9580 6.9580 7.8152 7.8152 7.9737 7.9737 8.3579 8.3579 8.5212 8.5212 12.7911 12.7911 12.8123 12.8123 13.1006 13.1006 13.4528 13.4528 13.8371 13.8371 13.9403 13.9403 k = 0.0000 0.2125 0.4949 ( 5242 PWs) bands (ev): -45.1366 -45.1366 -21.8898 -21.8898 -21.3114 -21.3114 -21.0980 -21.0980 -13.8469 -13.8469 -9.7646 -9.7646 -6.5096 -6.5096 -5.1977 -5.1977 0.1478 0.1478 1.6569 1.6569 4.3544 4.3544 4.9633 4.9633 5.2120 5.2120 6.9605 6.9605 7.8083 7.8083 7.9132 7.9132 8.3988 8.3988 8.5016 8.5016 12.6925 12.6925 12.7741 12.7741 13.1205 13.1205 13.5030 13.5030 13.8362 13.8362 13.9658 13.9658 k = 0.0000 0.2250 0.4949 ( 5246 PWs) bands (ev): -45.1366 -45.1366 -21.8909 -21.8909 -21.3128 -21.3128 -21.0981 -21.0981 -13.8446 -13.8446 -9.7419 -9.7419 -6.5245 -6.5245 -5.2090 -5.2090 0.1277 0.1277 1.6431 1.6431 4.3521 4.3521 4.9692 4.9692 5.2856 5.2856 6.9624 6.9624 7.8014 7.8014 7.8571 7.8571 8.4399 8.4399 8.4822 8.4822 12.5740 12.5740 12.7506 12.7506 13.1389 13.1389 13.5547 13.5547 13.8351 13.8351 13.9935 13.9935 k = 0.0000 0.2375 0.4949 ( 5246 PWs) bands (ev): -45.1365 -45.1365 -21.8919 -21.8919 -21.3141 -21.3141 -21.0982 -21.0982 -13.8423 -13.8423 -9.7186 -9.7186 -6.5415 -6.5415 -5.2187 -5.2187 0.1071 0.1071 1.6299 1.6299 4.3497 4.3497 4.9736 4.9736 5.3599 5.3599 6.9638 6.9638 7.7941 7.7941 7.8072 7.8072 8.4613 8.4613 8.4827 8.4827 12.4506 12.4506 12.7271 12.7271 13.1556 13.1556 13.6075 13.6075 13.8338 13.8338 14.0234 14.0234 k = 0.0000 0.2500 0.4949 ( 5254 PWs) bands (ev): -45.1365 -45.1365 -21.8929 -21.8929 -21.3155 -21.3155 -21.0983 -21.0983 -13.8399 -13.8399 -9.6946 -9.6946 -6.5603 -6.5603 -5.2267 -5.2267 0.0861 0.0861 1.6174 1.6174 4.3473 4.3473 4.9772 4.9772 5.4329 5.4329 6.9646 6.9646 7.7629 7.7629 7.7888 7.7888 8.4426 8.4426 8.5232 8.5232 12.3228 12.3228 12.7036 12.7036 13.1706 13.1706 13.6610 13.6610 13.8325 13.8325 14.0552 14.0552 k = 0.0000 0.2625 0.4949 ( 5248 PWs) bands (ev): -45.1365 -45.1365 -21.8940 -21.8940 -21.3169 -21.3169 -21.0984 -21.0984 -13.8375 -13.8375 -9.6701 -9.6701 -6.5811 -6.5811 -5.2329 -5.2329 0.0648 0.0648 1.6057 1.6057 4.3449 4.3449 4.9803 4.9803 5.5029 5.5029 6.9648 6.9648 7.7285 7.7285 7.7825 7.7825 8.4237 8.4237 8.5636 8.5636 12.1912 12.1912 12.6802 12.6802 13.1838 13.1838 13.7146 13.7146 13.8316 13.8316 14.0887 14.0887 k = 0.0000 0.2750 0.4949 ( 5258 PWs) bands (ev): -45.1364 -45.1364 -21.8951 -21.8951 -21.3182 -21.3182 -21.0985 -21.0985 -13.8352 -13.8352 -9.6453 -9.6453 -6.6035 -6.6035 -5.2374 -5.2374 0.0435 0.0435 1.5947 1.5947 4.3425 4.3425 4.9832 4.9832 5.5684 5.5684 6.9646 6.9646 7.7043 7.7043 7.7769 7.7769 8.4052 8.4052 8.6033 8.6033 12.0558 12.0558 12.6569 12.6569 13.1954 13.1954 13.7664 13.7664 13.8328 13.8328 14.1235 14.1235 k = 0.0000 0.2875 0.4949 ( 5268 PWs) bands (ev): -45.1364 -45.1364 -21.8961 -21.8961 -21.3195 -21.3195 -21.0986 -21.0986 -13.8329 -13.8329 -9.6202 -9.6202 -6.6275 -6.6275 -5.2402 -5.2402 0.0222 0.0222 1.5844 1.5844 4.3401 4.3401 4.9859 4.9859 5.6278 5.6278 6.9639 6.9639 7.6920 7.6920 7.7717 7.7717 8.3872 8.3872 8.6418 8.6418 11.9170 11.9170 12.6340 12.6340 13.2054 13.2054 13.8052 13.8052 13.8469 13.8469 14.1593 14.1593 k = 0.0000 0.3000 0.4949 ( 5268 PWs) bands (ev): -45.1363 -45.1363 -21.8971 -21.8971 -21.3208 -21.3208 -21.0987 -21.0987 -13.8306 -13.8306 -9.5951 -9.5951 -6.6527 -6.6527 -5.2414 -5.2414 0.0011 0.0011 1.5749 1.5749 4.3377 4.3377 4.9885 4.9885 5.6799 5.6799 6.9627 6.9627 7.6930 7.6930 7.7671 7.7671 8.3699 8.3699 8.6790 8.6790 11.7752 11.7752 12.6116 12.6116 13.2139 13.2139 13.8144 13.8144 13.8902 13.8902 14.1956 14.1956 k = 0.0000 0.3125 0.4949 ( 5260 PWs) bands (ev): -45.1363 -45.1363 -21.8982 -21.8982 -21.3221 -21.3221 -21.0988 -21.0988 -13.8283 -13.8283 -9.5700 -9.5700 -6.6789 -6.6789 -5.2412 -5.2412 -0.0196 -0.0196 1.5662 1.5662 4.3354 4.3354 4.9910 4.9910 5.7236 5.7236 6.9611 6.9611 7.7084 7.7084 7.7630 7.7630 8.3532 8.3532 8.7146 8.7146 11.6305 11.6305 12.5897 12.5897 13.2211 13.2211 13.8145 13.8145 13.9421 13.9421 14.2321 14.2321 k = 0.0000 0.3250 0.4949 ( 5262 PWs) bands (ev): -45.1362 -45.1362 -21.8991 -21.8991 -21.3233 -21.3233 -21.0988 -21.0988 -13.8262 -13.8262 -9.5452 -9.5452 -6.7057 -6.7057 -5.2397 -5.2397 -0.0398 -0.0398 1.5583 1.5583 4.3332 4.3332 4.9934 4.9934 5.7583 5.7583 6.9592 6.9592 7.7388 7.7388 7.7596 7.7596 8.3373 8.3373 8.7484 8.7484 11.4833 11.4833 12.5686 12.5686 13.2272 13.2272 13.8130 13.8130 13.9947 13.9947 14.2685 14.2685 k = 0.0000 0.3375 0.4949 ( 5270 PWs) bands (ev): -45.1362 -45.1362 -21.9001 -21.9001 -21.3245 -21.3245 -21.0989 -21.0989 -13.8241 -13.8241 -9.5208 -9.5208 -6.7329 -6.7329 -5.2372 -5.2372 -0.0593 -0.0593 1.5511 1.5511 4.3310 4.3310 4.9957 4.9957 5.7841 5.7841 6.9571 6.9571 7.7559 7.7559 7.7851 7.7851 8.3223 8.3223 8.7803 8.7803 11.3338 11.3338 12.5484 12.5484 13.2322 13.2322 13.8109 13.8109 14.0465 14.0465 14.3042 14.3042 k = 0.0000 0.3500 0.4949 ( 5270 PWs) bands (ev): -45.1361 -45.1361 -21.9010 -21.9010 -21.3256 -21.3256 -21.0989 -21.0989 -13.8221 -13.8221 -9.4970 -9.4970 -6.7600 -6.7600 -5.2338 -5.2338 -0.0779 -0.0779 1.5446 1.5446 4.3290 4.3290 4.9979 4.9979 5.8013 5.8013 6.9547 6.9547 7.7534 7.7534 7.8456 7.8456 8.3082 8.3082 8.8102 8.8102 11.1823 11.1823 12.5291 12.5291 13.2363 13.2363 13.8086 13.8086 14.0968 14.0968 14.3389 14.3389 k = 0.0000 0.3625 0.4949 ( 5264 PWs) bands (ev): -45.1361 -45.1361 -21.9019 -21.9019 -21.3266 -21.3266 -21.0990 -21.0990 -13.8202 -13.8202 -9.4741 -9.4741 -6.7868 -6.7868 -5.2298 -5.2298 -0.0956 -0.0956 1.5388 1.5388 4.3270 4.3270 5.0000 5.0000 5.8110 5.8110 6.9522 6.9522 7.7512 7.7512 7.9201 7.9201 8.2950 8.2950 8.8380 8.8380 11.0291 11.0291 12.5109 12.5109 13.2396 13.2396 13.8064 13.8064 14.1453 14.1453 14.3723 14.3723 k = 0.0000 0.3750 0.4949 ( 5256 PWs) bands (ev): -45.1361 -45.1361 -21.9027 -21.9027 -21.3276 -21.3276 -21.0990 -21.0990 -13.8185 -13.8185 -9.4521 -9.4521 -6.8127 -6.8127 -5.2253 -5.2253 -0.1123 -0.1123 1.5336 1.5336 4.3252 4.3252 5.0019 5.0019 5.8143 5.8143 6.9497 6.9497 7.7494 7.7494 8.0073 8.0073 8.2828 8.2828 8.8635 8.8635 10.8745 10.8745 12.4940 12.4940 13.2422 13.2422 13.8041 13.8041 14.1914 14.1914 14.4040 14.4040 k = 0.0000 0.3875 0.4949 ( 5264 PWs) bands (ev): -45.1360 -45.1360 -21.9034 -21.9034 -21.3285 -21.3285 -21.0991 -21.0991 -13.8169 -13.8169 -9.4314 -9.4314 -6.8376 -6.8376 -5.2206 -5.2206 -0.1277 -0.1277 1.5291 1.5291 4.3235 4.3235 5.0038 5.0038 5.8126 5.8126 6.9472 6.9472 7.7480 7.7480 8.1059 8.1059 8.2718 8.2718 8.8867 8.8867 10.7186 10.7186 12.4783 12.4783 13.2443 13.2443 13.8020 13.8020 14.2347 14.2347 14.4337 14.4337 k = 0.0000 0.4000 0.4949 ( 5258 PWs) bands (ev): -45.1360 -45.1360 -21.9041 -21.9041 -21.3293 -21.3293 -21.0991 -21.0991 -13.8154 -13.8154 -9.4121 -9.4121 -6.8609 -6.8609 -5.2159 -5.2159 -0.1418 -0.1418 1.5251 1.5251 4.3219 4.3219 5.0055 5.0055 5.8074 5.8074 6.9447 6.9447 7.7468 7.7468 8.2138 8.2138 8.2623 8.2623 8.9076 8.9076 10.5620 10.5620 12.4641 12.4641 13.2460 13.2460 13.7999 13.7999 14.2747 14.2747 14.4611 14.4611 k = 0.0000 0.4125 0.4949 ( 5258 PWs) bands (ev): -45.1360 -45.1360 -21.9047 -21.9047 -21.3300 -21.3300 -21.0992 -21.0992 -13.8141 -13.8141 -9.3945 -9.3945 -6.8825 -6.8825 -5.2112 -5.2112 -0.1544 -0.1544 1.5217 1.5217 4.3205 4.3205 5.0070 5.0070 5.7998 5.7998 6.9423 6.9423 7.7459 7.7459 8.2520 8.2520 8.3324 8.3324 8.9261 8.9261 10.4047 10.4047 12.4513 12.4513 13.2472 13.2472 13.7981 13.7981 14.3112 14.3112 14.4860 14.4860 k = 0.0000 0.4250 0.4949 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9053 -21.9053 -21.3307 -21.3307 -21.0992 -21.0992 -13.8129 -13.8129 -9.3787 -9.3787 -6.9019 -6.9019 -5.2069 -5.2069 -0.1656 -0.1656 1.5187 1.5187 4.3193 4.3193 5.0084 5.0084 5.7911 5.7911 6.9402 6.9402 7.7452 7.7452 8.2445 8.2445 8.4566 8.4566 8.9421 8.9421 10.2471 10.2471 12.4400 12.4400 13.2482 13.2482 13.7964 13.7964 14.3437 14.3437 14.5080 14.5080 k = 0.0000 0.4375 0.4949 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9057 -21.9057 -21.3312 -21.3312 -21.0992 -21.0992 -13.8119 -13.8119 -9.3650 -9.3650 -6.9188 -6.9188 -5.2029 -5.2029 -0.1752 -0.1752 1.5163 1.5163 4.3182 4.3182 5.0095 5.0095 5.7822 5.7822 6.9383 6.9383 7.7448 7.7448 8.2379 8.2379 8.5874 8.5874 8.9557 8.9557 10.0896 10.0896 12.4304 12.4304 13.2489 13.2489 13.7950 13.7950 14.3718 14.3718 14.5271 14.5271 k = 0.0000 0.4500 0.4949 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9061 -21.9061 -21.3317 -21.3317 -21.0992 -21.0992 -13.8110 -13.8110 -9.3535 -9.3535 -6.9331 -6.9331 -5.1995 -5.1995 -0.1831 -0.1831 1.5144 1.5144 4.3173 4.3173 5.0105 5.0105 5.7739 5.7739 6.9367 6.9367 7.7444 7.7444 8.2325 8.2325 8.7234 8.7234 8.9669 8.9669 9.9325 9.9325 12.4225 12.4225 13.2494 13.2494 13.7938 13.7938 14.3953 14.3953 14.5429 14.5429 k = 0.0000 0.4625 0.4949 ( 5264 PWs) bands (ev): -45.1359 -45.1359 -21.9064 -21.9064 -21.3320 -21.3320 -21.0992 -21.0992 -13.8104 -13.8104 -9.3444 -9.3444 -6.9444 -6.9444 -5.1968 -5.1968 -0.1894 -0.1894 1.5129 1.5129 4.3166 4.3166 5.0113 5.0113 5.7667 5.7667 6.9354 6.9354 7.7442 7.7442 8.2282 8.2282 8.8637 8.8637 8.9756 8.9756 9.7762 9.7762 12.4163 12.4163 13.2498 13.2498 13.7928 13.7928 14.4139 14.4139 14.5554 14.5554 k = 0.0000 0.4750 0.4949 ( 5264 PWs) bands (ev): -45.1359 -45.1359 -21.9067 -21.9067 -21.3323 -21.3323 -21.0992 -21.0992 -13.8099 -13.8099 -9.3378 -9.3378 -6.9527 -6.9527 -5.1948 -5.1948 -0.1938 -0.1938 1.5119 1.5119 4.3162 4.3162 5.0118 5.0118 5.7613 5.7613 6.9344 6.9344 7.7440 7.7440 8.2252 8.2252 8.9814 8.9814 9.0078 9.0078 9.6215 9.6215 12.4118 12.4118 13.2500 13.2500 13.7921 13.7921 14.4273 14.4273 14.5643 14.5643 k = 0.0000 0.4875 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3324 -21.3324 -21.0993 -21.0993 -13.8096 -13.8096 -9.3338 -9.3338 -6.9577 -6.9577 -5.1935 -5.1935 -0.1965 -0.1965 1.5112 1.5112 4.3159 4.3159 5.0122 5.0122 5.7580 5.7580 6.9338 6.9338 7.7439 7.7439 8.2234 8.2234 8.9854 8.9854 9.1518 9.1518 9.4706 9.4706 12.4091 12.4091 13.2501 13.2501 13.7917 13.7917 14.4354 14.4354 14.5698 14.5698 k = 0.0000 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0993 -21.0993 -13.8096 -13.8096 -9.3324 -9.3324 -6.9593 -6.9593 -5.1931 -5.1931 -0.1974 -0.1974 1.5110 1.5110 4.3158 4.3158 5.0123 5.0123 5.7568 5.7568 6.9336 6.9336 7.7439 7.7439 8.2228 8.2228 8.9866 8.9866 9.2615 9.2615 9.3587 9.3587 12.4082 12.4082 13.2502 13.2502 13.7916 13.7916 14.4381 14.4381 14.5716 14.5716 k = 0.0000 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0993 -21.0993 -13.8096 -13.8096 -9.3324 -9.3324 -6.9593 -6.9593 -5.1931 -5.1931 -0.1974 -0.1974 1.5110 1.5110 4.3158 4.3158 5.0123 5.0123 5.7568 5.7568 6.9336 6.9336 7.7439 7.7439 8.2228 8.2228 8.9866 8.9866 9.2615 9.2615 9.3587 9.3587 12.4082 12.4082 13.2502 13.2502 13.7916 13.7916 14.4381 14.4381 14.5716 14.5716 k = 0.0125 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9069 -21.9069 -21.3325 -21.3325 -21.0993 -21.0993 -13.8095 -13.8095 -9.3318 -9.3318 -6.9585 -6.9585 -5.1949 -5.1949 -0.1976 -0.1976 1.5095 1.5095 4.3195 4.3195 5.0122 5.0122 5.7572 5.7572 6.9351 6.9351 7.7449 7.7449 8.2185 8.2185 8.9857 8.9857 9.2607 9.2607 9.3581 9.3581 12.4093 12.4093 13.2479 13.2479 13.7922 13.7922 14.4382 14.4382 14.5713 14.5713 k = 0.0250 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9070 -21.9070 -21.3327 -21.3327 -21.0993 -21.0993 -13.8092 -13.8092 -9.3300 -9.3300 -6.9561 -6.9561 -5.2004 -5.2004 -0.1982 -0.1982 1.5050 1.5050 4.3307 4.3307 5.0121 5.0121 5.7584 5.7584 6.9396 6.9396 7.7479 7.7479 8.2057 8.2057 8.9828 8.9828 9.2583 9.2583 9.3561 9.3561 12.4125 12.4125 13.2411 13.2411 13.7939 13.7939 14.4384 14.4384 14.5705 14.5705 k = 0.0375 0.5000 0.4949 ( 5272 PWs) bands (ev): -45.1359 -45.1359 -21.9071 -21.9071 -21.3329 -21.3329 -21.0993 -21.0993 -13.8087 -13.8087 -9.3270 -9.3270 -6.9520 -6.9520 -5.2095 -5.2095 -0.1991 -0.1991 1.4976 1.4976 4.3493 4.3493 5.0119 5.0119 5.7603 5.7603 6.9470 6.9470 7.7530 7.7530 8.1846 8.1846 8.9781 8.9781 9.2543 9.2543 9.3529 9.3529 12.4177 12.4177 13.2295 13.2295 13.7969 13.7969 14.4387 14.4387 14.5694 14.5694 k = 0.0500 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1358 -45.1358 -21.9073 -21.9073 -21.3333 -21.3333 -21.0994 -21.0994 -13.8080 -13.8080 -9.3228 -9.3228 -6.9463 -6.9463 -5.2221 -5.2221 -0.2004 -0.2004 1.4874 1.4874 4.3752 4.3752 5.0116 5.0116 5.7630 5.7630 6.9570 6.9570 7.7600 7.7600 8.1555 8.1555 8.9716 8.9716 9.2488 9.2488 9.3483 9.3483 12.4250 12.4250 13.2129 13.2129 13.8008 13.8008 14.4392 14.4392 14.5682 14.5682 k = 0.0625 0.5000 0.4949 ( 5260 PWs) bands (ev): -45.1358 -45.1358 -21.9076 -21.9076 -21.3338 -21.3338 -21.0995 -21.0995 -13.8071 -13.8071 -9.3174 -9.3174 -6.9390 -6.9390 -5.2381 -5.2381 -0.2021 -0.2021 1.4745 1.4745 4.4084 4.4084 5.0113 5.0113 5.7665 5.7665 6.9697 6.9697 7.7691 7.7691 8.1188 8.1188 8.9634 8.9634 9.2417 9.2417 9.3424 9.3424 12.4340 12.4340 13.1910 13.1910 13.8058 13.8058 14.4399 14.4399 14.5674 14.5674 k = 0.0750 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1358 -45.1358 -21.9079 -21.9079 -21.3343 -21.3343 -21.0996 -21.0996 -13.8061 -13.8061 -9.3108 -9.3108 -6.9301 -6.9301 -5.2575 -5.2575 -0.2042 -0.2042 1.4590 1.4590 4.4486 4.4486 5.0111 5.0111 5.7706 5.7706 6.9846 6.9846 7.7802 7.7802 8.0748 8.0748 8.9536 8.9536 9.2333 9.2333 9.3350 9.3350 12.4447 12.4447 13.1632 13.1632 13.8116 13.8116 14.4406 14.4406 14.5674 14.5674 k = 0.0875 0.5000 0.4949 ( 5264 PWs) bands (ev): -45.1358 -45.1358 -21.9083 -21.9083 -21.3350 -21.3350 -21.0997 -21.0997 -13.8048 -13.8048 -9.3031 -9.3031 -6.9198 -6.9198 -5.2801 -5.2801 -0.2067 -0.2067 1.4411 1.4411 4.4957 4.4957 5.0110 5.0110 5.7755 5.7755 7.0015 7.0015 7.7933 7.7933 8.0243 8.0243 8.9422 8.9422 9.2234 9.2234 9.3264 9.3264 12.4567 12.4567 13.1292 13.1292 13.8182 13.8182 14.4415 14.4415 14.5686 14.5686 k = 0.1000 0.5000 0.4949 ( 5260 PWs) bands (ev): -45.1358 -45.1358 -21.9088 -21.9088 -21.3357 -21.3357 -21.0998 -21.0998 -13.8034 -13.8034 -9.2942 -9.2942 -6.9080 -6.9080 -5.3058 -5.3058 -0.2096 -0.2096 1.4211 1.4211 4.5494 4.5494 5.0112 5.0112 5.7810 5.7810 7.0202 7.0202 7.8085 7.8085 7.9677 7.9677 8.9294 8.9294 9.2124 9.2124 9.3163 9.3163 12.4699 12.4699 13.0886 13.0886 13.8255 13.8255 14.4426 14.4426 14.5715 14.5715 k = 0.1125 0.5000 0.4949 ( 5260 PWs) bands (ev): -45.1357 -45.1357 -21.9092 -21.9092 -21.3365 -21.3365 -21.1000 -21.1000 -13.8019 -13.8019 -9.2842 -9.2842 -6.8949 -6.8949 -5.3343 -5.3343 -0.2130 -0.2130 1.3992 1.3992 4.6095 4.6095 5.0119 5.0119 5.7871 5.7871 7.0402 7.0402 7.8256 7.8256 7.9056 7.9056 8.9154 8.9154 9.2001 9.2001 9.3049 9.3049 12.4840 12.4840 13.0409 13.0409 13.8332 13.8332 14.4438 14.4438 14.5765 14.5765 k = 0.1250 0.5000 0.4949 ( 5256 PWs) bands (ev): -45.1357 -45.1357 -21.9098 -21.9098 -21.3374 -21.3374 -21.1001 -21.1001 -13.8001 -13.8001 -9.2731 -9.2731 -6.8804 -6.8804 -5.3656 -5.3656 -0.2168 -0.2168 1.3756 1.3756 4.6753 4.6753 5.0134 5.0134 5.7938 5.7938 7.0613 7.0613 7.8388 7.8388 7.8447 7.8447 8.9002 8.9002 9.1867 9.1867 9.2921 9.2921 12.4986 12.4986 12.9860 12.9860 13.8414 13.8414 14.4451 14.4451 14.5839 14.5839 k = 0.1375 0.5000 0.4949 ( 5252 PWs) bands (ev): -45.1357 -45.1357 -21.9104 -21.9104 -21.3384 -21.3384 -21.1003 -21.1003 -13.7983 -13.7983 -9.2610 -9.2610 -6.8647 -6.8647 -5.3993 -5.3993 -0.2210 -0.2210 1.3506 1.3506 4.7460 4.7460 5.0164 5.0164 5.8010 5.8010 7.0832 7.0832 7.7678 7.7678 7.8657 7.8657 8.8841 8.8841 9.1724 9.1724 9.2781 9.2781 12.5134 12.5134 12.9236 12.9236 13.8499 13.8499 14.4466 14.4466 14.5941 14.5941 k = 0.1500 0.5000 0.4949 ( 5252 PWs) bands (ev): -45.1356 -45.1356 -21.9110 -21.9110 -21.3394 -21.3394 -21.1005 -21.1005 -13.7963 -13.7963 -9.2479 -9.2479 -6.8478 -6.8478 -5.4354 -5.4354 -0.2257 -0.2257 1.3245 1.3245 4.8194 4.8194 5.0230 5.0230 5.8086 5.8086 7.1056 7.1056 7.6933 7.6933 7.8884 7.8884 8.8672 8.8672 9.1573 9.1573 9.2628 9.2628 12.5281 12.5281 12.8538 12.8538 13.8586 13.8586 14.4482 14.4482 14.6069 14.6069 k = 0.1625 0.5000 0.4949 ( 5252 PWs) bands (ev): -45.1356 -45.1356 -21.9117 -21.9117 -21.3405 -21.3405 -21.1007 -21.1007 -13.7942 -13.7942 -9.2338 -9.2338 -6.8299 -6.8299 -5.4735 -5.4735 -0.2309 -0.2309 1.2974 1.2974 4.8899 4.8899 5.0386 5.0386 5.8166 5.8166 7.1282 7.1282 7.6160 7.6160 7.9128 7.9128 8.8496 8.8496 9.1414 9.1414 9.2464 9.2464 12.5422 12.5422 12.7764 12.7764 13.8675 13.8675 14.4499 14.4499 14.6227 14.6227 k = 0.1750 0.5000 0.4949 ( 5256 PWs) bands (ev): -45.1355 -45.1355 -21.9124 -21.9124 -21.3417 -21.3417 -21.1008 -21.1008 -13.7920 -13.7920 -9.2188 -9.2188 -6.8110 -6.8110 -5.5134 -5.5134 -0.2365 -0.2365 1.2697 1.2697 4.9426 4.9426 5.0777 5.0777 5.8250 5.8250 7.1507 7.1507 7.5366 7.5366 7.9386 7.9386 8.8315 8.8315 9.1249 9.1249 9.2289 9.2289 12.5554 12.5554 12.6918 12.6918 13.8764 13.8764 14.4517 14.4517 14.6412 14.6412 k = 0.1875 0.5000 0.4949 ( 5256 PWs) bands (ev): -45.1355 -45.1355 -21.9132 -21.9132 -21.3429 -21.3429 -21.1010 -21.1010 -13.7897 -13.7897 -9.2030 -9.2030 -6.7912 -6.7912 -5.5550 -5.5550 -0.2427 -0.2427 1.2416 1.2416 4.9681 4.9681 5.1497 5.1497 5.8335 5.8335 7.1731 7.1731 7.4555 7.4555 7.9658 7.9658 8.8131 8.8131 9.1079 9.1079 9.2105 9.2105 12.5663 12.5663 12.6012 12.6012 13.8854 13.8854 14.4535 14.4535 14.6622 14.6622 k = 0.2000 0.5000 0.4949 ( 5252 PWs) bands (ev): -45.1355 -45.1355 -21.9139 -21.9139 -21.3441 -21.3441 -21.1012 -21.1012 -13.7873 -13.7873 -9.1863 -9.1863 -6.7707 -6.7707 -5.5979 -5.5979 -0.2492 -0.2492 1.2133 1.2133 4.9788 4.9788 5.2419 5.2419 5.8422 5.8422 7.1950 7.1950 7.3736 7.3736 7.9940 7.9940 8.7945 8.7945 9.0905 9.0905 9.1912 9.1912 12.5002 12.5002 12.5792 12.5792 13.8943 13.8943 14.4555 14.4555 14.6857 14.6857 k = 0.2125 0.5000 0.4949 ( 5248 PWs) bands (ev): -45.1354 -45.1354 -21.9147 -21.9147 -21.3454 -21.3454 -21.1014 -21.1014 -13.7848 -13.7848 -9.1689 -9.1689 -6.7496 -6.7496 -5.6420 -5.6420 -0.2563 -0.2563 1.1851 1.1851 4.9840 4.9840 5.3446 5.3446 5.8508 5.8508 7.2163 7.2163 7.2913 7.2913 8.0231 8.0231 8.7758 8.7758 9.0729 9.0729 9.1712 9.1712 12.3953 12.3953 12.5875 12.5875 13.9031 13.9031 14.4575 14.4575 14.7110 14.7110 k = 0.2250 0.5000 0.4949 ( 5248 PWs) bands (ev): -45.1354 -45.1354 -21.9156 -21.9156 -21.3466 -21.3466 -21.1016 -21.1016 -13.7823 -13.7823 -9.1508 -9.1508 -6.7279 -6.7279 -5.6869 -5.6869 -0.2638 -0.2638 1.1572 1.1572 4.9870 4.9870 5.4544 5.4544 5.8593 5.8593 7.2093 7.2093 7.2370 7.2370 8.0527 8.0527 8.7572 8.7572 9.0552 9.0552 9.1505 9.1505 12.2840 12.2840 12.5941 12.5941 13.9119 13.9119 14.4595 14.4595 14.7260 14.7260 k = 0.2375 0.5000 0.4949 ( 5244 PWs) bands (ev): -45.1353 -45.1353 -21.9164 -21.9164 -21.3479 -21.3479 -21.1018 -21.1018 -13.7798 -13.7798 -9.1321 -9.1321 -6.7059 -6.7059 -5.7325 -5.7325 -0.2717 -0.2717 1.1298 1.1298 4.9891 4.9891 5.5698 5.5698 5.8674 5.8674 7.1282 7.1282 7.2570 7.2570 8.0826 8.0826 8.7389 8.7389 9.0374 9.0374 9.1294 9.1294 12.1669 12.1669 12.5984 12.5984 13.9204 13.9204 14.4616 14.4616 14.6847 14.6847 k = 0.2500 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1353 -45.1353 -21.9172 -21.9172 -21.3492 -21.3492 -21.1019 -21.1019 -13.7772 -13.7772 -9.1129 -9.1129 -6.6836 -6.6836 -5.7784 -5.7784 -0.2800 -0.2800 1.1031 1.1031 4.9907 4.9907 5.6901 5.6901 5.8751 5.8751 7.0486 7.0486 7.2762 7.2762 8.1125 8.1125 8.7210 8.7210 9.0197 9.0197 9.1079 9.1079 12.0444 12.0444 12.6003 12.6003 13.9288 13.9288 14.4636 14.4636 14.6448 14.6448 k = 0.2625 0.5000 0.4949 ( 5244 PWs) bands (ev): -45.1352 -45.1352 -21.9181 -21.9181 -21.3505 -21.3505 -21.1021 -21.1021 -13.7747 -13.7747 -9.0933 -9.0933 -6.6611 -6.6611 -5.8245 -5.8245 -0.2886 -0.2886 1.0772 1.0772 4.9921 4.9921 5.8147 5.8147 5.8821 5.8821 6.9711 6.9711 7.2946 7.2946 8.1422 8.1422 8.7037 8.7037 9.0022 9.0022 9.0861 9.0861 11.9169 11.9169 12.5997 12.5997 13.9370 13.9370 14.4657 14.4657 14.6097 14.6097 k = 0.2750 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1352 -45.1352 -21.9190 -21.9190 -21.3518 -21.3518 -21.1023 -21.1023 -13.7721 -13.7721 -9.0734 -9.0734 -6.6387 -6.6387 -5.8704 -5.8704 -0.2975 -0.2975 1.0523 1.0523 4.9933 4.9933 5.8879 5.8879 5.9435 5.9435 6.8962 6.8962 7.3122 7.3122 8.1713 8.1713 8.6870 8.6870 8.9850 8.9850 9.0643 9.0643 11.7848 11.7848 12.5967 12.5967 13.9450 13.9450 14.4678 14.4678 14.5794 14.5794 k = 0.2875 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1351 -45.1351 -21.9198 -21.9198 -21.3531 -21.3531 -21.1025 -21.1025 -13.7696 -13.7696 -9.0532 -9.0532 -6.6165 -6.6165 -5.9160 -5.9160 -0.3067 -0.3067 1.0285 1.0285 4.9944 4.9944 5.8929 5.8929 6.0757 6.0757 6.8245 6.8245 7.3289 7.3289 8.1995 8.1995 8.6711 8.6711 8.9682 8.9682 9.0425 9.0425 11.6485 11.6485 12.5913 12.5913 13.9527 13.9527 14.4698 14.4698 14.5538 14.5538 k = 0.3000 0.5000 0.4949 ( 5236 PWs) bands (ev): -45.1351 -45.1351 -21.9206 -21.9206 -21.3543 -21.3543 -21.1026 -21.1026 -13.7672 -13.7672 -9.0330 -9.0330 -6.5946 -6.5946 -5.9609 -5.9609 -0.3160 -0.3160 1.0059 1.0059 4.9955 4.9955 5.8962 5.8962 6.2113 6.2113 6.7567 6.7567 7.3447 7.3447 8.2266 8.2266 8.6562 8.6562 8.9518 8.9518 9.0210 9.0210 11.5085 11.5085 12.5837 12.5837 13.9601 13.9601 14.4718 14.4718 14.5328 14.5328 k = 0.3125 0.5000 0.4949 ( 5236 PWs) bands (ev): -45.1350 -45.1350 -21.9215 -21.9215 -21.3555 -21.3555 -21.1028 -21.1028 -13.7647 -13.7647 -9.0129 -9.0129 -6.5731 -6.5731 -6.0049 -6.0049 -0.3254 -0.3254 0.9845 0.9845 4.9965 4.9965 5.8978 5.8978 6.3500 6.3500 6.6933 6.6933 7.3596 7.3596 8.2522 8.2522 8.6424 8.6424 8.9360 8.9360 8.9997 8.9997 11.3651 11.3651 12.5742 12.5742 13.9672 13.9672 14.4737 14.4737 14.5160 14.5160 k = 0.3250 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1350 -45.1350 -21.9223 -21.9223 -21.3567 -21.3567 -21.1029 -21.1029 -13.7624 -13.7624 -8.9929 -8.9929 -6.5521 -6.5521 -6.0477 -6.0477 -0.3348 -0.3348 0.9645 0.9645 4.9975 4.9975 5.8973 5.8973 6.4913 6.4913 6.6350 6.6350 7.3737 7.3737 8.2763 8.2763 8.6298 8.6298 8.9209 8.9209 8.9790 8.9790 11.2188 11.2188 12.5630 12.5630 13.9739 13.9739 14.4753 14.4753 14.5032 14.5032 k = 0.3375 0.5000 0.4949 ( 5244 PWs) bands (ev): -45.1349 -45.1349 -21.9230 -21.9230 -21.3578 -21.3578 -21.1030 -21.1030 -13.7602 -13.7602 -8.9732 -8.9732 -6.5319 -6.5319 -6.0891 -6.0891 -0.3442 -0.3442 0.9459 0.9459 4.9985 4.9985 5.8945 5.8945 6.5821 6.5821 6.6350 6.6350 7.3868 7.3868 8.2984 8.2984 8.6186 8.6186 8.9065 8.9065 8.9590 8.9590 11.0700 11.0700 12.5506 12.5506 13.9804 13.9804 14.4765 14.4765 14.4942 14.4942 k = 0.3500 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1349 -45.1349 -21.9238 -21.9238 -21.3589 -21.3589 -21.1032 -21.1032 -13.7580 -13.7580 -8.9541 -8.9541 -6.5126 -6.5126 -6.1288 -6.1288 -0.3533 -0.3533 0.9287 0.9287 4.9995 4.9995 5.8891 5.8891 6.5351 6.5351 6.7808 6.7808 7.3991 7.3991 8.3183 8.3183 8.6090 8.6090 8.8929 8.8929 8.9397 8.9397 10.9192 10.9192 12.5373 12.5373 13.9864 13.9864 14.4769 14.4769 14.4888 14.4888 k = 0.3625 0.5000 0.4949 ( 5240 PWs) bands (ev): -45.1349 -45.1349 -21.9245 -21.9245 -21.3599 -21.3599 -21.1033 -21.1033 -13.7560 -13.7560 -8.9356 -8.9356 -6.4943 -6.4943 -6.1666 -6.1666 -0.3622 -0.3622 0.9129 0.9129 5.0004 5.0004 5.8811 5.8811 6.4942 6.4942 6.9281 6.9281 7.4104 7.4104 8.3359 8.3359 8.6011 8.6011 8.8801 8.8801 8.9214 8.9214 10.7669 10.7669 12.5234 12.5234 13.9921 13.9921 14.4763 14.4763 14.4869 14.4869 k = 0.3750 0.5000 0.4949 ( 5248 PWs) bands (ev): -45.1348 -45.1348 -21.9251 -21.9251 -21.3608 -21.3608 -21.1034 -21.1034 -13.7541 -13.7541 -8.9179 -8.9179 -6.4771 -6.4771 -6.2021 -6.2021 -0.3707 -0.3707 0.8986 0.8986 5.0013 5.0013 5.8708 5.8708 6.4594 6.4594 7.0765 7.0765 7.4208 7.4208 8.3511 8.3511 8.5949 8.5949 8.8682 8.8682 8.9042 8.9042 10.6135 10.6135 12.5093 12.5093 13.9973 13.9973 14.4754 14.4754 14.4872 14.4872 k = 0.3875 0.5000 0.4949 ( 5264 PWs) bands (ev): -45.1348 -45.1348 -21.9257 -21.9257 -21.3616 -21.3616 -21.1035 -21.1035 -13.7524 -13.7524 -8.9012 -8.9012 -6.4611 -6.4611 -6.2352 -6.2352 -0.3788 -0.3788 0.8857 0.8857 5.0022 5.0022 5.8583 5.8583 6.4306 6.4306 7.2254 7.2254 7.4303 7.4303 8.3637 8.3637 8.5905 8.5905 8.8572 8.8572 8.8882 8.8882 10.4599 10.4599 12.4955 12.4955 14.0021 14.0021 14.4752 14.4752 14.4883 14.4883 k = 0.4000 0.5000 0.4949 ( 5260 PWs) bands (ev): -45.1348 -45.1348 -21.9263 -21.9263 -21.3624 -21.3624 -21.1036 -21.1036 -13.7508 -13.7508 -8.8856 -8.8856 -6.4466 -6.4466 -6.2655 -6.2655 -0.3862 -0.3862 0.8742 0.8742 5.0030 5.0030 5.8444 5.8444 6.4073 6.4073 7.3741 7.3741 7.4389 7.4389 8.3738 8.3738 8.5878 8.5878 8.8472 8.8472 8.8737 8.8737 10.3067 10.3067 12.4821 12.4821 14.0065 14.0065 14.4758 14.4758 14.4896 14.4896 k = 0.4125 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1347 -45.1347 -21.9268 -21.9268 -21.3631 -21.3631 -21.1036 -21.1036 -13.7493 -13.7493 -8.8714 -8.8714 -6.4335 -6.4335 -6.2929 -6.2929 -0.3931 -0.3931 0.8642 0.8642 5.0037 5.0037 5.8297 5.8297 6.3888 6.3888 7.4465 7.4465 7.5216 7.5216 8.3817 8.3817 8.5865 8.5865 8.8381 8.8381 8.8608 8.8608 10.1551 10.1551 12.4696 12.4696 14.0104 14.0104 14.4770 14.4770 14.4911 14.4911 k = 0.4250 0.5000 0.4949 ( 5272 PWs) bands (ev): -45.1347 -45.1347 -21.9273 -21.9273 -21.3637 -21.3637 -21.1037 -21.1037 -13.7481 -13.7481 -8.8587 -8.8587 -6.4221 -6.4221 -6.3170 -6.3170 -0.3992 -0.3992 0.8555 0.8555 5.0043 5.0043 5.8150 5.8150 6.3746 6.3746 7.4531 7.4531 7.6664 7.6664 8.3875 8.3875 8.5865 8.5865 8.8298 8.8298 8.8497 8.8497 10.0065 10.0065 12.4582 12.4582 14.0138 14.0138 14.4785 14.4785 14.4926 14.4926 k = 0.4375 0.5000 0.4949 ( 5264 PWs) bands (ev): -45.1347 -45.1347 -21.9276 -21.9276 -21.3643 -21.3643 -21.1037 -21.1037 -13.7470 -13.7470 -8.8476 -8.8476 -6.4124 -6.4124 -6.3376 -6.3376 -0.4045 -0.4045 0.8482 0.8482 5.0048 5.0048 5.8012 5.8012 6.3638 6.3638 7.4587 7.4587 7.8064 7.8064 8.3917 8.3917 8.5873 8.5873 8.8223 8.8223 8.8408 8.8408 9.8629 9.8629 12.4482 12.4482 14.0167 14.0167 14.4801 14.4801 14.4941 14.4941 k = 0.4500 0.5000 0.4949 ( 5260 PWs) bands (ev): -45.1347 -45.1347 -21.9280 -21.9280 -21.3647 -21.3647 -21.1038 -21.1038 -13.7461 -13.7461 -8.8383 -8.8383 -6.4048 -6.4048 -6.3544 -6.3544 -0.4089 -0.4089 0.8423 0.8423 5.0053 5.0053 5.7889 5.7889 6.3560 6.3560 7.4633 7.4633 7.9385 7.9385 8.3947 8.3947 8.5886 8.5886 8.8156 8.8156 8.8341 8.8341 9.7276 9.7276 12.4397 12.4397 14.0191 14.0191 14.4815 14.4815 14.4955 14.4955 k = 0.4625 0.5000 0.4949 ( 5272 PWs) bands (ev): -45.1347 -45.1347 -21.9282 -21.9282 -21.3650 -21.3650 -21.1038 -21.1038 -13.7454 -13.7454 -8.8310 -8.8310 -6.3995 -6.3995 -6.3669 -6.3669 -0.4124 -0.4124 0.8377 0.8377 5.0057 5.0057 5.7786 5.7786 6.3504 6.3504 7.4669 7.4669 8.0575 8.0575 8.3969 8.3969 8.5899 8.5899 8.8097 8.8097 8.8297 8.8297 9.6055 9.6055 12.4329 12.4329 14.0210 14.0210 14.4828 14.4828 14.4967 14.4967 k = 0.4750 0.5000 0.4949 ( 5280 PWs) bands (ev): -45.1347 -45.1347 -21.9284 -21.9284 -21.3653 -21.3653 -21.1038 -21.1038 -13.7449 -13.7449 -8.8256 -8.8256 -6.3972 -6.3972 -6.3745 -6.3745 -0.4149 -0.4149 0.8344 0.8344 5.0059 5.0059 5.7710 5.7710 6.3467 6.3467 7.4695 7.4695 8.1555 8.1555 8.3987 8.3987 8.5911 8.5911 8.8049 8.8049 8.8274 8.8274 9.5045 9.5045 12.4279 12.4279 14.0224 14.0224 14.4837 14.4837 14.4976 14.4976 k = 0.4875 0.5000 0.4949 ( 5276 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3654 -21.3654 -21.1039 -21.1039 -13.7446 -13.7446 -8.8224 -8.8224 -6.3972 -6.3972 -6.3776 -6.3776 -0.4165 -0.4165 0.8325 0.8325 5.0061 5.0061 5.7663 5.7663 6.3446 6.3446 7.4710 7.4710 8.2217 8.2217 8.4003 8.4003 8.5919 8.5919 8.8017 8.8017 8.8266 8.8266 9.4356 9.4356 12.4249 12.4249 14.0232 14.0232 14.4842 14.4842 14.4982 14.4982 k = 0.5000 0.5000 0.4949 ( 5280 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1039 -21.1039 -13.7445 -13.7445 -8.8213 -8.8213 -6.3977 -6.3977 -6.3782 -6.3782 -0.4170 -0.4170 0.8318 0.8318 5.0061 5.0061 5.7647 5.7647 6.3440 6.3440 7.4716 7.4716 8.2452 8.2452 8.4010 8.4010 8.5922 8.5922 8.8006 8.8006 8.8265 8.8265 9.4108 9.4108 12.4239 12.4239 14.0235 14.0235 14.4844 14.4844 14.4984 14.4984 k = 0.5000 0.5000 0.4949 ( 5280 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1039 -21.1039 -13.7445 -13.7445 -8.8213 -8.8213 -6.3977 -6.3977 -6.3782 -6.3782 -0.4170 -0.4170 0.8318 0.8318 5.0061 5.0061 5.7647 5.7647 6.3440 6.3440 7.4716 7.4716 8.2452 8.2452 8.4010 8.4010 8.5922 8.5922 8.8006 8.8006 8.8265 8.8265 9.4108 9.4108 12.4239 12.4239 14.0235 14.0235 14.4844 14.4844 14.4984 14.4984 k = 0.4911 0.4911 0.4949 ( 5276 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3654 -21.3654 -21.1039 -21.1039 -13.7446 -13.7446 -8.8224 -8.8224 -6.3971 -6.3971 -6.3777 -6.3777 -0.4164 -0.4164 0.8325 0.8325 5.0061 5.0061 5.7663 5.7663 6.3446 6.3446 7.4710 7.4710 8.2217 8.2217 8.4003 8.4003 8.5919 8.5919 8.7865 8.7865 8.8417 8.8417 9.4356 9.4356 12.4250 12.4250 14.0232 14.0232 14.4842 14.4842 14.4983 14.4983 k = 0.4821 0.4821 0.4949 ( 5274 PWs) bands (ev): -45.1347 -45.1347 -21.9284 -21.9284 -21.3653 -21.3653 -21.1038 -21.1038 -13.7449 -13.7449 -8.8257 -8.8257 -6.3958 -6.3958 -6.3758 -6.3758 -0.4149 -0.4149 0.8345 0.8345 5.0059 5.0059 5.7712 5.7712 6.3467 6.3467 7.4694 7.4694 8.1602 8.1602 8.3989 8.3989 8.5910 8.5910 8.7260 8.7260 8.9053 8.9053 9.5009 9.5009 12.4280 12.4280 14.0224 14.0224 14.4828 14.4828 14.4984 14.4984 k = 0.4732 0.4732 0.4949 ( 5272 PWs) bands (ev): -45.1347 -45.1347 -21.9282 -21.9282 -21.3650 -21.3650 -21.1038 -21.1038 -13.7454 -13.7454 -8.8312 -8.8312 -6.3941 -6.3941 -6.3721 -6.3721 -0.4123 -0.4123 0.8378 0.8378 5.0057 5.0057 5.7793 5.7793 6.3500 6.3500 7.4668 7.4668 8.0765 8.0765 8.3974 8.3974 8.5893 8.5893 8.6410 8.6410 8.9948 8.9948 9.5906 9.5906 12.4331 12.4331 14.0210 14.0210 14.4791 14.4791 14.5002 14.5002 k = 0.4643 0.4643 0.4949 ( 5260 PWs) bands (ev): -45.1347 -45.1347 -21.9279 -21.9279 -21.3647 -21.3647 -21.1038 -21.1038 -13.7461 -13.7461 -8.8388 -8.8388 -6.3929 -6.3929 -6.3658 -6.3658 -0.4086 -0.4086 0.8424 0.8424 5.0053 5.0053 5.7905 5.7905 6.3545 6.3545 7.4632 7.4632 7.9817 7.9817 8.3959 8.3959 8.5432 8.5432 8.5881 8.5881 9.0978 9.0978 9.6936 9.6936 12.4401 12.4401 14.0191 14.0191 14.4725 14.4725 14.5040 14.5040 k = 0.4554 0.4554 0.4949 ( 5272 PWs) bands (ev): -45.1347 -45.1347 -21.9276 -21.9276 -21.3642 -21.3642 -21.1037 -21.1037 -13.7470 -13.7470 -8.8486 -8.8486 -6.3923 -6.3923 -6.3569 -6.3569 -0.4039 -0.4039 0.8484 0.8484 5.0048 5.0048 5.8047 5.8047 6.3600 6.3600 7.4585 7.4585 7.8815 7.8815 8.3942 8.3942 8.4408 8.4408 8.5851 8.5851 9.2084 9.2084 9.8040 9.8040 12.4491 12.4491 14.0167 14.0167 14.4633 14.4633 14.5097 14.5097 k = 0.4464 0.4464 0.4949 ( 5270 PWs) bands (ev): -45.1347 -45.1347 -21.9272 -21.9272 -21.3637 -21.3637 -21.1037 -21.1037 -13.7482 -13.7482 -8.8604 -8.8604 -6.3922 -6.3922 -6.3454 -6.3454 -0.3982 -0.3982 0.8556 0.8556 5.0042 5.0042 5.8219 5.8219 6.3663 6.3663 7.4529 7.4529 7.7791 7.7791 8.3359 8.3359 8.3923 8.3923 8.5819 8.5819 9.3237 9.3237 9.9187 9.9187 12.4598 12.4598 14.0138 14.0138 14.4518 14.4518 14.5171 14.5171 k = 0.4375 0.4375 0.4949 ( 5270 PWs) bands (ev): -45.1347 -45.1347 -21.9267 -21.9267 -21.3630 -21.3630 -21.1036 -21.1036 -13.7495 -13.7495 -8.8741 -8.8741 -6.3925 -6.3925 -6.3316 -6.3316 -0.3915 -0.3915 0.8642 0.8642 5.0035 5.0035 5.8417 5.8417 6.3732 6.3732 7.4463 7.4463 7.6762 7.6762 8.2307 8.2307 8.3900 8.3900 8.5780 8.5780 9.4419 9.4419 10.0360 10.0360 12.4722 12.4722 14.0105 14.0105 14.4380 14.4380 14.5261 14.5261 k = 0.4286 0.4286 0.4949 ( 5278 PWs) bands (ev): -45.1348 -45.1348 -21.9262 -21.9262 -21.3623 -21.3623 -21.1035 -21.1035 -13.7510 -13.7510 -8.8897 -8.8897 -6.3931 -6.3931 -6.3155 -6.3155 -0.3838 -0.3838 0.8740 0.8740 5.0027 5.0027 5.8640 5.8640 6.3802 6.3802 7.4387 7.4387 7.5740 7.5740 8.1267 8.1267 8.3874 8.3874 8.5736 8.5736 9.5621 9.5621 10.1548 10.1548 12.4862 12.4862 14.0067 14.0067 14.4221 14.4221 14.5366 14.5366 k = 0.4196 0.4196 0.4949 ( 5274 PWs) bands (ev): -45.1348 -45.1348 -21.9256 -21.9256 -21.3615 -21.3615 -21.1035 -21.1035 -13.7527 -13.7527 -8.9072 -8.9072 -6.3939 -6.3939 -6.2974 -6.2974 -0.3752 -0.3752 0.8850 0.8850 5.0018 5.0018 5.8885 5.8885 6.3868 6.3868 7.4303 7.4303 7.4732 7.4732 8.0248 8.0248 8.3844 8.3844 8.5685 8.5685 9.6837 9.6837 10.2744 10.2744 12.5016 12.5016 14.0026 14.0026 14.4041 14.4041 14.5488 14.5488 k = 0.4107 0.4107 0.4949 ( 5272 PWs) bands (ev): -45.1348 -45.1348 -21.9249 -21.9249 -21.3606 -21.3606 -21.1034 -21.1034 -13.7545 -13.7545 -8.9264 -8.9264 -6.3948 -6.3948 -6.2773 -6.2773 -0.3656 -0.3656 0.8973 0.8973 5.0008 5.0008 5.9147 5.9147 6.3926 6.3926 7.3747 7.3747 7.4211 7.4211 7.9263 7.9263 8.3810 8.3810 8.5628 8.5628 9.8062 9.8062 10.3944 10.3944 12.5182 12.5182 13.9982 13.9982 14.3841 14.3841 14.5625 14.5625 k = 0.4018 0.4018 0.4949 ( 5260 PWs) bands (ev): -45.1349 -45.1349 -21.9242 -21.9242 -21.3596 -21.3596 -21.1033 -21.1033 -13.7566 -13.7566 -8.9471 -8.9471 -6.3959 -6.3959 -6.2554 -6.2554 -0.3550 -0.3550 0.9108 0.9108 4.9997 4.9997 5.9421 5.9421 6.3966 6.3966 7.2792 7.2792 7.4111 7.4111 7.8321 7.8321 8.3771 8.3771 8.5565 8.5565 9.9294 9.9294 10.5145 10.5145 12.5360 12.5360 13.9934 13.9934 14.3622 14.3622 14.5778 14.5778 k = 0.3929 0.3929 0.4949 ( 5272 PWs) bands (ev): -45.1349 -45.1349 -21.9234 -21.9234 -21.3585 -21.3585 -21.1032 -21.1032 -13.7588 -13.7588 -8.9694 -8.9694 -6.3972 -6.3972 -6.2317 -6.2317 -0.3435 -0.3435 0.9255 0.9255 4.9984 4.9984 5.9699 5.9699 6.3981 6.3981 7.1876 7.1876 7.4003 7.4003 7.7435 7.7435 8.3729 8.3729 8.5496 8.5496 10.0528 10.0528 10.6342 10.6342 12.5547 12.5547 13.9885 13.9885 14.3384 14.3384 14.5948 14.5948 k = 0.3839 0.3839 0.4949 ( 5262 PWs) bands (ev): -45.1350 -45.1350 -21.9225 -21.9225 -21.3573 -21.3573 -21.1030 -21.1030 -13.7611 -13.7611 -8.9931 -8.9931 -6.3985 -6.3985 -6.2064 -6.2064 -0.3312 -0.3312 0.9414 0.9414 4.9971 4.9971 5.9970 5.9970 6.3957 6.3957 7.1011 7.1011 7.3888 7.3888 7.6616 7.6616 8.3681 8.3681 8.5421 8.5421 10.1764 10.1764 10.7535 10.7535 12.5742 12.5742 13.9833 13.9833 14.3127 14.3127 14.6133 14.6133 k = 0.3750 0.3750 0.4949 ( 5254 PWs) bands (ev): -45.1350 -45.1350 -21.9216 -21.9216 -21.3561 -21.3561 -21.1029 -21.1029 -13.7637 -13.7637 -9.0181 -9.0181 -6.3999 -6.3999 -6.1795 -6.1795 -0.3180 -0.3180 0.9583 0.9583 4.9957 4.9957 6.0220 6.0220 6.3884 6.3884 7.0210 7.0210 7.3767 7.3767 7.5879 7.5879 8.3629 8.3629 8.5339 8.5339 10.2999 10.2999 10.8721 10.8721 12.5943 12.5943 13.9779 13.9779 14.2852 14.2852 14.6334 14.6334 k = 0.3661 0.3661 0.4949 ( 5258 PWs) bands (ev): -45.1351 -45.1351 -21.9207 -21.9207 -21.3547 -21.3547 -21.1028 -21.1028 -13.7663 -13.7663 -9.0443 -9.0443 -6.4015 -6.4015 -6.1511 -6.1511 -0.3040 -0.3040 0.9764 0.9764 4.9942 4.9942 6.0429 6.0429 6.3747 6.3747 6.9496 6.9496 7.3640 7.3640 7.5239 7.5239 8.3571 8.3571 8.5250 8.5250 10.4231 10.4231 10.9898 10.9898 12.6147 12.6147 13.9724 13.9724 14.2561 14.2561 14.6550 14.6550 k = 0.3571 0.3571 0.4949 ( 5250 PWs) bands (ev): -45.1351 -45.1351 -21.9196 -21.9196 -21.3533 -21.3533 -21.1026 -21.1026 -13.7691 -13.7691 -9.0715 -9.0715 -6.4030 -6.4030 -6.1214 -6.1214 -0.2892 -0.2892 0.9955 0.9955 4.9926 4.9926 6.0571 6.0571 6.3533 6.3533 6.8891 6.8891 7.3508 7.3508 7.4709 7.4709 8.3508 8.3508 8.5155 8.5155 10.5459 10.5459 11.1064 11.1064 12.6354 12.6354 13.9669 13.9669 14.2254 14.2254 14.6781 14.6781 k = 0.3482 0.3482 0.4949 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9186 -21.9186 -21.3519 -21.3519 -21.1025 -21.1025 -13.7720 -13.7720 -9.0997 -9.0997 -6.4047 -6.4047 -6.0905 -6.0905 -0.2737 -0.2737 1.0156 1.0156 4.9910 4.9910 6.0616 6.0616 6.3234 6.3234 6.8427 6.8427 7.3371 7.3371 7.4298 7.4298 8.3439 8.3439 8.5053 8.5053 10.6680 10.6680 11.2220 11.2220 12.6562 12.6562 13.9612 13.9612 14.1931 14.1931 14.7025 14.7025 k = 0.3393 0.3393 0.4949 ( 5238 PWs) bands (ev): -45.1352 -45.1352 -21.9175 -21.9175 -21.3504 -21.3504 -21.1023 -21.1023 -13.7750 -13.7750 -9.1288 -9.1288 -6.4064 -6.4064 -6.0583 -6.0583 -0.2575 -0.2575 1.0367 1.0367 4.9892 4.9892 6.0537 6.0537 6.2846 6.2846 6.8131 6.8131 7.3230 7.3230 7.4011 7.4011 8.3364 8.3364 8.4945 8.4945 10.7894 10.7894 11.3362 11.3362 12.6768 12.6768 13.9556 13.9556 14.1595 14.1595 14.7274 14.7274 k = 0.3304 0.3304 0.4949 ( 5230 PWs) bands (ev): -45.1353 -45.1353 -21.9163 -21.9163 -21.3488 -21.3488 -21.1022 -21.1022 -13.7781 -13.7781 -9.1586 -9.1586 -6.4081 -6.4081 -6.0251 -6.0251 -0.2406 -0.2406 1.0587 1.0587 4.9873 4.9873 6.0318 6.0318 6.2372 6.2372 6.8015 6.8015 7.3086 7.3086 7.3845 7.3845 8.3283 8.3283 8.4831 8.4831 10.9098 10.9098 11.4490 11.4490 12.6973 12.6973 13.9499 13.9499 14.1245 14.1245 14.7281 14.7281 k = 0.3214 0.3214 0.4949 ( 5228 PWs) bands (ev): -45.1353 -45.1353 -21.9151 -21.9151 -21.3471 -21.3471 -21.1020 -21.1020 -13.7813 -13.7813 -9.1890 -9.1890 -6.4099 -6.4099 -5.9910 -5.9910 -0.2230 -0.2230 1.0816 1.0816 4.9854 4.9854 5.9965 5.9965 6.1819 6.1819 6.8077 6.8077 7.2939 7.2939 7.3793 7.3793 8.3196 8.3196 8.4710 8.4710 11.0291 11.0291 11.5602 11.5602 12.7173 12.7173 13.9442 13.9442 14.0884 14.0884 14.6793 14.6793 k = 0.3125 0.3125 0.4949 ( 5232 PWs) bands (ev): -45.1354 -45.1354 -21.9139 -21.9139 -21.3454 -21.3454 -21.1018 -21.1018 -13.7846 -13.7846 -9.2199 -9.2199 -6.4116 -6.4116 -5.9559 -5.9559 -0.2049 -0.2049 1.1053 1.1053 4.9833 4.9833 5.9497 5.9497 6.1199 6.1199 6.8293 6.8293 7.2789 7.2789 7.3843 7.3843 8.3102 8.3102 8.4583 8.4583 11.1471 11.1471 11.6698 11.6698 12.7368 12.7368 13.9383 13.9383 14.0515 14.0515 14.6268 14.6268 k = 0.3036 0.3036 0.4949 ( 5228 PWs) bands (ev): -45.1355 -45.1355 -21.9126 -21.9126 -21.3437 -21.3437 -21.1017 -21.1017 -13.7879 -13.7879 -9.2513 -9.2513 -6.4134 -6.4134 -5.9201 -5.9201 -0.1863 -0.1863 1.1297 1.1297 4.9812 4.9812 5.8943 5.8943 6.0526 6.0526 6.8636 6.8636 7.2637 7.2637 7.3981 7.3981 8.3001 8.3001 8.4451 8.4451 11.2638 11.2638 11.7775 11.7775 12.7558 12.7558 13.9321 13.9321 14.0140 14.0140 14.5726 14.5726 k = 0.2946 0.2946 0.4949 ( 5228 PWs) bands (ev): -45.1355 -45.1355 -21.9113 -21.9113 -21.3419 -21.3419 -21.1015 -21.1015 -13.7913 -13.7913 -9.2829 -9.2829 -6.4152 -6.4152 -5.8836 -5.8836 -0.1671 -0.1671 1.1549 1.1549 4.9789 4.9789 5.8329 5.8329 5.9813 5.9813 6.9077 6.9077 7.2484 7.2484 7.4195 7.4195 8.2892 8.2892 8.4313 8.4313 11.3788 11.3788 11.8834 11.8834 12.7740 12.7740 13.9243 13.9243 13.9772 13.9772 14.5170 14.5170 k = 0.2857 0.2857 0.4949 ( 5236 PWs) bands (ev): -45.1356 -45.1356 -21.9100 -21.9100 -21.3401 -21.3401 -21.1013 -21.1013 -13.7948 -13.7948 -9.3148 -9.3148 -6.4170 -6.4170 -5.8465 -5.8465 -0.1476 -0.1476 1.1807 1.1807 4.9765 4.9765 5.7678 5.7678 5.9072 5.9072 6.9593 6.9593 7.2329 7.2329 7.4472 7.4472 8.2776 8.2776 8.4169 8.4169 11.4921 11.4921 11.9873 11.9873 12.7916 12.7916 13.9104 13.9104 13.9460 13.9460 14.4601 14.4601 k = 0.2768 0.2768 0.4949 ( 5238 PWs) bands (ev): -45.1357 -45.1357 -21.9087 -21.9087 -21.3383 -21.3383 -21.1011 -21.1011 -13.7983 -13.7983 -9.3468 -9.3468 -6.4188 -6.4188 -5.8090 -5.8090 -0.1276 -0.1276 1.2072 1.2072 4.9739 4.9739 5.7006 5.7006 5.8312 5.8312 7.0168 7.0168 7.2174 7.2174 7.4802 7.4802 8.2653 8.2653 8.4022 8.4022 11.6034 11.6034 12.0891 12.0891 12.8083 12.8083 13.8814 13.8814 13.9294 13.9294 14.4024 14.4024 k = 0.2679 0.2679 0.4949 ( 5230 PWs) bands (ev): -45.1357 -45.1357 -21.9074 -21.9074 -21.3364 -21.3364 -21.1009 -21.1009 -13.8018 -13.8018 -9.3788 -9.3788 -6.4206 -6.4206 -5.7711 -5.7711 -0.1074 -0.1074 1.2341 1.2341 4.9712 4.9712 5.6324 5.6324 5.7542 5.7542 7.0788 7.0788 7.2019 7.2019 7.5177 7.5177 8.2522 8.2522 8.3870 8.3870 11.7127 11.7127 12.1888 12.1888 12.8241 12.8241 13.8434 13.8434 13.9215 13.9215 14.3438 14.3438 k = 0.2589 0.2589 0.4949 ( 5230 PWs) bands (ev): -45.1358 -45.1358 -21.9060 -21.9060 -21.3345 -21.3345 -21.1007 -21.1007 -13.8053 -13.8053 -9.4107 -9.4107 -6.4223 -6.4223 -5.7330 -5.7330 -0.0869 -0.0869 1.2615 1.2615 4.9682 4.9682 5.5642 5.5642 5.6769 5.6769 7.1443 7.1443 7.1865 7.1865 7.5589 7.5589 8.2383 8.2383 8.3715 8.3715 11.8197 11.8197 12.2861 12.2861 12.8391 12.8391 13.8029 13.8029 13.9158 13.9158 14.2847 14.2847 k = 0.2500 0.2500 0.4949 ( 5230 PWs) bands (ev): -45.1359 -45.1359 -21.9046 -21.9046 -21.3326 -21.3326 -21.1005 -21.1005 -13.8088 -13.8088 -9.4424 -9.4424 -6.4241 -6.4241 -5.6947 -5.6947 -0.0661 -0.0661 1.2892 1.2892 4.9649 4.9649 5.4967 5.4967 5.5999 5.5999 7.1710 7.1710 7.2127 7.2127 7.6032 7.6032 8.2236 8.2236 8.3556 8.3556 11.9242 11.9242 12.3810 12.3810 12.8533 12.8533 13.7614 13.7614 13.9109 13.9109 14.2253 14.2253 k = 0.2411 0.2411 0.4949 ( 5226 PWs) bands (ev): -45.1360 -45.1360 -21.9033 -21.9033 -21.3308 -21.3308 -21.1003 -21.1003 -13.8123 -13.8123 -9.4738 -9.4738 -6.4257 -6.4257 -5.6564 -5.6564 -0.0453 -0.0453 1.3173 1.3173 4.9611 4.9611 5.4305 5.4305 5.5235 5.5235 7.1558 7.1558 7.2832 7.2832 7.6501 7.6501 8.2082 8.2082 8.3396 8.3396 12.0260 12.0260 12.4735 12.4735 12.8666 12.8666 13.7197 13.7197 13.9065 13.9065 14.1658 14.1658 k = 0.2321 0.2321 0.4949 ( 5230 PWs) bands (ev): -45.1360 -45.1360 -21.9019 -21.9019 -21.3289 -21.3289 -21.1001 -21.1001 -13.8158 -13.8158 -9.5049 -9.5049 -6.4274 -6.4274 -5.6181 -5.6181 -0.0244 -0.0244 1.3455 1.3455 4.9567 4.9567 5.3660 5.3660 5.4482 5.4482 7.1406 7.1406 7.3554 7.3554 7.6991 7.6991 8.1920 8.1920 8.3234 8.3234 12.1250 12.1250 12.5634 12.5634 12.8790 12.8790 13.6778 13.6778 13.9023 13.9023 14.1066 14.1066 k = 0.2232 0.2232 0.4949 ( 5238 PWs) bands (ev): -45.1361 -45.1361 -21.9006 -21.9006 -21.3270 -21.3270 -21.0999 -21.0999 -13.8192 -13.8192 -9.5356 -9.5356 -6.4290 -6.4290 -5.5800 -5.5800 -0.0034 -0.0034 1.3739 1.3739 4.9513 4.9513 5.3039 5.3039 5.3743 5.3743 7.1257 7.1257 7.4288 7.4288 7.7499 7.7499 8.1751 8.1751 8.3072 8.3072 12.2207 12.2207 12.6507 12.6507 12.8906 12.8906 13.6360 13.6360 13.8983 13.8983 14.0480 14.0480 k = 0.2143 0.2143 0.4949 ( 5234 PWs) bands (ev): -45.1362 -45.1362 -21.8992 -21.8992 -21.3251 -21.3251 -21.0997 -21.0997 -13.8227 -13.8227 -9.5658 -9.5658 -6.4305 -6.4305 -5.5422 -5.5422 0.0175 0.0175 1.4024 1.4024 4.9445 4.9445 5.2449 5.2449 5.3021 5.3021 7.1109 7.1109 7.5030 7.5030 7.8020 7.8020 8.1575 8.1575 8.2909 8.2909 12.3131 12.3131 12.7353 12.7353 12.9015 12.9015 13.5945 13.5945 13.8942 13.8942 13.9904 13.9904 k = 0.2054 0.2054 0.4949 ( 5234 PWs) bands (ev): -45.1362 -45.1362 -21.8979 -21.8979 -21.3232 -21.3232 -21.0995 -21.0995 -13.8260 -13.8260 -9.5953 -9.5953 -6.4320 -6.4320 -5.5047 -5.5047 0.0382 0.0382 1.4307 1.4307 4.9354 4.9354 5.1899 5.1899 5.2318 5.2318 7.0964 7.0964 7.5777 7.5777 7.8552 7.8552 8.1394 8.1394 8.2747 8.2747 12.4017 12.4017 12.8170 12.8170 12.9116 12.9116 13.5535 13.5535 13.8892 13.8892 13.9351 13.9351 k = 0.1964 0.1964 0.4949 ( 5234 PWs) bands (ev): -45.1363 -45.1363 -21.8966 -21.8966 -21.3214 -21.3214 -21.0993 -21.0993 -13.8293 -13.8293 -9.6242 -9.6242 -6.4335 -6.4335 -5.4678 -5.4678 0.0588 0.0588 1.4590 1.4590 4.9229 4.9229 5.1400 5.1400 5.1638 5.1638 7.0822 7.0822 7.6526 7.6526 7.9091 7.9091 8.1208 8.1208 8.2586 8.2586 12.4862 12.4862 12.8954 12.8954 12.9214 12.9214 13.5131 13.5131 13.8710 13.8710 13.8949 13.8949 k = 0.1875 0.1875 0.4949 ( 5244 PWs) bands (ev): -45.1364 -45.1364 -21.8953 -21.8953 -21.3196 -21.3196 -21.0991 -21.0991 -13.8325 -13.8325 -9.6523 -9.6523 -6.4348 -6.4348 -5.4315 -5.4315 0.0791 0.0791 1.4870 1.4870 4.9053 4.9053 5.0931 5.0931 5.1024 5.1024 7.0683 7.0683 7.7273 7.7273 7.9634 7.9634 8.1017 8.1017 8.2426 8.2426 12.5661 12.5661 12.9290 12.9290 12.9724 12.9724 13.4735 13.4735 13.8228 13.8228 13.8869 13.8869 k = 0.1786 0.1786 0.4949 ( 5244 PWs) bands (ev): -45.1364 -45.1364 -21.8940 -21.8940 -21.3178 -21.3178 -21.0989 -21.0989 -13.8357 -13.8357 -9.6796 -9.6796 -6.4361 -6.4361 -5.3960 -5.3960 0.0991 0.0991 1.5146 1.5146 4.8810 4.8810 5.0324 5.0324 5.0659 5.0659 7.0547 7.0547 7.8014 7.8014 8.0179 8.0179 8.0824 8.0824 8.2268 8.2268 12.6409 12.6409 12.9372 12.9372 13.0451 13.0451 13.4347 13.4347 13.7737 13.7737 13.8829 13.8829 k = 0.1696 0.1696 0.4949 ( 5244 PWs) bands (ev): -45.1365 -45.1365 -21.8928 -21.8928 -21.3161 -21.3161 -21.0987 -21.0987 -13.8387 -13.8387 -9.7060 -9.7060 -6.4374 -6.4374 -5.3612 -5.3612 0.1187 0.1187 1.5418 1.5418 4.8499 4.8499 4.9714 4.9714 5.0413 5.0413 7.0414 7.0414 7.8748 7.8748 8.0622 8.0622 8.0729 8.0729 8.2114 8.2114 12.7099 12.7099 12.9447 12.9447 13.1149 13.1149 13.3971 13.3971 13.7276 13.7276 13.8794 13.8794 k = 0.1607 0.1607 0.4949 ( 5244 PWs) bands (ev): -45.1365 -45.1365 -21.8916 -21.8916 -21.3144 -21.3144 -21.0986 -21.0986 -13.8417 -13.8417 -9.7314 -9.7314 -6.4386 -6.4386 -5.3275 -5.3275 0.1378 0.1378 1.5685 1.5685 4.8136 4.8136 4.9129 4.9129 5.0245 5.0245 7.0286 7.0286 7.9469 7.9469 8.0431 8.0431 8.1264 8.1264 8.1963 8.1963 12.7721 12.7721 12.9517 12.9517 13.1816 13.1816 13.3606 13.3606 13.6860 13.6860 13.8761 13.8761 k = 0.1518 0.1518 0.4949 ( 5248 PWs) bands (ev): -45.1366 -45.1366 -21.8905 -21.8905 -21.3128 -21.3128 -21.0984 -21.0984 -13.8445 -13.8445 -9.7558 -9.7558 -6.4397 -6.4397 -5.2948 -5.2948 0.1564 0.1564 1.5946 1.5946 4.7745 4.7745 4.8569 4.8569 5.0130 5.0130 7.0162 7.0162 8.0173 8.0173 8.0240 8.0240 8.1761 8.1761 8.1852 8.1852 12.8267 12.8267 12.9581 12.9581 13.2451 13.2451 13.3254 13.3254 13.6500 13.6500 13.8728 13.8728 k = 0.1429 0.1429 0.4949 ( 5240 PWs) bands (ev): -45.1367 -45.1367 -21.8893 -21.8893 -21.3112 -21.3112 -21.0982 -21.0982 -13.8472 -13.8472 -9.7792 -9.7792 -6.4407 -6.4407 -5.2632 -5.2632 0.1743 0.1743 1.6198 1.6198 4.7345 4.7345 4.8038 4.8038 5.0050 5.0050 7.0042 7.0042 8.0043 8.0043 8.0866 8.0866 8.1666 8.1666 8.2329 8.2329 12.8722 12.8722 12.9643 12.9643 13.2916 13.2916 13.3055 13.3055 13.6209 13.6209 13.8696 13.8696 k = 0.1339 0.1339 0.4949 ( 5244 PWs) bands (ev): -45.1367 -45.1367 -21.8883 -21.8883 -21.3097 -21.3097 -21.0980 -21.0980 -13.8498 -13.8498 -9.8014 -9.8014 -6.4417 -6.4417 -5.2330 -5.2330 0.1916 0.1916 1.6443 1.6443 4.6948 4.6948 4.7535 4.7535 4.9992 4.9992 6.9927 6.9927 7.9855 7.9855 8.1478 8.1478 8.1584 8.1584 8.2841 8.2841 12.9075 12.9075 12.9702 12.9702 13.2596 13.2596 13.3623 13.3623 13.5999 13.5999 13.8664 13.8664 k = 0.1250 0.1250 0.4949 ( 5236 PWs) bands (ev): -45.1368 -45.1368 -21.8873 -21.8873 -21.3083 -21.3083 -21.0979 -21.0979 -13.8523 -13.8523 -9.8224 -9.8224 -6.4426 -6.4426 -5.2041 -5.2041 0.2082 0.2082 1.6677 1.6677 4.6563 4.6563 4.7062 4.7062 4.9949 4.9949 6.9817 6.9817 7.9670 7.9670 8.1386 8.1386 8.2187 8.2187 8.3339 8.3339 12.9318 12.9318 12.9759 12.9759 13.2292 13.2292 13.4159 13.4159 13.5879 13.5879 13.8632 13.8632 k = 0.1161 0.1161 0.4949 ( 5240 PWs) bands (ev): -45.1368 -45.1368 -21.8863 -21.8863 -21.3069 -21.3069 -21.0977 -21.0977 -13.8546 -13.8546 -9.8422 -9.8422 -6.4435 -6.4435 -5.1768 -5.1768 0.2239 0.2239 1.6901 1.6901 4.6195 4.6195 4.6619 4.6619 4.9916 4.9916 6.9713 6.9713 7.9493 7.9493 8.1258 8.1258 8.2804 8.2804 8.3821 8.3821 12.9456 12.9456 12.9808 12.9808 13.2007 13.2007 13.4660 13.4660 13.5852 13.5852 13.8600 13.8600 k = 0.1071 0.1071 0.4949 ( 5252 PWs) bands (ev): -45.1369 -45.1369 -21.8854 -21.8854 -21.3056 -21.3056 -21.0976 -21.0976 -13.8568 -13.8568 -9.8608 -9.8608 -6.4442 -6.4442 -5.1510 -5.1510 0.2387 0.2387 1.7114 1.7114 4.5846 4.5846 4.6207 4.6207 4.9890 4.9890 6.9614 6.9614 7.9322 7.9322 8.1136 8.1136 8.3390 8.3390 8.4283 8.4283 12.9507 12.9507 12.9840 12.9840 13.1741 13.1741 13.5125 13.5125 13.5911 13.5911 13.8568 13.8568 k = 0.0982 0.0982 0.4949 ( 5252 PWs) bands (ev): -45.1369 -45.1369 -21.8846 -21.8846 -21.3044 -21.3044 -21.0974 -21.0974 -13.8588 -13.8588 -9.8780 -9.8780 -6.4450 -6.4450 -5.1269 -5.1269 0.2526 0.2526 1.7313 1.7313 4.5520 4.5520 4.5827 4.5827 4.9869 4.9869 6.9522 6.9522 7.9161 7.9161 8.1020 8.1020 8.3943 8.3943 8.4723 8.4723 12.9484 12.9484 12.9858 12.9858 13.1496 13.1496 13.5554 13.5554 13.6042 13.6042 13.8535 13.8535 k = 0.0893 0.0893 0.4949 ( 5252 PWs) bands (ev): -45.1369 -45.1369 -21.8838 -21.8838 -21.3033 -21.3033 -21.0973 -21.0973 -13.8607 -13.8607 -9.8938 -9.8938 -6.4456 -6.4456 -5.1046 -5.1046 0.2655 0.2655 1.7499 1.7499 4.5218 4.5218 4.5480 4.5480 4.9853 4.9853 6.9436 6.9436 7.9009 7.9009 8.0912 8.0912 8.4458 8.4458 8.5138 8.5138 12.9399 12.9399 12.9870 12.9870 13.1274 13.1274 13.5943 13.5943 13.6226 13.6226 13.8502 13.8502 k = 0.0804 0.0804 0.4949 ( 5254 PWs) bands (ev): -45.1370 -45.1370 -21.8831 -21.8831 -21.3023 -21.3023 -21.0972 -21.0972 -13.8624 -13.8624 -9.9082 -9.9082 -6.4462 -6.4462 -5.0841 -5.0841 0.2774 0.2774 1.7670 1.7670 4.4941 4.4941 4.5165 4.5165 4.9840 4.9840 6.9357 6.9357 7.8869 7.8869 8.0812 8.0812 8.4933 8.4933 8.5527 8.5527 12.9271 12.9271 12.9879 12.9879 13.1074 13.1074 13.6286 13.6286 13.6451 13.6451 13.8468 13.8468 k = 0.0714 0.0714 0.4949 ( 5254 PWs) bands (ev): -45.1370 -45.1370 -21.8824 -21.8824 -21.3014 -21.3014 -21.0971 -21.0971 -13.8639 -13.8639 -9.9213 -9.9213 -6.4467 -6.4467 -5.0655 -5.0655 0.2881 0.2881 1.7826 1.7826 4.4689 4.4689 4.4883 4.4883 4.9829 4.9829 6.9285 6.9285 7.8740 7.8740 8.0720 8.0720 8.5363 8.5363 8.5886 8.5886 12.9118 12.9118 12.9884 12.9884 13.0899 13.0899 13.6574 13.6574 13.6709 13.6709 13.8434 13.8434 k = 0.0625 0.0625 0.4949 ( 5254 PWs) bands (ev): -45.1370 -45.1370 -21.8819 -21.8819 -21.3006 -21.3006 -21.0970 -21.0970 -13.8653 -13.8653 -9.9328 -9.9328 -6.4471 -6.4471 -5.0490 -5.0490 0.2977 0.2977 1.7966 1.7966 4.4464 4.4464 4.4636 4.4636 4.9821 4.9821 6.9220 6.9220 7.8625 7.8625 8.0638 8.0638 8.5745 8.5745 8.6214 8.6214 12.8956 12.8956 12.9882 12.9882 13.0751 13.0751 13.6820 13.6820 13.6974 13.6974 13.8398 13.8398 k = 0.0536 0.0536 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8814 -21.8814 -21.2999 -21.2999 -21.0969 -21.0969 -13.8665 -13.8665 -9.9429 -9.9429 -6.4475 -6.4475 -5.0345 -5.0345 0.3062 0.3062 1.8089 1.8089 4.4266 4.4266 4.4422 4.4422 4.9814 4.9814 6.9163 6.9163 7.8523 7.8523 8.0566 8.0566 8.6078 8.6078 8.6509 8.6509 12.8797 12.8797 12.9873 12.9873 13.0629 13.0629 13.7043 13.7043 13.7216 13.7216 13.8361 13.8361 k = 0.0446 0.0446 0.4949 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8809 -21.8809 -21.2992 -21.2992 -21.0969 -21.0969 -13.8675 -13.8675 -9.9514 -9.9514 -6.4479 -6.4479 -5.0222 -5.0222 0.3133 0.3133 1.8194 1.8194 4.4096 4.4096 4.4243 4.4243 4.9809 4.9809 6.9115 6.9115 7.8436 7.8436 8.0504 8.0504 8.6360 8.6360 8.6766 8.6766 12.8650 12.8650 12.9856 12.9856 13.0536 13.0536 13.7244 13.7244 13.7426 13.7426 13.8321 13.8321 k = 0.0357 0.0357 0.4949 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8806 -21.8806 -21.2987 -21.2987 -21.0968 -21.0968 -13.8683 -13.8683 -9.9584 -9.9584 -6.4481 -6.4481 -5.0120 -5.0120 0.3193 0.3193 1.8280 1.8280 4.3956 4.3956 4.4097 4.4097 4.9804 4.9804 6.9075 6.9075 7.8364 7.8364 8.0452 8.0452 8.6590 8.6590 8.6983 8.6983 12.8522 12.8522 12.9834 12.9834 13.0467 13.0467 13.7423 13.7423 13.7602 13.7602 13.8278 13.8278 k = 0.0268 0.0268 0.4949 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8803 -21.8803 -21.2984 -21.2984 -21.0968 -21.0968 -13.8690 -13.8690 -9.9639 -9.9639 -6.4483 -6.4483 -5.0041 -5.0041 0.3239 0.3239 1.8348 1.8348 4.3845 4.3845 4.3984 4.3984 4.9801 4.9801 6.9043 6.9043 7.8307 7.8307 8.0412 8.0412 8.6768 8.6768 8.7156 8.7156 12.8418 12.8418 12.9809 12.9809 13.0421 13.0421 13.7576 13.7576 13.7741 13.7741 13.8230 13.8230 k = 0.0179 0.0179 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8801 -21.8801 -21.2981 -21.2981 -21.0967 -21.0967 -13.8695 -13.8695 -9.9678 -9.9678 -6.4485 -6.4485 -4.9984 -4.9984 0.3272 0.3272 1.8397 1.8397 4.3766 4.3766 4.3903 4.3903 4.9799 4.9799 6.9021 6.9021 7.8266 7.8266 8.0383 8.0383 8.6895 8.6895 8.7282 8.7282 12.8342 12.8342 12.9788 12.9788 13.0392 13.0392 13.7699 13.7699 13.7848 13.7848 13.8179 13.8179 k = 0.0089 0.0089 0.4949 ( 5250 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8697 -13.8697 -9.9702 -9.9702 -6.4486 -6.4486 -4.9949 -4.9949 0.3292 0.3292 1.8426 1.8426 4.3718 4.3718 4.3855 4.3855 4.9798 4.9798 6.9007 6.9007 7.8242 7.8242 8.0365 8.0365 8.6971 8.6971 8.7358 8.7358 12.8295 12.8295 12.9773 12.9773 13.0376 13.0376 13.7782 13.7782 13.7924 13.7924 13.8127 13.8127 k = 0.0000 0.0000 0.4949 ( 5246 PWs) bands (ev): -45.1371 -45.1371 -21.8800 -21.8800 -21.2979 -21.2979 -21.0967 -21.0967 -13.8698 -13.8698 -9.9710 -9.9710 -6.4486 -6.4486 -4.9938 -4.9938 0.3299 0.3299 1.8436 1.8436 4.3701 4.3701 4.3839 4.3839 4.9798 4.9798 6.9003 6.9003 7.8233 7.8233 8.0360 8.0360 8.6997 8.6997 8.7384 8.7384 12.8279 12.8279 12.9768 12.9768 13.0371 13.0371 13.7812 13.7812 13.7959 13.7959 13.8097 13.8097 k = 0.0000 0.5000-0.0000 ( 5254 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0910 -21.0910 -14.3882 -14.3882 -7.1335 -7.1335 -7.0911 -7.0911 -4.6097 -4.6097 -2.0143 -2.0143 0.3007 0.3007 1.1897 1.1897 5.7372 5.7372 5.9943 5.9943 7.8320 7.8320 8.0783 8.0783 8.1150 8.1150 9.2082 9.2082 9.8316 9.8316 12.2142 12.2142 13.1624 13.1624 13.2627 13.2627 14.0688 14.0688 14.6048 14.6048 14.6541 14.6541 k = 0.0000 0.5000 0.0127 ( 5250 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0910 -21.0910 -14.3874 -14.3874 -7.1377 -7.1377 -7.0908 -7.0908 -4.6138 -4.6138 -2.0041 -2.0041 0.3017 0.3017 1.1897 1.1897 5.7351 5.7351 5.9935 5.9935 7.8336 7.8336 8.0770 8.0770 8.1152 8.1152 9.2083 9.2083 9.8317 9.8317 12.2154 12.2154 13.1609 13.1609 13.2627 13.2627 14.0602 14.0602 14.6046 14.6046 14.6532 14.6532 k = 0.0000 0.5000 0.0254 ( 5258 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0911 -21.0911 -14.3852 -14.3852 -7.1501 -7.1501 -7.0901 -7.0901 -4.6258 -4.6258 -1.9740 -1.9740 0.3048 0.3048 1.1898 1.1898 5.7289 5.7289 5.9913 5.9913 7.8382 7.8382 8.0731 8.0731 8.1157 8.1157 9.2086 9.2086 9.8319 9.8319 12.2189 12.2189 13.1564 13.1564 13.2625 13.2625 14.0347 14.0347 14.6040 14.6040 14.6506 14.6506 k = 0.0000 0.5000 0.0381 ( 5266 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0912 -21.0912 -14.3814 -14.3814 -7.1705 -7.1705 -7.0889 -7.0889 -4.6448 -4.6448 -1.9250 -1.9250 0.3100 0.3100 1.1900 1.1900 5.7185 5.7185 5.9877 5.9877 7.8459 7.8459 8.0665 8.0665 8.1165 8.1165 9.2090 9.2090 9.8323 9.8323 12.2248 12.2248 13.1490 13.1490 13.2622 13.2622 13.9922 13.9922 14.6030 14.6030 14.6465 14.6465 k = 0.0000 0.5000 0.0508 ( 5270 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3344 -21.3344 -21.0912 -21.0912 -14.3761 -14.3761 -7.1989 -7.1989 -7.0874 -7.0874 -4.6697 -4.6697 -1.8586 -1.8586 0.3175 0.3175 1.1903 1.1903 5.7040 5.7040 5.9827 5.9827 7.8565 7.8565 8.0575 8.0575 8.1176 8.1176 9.2096 9.2096 9.8328 9.8328 12.2331 12.2331 13.1387 13.1387 13.2619 13.2619 13.9331 13.9331 14.6015 14.6015 14.6415 14.6415 k = 0.0000 0.5000 0.0635 ( 5238 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3343 -21.3343 -21.0914 -21.0914 -14.3693 -14.3693 -7.2348 -7.2348 -7.0855 -7.0855 -4.6991 -4.6991 -1.7768 -1.7768 0.3275 0.3275 1.1908 1.1908 5.6854 5.6854 5.9766 5.9766 7.8699 7.8699 8.0460 8.0460 8.1191 8.1191 9.2104 9.2104 9.8334 9.8334 12.2437 12.2437 13.1258 13.1258 13.2614 13.2614 13.8578 13.8578 14.5996 14.5996 14.6358 14.6358 k = 0.0000 0.5000 0.0761 ( 5236 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3343 -21.3343 -21.0915 -21.0915 -14.3611 -14.3611 -7.2781 -7.2781 -7.0833 -7.0833 -4.7316 -4.7316 -1.6815 -1.6815 0.3404 0.3404 1.1915 1.1915 5.6628 5.6628 5.9694 5.9694 7.8860 7.8860 8.0323 8.0323 8.1208 8.1208 9.2114 9.2114 9.8339 9.8339 12.2568 12.2568 13.1102 13.1102 13.2609 13.2609 13.7669 13.7669 14.5971 14.5971 14.6300 14.6300 k = 0.0000 0.5000 0.0888 ( 5228 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3343 -21.3343 -21.0917 -21.0917 -14.3515 -14.3515 -7.3283 -7.3283 -7.0807 -7.0807 -4.7659 -4.7659 -1.5751 -1.5751 0.3566 0.3566 1.1927 1.1927 5.6363 5.6363 5.9614 5.9614 7.9046 7.9046 8.0166 8.0166 8.1229 8.1229 9.2124 9.2124 9.8342 9.8342 12.2722 12.2722 13.0922 13.0922 13.2603 13.2603 13.6611 13.6611 14.5940 14.5940 14.6242 14.6242 k = 0.0000 0.5000 0.1015 ( 5228 PWs) bands (ev): -45.1363 -45.1363 -21.9068 -21.9068 -21.3342 -21.3342 -21.0919 -21.0919 -14.3404 -14.3404 -7.3850 -7.3850 -7.0778 -7.0778 -4.8007 -4.8007 -1.4599 -1.4599 0.3768 0.3768 1.1943 1.1943 5.6060 5.6060 5.9527 5.9527 7.9251 7.9251 7.9992 7.9992 8.1252 8.1252 9.2137 9.2137 9.8342 9.8342 12.2899 12.2899 13.0721 13.0721 13.2597 13.2597 13.5413 13.5413 14.5902 14.5902 14.6187 14.6187 k = 0.0000 0.5000 0.1142 ( 5224 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3342 -21.3342 -21.0921 -21.0921 -14.3280 -14.3280 -7.4477 -7.4477 -7.0745 -7.0745 -4.8352 -4.8352 -1.3383 -1.3383 0.4017 0.4017 1.1966 1.1966 5.5722 5.5722 5.9435 5.9435 7.9457 7.9457 7.9823 7.9823 8.1278 8.1278 9.2150 9.2150 9.8338 9.8338 12.3098 12.3098 13.0499 13.0499 13.2589 13.2589 13.4086 13.4086 14.5857 14.5857 14.6138 14.6138 k = 0.0000 0.5000 0.1269 ( 5228 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3341 -21.3341 -21.0923 -21.0923 -14.3143 -14.3143 -7.5157 -7.5157 -7.0709 -7.0709 -4.8687 -4.8687 -1.2128 -1.2128 0.4326 0.4326 1.1997 1.1997 5.5349 5.5349 5.9338 5.9338 7.9488 7.9488 7.9833 7.9833 8.1307 8.1307 9.2165 9.2165 9.8329 9.8329 12.3316 12.3316 13.0259 13.0259 13.2556 13.2556 13.2667 13.2667 14.5805 14.5805 14.6095 14.6095 k = 0.0000 0.5000 0.1396 ( 5232 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3341 -21.3341 -21.0925 -21.0925 -14.2994 -14.2994 -7.5885 -7.5885 -7.0671 -7.0671 -4.9006 -4.9006 -1.0860 -1.0860 0.4708 0.4708 1.2037 1.2037 5.4945 5.4945 5.9239 5.9239 7.9292 7.9292 8.0073 8.0073 8.1338 8.1338 9.2181 9.2181 9.8313 9.8313 12.3546 12.3546 13.0003 13.0003 13.1092 13.1092 13.2578 13.2578 14.5747 14.5747 14.6058 14.6058 k = 0.0000 0.5000 0.1523 ( 5234 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3340 -21.3340 -21.0928 -21.0928 -14.2832 -14.2832 -7.6654 -7.6654 -7.0629 -7.0629 -4.9306 -4.9306 -0.9609 -0.9609 0.5180 0.5180 1.2089 1.2089 5.4511 5.4511 5.9138 5.9138 7.9054 7.9054 8.0360 8.0360 8.1371 8.1371 9.2198 9.2198 9.8289 9.8289 12.3771 12.3771 12.9470 12.9470 12.9738 12.9738 13.2570 13.2570 14.5684 14.5684 14.6025 14.6025 k = 0.0000 0.5000 0.1650 ( 5240 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3339 -21.3339 -21.0931 -21.0931 -14.2659 -14.2659 -7.7458 -7.7458 -7.0586 -7.0586 -4.9586 -4.9586 -0.8405 -0.8405 0.5763 0.5763 1.2155 1.2155 5.4051 5.4051 5.9036 5.9036 7.8800 7.8800 8.0669 8.0669 8.1407 8.1407 9.2216 9.2216 9.8255 9.8255 12.3932 12.3932 12.7846 12.7846 12.9455 12.9455 13.2563 13.2563 14.5618 14.5618 14.5995 14.5995 k = 0.0000 0.5000 0.1777 ( 5240 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3339 -21.3339 -21.0934 -21.0934 -14.2475 -14.2475 -7.8289 -7.8289 -7.0540 -7.0540 -4.9844 -4.9844 -0.7279 -0.7279 0.6477 0.6477 1.2240 1.2240 5.3567 5.3567 5.8934 5.8934 7.8533 7.8533 8.0995 8.0995 8.1444 8.1444 9.2235 9.2235 9.8210 9.8210 12.3798 12.3798 12.6453 12.6453 12.9167 12.9167 13.2556 13.2556 14.5550 14.5550 14.5969 14.5969 k = 0.0000 0.5000 0.1904 ( 5244 PWs) bands (ev): -45.1362 -45.1362 -21.9068 -21.9068 -21.3338 -21.3338 -21.0937 -21.0937 -14.2281 -14.2281 -7.9142 -7.9142 -7.0492 -7.0492 -5.0080 -5.0080 -0.6258 -0.6258 0.7336 0.7336 1.2348 1.2348 5.3063 5.3063 5.8834 5.8834 7.8258 7.8258 8.1332 8.1332 8.1487 8.1487 9.2255 9.2255 9.8153 9.8153 12.2813 12.2813 12.5860 12.5860 12.8872 12.8872 13.2550 13.2550 14.5480 14.5480 14.5944 14.5944 k = 0.0000 0.5000 0.2030 ( 5256 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3337 -21.3337 -21.0940 -21.0940 -14.2079 -14.2079 -8.0009 -8.0009 -7.0442 -7.0442 -5.0296 -5.0296 -0.5362 -0.5362 0.8343 0.8343 1.2494 1.2494 5.2541 5.2541 5.8735 5.8735 7.7976 7.7976 8.1517 8.1517 8.1694 8.1694 9.2275 9.2275 9.8082 9.8082 12.1096 12.1096 12.5951 12.5951 12.8572 12.8572 13.2544 13.2544 14.5410 14.5410 14.5922 14.5922 k = 0.0000 0.5000 0.2157 ( 5256 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3336 -21.3336 -21.0943 -21.0943 -14.1868 -14.1868 -8.0886 -8.0886 -7.0392 -7.0392 -5.0491 -5.0491 -0.4601 -0.4601 0.9472 0.9472 1.2706 1.2706 5.2004 5.2004 5.8638 5.8638 7.7690 7.7690 8.1562 8.1562 8.2055 8.2055 9.2295 9.2295 9.7996 9.7996 11.9110 11.9110 12.6276 12.6276 12.8272 12.8272 13.2538 13.2538 14.5340 14.5340 14.5901 14.5901 k = 0.0000 0.5000 0.2284 ( 5252 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3336 -21.3336 -21.0947 -21.0947 -14.1650 -14.1650 -8.1766 -8.1766 -7.0340 -7.0340 -5.0668 -5.0668 -0.3973 -0.3973 1.0629 1.0629 1.3074 1.3074 5.1456 5.1456 5.8545 5.8545 7.7401 7.7401 8.1604 8.1604 8.2428 8.2428 9.2316 9.2316 9.7895 9.7895 11.7000 11.7000 12.6692 12.6692 12.7974 12.7974 13.2533 13.2533 14.5270 14.5270 14.5882 14.5882 k = 0.0000 0.5000 0.2411 ( 5258 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3335 -21.3335 -21.0950 -21.0950 -14.1426 -14.1426 -8.2643 -8.2643 -7.0287 -7.0287 -5.0827 -5.0827 -0.3465 -0.3465 1.1578 1.1578 1.3816 1.3816 5.0901 5.0901 5.8454 5.8454 7.7111 7.7111 8.1648 8.1648 8.2810 8.2810 9.2337 9.2337 9.7777 9.7777 11.4812 11.4812 12.7149 12.7149 12.7691 12.7691 13.2528 13.2528 14.5201 14.5201 14.5864 14.5864 k = 0.0000 0.5000 0.2538 ( 5268 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3334 -21.3334 -21.0953 -21.0953 -14.1198 -14.1198 -8.3512 -8.3512 -7.0235 -7.0235 -5.0969 -5.0969 -0.3063 -0.3063 1.2138 1.2138 1.5094 1.5094 5.0340 5.0340 5.8367 5.8367 7.6820 7.6820 8.1691 8.1691 8.3199 8.3199 9.2358 9.2358 9.7642 9.7642 11.2566 11.2566 12.7319 12.7319 12.7740 12.7740 13.2523 13.2523 14.5133 14.5133 14.5847 14.5847 k = 0.0000 0.5000 0.2665 ( 5254 PWs) bands (ev): -45.1361 -45.1361 -21.9068 -21.9068 -21.3333 -21.3333 -21.0956 -21.0956 -14.0966 -14.0966 -8.4369 -8.4369 -7.0182 -7.0182 -5.1097 -5.1097 -0.2749 -0.2749 1.2466 1.2466 1.6731 1.6731 4.9778 4.9778 5.8285 5.8285 7.6532 7.6532 8.1735 8.1735 8.3593 8.3593 9.2379 9.2379 9.7489 9.7489 11.0275 11.0275 12.7055 12.7055 12.8263 12.8263 13.2520 13.2520 14.5066 14.5066 14.5832 14.5832 k = 0.0000 0.5000 0.2792 ( 5254 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3333 -21.3333 -21.0960 -21.0960 -14.0733 -14.0733 -8.5209 -8.5209 -7.0130 -7.0130 -5.1212 -5.1212 -0.2507 -0.2507 1.2709 1.2709 1.8560 1.8560 4.9219 4.9219 5.8206 5.8206 7.6246 7.6246 8.1778 8.1778 8.3992 8.3992 9.2400 9.2400 9.7317 9.7317 10.7951 10.7951 12.6775 12.6775 12.8840 12.8840 13.2516 13.2516 14.5001 14.5001 14.5818 14.5818 k = 0.0000 0.5000 0.2919 ( 5252 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3332 -21.3332 -21.0963 -21.0963 -14.0499 -14.0499 -8.6027 -8.6027 -7.0078 -7.0078 -5.1314 -5.1314 -0.2323 -0.2323 1.2921 1.2921 2.0507 2.0507 4.8664 4.8664 5.8132 5.8132 7.5962 7.5962 8.1821 8.1821 8.4393 8.4393 9.2420 9.2420 9.7124 9.7124 10.5604 10.5604 12.6499 12.6499 12.9446 12.9446 13.2513 13.2513 14.4937 14.4937 14.5805 14.5805 k = 0.0000 0.5000 0.3046 ( 5260 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3331 -21.3331 -21.0966 -21.0966 -14.0265 -14.0265 -8.6820 -8.6820 -7.0027 -7.0027 -5.1405 -5.1405 -0.2185 -0.2185 1.3121 1.3121 2.2537 2.2537 4.8119 4.8119 5.8063 5.8063 7.5682 7.5682 8.1863 8.1863 8.4796 8.4796 9.2440 9.2440 9.6907 9.6907 10.3246 10.3246 12.6232 12.6232 13.0076 13.0076 13.2511 13.2511 14.4876 14.4876 14.5793 14.5793 k = 0.0000 0.5000 0.3173 ( 5248 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3330 -21.3330 -21.0969 -21.0969 -14.0035 -14.0035 -8.7582 -8.7582 -6.9978 -6.9978 -5.1486 -5.1486 -0.2084 -0.2084 1.3317 1.3317 2.4630 2.4630 4.7587 4.7587 5.7998 5.7998 7.5406 7.5406 8.1904 8.1904 8.5199 8.5199 9.2459 9.2459 9.6655 9.6655 10.0898 10.0898 12.5976 12.5976 13.0726 13.0726 13.2509 13.2509 14.4817 14.4817 14.5782 14.5782 k = 0.0000 0.5000 0.3299 ( 5246 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3330 -21.3330 -21.0972 -21.0972 -13.9810 -13.9810 -8.8311 -8.8311 -6.9930 -6.9930 -5.1557 -5.1557 -0.2013 -0.2013 1.3509 1.3509 2.6770 2.6770 4.7070 4.7070 5.7938 5.7938 7.5132 7.5132 8.1944 8.1944 8.5597 8.5597 9.2476 9.2476 9.6316 9.6316 9.8626 9.8626 12.5732 12.5732 13.1392 13.1392 13.2507 13.2507 14.4761 14.4761 14.5772 14.5772 k = 0.0000 0.5000 0.3426 ( 5250 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3329 -21.3329 -21.0975 -21.0975 -13.9590 -13.9590 -8.9002 -8.9002 -6.9885 -6.9885 -5.1621 -5.1621 -0.1965 -0.1965 1.3699 1.3699 2.8944 2.8944 4.6574 4.6574 5.7882 5.7882 7.4859 7.4859 8.1982 8.1982 8.5987 8.5987 9.2491 9.2491 9.5471 9.5471 9.6862 9.6862 12.5501 12.5501 13.2069 13.2069 13.2506 13.2506 14.4708 14.4708 14.5763 14.5763 k = 0.0000 0.5000 0.3553 ( 5258 PWs) bands (ev): -45.1360 -45.1360 -21.9068 -21.9068 -21.3328 -21.3328 -21.0977 -21.0977 -13.9379 -13.9379 -8.9653 -8.9653 -6.9842 -6.9842 -5.1676 -5.1676 -0.1935 -0.1935 1.3886 1.3886 3.1139 3.1139 4.6102 4.6102 5.7831 5.7831 7.4583 7.4583 8.2018 8.2018 8.6357 8.6357 9.2492 9.2492 9.3535 9.3535 9.6227 9.6227 12.5284 12.5284 13.2504 13.2504 13.2753 13.2753 14.4659 14.4659 14.5755 14.5755 k = 0.0000 0.5000 0.3680 ( 5274 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3328 -21.3328 -21.0980 -21.0980 -13.9178 -13.9178 -9.0259 -9.0259 -6.9801 -6.9801 -5.1725 -5.1725 -0.1919 -0.1919 1.4067 1.4067 3.3344 3.3344 4.5658 4.5658 5.7785 5.7785 7.4299 7.4299 8.2052 8.2052 8.6677 8.6677 9.1321 9.1321 9.2552 9.2552 9.5881 9.5881 12.5083 12.5083 13.2503 13.2503 13.3435 13.3435 14.4612 14.4612 14.5748 14.5748 k = 0.0000 0.5000 0.3807 ( 5270 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3327 -21.3327 -21.0982 -21.0982 -13.8988 -13.8988 -9.0819 -9.0819 -6.9764 -6.9764 -5.1767 -5.1767 -0.1913 -0.1913 1.4241 1.4241 3.5544 3.5544 4.5247 4.5247 5.7743 5.7743 7.4000 7.4000 8.2083 8.2083 8.6805 8.6805 8.9356 8.9356 9.2554 9.2554 9.5575 9.5575 12.4898 12.4898 13.2503 13.2503 13.4109 13.4109 14.4570 14.4570 14.5741 14.5741 k = 0.0000 0.5000 0.3934 ( 5270 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3327 -21.3327 -21.0984 -21.0984 -13.8813 -13.8813 -9.1328 -9.1328 -6.9729 -6.9729 -5.1804 -5.1804 -0.1915 -0.1915 1.4405 1.4405 3.7720 3.7720 4.4878 4.4878 5.7706 5.7706 7.3672 7.3672 8.2112 8.2112 8.6042 8.6042 8.8332 8.8332 9.2564 9.2564 9.5278 9.5278 12.4731 12.4731 13.2502 13.2502 13.4766 13.4766 14.4531 14.4531 14.5736 14.5736 k = 0.0000 0.5000 0.4061 ( 5262 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3326 -21.3326 -21.0986 -21.0986 -13.8653 -13.8653 -9.1785 -9.1785 -6.9699 -6.9699 -5.1835 -5.1835 -0.1921 -0.1921 1.4558 1.4558 3.9842 3.9842 4.4565 4.4565 5.7674 5.7674 7.3296 7.3296 8.2138 8.2138 8.4322 8.4322 8.8366 8.8366 9.2575 9.2575 9.4985 9.4985 12.4581 12.4581 13.2502 13.2502 13.5396 13.5396 14.4497 14.4497 14.5731 14.5731 k = 0.0000 0.5000 0.4188 ( 5266 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3326 -21.3326 -21.0988 -21.0988 -13.8511 -13.8511 -9.2186 -9.2186 -6.9671 -6.9671 -5.1862 -5.1862 -0.1931 -0.1931 1.4696 1.4696 4.1830 4.1830 4.4364 4.4364 5.7646 5.7646 7.2845 7.2845 8.2162 8.2162 8.2526 8.2526 8.8631 8.8631 9.2585 9.2585 9.4698 9.4698 12.4451 12.4451 13.2502 13.2502 13.5987 13.5987 14.4466 14.4466 14.5727 14.5727 k = 0.0000 0.5000 0.4315 ( 5258 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3326 -21.3326 -21.0989 -21.0989 -13.8387 -13.8387 -9.2529 -9.2529 -6.9648 -6.9648 -5.1883 -5.1883 -0.1941 -0.1941 1.4817 1.4817 4.3238 4.3238 4.4690 4.4690 5.7622 5.7622 7.2287 7.2287 8.0910 8.0910 8.2181 8.2181 8.8931 8.8931 9.2594 9.2594 9.4421 9.4421 12.4339 12.4339 13.2502 13.2502 13.6525 13.6525 14.4440 14.4440 14.5723 14.5723 k = 0.0000 0.5000 0.4442 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0990 -21.0990 -13.8284 -13.8284 -9.2813 -9.2813 -6.9628 -6.9628 -5.1901 -5.1901 -0.1952 -0.1952 1.4920 1.4920 4.3435 4.3435 4.6127 4.6127 5.7603 5.7603 7.1608 7.1608 7.9581 7.9581 8.2198 8.2198 8.9221 8.9221 9.2601 9.2601 9.4162 9.4162 12.4247 12.4247 13.2502 13.2502 13.6996 13.6996 14.4419 14.4419 14.5721 14.5721 k = 0.0000 0.5000 0.4568 ( 5264 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0991 -21.0991 -13.8202 -13.8202 -9.3036 -9.3036 -6.9613 -6.9613 -5.1914 -5.1914 -0.1961 -0.1961 1.5002 1.5002 4.3342 4.3342 4.7679 4.7679 5.7588 5.7588 7.0841 7.0841 7.8587 7.8587 8.2211 8.2211 8.9479 8.9479 9.2607 9.2607 9.3933 9.3933 12.4175 12.4175 13.2502 13.2502 13.7384 13.7384 14.4403 14.4403 14.5719 14.5719 k = 0.0000 0.5000 0.4695 ( 5264 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0992 -21.0992 -13.8143 -13.8143 -9.3196 -9.3196 -6.9602 -6.9602 -5.1924 -5.1924 -0.1968 -0.1968 1.5062 1.5062 4.3245 4.3245 4.8964 4.8964 5.7577 5.7577 7.0096 7.0096 7.7926 7.7926 8.2220 8.2220 8.9685 8.9685 9.2612 9.2612 9.3750 9.3750 12.4123 12.4123 13.2502 13.2502 13.7675 13.7675 14.4391 14.4391 14.5717 14.5717 k = 0.0000 0.5000 0.4822 ( 5260 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0992 -21.0992 -13.8107 -13.8107 -9.3292 -9.3292 -6.9596 -6.9596 -5.1929 -5.1929 -0.1973 -0.1973 1.5098 1.5098 4.3180 4.3180 4.9820 4.9820 5.7571 5.7571 6.9543 6.9543 7.7557 7.7557 8.2226 8.2226 8.9819 8.9819 9.2614 9.2614 9.3630 9.3630 12.4092 12.4092 13.2502 13.2502 13.7855 13.7855 14.4384 14.4384 14.5716 14.5716 k = 0.0000 0.5000 0.4949 ( 5268 PWs) bands (ev): -45.1359 -45.1359 -21.9068 -21.9068 -21.3325 -21.3325 -21.0993 -21.0993 -13.8096 -13.8096 -9.3324 -9.3324 -6.9593 -6.9593 -5.1931 -5.1931 -0.1974 -0.1974 1.5110 1.5110 4.3158 4.3158 5.0123 5.0123 5.7568 5.7568 6.9336 6.9336 7.7439 7.7439 8.2228 8.2228 8.9866 8.9866 9.2615 9.2615 9.3587 9.3587 12.4082 12.4082 13.2502 13.2502 13.7916 13.7916 14.4381 14.4381 14.5716 14.5716 k = 0.5000 0.5000-0.0000 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0957 -21.0957 -14.3006 -14.3006 -6.5285 -6.5285 -6.5223 -6.5223 -6.0542 -6.0542 -1.8864 -1.8864 0.5043 0.5043 1.4676 1.4676 5.5905 5.5905 6.3311 6.3311 7.3220 7.3220 7.3244 7.3244 8.2071 8.2071 9.3549 9.3549 9.4965 9.4965 9.5669 9.5669 11.0676 11.0676 14.1044 14.1044 14.6111 14.6111 14.6301 14.6301 15.2397 15.2397 k = 0.5000 0.5000 0.0127 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0958 -21.0958 -14.2999 -14.2999 -6.5283 -6.5283 -6.5221 -6.5221 -6.0618 -6.0618 -1.8769 -1.8769 0.5044 0.5044 1.4665 1.4665 5.5908 5.5908 6.3312 6.3312 7.3231 7.3231 7.3258 7.3258 8.2071 8.2071 9.3550 9.3550 9.4962 9.4962 9.5666 9.5666 11.0688 11.0688 14.0958 14.0958 14.6109 14.6109 14.6299 14.6299 15.2397 15.2397 k = 0.5000 0.5000 0.0254 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0958 -21.0958 -14.2976 -14.2976 -6.5277 -6.5277 -6.5215 -6.5215 -6.0842 -6.0842 -1.8489 -1.8489 0.5048 0.5048 1.4632 1.4632 5.5916 5.5916 6.3312 6.3312 7.3263 7.3263 7.3298 7.3298 8.2073 8.2073 9.3552 9.3552 9.4953 9.4953 9.5660 9.5660 11.0725 11.0725 14.0700 14.0700 14.6103 14.6103 14.6293 14.6293 15.2398 15.2398 k = 0.5000 0.5000 0.0381 ( 5240 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0959 -21.0959 -14.2939 -14.2939 -6.5267 -6.5267 -6.5206 -6.5206 -6.1207 -6.1207 -1.8030 -1.8030 0.5056 0.5056 1.4576 1.4576 5.5930 5.5930 6.3313 6.3313 7.3316 7.3316 7.3365 7.3365 8.2076 8.2076 9.3557 9.3557 9.4937 9.4937 9.5648 9.5648 11.0787 11.0787 14.0272 14.0272 14.6092 14.6092 14.6282 14.6282 15.2399 15.2399 k = 0.5000 0.5000 0.0508 ( 5232 PWs) bands (ev): -45.1351 -45.1351 -21.9282 -21.9282 -21.3670 -21.3670 -21.0959 -21.0959 -14.2888 -14.2888 -6.5254 -6.5254 -6.5192 -6.5192 -6.1704 -6.1704 -1.7406 -1.7406 0.5070 0.5070 1.4499 1.4499 5.5950 5.5950 6.3315 6.3315 7.3390 7.3390 7.3458 7.3458 8.2081 8.2081 9.3563 9.3563 9.4914 9.4914 9.5631 9.5631 11.0874 11.0874 13.9678 13.9678 14.6077 14.6077 14.6267 14.6267 15.2400 15.2400 k = 0.5000 0.5000 0.0635 ( 5248 PWs) bands (ev): -45.1350 -45.1350 -21.9282 -21.9282 -21.3670 -21.3670 -21.0961 -21.0961 -14.2822 -14.2822 -6.5239 -6.5239 -6.5175 -6.5175 -6.2317 -6.2317 -1.6633 -1.6633 0.5096 0.5096 1.4401 1.4401 5.5974 5.5974 6.3316 6.3316 7.3484 7.3484 7.3577 7.3577 8.2087 8.2087 9.3571 9.3571 9.4885 9.4885 9.5608 9.5608 11.0985 11.0985 13.8924 13.8924 14.6058 14.6058 14.6247 14.6247 15.2401 15.2401 k = 0.5000 0.5000 0.0761 ( 5248 PWs) bands (ev): -45.1350 -45.1350 -21.9282 -21.9282 -21.3669 -21.3669 -21.0962 -21.0962 -14.2742 -14.2742 -6.5224 -6.5224 -6.5154 -6.5154 -6.3030 -6.3030 -1.5729 -1.5729 0.5136 0.5136 1.4282 1.4282 5.6004 5.6004 6.3319 6.3319 7.3599 7.3599 7.3721 7.3721 8.2093 8.2093 9.3580 9.3580 9.4847 9.4847 9.5580 9.5580 11.1121 11.1121 13.8015 13.8015 14.6036 14.6036 14.6224 14.6224 15.2403 15.2403 k = 0.5000 0.5000 0.0888 ( 5256 PWs) bands (ev): -45.1350 -45.1350 -21.9282 -21.9282 -21.3669 -21.3669 -21.0964 -21.0964 -14.2648 -14.2648 -6.5218 -6.5218 -6.5130 -6.5130 -6.3820 -6.3820 -1.4716 -1.4716 0.5199 0.5199 1.4145 1.4145 5.6039 5.6039 6.3321 6.3321 7.3734 7.3734 7.3891 7.3891 8.2101 8.2101 9.3591 9.3591 9.4802 9.4802 9.5544 9.5544 11.1282 11.1282 13.6958 13.6958 14.6009 14.6009 14.6196 14.6196 15.2405 15.2405 k = 0.5000 0.5000 0.1015 ( 5256 PWs) bands (ev): -45.1350 -45.1350 -21.9282 -21.9282 -21.3669 -21.3669 -21.0966 -21.0966 -14.2540 -14.2540 -6.5282 -6.5282 -6.5103 -6.5103 -6.4611 -6.4611 -1.3616 -1.3616 0.5294 0.5294 1.3989 1.3989 5.6079 5.6079 6.3324 6.3324 7.3889 7.3889 7.4084 7.4084 8.2111 8.2111 9.3604 9.3604 9.4747 9.4747 9.5501 9.5501 11.1467 11.1467 13.5762 13.5762 14.5979 14.5979 14.6165 14.6165 15.2407 15.2407 k = 0.5000 0.5000 0.1142 ( 5256 PWs) bands (ev): -45.1350 -45.1350 -21.9282 -21.9282 -21.3668 -21.3668 -21.0968 -21.0968 -14.2419 -14.2419 -6.5825 -6.5825 -6.5072 -6.5072 -6.4980 -6.4980 -1.2455 -1.2455 0.5432 0.5432 1.3817 1.3817 5.6123 5.6123 6.3327 6.3327 7.4063 7.4063 7.4300 7.4300 8.2121 8.2121 9.3618 9.3618 9.4683 9.4683 9.5450 9.5450 11.1676 11.1676 13.4433 13.4433 14.5946 14.5946 14.6131 14.6131 15.2409 15.2409 k = 0.5000 0.5000 0.1269 ( 5264 PWs) bands (ev): -45.1350 -45.1350 -21.9283 -21.9283 -21.3668 -21.3668 -21.0970 -21.0970 -14.2286 -14.2286 -6.6760 -6.6760 -6.5038 -6.5038 -6.5002 -6.5002 -1.1260 -1.1260 0.5630 0.5630 1.3629 1.3629 5.6171 5.6171 6.3331 6.3331 7.4256 7.4256 7.4539 7.4539 8.2132 8.2132 9.3633 9.3633 9.4609 9.4609 9.5390 9.5390 11.1910 11.1910 13.2980 13.2980 14.5909 14.5909 14.6092 14.6092 15.2411 15.2411 k = 0.5000 0.5000 0.1396 ( 5248 PWs) bands (ev): -45.1350 -45.1350 -21.9283 -21.9283 -21.3667 -21.3667 -21.0972 -21.0972 -14.2140 -14.2140 -6.7776 -6.7776 -6.5001 -6.5001 -6.4977 -6.4977 -1.0061 -1.0061 0.5908 0.5908 1.3427 1.3427 5.6224 5.6224 6.3335 6.3335 7.4468 7.4468 7.4800 7.4800 8.2144 8.2144 9.3650 9.3650 9.4523 9.4523 9.5319 9.5319 11.2168 11.2168 13.1412 13.1412 14.5870 14.5870 14.6051 14.6051 15.2413 15.2413 k = 0.5000 0.5000 0.1523 ( 5232 PWs) bands (ev): -45.1350 -45.1350 -21.9283 -21.9283 -21.3667 -21.3667 -21.0975 -21.0975 -14.1983 -14.1983 -6.8829 -6.8829 -6.4962 -6.4962 -6.4939 -6.4939 -0.8891 -0.8891 0.6289 0.6289 1.3213 1.3213 5.6279 5.6279 6.3339 6.3339 7.4697 7.4697 7.5081 7.5081 8.2157 8.2157 9.3668 9.3668 9.4425 9.4425 9.5238 9.5238 11.2450 11.2450 12.9737 12.9737 14.5828 14.5828 14.6008 14.6008 15.2415 15.2415 k = 0.5000 0.5000 0.1650 ( 5240 PWs) bands (ev): -45.1350 -45.1350 -21.9283 -21.9283 -21.3666 -21.3666 -21.0978 -21.0978 -14.1815 -14.1815 -6.9903 -6.9903 -6.4921 -6.4921 -6.4895 -6.4895 -0.7785 -0.7785 0.6802 0.6802 1.2987 1.2987 5.6339 5.6339 6.3343 6.3343 7.4943 7.4943 7.5382 7.5382 8.2171 8.2171 9.3687 9.3687 9.4315 9.4315 9.5144 9.5144 11.2756 11.2756 12.7964 12.7964 14.5783 14.5783 14.5961 14.5961 15.2418 15.2418 k = 0.5000 0.5000 0.1777 ( 5260 PWs) bands (ev): -45.1349 -45.1349 -21.9283 -21.9283 -21.3666 -21.3666 -21.0981 -21.0981 -14.1636 -14.1636 -7.0988 -7.0988 -6.4877 -6.4877 -6.4846 -6.4846 -0.6779 -0.6779 0.7475 0.7475 1.2753 1.2753 5.6400 5.6400 6.3348 6.3348 7.5206 7.5206 7.5701 7.5701 8.2185 8.2185 9.3706 9.3706 9.4190 9.4190 9.5038 9.5038 11.3085 11.3085 12.6100 12.6100 14.5737 14.5737 14.5913 14.5913 15.2420 15.2420 k = 0.5000 0.5000 0.1904 ( 5260 PWs) bands (ev): -45.1349 -45.1349 -21.9283 -21.9283 -21.3665 -21.3665 -21.0984 -21.0984 -14.1448 -14.1448 -7.2077 -7.2077 -6.4832 -6.4832 -6.4794 -6.4794 -0.5900 -0.5900 0.8330 0.8330 1.2511 1.2511 5.6465 5.6465 6.3353 6.3353 7.5484 7.5484 7.6039 7.6039 8.2200 8.2200 9.3727 9.3727 9.4051 9.4051 9.4918 9.4918 11.3437 11.3437 12.4154 12.4154 14.5688 14.5688 14.5863 14.5863 15.2422 15.2422 k = 0.5000 0.5000 0.2030 ( 5244 PWs) bands (ev): -45.1349 -45.1349 -21.9283 -21.9283 -21.3665 -21.3665 -21.0987 -21.0987 -14.1252 -14.1252 -7.3162 -7.3162 -6.4785 -6.4785 -6.4740 -6.4740 -0.5167 -0.5167 0.9380 0.9380 1.2262 1.2262 5.6531 5.6531 6.3358 6.3358 7.5778 7.5778 7.6392 7.6392 8.2216 8.2216 9.3748 9.3748 9.3898 9.3898 9.4784 9.4784 11.3813 11.3813 12.2133 12.2133 14.5638 14.5638 14.5811 14.5811 15.2425 15.2425 k = 0.5000 0.5000 0.2157 ( 5244 PWs) bands (ev): -45.1349 -45.1349 -21.9283 -21.9283 -21.3664 -21.3664 -21.0990 -21.0990 -14.1048 -14.1048 -7.4239 -7.4239 -6.4736 -6.4736 -6.4684 -6.4684 -0.4583 -0.4583 1.0625 1.0625 1.2010 1.2010 5.6599 5.6599 6.3363 6.3363 7.6086 7.6086 7.6762 7.6762 8.2231 8.2231 9.3729 9.3729 9.3769 9.3769 9.4635 9.4635 11.4210 11.4210 12.0045 12.0045 14.5588 14.5588 14.5758 14.5759 15.2427 15.2427 k = 0.5000 0.5000 0.2284 ( 5244 PWs) bands (ev): -45.1349 -45.1349 -21.9283 -21.9283 -21.3663 -21.3663 -21.0993 -21.0993 -14.0838 -14.0838 -7.5301 -7.5301 -6.4687 -6.4687 -6.4627 -6.4627 -0.4139 -0.4139 1.1755 1.1755 1.2053 1.2053 5.6668 5.6668 6.3368 6.3368 7.6408 7.6408 7.7146 7.7146 8.2247 8.2247 9.3543 9.3543 9.3791 9.3791 9.4470 9.4470 11.4630 11.4630 11.7896 11.7896 14.5536 14.5536 14.5705 14.5705 15.2430 15.2430 k = 0.5000 0.5000 0.2411 ( 5228 PWs) bands (ev): -45.1349 -45.1349 -21.9284 -21.9284 -21.3663 -21.3663 -21.0996 -21.0996 -14.0622 -14.0622 -7.6345 -7.6345 -6.4637 -6.4637 -6.4568 -6.4568 -0.3818 -0.3818 1.1499 1.1499 1.3641 1.3641 5.6738 5.6738 6.3373 6.3373 7.6742 7.6742 7.7543 7.7543 8.2264 8.2264 9.3342 9.3342 9.3813 9.3813 9.4289 9.4289 11.5071 11.5071 11.5695 11.5695 14.5484 14.5484 14.5652 14.5652 15.2432 15.2432 k = 0.5000 0.5000 0.2538 ( 5224 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3662 -21.3662 -21.1000 -21.1000 -14.0402 -14.0402 -7.7365 -7.7365 -6.4587 -6.4587 -6.4509 -6.4509 -0.3598 -0.3598 1.1245 1.1245 1.5367 1.5367 5.6809 5.6809 6.3378 6.3378 7.7088 7.7088 7.7953 7.7953 8.2280 8.2280 9.3123 9.3123 9.3833 9.3833 9.4092 9.4092 11.3447 11.3447 11.5532 11.5532 14.5432 14.5432 14.5598 14.5598 15.2435 15.2435 k = 0.5000 0.5000 0.2665 ( 5236 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3662 -21.3662 -21.1003 -21.1003 -14.0179 -14.0179 -7.8358 -7.8358 -6.4537 -6.4537 -6.4450 -6.4450 -0.3458 -0.3458 1.0992 1.0992 1.7207 1.7207 5.6879 5.6879 6.3383 6.3383 7.7445 7.7445 7.8374 7.8374 8.2297 8.2297 9.2887 9.2887 9.3829 9.3829 9.3902 9.3902 11.1159 11.1159 11.6013 11.6013 14.5380 14.5380 14.5545 14.5545 15.2437 15.2437 k = 0.5000 0.5000 0.2792 ( 5236 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3661 -21.3661 -21.1006 -21.1006 -13.9954 -13.9954 -7.9320 -7.9320 -6.4487 -6.4487 -6.4391 -6.4391 -0.3382 -0.3382 1.0743 1.0743 1.9141 1.9141 5.6948 5.6948 6.3388 6.3388 7.7811 7.7811 7.8806 7.8806 8.2313 8.2313 9.2634 9.2634 9.3633 9.3633 9.3888 9.3888 10.8839 10.8839 11.6513 11.6513 14.5329 14.5329 14.5493 14.5493 15.2439 15.2439 k = 0.5000 0.5000 0.2919 ( 5248 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3660 -21.3660 -21.1009 -21.1009 -13.9729 -13.9729 -8.0249 -8.0249 -6.4438 -6.4438 -6.4333 -6.4333 -0.3354 -0.3354 1.0500 1.0500 2.1150 2.1150 5.7016 5.7016 6.3393 6.3393 7.8186 7.8186 7.9248 7.9248 8.2329 8.2329 9.2363 9.2363 9.3385 9.3385 9.3907 9.3907 10.6493 10.6493 11.7030 11.7030 14.5279 14.5279 14.5442 14.5442 15.2442 15.2442 k = 0.5000 0.5000 0.3046 ( 5232 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3660 -21.3660 -21.1012 -21.1012 -13.9506 -13.9506 -8.1140 -8.1140 -6.4390 -6.4390 -6.4276 -6.4276 -0.3363 -0.3363 1.0264 1.0264 2.3221 2.3221 5.7083 5.7083 6.3398 6.3398 7.8569 7.8569 7.9698 7.9698 8.2345 8.2345 9.2074 9.2074 9.3118 9.3118 9.3927 9.3927 10.4130 10.4130 11.7562 11.7562 14.5230 14.5230 14.5392 14.5392 15.2017 15.2017 k = 0.5000 0.5000 0.3173 ( 5232 PWs) bands (ev): -45.1348 -45.1348 -21.9284 -21.9284 -21.3659 -21.3659 -21.1015 -21.1015 -13.9286 -13.9286 -8.1990 -8.1990 -6.4343 -6.4343 -6.4220 -6.4220 -0.3398 -0.3398 1.0036 1.0036 2.5339 2.5339 5.7147 5.7147 6.3403 6.3403 7.8956 7.8956 8.0155 8.0155 8.2360 8.2360 9.1765 9.1765 9.2834 9.2834 9.3948 9.3948 10.1758 10.1758 11.8109 11.8109 14.5182 14.5182 14.5344 14.5344 15.0831 15.0831 k = 0.5000 0.5000 0.3299 ( 5232 PWs) bands (ev): -45.1348 -45.1348 -21.9285 -21.9285 -21.3659 -21.3659 -21.1018 -21.1018 -13.9070 -13.9070 -8.2797 -8.2797 -6.4298 -6.4298 -6.4166 -6.4166 -0.3452 -0.3452 0.9818 0.9818 2.7494 2.7494 5.7210 5.7210 6.3408 6.3408 7.9347 7.9347 8.0618 8.0618 8.2375 8.2375 9.1433 9.1433 9.2533 9.2533 9.3968 9.3968 9.9390 9.9390 11.8666 11.8666 14.5135 14.5135 14.5298 14.5298 14.9674 14.9674 k = 0.5000 0.5000 0.3426 ( 5232 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3658 -21.3658 -21.1021 -21.1021 -13.8861 -13.8861 -8.3557 -8.3557 -6.4254 -6.4254 -6.4114 -6.4114 -0.3519 -0.3519 0.9611 0.9611 2.9675 2.9675 5.7269 5.7269 6.3412 6.3412 7.9738 7.9738 8.1087 8.1087 8.2390 8.2390 9.1070 9.1070 9.2216 9.2216 9.3987 9.3987 9.7043 9.7043 11.9233 11.9233 14.5090 14.5090 14.5255 14.5255 14.8551 14.8551 k = 0.5000 0.5000 0.3553 ( 5216 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3658 -21.3658 -21.1024 -21.1024 -13.8659 -13.8659 -8.4269 -8.4269 -6.4213 -6.4213 -6.4065 -6.4065 -0.3594 -0.3594 0.9416 0.9416 3.1870 3.1870 5.7326 5.7326 6.3416 6.3416 8.0125 8.0125 8.1560 8.1560 8.2403 8.2403 9.0650 9.0650 9.1883 9.1883 9.4005 9.4005 9.4757 9.4757 11.9804 11.9804 14.5046 14.5046 14.5214 14.5214 14.7466 14.7466 k = 0.5000 0.5000 0.3680 ( 5224 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3657 -21.3657 -21.1026 -21.1026 -13.8468 -13.8468 -8.4928 -8.4928 -6.4175 -6.4175 -6.4019 -6.4019 -0.3673 -0.3673 0.9234 0.9234 3.4068 3.4068 5.7378 5.7378 6.3420 6.3420 8.0501 8.0501 8.2035 8.2035 8.2416 8.2416 9.0076 9.0076 9.1537 9.1537 9.2645 9.2645 9.4022 9.4022 12.0376 12.0376 14.4997 14.4997 14.5176 14.5176 14.6429 14.6429 k = 0.5000 0.5000 0.3807 ( 5280 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3657 -21.3657 -21.1028 -21.1028 -13.8289 -13.8289 -8.5534 -8.5534 -6.4139 -6.4139 -6.3977 -6.3977 -0.3753 -0.3753 0.9066 0.9066 3.6256 3.6256 5.7427 5.7427 6.3423 6.3423 8.0853 8.0853 8.2428 8.2428 8.2510 8.2510 8.8992 8.8992 9.1088 9.1088 9.1178 9.1178 9.4037 9.4037 12.0943 12.0943 14.4913 14.4913 14.5141 14.5141 14.5480 14.5480 k = 0.5000 0.5000 0.3934 ( 5284 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3656 -21.3656 -21.1031 -21.1031 -13.8122 -13.8122 -8.6083 -8.6083 -6.4106 -6.4106 -6.3937 -6.3937 -0.3830 -0.3830 0.8914 0.8914 3.8418 3.8418 5.7471 5.7471 6.3427 6.3427 8.1153 8.1153 8.2438 8.2438 8.2985 8.2985 8.7236 8.7236 9.0295 9.0295 9.0807 9.0807 9.4051 9.4051 12.1499 12.1499 14.4392 14.4392 14.5025 14.5025 14.5109 14.5109 k = 0.5000 0.5000 0.4061 ( 5284 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3656 -21.3656 -21.1032 -21.1032 -13.7971 -13.7971 -8.6573 -8.6573 -6.4077 -6.4077 -6.3902 -6.3902 -0.3903 -0.3903 0.8777 0.8777 4.0532 4.0532 5.7511 5.7511 6.3430 6.3430 8.1314 8.1314 8.2440 8.2440 8.3457 8.3457 8.5381 8.5381 8.9802 8.9802 9.0428 9.0428 9.4064 9.4064 12.2036 12.2036 14.3550 14.3550 14.4957 14.4957 14.5080 14.5080 k = 0.5000 0.5000 0.4188 ( 5284 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3656 -21.3656 -21.1034 -21.1034 -13.7836 -13.7836 -8.7002 -8.7002 -6.4051 -6.4051 -6.3871 -6.3871 -0.3969 -0.3969 0.8657 0.8657 4.2573 4.2573 5.7547 5.7547 6.3432 6.3432 8.1041 8.1041 8.2429 8.2429 8.3923 8.3923 8.3972 8.3972 8.9397 8.9397 9.0042 9.0042 9.4076 9.4076 12.2544 12.2544 14.2754 14.2754 14.4923 14.4923 14.5055 14.5055 k = 0.5000 0.5000 0.4315 ( 5276 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1035 -21.1035 -13.7719 -13.7719 -8.7368 -8.7368 -6.4029 -6.4029 -6.3844 -6.3844 -0.4028 -0.4028 0.8555 0.8555 4.4501 4.4501 5.7577 5.7577 6.3434 6.3434 7.9930 7.9930 8.2422 8.2422 8.3473 8.3473 8.4378 8.4378 8.9035 8.9035 8.9656 8.9656 9.4085 9.4085 12.3010 12.3010 14.2038 14.2038 14.4898 14.4898 14.5034 14.5034 k = 0.5000 0.5000 0.4442 ( 5268 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1037 -21.1037 -13.7622 -13.7622 -8.7671 -8.7671 -6.4010 -6.4010 -6.3822 -6.3822 -0.4078 -0.4078 0.8470 0.8470 4.6266 4.6266 5.7602 5.7602 6.3436 6.3436 7.8410 7.8410 8.2431 8.2431 8.3504 8.3504 8.4814 8.4814 8.8709 8.8709 8.9275 8.9275 9.4093 9.4093 12.3422 12.3422 14.1420 14.1420 14.4878 14.4878 14.5016 14.5016 k = 0.5000 0.5000 0.4568 ( 5268 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1037 -21.1037 -13.7545 -13.7545 -8.7907 -8.7907 -6.3996 -6.3996 -6.3805 -6.3805 -0.4118 -0.4118 0.8404 0.8404 4.7797 4.7797 5.7622 5.7622 6.3438 6.3438 7.6952 7.6952 8.2441 8.2441 8.3671 8.3671 8.5220 8.5220 8.8427 8.8427 8.8912 8.8912 9.4100 9.4100 12.3765 12.3765 14.0917 14.0917 14.4863 14.4863 14.5002 14.5002 k = 0.5000 0.5000 0.4695 ( 5268 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1038 -21.1038 -13.7489 -13.7489 -8.8077 -8.8077 -6.3985 -6.3985 -6.3792 -6.3792 -0.4146 -0.4146 0.8356 0.8356 4.9005 4.9005 5.7636 5.7636 6.3439 6.3439 7.5766 7.5766 8.2447 8.2447 8.3843 8.3843 8.5571 8.5571 8.8203 8.8203 8.8591 8.8591 9.4104 9.4104 12.4023 12.4023 14.0543 14.0543 14.4853 14.4853 14.4992 14.4992 k = 0.5000 0.5000 0.4822 ( 5272 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1039 -21.1039 -13.7456 -13.7456 -8.8179 -8.8179 -6.3979 -6.3979 -6.3785 -6.3785 -0.4164 -0.4164 0.8328 0.8328 4.9789 4.9789 5.7644 5.7644 6.3439 6.3439 7.4988 7.4988 8.2451 8.2451 8.3966 8.3966 8.5826 8.5826 8.8057 8.8057 8.8355 8.8355 9.4107 9.4107 12.4184 12.4184 14.0312 14.0313 14.4846 14.4846 14.4986 14.4986 k = 0.5000 0.5000 0.4949 ( 5280 PWs) bands (ev): -45.1347 -45.1347 -21.9285 -21.9285 -21.3655 -21.3655 -21.1039 -21.1039 -13.7445 -13.7445 -8.8213 -8.8213 -6.3977 -6.3977 -6.3782 -6.3782 -0.4170 -0.4170 0.8318 0.8318 5.0061 5.0061 5.7647 5.7647 6.3440 6.3440 7.4716 7.4716 8.2452 8.2452 8.4010 8.4010 8.5922 8.5922 8.8006 8.8006 8.8265 8.8265 9.4108 9.4108 12.4239 12.4239 14.0235 14.0235 14.4844 14.4844 14.4984 14.4984 Writing output data file BaTiO3.save init_run : 0.17s CPU 0.30s WALL ( 1 calls) electrons : 286.35s CPU 290.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 286.34s CPU 290.13s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 398 calls) cegterg : 273.62s CPU 276.77s WALL ( 768 calls) Called by sum_band: Called by *egterg: h_psi : 166.02s CPU 168.06s WALL ( 13329 calls) s_psi : 5.50s CPU 5.47s WALL ( 13329 calls) g_psi : 0.49s CPU 0.57s WALL ( 12163 calls) cdiaghg : 79.73s CPU 81.01s WALL ( 12561 calls) cegterg:over : 11.45s CPU 11.55s WALL ( 12163 calls) cegterg:upda : 9.83s CPU 10.01s WALL ( 12163 calls) cegterg:last : 6.22s CPU 6.13s WALL ( 2360 calls) cdiaghg:chol : 4.54s CPU 4.56s WALL ( 12561 calls) cdiaghg:inve : 3.08s CPU 3.02s WALL ( 12561 calls) cdiaghg:para : 4.66s CPU 4.70s WALL ( 25122 calls) Called by h_psi: h_psi:vloc : 150.07s CPU 151.86s WALL ( 13329 calls) h_psi:vnl : 15.48s CPU 15.74s WALL ( 13329 calls) add_vuspsi : 7.85s CPU 7.82s WALL ( 13329 calls) General routines calbec : 7.59s CPU 7.89s WALL ( 13329 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 142.75s CPU 144.31s WALL ( 1369480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.30s WALL ( 796 calls) Parallel routines fft_scatter : 46.05s CPU 46.98s WALL ( 1369503 calls) PWSCF : 5m 7.30s CPU 5m25.80s WALL This run was terminated on: 14:18:28 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=