Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:46:26 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: ./InCuPt2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 27 8 2010 547 92 Max 65 28 9 2015 567 97 Sum 2321 989 293 72455 20099 3397 bravais-lattice index = 14 lattice parameter (alat) = 8.2109 a.u. unit-cell volume = 476.6107 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.210859 celldm(2)= 1.000000 celldm(3)= 0.860990 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 0.860990 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.161454 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Cu 11.00 63.54600 Cu( 1.00) Pt 10.00 195.08400 Pt( 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= 387 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0025840 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0025840 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0025840 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0025840 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0025840 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0025840 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0025840 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0025840 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0025840 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0025840 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0025840 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0025840 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0025840 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0025840 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0025840 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0025840 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0025840 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0025840 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0025840 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0025840 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0025840 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0025840 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0025840 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0025840 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0025840 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0025840 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0025840 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0025840 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0025840 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0025840 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0025840 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0025840 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0025840 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0025840 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0025840 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0025840 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0025840 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0025840 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0025840 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0025840 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0025840 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0025840 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0025840 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0025840 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0025840 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0025840 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0025840 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0025840 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0025840 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0025840 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0025840 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0025840 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0025840 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0025840 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0025840 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0025840 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0025840 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0025840 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0025840 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0025840 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0025840 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0025840 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0025840 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0025840 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0025840 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0025840 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0025840 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0025840 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0025840 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0025840 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0025840 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0025840 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0025840 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0025840 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0025840 k( 84) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0025840 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0025840 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0025840 k( 87) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0025840 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0025840 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0025840 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025840 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0025840 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0025840 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0025840 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0025840 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0025840 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0025840 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0025840 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0025840 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0025840 k( 100) = ( 0.2788462 0.2788461 -0.0000000), wk = 0.0025840 k( 101) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0025840 k( 102) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0025840 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025840 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0025840 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0025840 k( 106) = ( 0.2211539 0.2211538 -0.0000000), wk = 0.0025840 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0025840 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0025840 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0025840 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0025840 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0025840 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0025840 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0025840 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0025840 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0025840 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025840 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0025840 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0025840 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0025840 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0025840 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0025840 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0025840 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0025840 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0025840 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0025840 k( 126) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0025840 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0025840 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0025840 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 131) = ( 0.0000000 0.0000000 0.0138268), wk = 0.0025840 k( 132) = ( 0.0000000 0.0000000 0.0276537), wk = 0.0025840 k( 133) = ( 0.0000000 0.0000000 0.0414805), wk = 0.0025840 k( 134) = ( 0.0000000 0.0000000 0.0553073), wk = 0.0025840 k( 135) = ( 0.0000000 0.0000000 0.0691342), wk = 0.0025840 k( 136) = ( 0.0000000 0.0000000 0.0829610), wk = 0.0025840 k( 137) = ( 0.0000000 0.0000000 0.0967878), wk = 0.0025840 k( 138) = ( 0.0000000 0.0000000 0.1106147), wk = 0.0025840 k( 139) = ( 0.0000000 0.0000000 0.1244415), wk = 0.0025840 k( 140) = ( 0.0000000 0.0000000 0.1382684), wk = 0.0025840 k( 141) = ( 0.0000000 0.0000000 0.1520952), wk = 0.0025840 k( 142) = ( 0.0000000 0.0000000 0.1659220), wk = 0.0025840 k( 143) = ( 0.0000000 0.0000000 0.1797489), wk = 0.0025840 k( 144) = ( 0.0000000 0.0000000 0.1935757), wk = 0.0025840 k( 145) = ( 0.0000000 0.0000000 0.2074025), wk = 0.0025840 k( 146) = ( 0.0000000 0.0000000 0.2212294), wk = 0.0025840 k( 147) = ( 0.0000000 0.0000000 0.2350562), wk = 0.0025840 k( 148) = ( 0.0000000 0.0000000 0.2488830), wk = 0.0025840 k( 149) = ( 0.0000000 0.0000000 0.2627099), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.2765367), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.2903635), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.3041904), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.3180172), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.3318440), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.3456709), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.3594977), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.3733245), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.3871514), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.4009782), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.4148051), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.4286319), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.4424587), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.4562856), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.4701124), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.4839392), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.4977661), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.5115929), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.5254197), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.5392466), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.5530734), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.5669002), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.5807271), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.5807271), wk = 0.0025840 k( 174) = ( 0.0000000 0.0135135 0.5807271), wk = 0.0025840 k( 175) = ( 0.0000000 0.0270270 0.5807271), wk = 0.0025840 k( 176) = ( 0.0000000 0.0405405 0.5807271), wk = 0.0025840 k( 177) = ( 0.0000000 0.0540540 0.5807271), wk = 0.0025840 k( 178) = ( 0.0000000 0.0675676 0.5807271), wk = 0.0025840 k( 179) = ( 0.0000000 0.0810811 0.5807271), wk = 0.0025840 k( 180) = ( 0.0000000 0.0945946 0.5807271), wk = 0.0025840 k( 181) = ( 0.0000000 0.1081081 0.5807271), wk = 0.0025840 k( 182) = ( 0.0000000 0.1216216 0.5807271), wk = 0.0025840 k( 183) = ( 0.0000000 0.1351351 0.5807271), wk = 0.0025840 k( 184) = ( 0.0000000 0.1486486 0.5807271), wk = 0.0025840 k( 185) = ( 0.0000000 0.1621622 0.5807271), wk = 0.0025840 k( 186) = ( 0.0000000 0.1756757 0.5807271), wk = 0.0025840 k( 187) = ( 0.0000000 0.1891892 0.5807271), wk = 0.0025840 k( 188) = ( 0.0000000 0.2027027 0.5807271), wk = 0.0025840 k( 189) = ( 0.0000000 0.2162162 0.5807271), wk = 0.0025840 k( 190) = ( 0.0000000 0.2297297 0.5807271), wk = 0.0025840 k( 191) = ( 0.0000000 0.2432432 0.5807271), wk = 0.0025840 k( 192) = ( 0.0000000 0.2567568 0.5807271), wk = 0.0025840 k( 193) = ( 0.0000000 0.2702703 0.5807271), wk = 0.0025840 k( 194) = ( 0.0000000 0.2837838 0.5807271), wk = 0.0025840 k( 195) = ( 0.0000000 0.2972973 0.5807271), wk = 0.0025840 k( 196) = ( 0.0000000 0.3108108 0.5807271), wk = 0.0025840 k( 197) = ( 0.0000000 0.3243243 0.5807271), wk = 0.0025840 k( 198) = ( 0.0000000 0.3378378 0.5807271), wk = 0.0025840 k( 199) = ( 0.0000000 0.3513514 0.5807271), wk = 0.0025840 k( 200) = ( 0.0000000 0.3648649 0.5807271), wk = 0.0025840 k( 201) = ( 0.0000000 0.3783784 0.5807271), wk = 0.0025840 k( 202) = ( 0.0000000 0.3918919 0.5807271), wk = 0.0025840 k( 203) = ( 0.0000000 0.4054054 0.5807271), wk = 0.0025840 k( 204) = ( 0.0000000 0.4189189 0.5807271), wk = 0.0025840 k( 205) = ( 0.0000000 0.4324324 0.5807271), wk = 0.0025840 k( 206) = ( 0.0000000 0.4459459 0.5807271), wk = 0.0025840 k( 207) = ( 0.0000000 0.4594595 0.5807271), wk = 0.0025840 k( 208) = ( 0.0000000 0.4729730 0.5807271), wk = 0.0025840 k( 209) = ( 0.0000000 0.4864865 0.5807271), wk = 0.0025840 k( 210) = ( 0.0000000 0.5000000 0.5807271), wk = 0.0025840 k( 211) = ( 0.0000000 0.5000000 0.5807271), wk = 0.0025840 k( 212) = ( 0.0135135 0.5000000 0.5807271), wk = 0.0025840 k( 213) = ( 0.0270270 0.5000000 0.5807271), wk = 0.0025840 k( 214) = ( 0.0405405 0.5000000 0.5807271), wk = 0.0025840 k( 215) = ( 0.0540540 0.5000000 0.5807271), wk = 0.0025840 k( 216) = ( 0.0675676 0.5000000 0.5807271), wk = 0.0025840 k( 217) = ( 0.0810811 0.5000000 0.5807271), wk = 0.0025840 k( 218) = ( 0.0945946 0.5000000 0.5807271), wk = 0.0025840 k( 219) = ( 0.1081081 0.5000000 0.5807271), wk = 0.0025840 k( 220) = ( 0.1216216 0.5000000 0.5807271), wk = 0.0025840 k( 221) = ( 0.1351351 0.5000000 0.5807271), wk = 0.0025840 k( 222) = ( 0.1486486 0.5000000 0.5807271), wk = 0.0025840 k( 223) = ( 0.1621622 0.5000000 0.5807271), wk = 0.0025840 k( 224) = ( 0.1756757 0.5000000 0.5807271), wk = 0.0025840 k( 225) = ( 0.1891892 0.5000000 0.5807271), wk = 0.0025840 k( 226) = ( 0.2027027 0.5000000 0.5807271), wk = 0.0025840 k( 227) = ( 0.2162162 0.5000000 0.5807271), wk = 0.0025840 k( 228) = ( 0.2297297 0.5000000 0.5807271), wk = 0.0025840 k( 229) = ( 0.2432432 0.5000000 0.5807271), wk = 0.0025840 k( 230) = ( 0.2567568 0.5000000 0.5807271), wk = 0.0025840 k( 231) = ( 0.2702703 0.5000000 0.5807271), wk = 0.0025840 k( 232) = ( 0.2837838 0.5000000 0.5807271), wk = 0.0025840 k( 233) = ( 0.2972973 0.5000000 0.5807271), wk = 0.0025840 k( 234) = ( 0.3108108 0.5000000 0.5807271), wk = 0.0025840 k( 235) = ( 0.3243243 0.5000000 0.5807271), wk = 0.0025840 k( 236) = ( 0.3378378 0.5000000 0.5807271), wk = 0.0025840 k( 237) = ( 0.3513514 0.5000000 0.5807271), wk = 0.0025840 k( 238) = ( 0.3648649 0.5000000 0.5807271), wk = 0.0025840 k( 239) = ( 0.3783784 0.5000000 0.5807271), wk = 0.0025840 k( 240) = ( 0.3918919 0.5000000 0.5807271), wk = 0.0025840 k( 241) = ( 0.4054054 0.5000000 0.5807271), wk = 0.0025840 k( 242) = ( 0.4189189 0.5000000 0.5807271), wk = 0.0025840 k( 243) = ( 0.4324324 0.5000000 0.5807271), wk = 0.0025840 k( 244) = ( 0.4459459 0.5000000 0.5807271), wk = 0.0025840 k( 245) = ( 0.4594595 0.5000000 0.5807271), wk = 0.0025840 k( 246) = ( 0.4729730 0.5000000 0.5807271), wk = 0.0025840 k( 247) = ( 0.4864865 0.5000000 0.5807271), wk = 0.0025840 k( 248) = ( 0.5000000 0.5000000 0.5807271), wk = 0.0025840 k( 249) = ( 0.5000000 0.5000000 0.5807271), wk = 0.0025840 k( 250) = ( 0.4903846 0.4903846 0.5807271), wk = 0.0025840 k( 251) = ( 0.4807692 0.4807692 0.5807271), wk = 0.0025840 k( 252) = ( 0.4711538 0.4711538 0.5807271), wk = 0.0025840 k( 253) = ( 0.4615385 0.4615385 0.5807271), wk = 0.0025840 k( 254) = ( 0.4519231 0.4519231 0.5807271), wk = 0.0025840 k( 255) = ( 0.4423077 0.4423077 0.5807271), wk = 0.0025840 k( 256) = ( 0.4326923 0.4326923 0.5807271), wk = 0.0025840 k( 257) = ( 0.4230769 0.4230769 0.5807271), wk = 0.0025840 k( 258) = ( 0.4134615 0.4134615 0.5807271), wk = 0.0025840 k( 259) = ( 0.4038462 0.4038461 0.5807271), wk = 0.0025840 k( 260) = ( 0.3942308 0.3942308 0.5807271), wk = 0.0025840 k( 261) = ( 0.3846154 0.3846154 0.5807271), wk = 0.0025840 k( 262) = ( 0.3750000 0.3750000 0.5807271), wk = 0.0025840 k( 263) = ( 0.3653846 0.3653846 0.5807271), wk = 0.0025840 k( 264) = ( 0.3557692 0.3557692 0.5807271), wk = 0.0025840 k( 265) = ( 0.3461538 0.3461538 0.5807271), wk = 0.0025840 k( 266) = ( 0.3365385 0.3365385 0.5807271), wk = 0.0025840 k( 267) = ( 0.3269231 0.3269231 0.5807271), wk = 0.0025840 k( 268) = ( 0.3173077 0.3173077 0.5807271), wk = 0.0025840 k( 269) = ( 0.3076923 0.3076923 0.5807271), wk = 0.0025840 k( 270) = ( 0.2980769 0.2980769 0.5807271), wk = 0.0025840 k( 271) = ( 0.2884615 0.2884615 0.5807271), wk = 0.0025840 k( 272) = ( 0.2788462 0.2788461 0.5807271), wk = 0.0025840 k( 273) = ( 0.2692308 0.2692308 0.5807271), wk = 0.0025840 k( 274) = ( 0.2596154 0.2596154 0.5807271), wk = 0.0025840 k( 275) = ( 0.2500000 0.2500000 0.5807271), wk = 0.0025840 k( 276) = ( 0.2403846 0.2403846 0.5807271), wk = 0.0025840 k( 277) = ( 0.2307692 0.2307692 0.5807271), wk = 0.0025840 k( 278) = ( 0.2211539 0.2211538 0.5807271), wk = 0.0025840 k( 279) = ( 0.2115385 0.2115385 0.5807271), wk = 0.0025840 k( 280) = ( 0.2019231 0.2019231 0.5807271), wk = 0.0025840 k( 281) = ( 0.1923077 0.1923077 0.5807271), wk = 0.0025840 k( 282) = ( 0.1826923 0.1826923 0.5807271), wk = 0.0025840 k( 283) = ( 0.1730769 0.1730769 0.5807271), wk = 0.0025840 k( 284) = ( 0.1634615 0.1634615 0.5807271), wk = 0.0025840 k( 285) = ( 0.1538461 0.1538461 0.5807271), wk = 0.0025840 k( 286) = ( 0.1442308 0.1442308 0.5807271), wk = 0.0025840 k( 287) = ( 0.1346154 0.1346154 0.5807271), wk = 0.0025840 k( 288) = ( 0.1250000 0.1250000 0.5807271), wk = 0.0025840 k( 289) = ( 0.1153846 0.1153846 0.5807271), wk = 0.0025840 k( 290) = ( 0.1057692 0.1057692 0.5807271), wk = 0.0025840 k( 291) = ( 0.0961538 0.0961538 0.5807271), wk = 0.0025840 k( 292) = ( 0.0865385 0.0865385 0.5807271), wk = 0.0025840 k( 293) = ( 0.0769231 0.0769231 0.5807271), wk = 0.0025840 k( 294) = ( 0.0673077 0.0673077 0.5807271), wk = 0.0025840 k( 295) = ( 0.0576923 0.0576923 0.5807271), wk = 0.0025840 k( 296) = ( 0.0480769 0.0480769 0.5807271), wk = 0.0025840 k( 297) = ( 0.0384615 0.0384615 0.5807271), wk = 0.0025840 k( 298) = ( 0.0288462 0.0288461 0.5807271), wk = 0.0025840 k( 299) = ( 0.0192308 0.0192308 0.5807271), wk = 0.0025840 k( 300) = ( 0.0096154 0.0096154 0.5807271), wk = 0.0025840 k( 301) = ( 0.0000000 0.0000000 0.5807271), wk = 0.0025840 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 303) = ( 0.0000000 0.5000000 0.0138268), wk = 0.0025840 k( 304) = ( 0.0000000 0.5000000 0.0276537), wk = 0.0025840 k( 305) = ( 0.0000000 0.5000000 0.0414805), wk = 0.0025840 k( 306) = ( 0.0000000 0.5000000 0.0553073), wk = 0.0025840 k( 307) = ( 0.0000000 0.5000000 0.0691342), wk = 0.0025840 k( 308) = ( 0.0000000 0.5000000 0.0829610), wk = 0.0025840 k( 309) = ( 0.0000000 0.5000000 0.0967878), wk = 0.0025840 k( 310) = ( 0.0000000 0.5000000 0.1106147), wk = 0.0025840 k( 311) = ( 0.0000000 0.5000000 0.1244415), wk = 0.0025840 k( 312) = ( 0.0000000 0.5000000 0.1382684), wk = 0.0025840 k( 313) = ( 0.0000000 0.5000000 0.1520952), wk = 0.0025840 k( 314) = ( 0.0000000 0.5000000 0.1659220), wk = 0.0025840 k( 315) = ( 0.0000000 0.5000000 0.1797489), wk = 0.0025840 k( 316) = ( 0.0000000 0.5000000 0.1935757), wk = 0.0025840 k( 317) = ( 0.0000000 0.5000000 0.2074025), wk = 0.0025840 k( 318) = ( 0.0000000 0.5000000 0.2212294), wk = 0.0025840 k( 319) = ( 0.0000000 0.5000000 0.2350562), wk = 0.0025840 k( 320) = ( 0.0000000 0.5000000 0.2488830), wk = 0.0025840 k( 321) = ( 0.0000000 0.5000000 0.2627099), wk = 0.0025840 k( 322) = ( 0.0000000 0.5000000 0.2765367), wk = 0.0025840 k( 323) = ( 0.0000000 0.5000000 0.2903635), wk = 0.0025840 k( 324) = ( 0.0000000 0.5000000 0.3041904), wk = 0.0025840 k( 325) = ( 0.0000000 0.5000000 0.3180172), wk = 0.0025840 k( 326) = ( 0.0000000 0.5000000 0.3318440), wk = 0.0025840 k( 327) = ( 0.0000000 0.5000000 0.3456709), wk = 0.0025840 k( 328) = ( 0.0000000 0.5000000 0.3594977), wk = 0.0025840 k( 329) = ( 0.0000000 0.5000000 0.3733245), wk = 0.0025840 k( 330) = ( 0.0000000 0.5000000 0.3871514), wk = 0.0025840 k( 331) = ( 0.0000000 0.5000000 0.4009782), wk = 0.0025840 k( 332) = ( 0.0000000 0.5000000 0.4148051), wk = 0.0025840 k( 333) = ( 0.0000000 0.5000000 0.4286319), wk = 0.0025840 k( 334) = ( 0.0000000 0.5000000 0.4424587), wk = 0.0025840 k( 335) = ( 0.0000000 0.5000000 0.4562856), wk = 0.0025840 k( 336) = ( 0.0000000 0.5000000 0.4701124), wk = 0.0025840 k( 337) = ( 0.0000000 0.5000000 0.4839392), wk = 0.0025840 k( 338) = ( 0.0000000 0.5000000 0.4977661), wk = 0.0025840 k( 339) = ( 0.0000000 0.5000000 0.5115929), wk = 0.0025840 k( 340) = ( 0.0000000 0.5000000 0.5254197), wk = 0.0025840 k( 341) = ( 0.0000000 0.5000000 0.5392466), wk = 0.0025840 k( 342) = ( 0.0000000 0.5000000 0.5530734), wk = 0.0025840 k( 343) = ( 0.0000000 0.5000000 0.5669002), wk = 0.0025840 k( 344) = ( 0.0000000 0.5000000 0.5807271), wk = 0.0025840 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 346) = ( 0.5000000 0.5000000 0.0138268), wk = 0.0025840 k( 347) = ( 0.5000000 0.5000000 0.0276537), wk = 0.0025840 k( 348) = ( 0.5000000 0.5000000 0.0414805), wk = 0.0025840 k( 349) = ( 0.5000000 0.5000000 0.0553073), wk = 0.0025840 k( 350) = ( 0.5000000 0.5000000 0.0691342), wk = 0.0025840 k( 351) = ( 0.5000000 0.5000000 0.0829610), wk = 0.0025840 k( 352) = ( 0.5000000 0.5000000 0.0967878), wk = 0.0025840 k( 353) = ( 0.5000000 0.5000000 0.1106147), wk = 0.0025840 k( 354) = ( 0.5000000 0.5000000 0.1244415), wk = 0.0025840 k( 355) = ( 0.5000000 0.5000000 0.1382684), wk = 0.0025840 k( 356) = ( 0.5000000 0.5000000 0.1520952), wk = 0.0025840 k( 357) = ( 0.5000000 0.5000000 0.1659220), wk = 0.0025840 k( 358) = ( 0.5000000 0.5000000 0.1797489), wk = 0.0025840 k( 359) = ( 0.5000000 0.5000000 0.1935757), wk = 0.0025840 k( 360) = ( 0.5000000 0.5000000 0.2074025), wk = 0.0025840 k( 361) = ( 0.5000000 0.5000000 0.2212294), wk = 0.0025840 k( 362) = ( 0.5000000 0.5000000 0.2350562), wk = 0.0025840 k( 363) = ( 0.5000000 0.5000000 0.2488830), wk = 0.0025840 k( 364) = ( 0.5000000 0.5000000 0.2627099), wk = 0.0025840 k( 365) = ( 0.5000000 0.5000000 0.2765367), wk = 0.0025840 k( 366) = ( 0.5000000 0.5000000 0.2903635), wk = 0.0025840 k( 367) = ( 0.5000000 0.5000000 0.3041904), wk = 0.0025840 k( 368) = ( 0.5000000 0.5000000 0.3180172), wk = 0.0025840 k( 369) = ( 0.5000000 0.5000000 0.3318440), wk = 0.0025840 k( 370) = ( 0.5000000 0.5000000 0.3456709), wk = 0.0025840 k( 371) = ( 0.5000000 0.5000000 0.3594977), wk = 0.0025840 k( 372) = ( 0.5000000 0.5000000 0.3733245), wk = 0.0025840 k( 373) = ( 0.5000000 0.5000000 0.3871514), wk = 0.0025840 k( 374) = ( 0.5000000 0.5000000 0.4009782), wk = 0.0025840 k( 375) = ( 0.5000000 0.5000000 0.4148051), wk = 0.0025840 k( 376) = ( 0.5000000 0.5000000 0.4286319), wk = 0.0025840 k( 377) = ( 0.5000000 0.5000000 0.4424587), wk = 0.0025840 k( 378) = ( 0.5000000 0.5000000 0.4562856), wk = 0.0025840 k( 379) = ( 0.5000000 0.5000000 0.4701124), wk = 0.0025840 k( 380) = ( 0.5000000 0.5000000 0.4839392), wk = 0.0025840 k( 381) = ( 0.5000000 0.5000000 0.4977661), wk = 0.0025840 k( 382) = ( 0.5000000 0.5000000 0.5115929), wk = 0.0025840 k( 383) = ( 0.5000000 0.5000000 0.5254197), wk = 0.0025840 k( 384) = ( 0.5000000 0.5000000 0.5392466), wk = 0.0025840 k( 385) = ( 0.5000000 0.5000000 0.5530734), wk = 0.0025840 k( 386) = ( 0.5000000 0.5000000 0.5669002), wk = 0.0025840 k( 387) = ( 0.5000000 0.5000000 0.5807271), wk = 0.0025840 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0025840 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0025840 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0025840 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0025840 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0025840 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0025840 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0025840 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0025840 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0025840 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0025840 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0025840 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0025840 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0025840 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0025840 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0025840 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0025840 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0025840 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0025840 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0025840 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0025840 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0025840 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0025840 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0025840 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0025840 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0025840 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0025840 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0025840 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0025840 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0025840 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0025840 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0025840 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0025840 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0025840 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0025840 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0025840 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0025840 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0025840 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0025840 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0025840 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0025840 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0025840 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0025840 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0025840 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0025840 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0025840 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0025840 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0025840 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0025840 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0025840 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0025840 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0025840 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0025840 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0025840 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0025840 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0025840 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0025840 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0025840 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0025840 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0025840 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0025840 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0025840 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0025840 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0025840 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0025840 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0025840 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0025840 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0025840 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0025840 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0025840 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0025840 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 78) = ( 0.4903846 0.4903846 0.0000000), wk = 0.0025840 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0025840 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0025840 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0025840 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0025840 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0025840 k( 84) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0025840 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0025840 k( 86) = ( 0.4134615 0.4134615 0.0000000), wk = 0.0025840 k( 87) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0025840 k( 88) = ( 0.3942308 0.3942308 0.0000000), wk = 0.0025840 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0025840 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025840 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0025840 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0025840 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0025840 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0025840 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0025840 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0025840 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0025840 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0025840 k( 99) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0025840 k( 100) = ( 0.2788462 0.2788462 0.0000000), wk = 0.0025840 k( 101) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0025840 k( 102) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0025840 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025840 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0025840 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0025840 k( 106) = ( 0.2211539 0.2211539 0.0000000), wk = 0.0025840 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0025840 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0025840 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0025840 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0025840 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0025840 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0025840 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0025840 k( 114) = ( 0.1442308 0.1442308 0.0000000), wk = 0.0025840 k( 115) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0025840 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025840 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0025840 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0025840 k( 119) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0025840 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0025840 k( 121) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0025840 k( 122) = ( 0.0673077 0.0673077 0.0000000), wk = 0.0025840 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0025840 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0025840 k( 125) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0025840 k( 126) = ( 0.0288462 0.0288462 -0.0000000), wk = 0.0025840 k( 127) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0025840 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0025840 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 131) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0025840 k( 132) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0025840 k( 133) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025840 k( 134) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0025840 k( 135) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0025840 k( 136) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025840 k( 137) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025840 k( 138) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0025840 k( 139) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025840 k( 140) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0025840 k( 141) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0025840 k( 142) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025840 k( 143) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0025840 k( 144) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025840 k( 145) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025840 k( 146) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0025840 k( 147) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0025840 k( 148) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025840 k( 149) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 174) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0025840 k( 175) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0025840 k( 176) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0025840 k( 177) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0025840 k( 178) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0025840 k( 179) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0025840 k( 180) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0025840 k( 181) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0025840 k( 182) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0025840 k( 183) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0025840 k( 184) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0025840 k( 185) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0025840 k( 186) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0025840 k( 187) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0025840 k( 188) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0025840 k( 189) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0025840 k( 190) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0025840 k( 191) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0025840 k( 192) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0025840 k( 193) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0025840 k( 194) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0025840 k( 195) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0025840 k( 196) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0025840 k( 197) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0025840 k( 198) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0025840 k( 199) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0025840 k( 200) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0025840 k( 201) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0025840 k( 202) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0025840 k( 203) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0025840 k( 204) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0025840 k( 205) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0025840 k( 206) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0025840 k( 207) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0025840 k( 208) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0025840 k( 209) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0025840 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 212) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0025840 k( 213) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0025840 k( 214) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0025840 k( 215) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0025840 k( 216) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0025840 k( 217) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0025840 k( 218) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0025840 k( 219) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0025840 k( 220) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0025840 k( 221) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0025840 k( 222) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0025840 k( 223) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0025840 k( 224) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0025840 k( 225) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0025840 k( 226) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0025840 k( 227) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0025840 k( 228) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0025840 k( 229) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0025840 k( 230) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0025840 k( 231) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0025840 k( 232) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0025840 k( 233) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0025840 k( 234) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0025840 k( 235) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0025840 k( 236) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0025840 k( 237) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0025840 k( 238) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0025840 k( 239) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0025840 k( 240) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0025840 k( 241) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0025840 k( 242) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0025840 k( 243) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0025840 k( 244) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0025840 k( 245) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0025840 k( 246) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0025840 k( 247) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0025840 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 250) = ( 0.4903846 0.4903846 0.5000000), wk = 0.0025840 k( 251) = ( 0.4807692 0.4807692 0.5000000), wk = 0.0025840 k( 252) = ( 0.4711538 0.4711538 0.5000000), wk = 0.0025840 k( 253) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0025840 k( 254) = ( 0.4519231 0.4519231 0.5000000), wk = 0.0025840 k( 255) = ( 0.4423077 0.4423077 0.5000000), wk = 0.0025840 k( 256) = ( 0.4326923 0.4326923 0.5000000), wk = 0.0025840 k( 257) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0025840 k( 258) = ( 0.4134615 0.4134615 0.5000000), wk = 0.0025840 k( 259) = ( 0.4038462 0.4038462 0.5000000), wk = 0.0025840 k( 260) = ( 0.3942308 0.3942308 0.5000000), wk = 0.0025840 k( 261) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0025840 k( 262) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025840 k( 263) = ( 0.3653846 0.3653846 0.5000000), wk = 0.0025840 k( 264) = ( 0.3557692 0.3557692 0.5000000), wk = 0.0025840 k( 265) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0025840 k( 266) = ( 0.3365385 0.3365385 0.5000000), wk = 0.0025840 k( 267) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0025840 k( 268) = ( 0.3173077 0.3173077 0.5000000), wk = 0.0025840 k( 269) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0025840 k( 270) = ( 0.2980769 0.2980769 0.5000000), wk = 0.0025840 k( 271) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0025840 k( 272) = ( 0.2788462 0.2788462 0.5000000), wk = 0.0025840 k( 273) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0025840 k( 274) = ( 0.2596154 0.2596154 0.5000000), wk = 0.0025840 k( 275) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025840 k( 276) = ( 0.2403846 0.2403846 0.5000000), wk = 0.0025840 k( 277) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0025840 k( 278) = ( 0.2211539 0.2211539 0.5000000), wk = 0.0025840 k( 279) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0025840 k( 280) = ( 0.2019231 0.2019231 0.5000000), wk = 0.0025840 k( 281) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0025840 k( 282) = ( 0.1826923 0.1826923 0.5000000), wk = 0.0025840 k( 283) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0025840 k( 284) = ( 0.1634615 0.1634615 0.5000000), wk = 0.0025840 k( 285) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0025840 k( 286) = ( 0.1442308 0.1442308 0.5000000), wk = 0.0025840 k( 287) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0025840 k( 288) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025840 k( 289) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0025840 k( 290) = ( 0.1057692 0.1057692 0.5000000), wk = 0.0025840 k( 291) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0025840 k( 292) = ( 0.0865385 0.0865385 0.5000000), wk = 0.0025840 k( 293) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0025840 k( 294) = ( 0.0673077 0.0673077 0.5000000), wk = 0.0025840 k( 295) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0025840 k( 296) = ( 0.0480769 0.0480769 0.5000000), wk = 0.0025840 k( 297) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0025840 k( 298) = ( 0.0288462 0.0288462 0.5000000), wk = 0.0025840 k( 299) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0025840 k( 300) = ( 0.0096154 0.0096154 0.5000000), wk = 0.0025840 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 303) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0025840 k( 304) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0025840 k( 305) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0025840 k( 306) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0025840 k( 307) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0025840 k( 308) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0025840 k( 309) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0025840 k( 310) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0025840 k( 311) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0025840 k( 312) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0025840 k( 313) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0025840 k( 314) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0025840 k( 315) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0025840 k( 316) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025840 k( 317) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0025840 k( 318) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0025840 k( 319) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0025840 k( 320) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0025840 k( 321) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0025840 k( 322) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0025840 k( 323) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025840 k( 324) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0025840 k( 325) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0025840 k( 326) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0025840 k( 327) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0025840 k( 328) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0025840 k( 329) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0025840 k( 330) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025840 k( 331) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0025840 k( 332) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0025840 k( 333) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0025840 k( 334) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0025840 k( 335) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0025840 k( 336) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0025840 k( 337) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0025840 k( 338) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0025840 k( 339) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0025840 k( 340) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0025840 k( 341) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0025840 k( 342) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0025840 k( 343) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0025840 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 346) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0025840 k( 347) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0025840 k( 348) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0025840 k( 349) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0025840 k( 350) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0025840 k( 351) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0025840 k( 352) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0025840 k( 353) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0025840 k( 354) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0025840 k( 355) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0025840 k( 356) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0025840 k( 357) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0025840 k( 358) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0025840 k( 359) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025840 k( 360) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0025840 k( 361) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0025840 k( 362) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0025840 k( 363) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0025840 k( 364) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0025840 k( 365) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0025840 k( 366) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025840 k( 367) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0025840 k( 368) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0025840 k( 369) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0025840 k( 370) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0025840 k( 371) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0025840 k( 372) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0025840 k( 373) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025840 k( 374) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0025840 k( 375) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0025840 k( 376) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0025840 k( 377) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0025840 k( 378) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0025840 k( 379) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0025840 k( 380) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0025840 k( 381) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0025840 k( 382) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0025840 k( 383) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0025840 k( 384) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0025840 k( 385) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0025840 k( 386) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0025840 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 Dense grid: 72455 G-vectors FFT dimensions: ( 60, 60, 48) Smooth grid: 20099 G-vectors FFT dimensions: ( 36, 36, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 148, 52) NL pseudopotentials 0.15 Mb ( 74, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2012) G-vector shells 0.01 Mb ( 973) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 148, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./InCuPt2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.3 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.1 secs Computing kpt #: 23 total cpu time spent up to now is 12.6 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.2 secs Computing kpt #: 28 total cpu time spent up to now is 14.7 secs Computing kpt #: 29 total cpu time spent up to now is 15.1 secs Computing kpt #: 30 total cpu time spent up to now is 15.6 secs Computing kpt #: 31 total cpu time spent up to now is 16.0 secs Computing kpt #: 32 total cpu time spent up to now is 16.5 secs Computing kpt #: 33 total cpu time spent up to now is 16.9 secs Computing kpt #: 34 total cpu time spent up to now is 17.3 secs Computing kpt #: 35 total cpu time spent up to now is 17.6 secs Computing kpt #: 36 total cpu time spent up to now is 18.0 secs Computing kpt #: 37 total cpu time spent up to now is 18.4 secs Computing kpt #: 38 total cpu time spent up to now is 18.7 secs Computing kpt #: 39 total cpu time spent up to now is 19.1 secs Computing kpt #: 40 total cpu time spent up to now is 19.4 secs Computing kpt #: 41 total cpu time spent up to now is 19.8 secs Computing kpt #: 42 total cpu time spent up to now is 20.3 secs Computing kpt #: 43 total cpu time spent up to now is 20.9 secs Computing kpt #: 44 total cpu time spent up to now is 21.3 secs Computing kpt #: 45 total cpu time spent up to now is 21.9 secs Computing kpt #: 46 total cpu time spent up to now is 22.4 secs Computing kpt #: 47 total cpu time spent up to now is 22.8 secs Computing kpt #: 48 total cpu time spent up to now is 23.3 secs Computing kpt #: 49 total cpu time spent up to now is 23.6 secs Computing kpt #: 50 total cpu time spent up to now is 24.0 secs Computing kpt #: 51 total cpu time spent up to now is 24.4 secs Computing kpt #: 52 total cpu time spent up to now is 24.8 secs Computing kpt #: 53 total cpu time spent up to now is 25.2 secs Computing kpt #: 54 total cpu time spent up to now is 25.6 secs Computing kpt #: 55 total cpu time spent up to now is 26.0 secs Computing kpt #: 56 total cpu time spent up to now is 26.5 secs Computing kpt #: 57 total cpu time spent up to now is 26.9 secs Computing kpt #: 58 total cpu time spent up to now is 27.5 secs Computing kpt #: 59 total cpu time spent up to now is 28.1 secs Computing kpt #: 60 total cpu time spent up to now is 28.7 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.4 secs Computing kpt #: 64 total cpu time spent up to now is 30.9 secs Computing kpt #: 65 total cpu time spent up to now is 31.4 secs Computing kpt #: 66 total cpu time spent up to now is 31.9 secs Computing kpt #: 67 total cpu time spent up to now is 32.4 secs Computing kpt #: 68 total cpu time spent up to now is 32.8 secs Computing kpt #: 69 total cpu time spent up to now is 33.3 secs Computing kpt #: 70 total cpu time spent up to now is 33.7 secs Computing kpt #: 71 total cpu time spent up to now is 34.2 secs Computing kpt #: 72 total cpu time spent up to now is 34.7 secs Computing kpt #: 73 total cpu time spent up to now is 35.2 secs Computing kpt #: 74 total cpu time spent up to now is 35.7 secs Computing kpt #: 75 total cpu time spent up to now is 36.3 secs Computing kpt #: 76 total cpu time spent up to now is 36.8 secs Computing kpt #: 77 total cpu time spent up to now is 37.4 secs Computing kpt #: 78 total cpu time spent up to now is 38.0 secs Computing kpt #: 79 total cpu time spent up to now is 38.6 secs Computing kpt #: 80 total cpu time spent up to now is 39.1 secs Computing kpt #: 81 total cpu time spent up to now is 39.6 secs Computing kpt #: 82 total cpu time spent up to now is 40.1 secs Computing kpt #: 83 total cpu time spent up to now is 40.5 secs Computing kpt #: 84 total cpu time spent up to now is 41.0 secs Computing kpt #: 85 total cpu time spent up to now is 41.4 secs Computing kpt #: 86 total cpu time spent up to now is 41.9 secs Computing kpt #: 87 total cpu time spent up to now is 42.3 secs Computing kpt #: 88 total cpu time spent up to now is 42.8 secs Computing kpt #: 89 total cpu time spent up to now is 43.2 secs Computing kpt #: 90 total cpu time spent up to now is 43.6 secs Computing kpt #: 91 total cpu time spent up to now is 44.1 secs Computing kpt #: 92 total cpu time spent up to now is 44.5 secs Computing kpt #: 93 total cpu time spent up to now is 44.9 secs Computing kpt #: 94 total cpu time spent up to now is 45.4 secs Computing kpt #: 95 total cpu time spent up to now is 45.9 secs Computing kpt #: 96 total cpu time spent up to now is 46.4 secs Computing kpt #: 97 total cpu time spent up to now is 46.9 secs Computing kpt #: 98 total cpu time spent up to now is 47.5 secs Computing kpt #: 99 total cpu time spent up to now is 48.2 secs Computing kpt #: 100 total cpu time spent up to now is 49.2 secs Computing kpt #: 101 total cpu time spent up to now is 49.9 secs Computing kpt #: 102 total cpu time spent up to now is 50.6 secs Computing kpt #: 103 total cpu time spent up to now is 51.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.0 secs Computing kpt #: 105 total cpu time spent up to now is 52.7 secs Computing kpt #: 106 total cpu time spent up to now is 53.4 secs Computing kpt #: 107 total cpu time spent up to now is 54.0 secs Computing kpt #: 108 total cpu time spent up to now is 54.5 secs Computing kpt #: 109 total cpu time spent up to now is 55.1 secs Computing kpt #: 110 total cpu time spent up to now is 55.6 secs Computing kpt #: 111 total cpu time spent up to now is 56.2 secs Computing kpt #: 112 total cpu time spent up to now is 56.7 secs Computing kpt #: 113 total cpu time spent up to now is 57.1 secs Computing kpt #: 114 total cpu time spent up to now is 57.6 secs Computing kpt #: 115 total cpu time spent up to now is 58.1 secs Computing kpt #: 116 total cpu time spent up to now is 58.5 secs Computing kpt #: 117 total cpu time spent up to now is 58.9 secs Computing kpt #: 118 total cpu time spent up to now is 59.3 secs Computing kpt #: 119 total cpu time spent up to now is 59.6 secs Computing kpt #: 120 total cpu time spent up to now is 60.0 secs Computing kpt #: 121 total cpu time spent up to now is 60.3 secs Computing kpt #: 122 total cpu time spent up to now is 60.6 secs Computing kpt #: 123 total cpu time spent up to now is 60.9 secs Computing kpt #: 124 total cpu time spent up to now is 61.2 secs Computing kpt #: 125 total cpu time spent up to now is 61.5 secs Computing kpt #: 126 total cpu time spent up to now is 61.8 secs Computing kpt #: 127 total cpu time spent up to now is 62.2 secs Computing kpt #: 128 total cpu time spent up to now is 62.5 secs Computing kpt #: 129 total cpu time spent up to now is 62.8 secs Computing kpt #: 130 total cpu time spent up to now is 63.1 secs Computing kpt #: 131 total cpu time spent up to now is 63.4 secs Computing kpt #: 132 total cpu time spent up to now is 63.6 secs Computing kpt #: 133 total cpu time spent up to now is 63.9 secs Computing kpt #: 134 total cpu time spent up to now is 64.2 secs Computing kpt #: 135 total cpu time spent up to now is 64.5 secs Computing kpt #: 136 total cpu time spent up to now is 64.8 secs Computing kpt #: 137 total cpu time spent up to now is 65.1 secs Computing kpt #: 138 total cpu time spent up to now is 65.4 secs Computing kpt #: 139 total cpu time spent up to now is 65.7 secs Computing kpt #: 140 total cpu time spent up to now is 66.0 secs Computing kpt #: 141 total cpu time spent up to now is 66.3 secs Computing kpt #: 142 total cpu time spent up to now is 66.6 secs Computing kpt #: 143 total cpu time spent up to now is 66.9 secs Computing kpt #: 144 total cpu time spent up to now is 67.2 secs Computing kpt #: 145 total cpu time spent up to now is 67.5 secs Computing kpt #: 146 total cpu time spent up to now is 67.8 secs Computing kpt #: 147 total cpu time spent up to now is 68.1 secs Computing kpt #: 148 total cpu time spent up to now is 68.4 secs Computing kpt #: 149 total cpu time spent up to now is 68.7 secs Computing kpt #: 150 total cpu time spent up to now is 69.0 secs Computing kpt #: 151 total cpu time spent up to now is 69.3 secs Computing kpt #: 152 total cpu time spent up to now is 69.6 secs Computing kpt #: 153 total cpu time spent up to now is 69.9 secs Computing kpt #: 154 total cpu time spent up to now is 70.2 secs Computing kpt #: 155 total cpu time spent up to now is 70.5 secs Computing kpt #: 156 total cpu time spent up to now is 70.9 secs Computing kpt #: 157 total cpu time spent up to now is 71.2 secs Computing kpt #: 158 total cpu time spent up to now is 71.5 secs Computing kpt #: 159 total cpu time spent up to now is 71.8 secs Computing kpt #: 160 total cpu time spent up to now is 72.2 secs Computing kpt #: 161 total cpu time spent up to now is 72.5 secs Computing kpt #: 162 total cpu time spent up to now is 72.8 secs Computing kpt #: 163 total cpu time spent up to now is 73.2 secs Computing kpt #: 164 total cpu time spent up to now is 73.5 secs Computing kpt #: 165 total cpu time spent up to now is 73.9 secs Computing kpt #: 166 total cpu time spent up to now is 74.3 secs Computing kpt #: 167 total cpu time spent up to now is 74.7 secs Computing kpt #: 168 total cpu time spent up to now is 75.1 secs Computing kpt #: 169 total cpu time spent up to now is 75.5 secs Computing kpt #: 170 total cpu time spent up to now is 76.0 secs Computing kpt #: 171 total cpu time spent up to now is 76.5 secs Computing kpt #: 172 total cpu time spent up to now is 77.1 secs Computing kpt #: 173 total cpu time spent up to now is 77.6 secs Computing kpt #: 174 total cpu time spent up to now is 78.1 secs Computing kpt #: 175 total cpu time spent up to now is 78.8 secs Computing kpt #: 176 total cpu time spent up to now is 79.3 secs Computing kpt #: 177 total cpu time spent up to now is 79.9 secs Computing kpt #: 178 total cpu time spent up to now is 80.3 secs Computing kpt #: 179 total cpu time spent up to now is 80.8 secs Computing kpt #: 180 total cpu time spent up to now is 81.2 secs Computing kpt #: 181 total cpu time spent up to now is 81.7 secs Computing kpt #: 182 total cpu time spent up to now is 82.1 secs Computing kpt #: 183 total cpu time spent up to now is 82.6 secs Computing kpt #: 184 total cpu time spent up to now is 83.1 secs Computing kpt #: 185 total cpu time spent up to now is 83.7 secs Computing kpt #: 186 total cpu time spent up to now is 84.3 secs Computing kpt #: 187 total cpu time spent up to now is 84.9 secs Computing kpt #: 188 total cpu time spent up to now is 85.4 secs Computing kpt #: 189 total cpu time spent up to now is 85.9 secs Computing kpt #: 190 total cpu time spent up to now is 86.5 secs Computing kpt #: 191 total cpu time spent up to now is 87.2 secs Computing kpt #: 192 total cpu time spent up to now is 87.8 secs Computing kpt #: 193 total cpu time spent up to now is 88.6 secs Computing kpt #: 194 total cpu time spent up to now is 89.5 secs Computing kpt #: 195 total cpu time spent up to now is 90.5 secs Computing kpt #: 196 total cpu time spent up to now is 91.1 secs Computing kpt #: 197 total cpu time spent up to now is 91.8 secs Computing kpt #: 198 total cpu time spent up to now is 92.3 secs Computing kpt #: 199 total cpu time spent up to now is 92.8 secs Computing kpt #: 200 total cpu time spent up to now is 93.3 secs Computing kpt #: 201 total cpu time spent up to now is 93.9 secs Computing kpt #: 202 total cpu time spent up to now is 94.5 secs Computing kpt #: 203 total cpu time spent up to now is 95.1 secs Computing kpt #: 204 total cpu time spent up to now is 95.7 secs Computing kpt #: 205 total cpu time spent up to now is 96.2 secs Computing kpt #: 206 total cpu time spent up to now is 96.8 secs Computing kpt #: 207 total cpu time spent up to now is 97.4 secs Computing kpt #: 208 total cpu time spent up to now is 98.0 secs Computing kpt #: 209 total cpu time spent up to now is 98.5 secs Computing kpt #: 210 total cpu time spent up to now is 98.9 secs Computing kpt #: 211 total cpu time spent up to now is 99.3 secs Computing kpt #: 212 total cpu time spent up to now is 99.8 secs Computing kpt #: 213 total cpu time spent up to now is 100.3 secs Computing kpt #: 214 total cpu time spent up to now is 100.8 secs Computing kpt #: 215 total cpu time spent up to now is 101.4 secs Computing kpt #: 216 total cpu time spent up to now is 102.0 secs Computing kpt #: 217 total cpu time spent up to now is 103.0 secs Computing kpt #: 218 total cpu time spent up to now is 103.7 secs Computing kpt #: 219 total cpu time spent up to now is 104.4 secs Computing kpt #: 220 total cpu time spent up to now is 105.1 secs Computing kpt #: 221 total cpu time spent up to now is 105.6 secs Computing kpt #: 222 total cpu time spent up to now is 106.1 secs Computing kpt #: 223 total cpu time spent up to now is 106.6 secs Computing kpt #: 224 total cpu time spent up to now is 107.1 secs Computing kpt #: 225 total cpu time spent up to now is 107.6 secs Computing kpt #: 226 total cpu time spent up to now is 108.1 secs Computing kpt #: 227 total cpu time spent up to now is 108.5 secs Computing kpt #: 228 total cpu time spent up to now is 108.8 secs Computing kpt #: 229 total cpu time spent up to now is 109.2 secs Computing kpt #: 230 total cpu time spent up to now is 109.6 secs Computing kpt #: 231 total cpu time spent up to now is 110.0 secs Computing kpt #: 232 total cpu time spent up to now is 110.3 secs Computing kpt #: 233 total cpu time spent up to now is 110.7 secs Computing kpt #: 234 total cpu time spent up to now is 111.1 secs Computing kpt #: 235 total cpu time spent up to now is 111.5 secs Computing kpt #: 236 total cpu time spent up to now is 111.9 secs Computing kpt #: 237 total cpu time spent up to now is 112.3 secs Computing kpt #: 238 total cpu time spent up to now is 112.7 secs Computing kpt #: 239 total cpu time spent up to now is 113.2 secs Computing kpt #: 240 total cpu time spent up to now is 113.6 secs Computing kpt #: 241 total cpu time spent up to now is 114.0 secs Computing kpt #: 242 total cpu time spent up to now is 114.4 secs Computing kpt #: 243 total cpu time spent up to now is 114.8 secs Computing kpt #: 244 total cpu time spent up to now is 115.2 secs Computing kpt #: 245 total cpu time spent up to now is 115.6 secs Computing kpt #: 246 total cpu time spent up to now is 116.0 secs Computing kpt #: 247 total cpu time spent up to now is 116.5 secs Computing kpt #: 248 total cpu time spent up to now is 116.8 secs Computing kpt #: 249 total cpu time spent up to now is 117.2 secs Computing kpt #: 250 total cpu time spent up to now is 117.6 secs Computing kpt #: 251 total cpu time spent up to now is 118.0 secs Computing kpt #: 252 total cpu time spent up to now is 118.4 secs Computing kpt #: 253 total cpu time spent up to now is 118.8 secs Computing kpt #: 254 total cpu time spent up to now is 119.2 secs Computing kpt #: 255 total cpu time spent up to now is 119.6 secs Computing kpt #: 256 total cpu time spent up to now is 120.0 secs Computing kpt #: 257 total cpu time spent up to now is 120.4 secs Computing kpt #: 258 total cpu time spent up to now is 120.8 secs Computing kpt #: 259 total cpu time spent up to now is 121.2 secs Computing kpt #: 260 total cpu time spent up to now is 121.6 secs Computing kpt #: 261 total cpu time spent up to now is 121.9 secs Computing kpt #: 262 total cpu time spent up to now is 122.3 secs Computing kpt #: 263 total cpu time spent up to now is 122.6 secs Computing kpt #: 264 total cpu time spent up to now is 123.0 secs Computing kpt #: 265 total cpu time spent up to now is 123.3 secs Computing kpt #: 266 total cpu time spent up to now is 123.7 secs Computing kpt #: 267 total cpu time spent up to now is 124.0 secs Computing kpt #: 268 total cpu time spent up to now is 124.3 secs Computing kpt #: 269 total cpu time spent up to now is 124.6 secs Computing kpt #: 270 total cpu time spent up to now is 125.0 secs Computing kpt #: 271 total cpu time spent up to now is 125.3 secs Computing kpt #: 272 total cpu time spent up to now is 125.6 secs Computing kpt #: 273 total cpu time spent up to now is 125.9 secs Computing kpt #: 274 total cpu time spent up to now is 126.2 secs Computing kpt #: 275 total cpu time spent up to now is 126.5 secs Computing kpt #: 276 total cpu time spent up to now is 126.8 secs Computing kpt #: 277 total cpu time spent up to now is 127.1 secs Computing kpt #: 278 total cpu time spent up to now is 127.4 secs Computing kpt #: 279 total cpu time spent up to now is 127.7 secs Computing kpt #: 280 total cpu time spent up to now is 128.0 secs Computing kpt #: 281 total cpu time spent up to now is 128.3 secs Computing kpt #: 282 total cpu time spent up to now is 128.6 secs Computing kpt #: 283 total cpu time spent up to now is 128.9 secs Computing kpt #: 284 total cpu time spent up to now is 129.2 secs Computing kpt #: 285 total cpu time spent up to now is 129.6 secs Computing kpt #: 286 total cpu time spent up to now is 129.9 secs Computing kpt #: 287 total cpu time spent up to now is 130.2 secs Computing kpt #: 288 total cpu time spent up to now is 130.5 secs Computing kpt #: 289 total cpu time spent up to now is 130.8 secs Computing kpt #: 290 total cpu time spent up to now is 131.1 secs Computing kpt #: 291 total cpu time spent up to now is 131.5 secs Computing kpt #: 292 total cpu time spent up to now is 131.8 secs Computing kpt #: 293 total cpu time spent up to now is 132.2 secs Computing kpt #: 294 total cpu time spent up to now is 132.6 secs Computing kpt #: 295 total cpu time spent up to now is 133.0 secs Computing kpt #: 296 total cpu time spent up to now is 133.4 secs Computing kpt #: 297 total cpu time spent up to now is 133.9 secs Computing kpt #: 298 total cpu time spent up to now is 134.4 secs Computing kpt #: 299 total cpu time spent up to now is 135.4 secs Computing kpt #: 300 total cpu time spent up to now is 136.0 secs Computing kpt #: 301 total cpu time spent up to now is 136.4 secs Computing kpt #: 302 total cpu time spent up to now is 136.8 secs Computing kpt #: 303 total cpu time spent up to now is 137.1 secs Computing kpt #: 304 total cpu time spent up to now is 137.5 secs Computing kpt #: 305 total cpu time spent up to now is 137.9 secs Computing kpt #: 306 total cpu time spent up to now is 138.3 secs Computing kpt #: 307 total cpu time spent up to now is 138.7 secs Computing kpt #: 308 total cpu time spent up to now is 139.1 secs Computing kpt #: 309 total cpu time spent up to now is 139.5 secs Computing kpt #: 310 total cpu time spent up to now is 139.9 secs Computing kpt #: 311 total cpu time spent up to now is 140.4 secs Computing kpt #: 312 total cpu time spent up to now is 140.9 secs Computing kpt #: 313 total cpu time spent up to now is 141.4 secs Computing kpt #: 314 total cpu time spent up to now is 141.8 secs Computing kpt #: 315 total cpu time spent up to now is 142.6 secs Computing kpt #: 316 total cpu time spent up to now is 143.6 secs Computing kpt #: 317 total cpu time spent up to now is 144.0 secs Computing kpt #: 318 total cpu time spent up to now is 144.4 secs Computing kpt #: 319 total cpu time spent up to now is 144.8 secs Computing kpt #: 320 total cpu time spent up to now is 145.2 secs Computing kpt #: 321 total cpu time spent up to now is 145.6 secs Computing kpt #: 322 total cpu time spent up to now is 146.0 secs Computing kpt #: 323 total cpu time spent up to now is 146.4 secs Computing kpt #: 324 total cpu time spent up to now is 146.8 secs Computing kpt #: 325 total cpu time spent up to now is 147.2 secs Computing kpt #: 326 total cpu time spent up to now is 147.6 secs Computing kpt #: 327 total cpu time spent up to now is 147.9 secs Computing kpt #: 328 total cpu time spent up to now is 148.3 secs Computing kpt #: 329 total cpu time spent up to now is 148.7 secs Computing kpt #: 330 total cpu time spent up to now is 149.2 secs Computing kpt #: 331 total cpu time spent up to now is 149.6 secs Computing kpt #: 332 total cpu time spent up to now is 150.0 secs Computing kpt #: 333 total cpu time spent up to now is 150.5 secs Computing kpt #: 334 total cpu time spent up to now is 151.0 secs Computing kpt #: 335 total cpu time spent up to now is 151.6 secs Computing kpt #: 336 total cpu time spent up to now is 152.1 secs Computing kpt #: 337 total cpu time spent up to now is 152.7 secs Computing kpt #: 338 total cpu time spent up to now is 153.3 secs Computing kpt #: 339 total cpu time spent up to now is 153.8 secs Computing kpt #: 340 total cpu time spent up to now is 154.3 secs Computing kpt #: 341 total cpu time spent up to now is 154.7 secs Computing kpt #: 342 total cpu time spent up to now is 155.1 secs Computing kpt #: 343 total cpu time spent up to now is 155.6 secs Computing kpt #: 344 total cpu time spent up to now is 156.0 secs Computing kpt #: 345 total cpu time spent up to now is 156.6 secs Computing kpt #: 346 total cpu time spent up to now is 157.2 secs Computing kpt #: 347 total cpu time spent up to now is 157.9 secs Computing kpt #: 348 total cpu time spent up to now is 158.6 secs Computing kpt #: 349 total cpu time spent up to now is 159.2 secs Computing kpt #: 350 total cpu time spent up to now is 159.8 secs Computing kpt #: 351 total cpu time spent up to now is 160.4 secs Computing kpt #: 352 total cpu time spent up to now is 161.0 secs Computing kpt #: 353 total cpu time spent up to now is 161.6 secs Computing kpt #: 354 total cpu time spent up to now is 162.2 secs Computing kpt #: 355 total cpu time spent up to now is 162.8 secs Computing kpt #: 356 total cpu time spent up to now is 163.4 secs Computing kpt #: 357 total cpu time spent up to now is 164.0 secs Computing kpt #: 358 total cpu time spent up to now is 164.6 secs Computing kpt #: 359 total cpu time spent up to now is 165.1 secs Computing kpt #: 360 total cpu time spent up to now is 165.7 secs Computing kpt #: 361 total cpu time spent up to now is 166.2 secs Computing kpt #: 362 total cpu time spent up to now is 166.6 secs Computing kpt #: 363 total cpu time spent up to now is 167.1 secs Computing kpt #: 364 total cpu time spent up to now is 167.5 secs Computing kpt #: 365 total cpu time spent up to now is 168.0 secs Computing kpt #: 366 total cpu time spent up to now is 168.4 secs Computing kpt #: 367 total cpu time spent up to now is 168.9 secs Computing kpt #: 368 total cpu time spent up to now is 169.4 secs Computing kpt #: 369 total cpu time spent up to now is 169.8 secs Computing kpt #: 370 total cpu time spent up to now is 170.3 secs Computing kpt #: 371 total cpu time spent up to now is 170.7 secs Computing kpt #: 372 total cpu time spent up to now is 171.2 secs Computing kpt #: 373 total cpu time spent up to now is 171.6 secs Computing kpt #: 374 total cpu time spent up to now is 172.1 secs Computing kpt #: 375 total cpu time spent up to now is 172.5 secs Computing kpt #: 376 total cpu time spent up to now is 172.9 secs Computing kpt #: 377 total cpu time spent up to now is 173.4 secs Computing kpt #: 378 total cpu time spent up to now is 173.8 secs Computing kpt #: 379 total cpu time spent up to now is 174.2 secs Computing kpt #: 380 total cpu time spent up to now is 174.6 secs Computing kpt #: 381 total cpu time spent up to now is 174.9 secs Computing kpt #: 382 total cpu time spent up to now is 175.3 secs Computing kpt #: 383 total cpu time spent up to now is 175.7 secs Computing kpt #: 384 total cpu time spent up to now is 176.1 secs Computing kpt #: 385 total cpu time spent up to now is 176.4 secs Computing kpt #: 386 total cpu time spent up to now is 176.8 secs Computing kpt #: 387 total cpu time spent up to now is 177.1 secs ethr = 2.27E-08, avg # of iterations = 30.0 total cpu time spent up to now is 177.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2511 PWs) bands (ev): -1.8367 -1.8367 -1.8100 -1.8100 -1.0142 -1.0142 -0.9950 -0.9950 -0.9466 -0.9466 3.6256 3.6256 7.8712 7.8712 8.7095 8.7095 8.8317 8.8317 9.0416 9.0416 9.5904 9.5904 9.5985 9.5985 10.8884 10.8884 10.9561 10.9561 11.2233 11.2233 11.6012 11.6012 11.6031 11.6031 12.1392 12.1392 12.1556 12.1556 12.3658 12.3658 12.5027 12.5027 12.7580 12.7580 12.8166 12.8166 15.0623 15.0623 16.7226 16.7226 17.2086 17.2086 k = 0.0000 0.0135-0.0000 ( 2507 PWs) bands (ev): -1.8366 -1.8366 -1.8099 -1.8099 -1.0141 -1.0141 -0.9949 -0.9949 -0.9466 -0.9466 3.6273 3.6273 7.8720 7.8720 8.7101 8.7101 8.8322 8.8322 9.0412 9.0412 9.5901 9.5901 9.5989 9.5989 10.8873 10.8873 10.9550 10.9550 11.2227 11.2227 11.5995 11.5995 11.6026 11.6026 12.1379 12.1379 12.1500 12.1500 12.3567 12.3567 12.5018 12.5018 12.7356 12.7356 12.8458 12.8458 15.0676 15.0676 16.7293 16.7293 17.2145 17.2145 k = 0.0000 0.0270-0.0000 ( 2507 PWs) bands (ev): -1.8365 -1.8365 -1.8097 -1.8097 -1.0139 -1.0139 -0.9947 -0.9947 -0.9465 -0.9465 3.6323 3.6323 7.8742 7.8742 8.7119 8.7119 8.8337 8.8337 9.0401 9.0401 9.5893 9.5893 9.6000 9.6000 10.8840 10.8840 10.9515 10.9515 11.2207 11.2207 11.5942 11.5942 11.6013 11.6013 12.1288 12.1288 12.1375 12.1375 12.3343 12.3343 12.4973 12.4973 12.6997 12.6997 12.9005 12.9005 15.0833 15.0833 16.7480 16.7480 17.2332 17.2332 k = 0.0000 0.0405-0.0000 ( 2511 PWs) bands (ev): -1.8363 -1.8363 -1.8096 -1.8096 -1.0137 -1.0137 -0.9944 -0.9944 -0.9464 -0.9464 3.6406 3.6406 7.8777 7.8777 8.7148 8.7148 8.8360 8.8360 9.0383 9.0383 9.5878 9.5878 9.6018 9.6018 10.8783 10.8783 10.9458 10.9458 11.2174 11.2174 11.5851 11.5851 11.5992 11.5992 12.0978 12.0978 12.1309 12.1309 12.3078 12.3078 12.4863 12.4863 12.6615 12.6615 12.9662 12.9662 15.1093 15.1093 16.7748 16.7748 17.2676 17.2676 k = 0.0000 0.0541-0.0000 ( 2511 PWs) bands (ev): -1.8360 -1.8360 -1.8093 -1.8093 -1.0133 -1.0133 -0.9939 -0.9939 -0.9463 -0.9463 3.6522 3.6522 7.8826 7.8826 8.7189 8.7189 8.8391 8.8391 9.0357 9.0357 9.5858 9.5858 9.6045 9.6045 10.8699 10.8699 10.9383 10.9383 11.2129 11.2129 11.5722 11.5722 11.5961 11.5961 12.0519 12.0519 12.1232 12.1232 12.2831 12.2831 12.4666 12.4666 12.6225 12.6225 13.0396 13.0396 15.1452 15.1452 16.8043 16.8043 17.3215 17.3215 k = 0.0000 0.0676-0.0000 ( 2515 PWs) bands (ev): -1.8356 -1.8356 -1.8089 -1.8089 -1.0128 -1.0128 -0.9932 -0.9932 -0.9462 -0.9462 3.6672 3.6672 7.8887 7.8887 8.7241 8.7241 8.8429 8.8429 9.0325 9.0325 9.5832 9.5832 9.6078 9.6078 10.8584 10.8584 10.9293 10.9293 11.2070 11.2070 11.5551 11.5551 11.5921 11.5921 11.9953 11.9953 12.1134 12.1134 12.2617 12.2617 12.4369 12.4369 12.5849 12.5849 13.1186 13.1186 15.1905 15.1905 16.8309 16.8309 17.3985 17.3985 k = 0.0000 0.0811-0.0000 ( 2519 PWs) bands (ev): -1.8352 -1.8352 -1.8085 -1.8085 -1.0122 -1.0122 -0.9924 -0.9924 -0.9460 -0.9460 3.6855 3.6855 7.8959 7.8959 8.7305 8.7305 8.8469 8.8469 9.0289 9.0289 9.5800 9.5800 9.6119 9.6119 10.8436 10.8436 10.9192 10.9192 11.1999 11.1999 11.5333 11.5333 11.5869 11.5869 11.9325 11.9325 12.1013 12.1013 12.2424 12.2424 12.3966 12.3966 12.5508 12.5508 13.2018 13.2018 15.2449 15.2449 16.8514 16.8514 17.4997 17.4997 k = 0.0000 0.0946-0.0000 ( 2525 PWs) bands (ev): -1.8346 -1.8346 -1.8079 -1.8079 -1.0117 -1.0117 -0.9914 -0.9914 -0.9458 -0.9458 3.7070 3.7070 7.9039 7.9039 8.7380 8.7380 8.8509 8.8509 9.0250 9.0250 9.5763 9.5763 9.6166 9.6166 10.8251 10.8251 10.9082 10.9082 11.1914 11.1914 11.5058 11.5058 11.5803 11.5803 11.8679 11.8679 12.0868 12.0868 12.2235 12.2235 12.3473 12.3473 12.5212 12.5212 13.2884 13.2884 15.3077 15.3077 16.8649 16.8649 17.6238 17.6238 k = 0.0000 0.1081-0.0000 ( 2517 PWs) bands (ev): -1.8340 -1.8340 -1.8072 -1.8072 -1.0109 -1.0109 -0.9903 -0.9903 -0.9454 -0.9454 3.7318 3.7318 7.9125 7.9125 8.7467 8.7467 8.8543 8.8543 9.0213 9.0213 9.5721 9.5721 9.6221 9.6221 10.8029 10.8029 10.8966 10.8966 11.1818 11.1818 11.4715 11.4715 11.5721 11.5721 11.8057 11.8057 12.0699 12.0699 12.2035 12.2035 12.2924 12.2924 12.4954 12.4954 13.3777 13.3777 15.3782 15.3782 16.8722 16.8722 17.7680 17.7680 k = 0.0000 0.1216-0.0000 ( 2517 PWs) bands (ev): -1.8333 -1.8333 -1.8065 -1.8065 -1.0101 -1.0101 -0.9890 -0.9890 -0.9451 -0.9451 3.7599 3.7599 7.9214 7.9214 8.7565 8.7565 8.8564 8.8564 9.0183 9.0183 9.5674 9.5674 9.6281 9.6281 10.7773 10.7773 10.8843 10.8843 11.1708 11.1708 11.4291 11.4291 11.5616 11.5616 11.7497 11.7497 12.0506 12.0506 12.1806 12.1806 12.2360 12.2360 12.4724 12.4724 13.4692 13.4692 15.4560 15.4560 16.8744 16.8744 17.9289 17.9289 k = 0.0000 0.1351-0.0000 ( 2517 PWs) bands (ev): -1.8325 -1.8325 -1.8058 -1.8058 -1.0093 -1.0093 -0.9876 -0.9876 -0.9448 -0.9448 3.7912 3.7912 7.9300 7.9300 8.7674 8.7674 8.8562 8.8562 9.0169 9.0169 9.5622 9.5622 9.6347 9.6347 10.7484 10.7484 10.8710 10.8710 11.1582 11.1582 11.3781 11.3781 11.5483 11.5483 11.7029 11.7029 12.0289 12.0289 12.1490 12.1490 12.1853 12.1853 12.4516 12.4516 13.5627 13.5627 15.5404 15.5404 16.8728 16.8728 18.1033 18.1033 k = 0.0000 0.1486-0.0000 ( 2522 PWs) bands (ev): -1.8318 -1.8318 -1.8049 -1.8049 -1.0085 -1.0085 -0.9860 -0.9860 -0.9444 -0.9444 3.8257 3.8257 7.9380 7.9380 8.7794 8.7794 8.8529 8.8529 9.0178 9.0178 9.5565 9.5565 9.6419 9.6419 10.7168 10.7168 10.8568 10.8568 11.1437 11.1437 11.3199 11.3199 11.5320 11.5320 11.6662 11.6662 12.0050 12.0050 12.1012 12.1012 12.1492 12.1492 12.4329 12.4329 13.6579 13.6579 15.6307 15.6307 16.8680 16.8680 18.2878 18.2878 k = 0.0000 0.1622-0.0000 ( 2520 PWs) bands (ev): -1.8309 -1.8309 -1.8040 -1.8040 -1.0076 -1.0076 -0.9843 -0.9843 -0.9440 -0.9440 3.8634 3.8634 7.9445 7.9445 8.7925 8.7925 8.8458 8.8458 9.0218 9.0218 9.5505 9.5505 9.6496 9.6496 10.6829 10.6829 10.8413 10.8413 11.1261 11.1261 11.2582 11.2582 11.5129 11.5129 11.6383 11.6383 11.9790 11.9790 12.0466 12.0466 12.1193 12.1193 12.4161 12.4161 13.7547 13.7547 15.7265 15.7265 16.8609 16.8609 18.4780 18.4780 k = 0.0000 0.1757-0.0000 ( 2516 PWs) bands (ev): -1.8300 -1.8300 -1.8030 -1.8030 -1.0066 -1.0066 -0.9825 -0.9825 -0.9436 -0.9436 3.9043 3.9043 7.9488 7.9488 8.8067 8.8067 8.8351 8.8351 9.0291 9.0291 9.5442 9.5442 9.6577 9.6577 10.6474 10.6474 10.8244 10.8244 11.1018 11.1018 11.1993 11.1993 11.4921 11.4921 11.6167 11.6167 11.9508 11.9508 11.9925 11.9925 12.0890 12.0890 12.4013 12.4013 13.8530 13.8530 15.8272 15.8272 16.8520 16.8520 18.6643 18.6643 k = 0.0000 0.1892-0.0000 ( 2526 PWs) bands (ev): -1.8292 -1.8292 -1.8020 -1.8020 -1.0058 -1.0058 -0.9807 -0.9807 -0.9432 -0.9432 3.9482 3.9482 7.9497 7.9497 8.8213 8.8213 8.8219 8.8219 9.0394 9.0394 9.5376 9.5376 9.6662 9.6662 10.6110 10.6110 10.8058 10.8058 11.0636 11.0636 11.1533 11.1533 11.4704 11.4704 11.5987 11.5987 11.9202 11.9202 11.9413 11.9413 12.0570 12.0570 12.3882 12.3882 13.9527 13.9527 15.9323 15.9323 16.8415 16.8415 18.8127 18.8127 k = 0.0000 0.2027-0.0000 ( 2528 PWs) bands (ev): -1.8283 -1.8283 -1.8010 -1.8010 -1.0048 -1.0048 -0.9787 -0.9787 -0.9428 -0.9428 3.9952 3.9952 7.9461 7.9461 8.8056 8.8056 8.8381 8.8381 9.0524 9.0524 9.5309 9.5309 9.6750 9.6750 10.5744 10.5744 10.7852 10.7852 11.0102 11.0102 11.1238 11.1238 11.4487 11.4487 11.5822 11.5822 11.8838 11.8838 11.8975 11.8975 12.0231 12.0231 12.3768 12.3768 14.0536 14.0536 16.0412 16.0412 16.8299 16.8299 18.8461 18.8461 k = 0.0000 0.2162-0.0000 ( 2530 PWs) bands (ev): -1.8274 -1.8274 -1.7999 -1.7999 -1.0039 -1.0039 -0.9766 -0.9766 -0.9423 -0.9423 4.0452 4.0452 7.9364 7.9364 8.7894 8.7894 8.8553 8.8553 9.0676 9.0676 9.5242 9.5242 9.6841 9.6841 10.5383 10.5383 10.7619 10.7619 10.9510 10.9510 11.1032 11.1032 11.4274 11.4274 11.5658 11.5658 11.8406 11.8406 11.8627 11.8627 11.9875 11.9875 12.3668 12.3668 14.1557 14.1557 16.1534 16.1534 16.8176 16.8176 18.7987 18.7987 k = 0.0000 0.2297-0.0000 ( 2526 PWs) bands (ev): -1.8265 -1.8265 -1.7987 -1.7987 -1.0030 -1.0030 -0.9745 -0.9745 -0.9418 -0.9418 4.0981 4.0981 7.9194 7.9194 8.7743 8.7743 8.8735 8.8735 9.0847 9.0847 9.5175 9.5175 9.6934 9.6934 10.5036 10.5036 10.7351 10.7351 10.8933 10.8933 11.0863 11.0863 11.4067 11.4067 11.5485 11.5485 11.7980 11.7980 11.8300 11.8300 11.9505 11.9505 12.3580 12.3580 14.2590 14.2590 16.2682 16.2682 16.8049 16.8049 18.7324 18.7324 k = 0.0000 0.2432-0.0000 ( 2522 PWs) bands (ev): -1.8255 -1.8255 -1.7975 -1.7975 -1.0020 -1.0020 -0.9722 -0.9722 -0.9413 -0.9413 4.1539 4.1539 7.8935 7.8935 8.7618 8.7618 8.8927 8.8927 9.1032 9.1032 9.5111 9.5111 9.7028 9.7028 10.4707 10.4707 10.7036 10.7036 10.8408 10.8408 11.0713 11.0713 11.3867 11.3867 11.5294 11.5294 11.7578 11.7578 11.7981 11.7981 11.9125 11.9125 12.3504 12.3504 14.3633 14.3633 16.3847 16.3847 16.7926 16.7926 18.6630 18.6630 k = 0.0000 0.2568-0.0000 ( 2522 PWs) bands (ev): -1.8246 -1.8246 -1.7963 -1.7963 -1.0011 -1.0011 -0.9700 -0.9700 -0.9408 -0.9408 4.2125 4.2125 7.8577 7.8577 8.7532 8.7532 8.9127 8.9127 9.1228 9.1228 9.5050 9.5050 9.7123 9.7123 10.4400 10.4400 10.6661 10.6661 10.7957 10.7957 11.0577 11.0577 11.3671 11.3671 11.5084 11.5084 11.7196 11.7196 11.7674 11.7674 11.8739 11.8739 12.3437 12.3437 14.4685 14.4685 16.5007 16.5007 16.7825 16.7825 18.5949 18.5949 k = 0.0000 0.2703-0.0000 ( 2522 PWs) bands (ev): -1.8238 -1.8238 -1.7951 -1.7951 -1.0003 -1.0003 -0.9678 -0.9678 -0.9403 -0.9403 4.2737 4.2737 7.8117 7.8117 8.7494 8.7494 8.9336 8.9336 9.1433 9.1433 9.4994 9.4994 9.7217 9.7217 10.4116 10.4116 10.6235 10.6235 10.7584 10.7584 11.0453 11.0453 11.3480 11.3480 11.4854 11.4854 11.6825 11.6825 11.7383 11.7383 11.8358 11.8358 12.3378 12.3378 14.5746 14.5746 16.6094 16.6094 16.7811 16.7811 18.5296 18.5296 k = 0.0000 0.2838-0.0000 ( 2522 PWs) bands (ev): -1.8229 -1.8229 -1.7939 -1.7939 -0.9994 -0.9994 -0.9656 -0.9656 -0.9398 -0.9398 4.3375 4.3375 7.7555 7.7555 8.7507 8.7507 8.9552 8.9552 9.1644 9.1644 9.4945 9.4945 9.7311 9.7311 10.3850 10.3850 10.5780 10.5780 10.7272 10.7272 11.0341 11.0341 11.3291 11.3291 11.4610 11.4610 11.6455 11.6455 11.7105 11.7105 11.7993 11.7993 12.3326 12.3326 14.6815 14.6815 16.6814 16.6814 16.8174 16.8174 18.4679 18.4679 k = 0.0000 0.2973-0.0000 ( 2522 PWs) bands (ev): -1.8221 -1.8221 -1.7927 -1.7927 -0.9986 -0.9986 -0.9634 -0.9634 -0.9393 -0.9393 4.4036 4.4036 7.6899 7.6899 8.7569 8.7569 8.9776 8.9776 9.1859 9.1859 9.4905 9.4905 9.7403 9.7403 10.3593 10.3593 10.5326 10.5326 10.7002 10.7002 11.0241 11.0241 11.3101 11.3101 11.4359 11.4359 11.6081 11.6081 11.6824 11.6824 11.7664 11.7664 12.3279 12.3279 14.7890 14.7890 16.6950 16.6950 16.9126 16.9126 18.4105 18.4105 k = 0.0000 0.3108-0.0000 ( 2524 PWs) bands (ev): -1.8214 -1.8214 -1.7915 -1.7915 -0.9978 -0.9978 -0.9612 -0.9612 -0.9389 -0.9389 4.4720 4.4720 7.6159 7.6159 8.7676 8.7676 9.0006 9.0006 9.2075 9.2075 9.4874 9.4874 9.7492 9.7492 10.3328 10.3328 10.4905 10.4905 10.6763 10.6763 11.0154 11.0154 11.2908 11.2908 11.4110 11.4110 11.5704 11.5704 11.6517 11.6517 11.7393 11.7393 12.3238 12.3238 14.8970 14.8970 16.6879 16.6879 17.0283 17.0283 18.3577 18.3577 k = 0.0000 0.3243-0.0000 ( 2514 PWs) bands (ev): -1.8206 -1.8206 -1.7903 -1.7903 -0.9970 -0.9970 -0.9591 -0.9591 -0.9383 -0.9383 4.5423 4.5423 7.5350 7.5350 8.7818 8.7818 9.0241 9.0241 9.2290 9.2290 9.4857 9.4857 9.7579 9.7579 10.3033 10.3033 10.4544 10.4544 10.6547 10.6547 11.0081 11.0081 11.2710 11.2710 11.3871 11.3871 11.5327 11.5327 11.6172 11.6172 11.7188 11.7188 12.3202 12.3202 15.0053 15.0053 16.6758 16.6758 17.1477 17.1477 18.3101 18.3101 k = 0.0000 0.3378-0.0000 ( 2514 PWs) bands (ev): -1.8199 -1.8199 -1.7891 -1.7891 -0.9963 -0.9963 -0.9571 -0.9571 -0.9379 -0.9379 4.6144 4.6144 7.4487 7.4487 8.7988 8.7988 9.0479 9.0479 9.2501 9.2501 9.4856 9.4856 9.7661 9.7661 10.2689 10.2689 10.4262 10.4262 10.6353 10.6353 11.0022 11.0022 11.2508 11.2508 11.3645 11.3645 11.4953 11.4953 11.5798 11.5798 11.7038 11.7038 12.3170 12.3170 15.1137 15.1137 16.6623 16.6623 17.2653 17.2653 18.2680 18.2680 k = 0.0000 0.3514-0.0000 ( 2516 PWs) bands (ev): -1.8193 -1.8193 -1.7881 -1.7881 -0.9957 -0.9957 -0.9552 -0.9552 -0.9375 -0.9375 4.6879 4.6879 7.3583 7.3583 8.8176 8.8176 9.0718 9.0718 9.2705 9.2705 9.4874 9.4874 9.7739 9.7739 10.2296 10.2296 10.4058 10.4058 10.6181 10.6181 10.9979 10.9979 11.2301 11.2301 11.3435 11.3435 11.4588 11.4588 11.5410 11.5410 11.6926 11.6926 12.3141 12.3141 15.2219 15.2219 16.6486 16.6486 17.3773 17.3773 18.2308 18.2308 k = 0.0000 0.3649-0.0000 ( 2516 PWs) bands (ev): -1.8186 -1.8186 -1.7871 -1.7871 -0.9951 -0.9951 -0.9534 -0.9534 -0.9371 -0.9371 4.7623 4.7623 7.2655 7.2655 8.8374 8.8374 9.0954 9.0954 9.2900 9.2900 9.4914 9.4914 9.7811 9.7811 10.1866 10.1866 10.3916 10.3916 10.6031 10.6031 10.9951 10.9951 11.2096 11.2096 11.3234 11.3234 11.4240 11.4240 11.5019 11.5019 11.6841 11.6841 12.3116 12.3116 15.3296 15.3296 16.6350 16.6350 17.4780 17.4780 18.1898 18.1898 k = 0.0000 0.3784-0.0000 ( 2518 PWs) bands (ev): -1.8181 -1.8181 -1.7862 -1.7862 -0.9945 -0.9945 -0.9517 -0.9517 -0.9367 -0.9367 4.8371 4.8371 7.1716 7.1716 8.8575 8.8575 9.1185 9.1185 9.3085 9.3085 9.4980 9.4980 9.7875 9.7875 10.1417 10.1417 10.3816 10.3816 10.5904 10.5904 10.9940 10.9940 11.1897 11.1897 11.3036 11.3036 11.3917 11.3917 11.4636 11.4636 11.6775 11.6775 12.3094 12.3094 15.4363 15.4363 16.6220 16.6220 17.5583 17.5583 18.1222 18.1222 k = 0.0000 0.3919-0.0000 ( 2510 PWs) bands (ev): -1.8175 -1.8175 -1.7853 -1.7853 -0.9939 -0.9939 -0.9501 -0.9501 -0.9364 -0.9364 4.9116 4.9116 7.0782 7.0782 8.8772 8.8772 9.1405 9.1405 9.3260 9.3260 9.5073 9.5073 9.7930 9.7930 10.0962 10.0962 10.3744 10.3744 10.5802 10.5802 10.9946 10.9946 11.1713 11.1713 11.2827 11.2827 11.3632 11.3632 11.4268 11.4268 11.6723 11.6723 12.3074 12.3074 15.5414 15.5414 16.6097 16.6097 17.6051 17.6051 18.0524 18.0524 k = 0.0000 0.4054-0.0000 ( 2506 PWs) bands (ev): -1.8170 -1.8170 -1.7845 -1.7845 -0.9934 -0.9934 -0.9487 -0.9487 -0.9360 -0.9360 4.9849 4.9849 6.9869 6.9869 8.8957 8.8957 9.1608 9.1608 9.3423 9.3423 9.5197 9.5197 9.7972 9.7972 10.0512 10.0512 10.3688 10.3688 10.5724 10.5724 10.9968 10.9968 11.1547 11.1547 11.2600 11.2600 11.3388 11.3388 11.3928 11.3928 11.6682 11.6682 12.3057 12.3057 15.6440 15.6440 16.5982 16.5982 17.6074 17.6074 18.0014 18.0014 k = 0.0000 0.4189-0.0000 ( 2510 PWs) bands (ev): -1.8167 -1.8167 -1.7838 -1.7838 -0.9931 -0.9931 -0.9475 -0.9475 -0.9358 -0.9358 5.0557 5.0557 6.8994 6.8994 8.9128 8.9128 9.1789 9.1789 9.3575 9.3575 9.5350 9.5350 9.7996 9.7996 10.0078 10.0078 10.3643 10.3643 10.5667 10.5667 11.0006 11.0006 11.1407 11.1407 11.2356 11.2356 11.3171 11.3171 11.3631 11.3631 11.6648 11.6648 12.3043 12.3043 15.7428 15.7428 16.5878 16.5878 17.5692 17.5692 17.9701 17.9701 k = 0.0000 0.4324-0.0000 ( 2514 PWs) bands (ev): -1.8164 -1.8164 -1.7833 -1.7833 -0.9927 -0.9927 -0.9465 -0.9465 -0.9355 -0.9355 5.1225 5.1225 6.8178 6.8178 8.9278 8.9278 9.1944 9.1944 9.3716 9.3716 9.5533 9.5533 9.7995 9.7995 9.9672 9.9672 10.3604 10.3604 10.5630 10.5630 11.0059 11.0059 11.1296 11.1296 11.2108 11.2108 11.2955 11.2955 11.3403 11.3403 11.6622 11.6622 12.3031 12.3031 15.8363 15.8363 16.5784 16.5784 17.5077 17.5077 17.9507 17.9507 k = 0.0000 0.4459-0.0000 ( 2516 PWs) bands (ev): -1.8161 -1.8161 -1.7828 -1.7828 -0.9924 -0.9924 -0.9457 -0.9457 -0.9353 -0.9353 5.1832 5.1832 6.7446 6.7446 8.9405 8.9405 9.2069 9.2069 9.3842 9.3842 9.5743 9.5743 9.7955 9.7955 9.9315 9.9315 10.3571 10.3571 10.5608 10.5608 11.0126 11.0126 11.1215 11.1215 11.1874 11.1874 11.2727 11.2727 11.3251 11.3251 11.6602 11.6602 12.3021 12.3021 15.9220 15.9220 16.5702 16.5702 17.4391 17.4391 17.9372 17.9372 k = 0.0000 0.4595-0.0000 ( 2520 PWs) bands (ev): -1.8159 -1.8159 -1.7825 -1.7825 -0.9922 -0.9922 -0.9451 -0.9451 -0.9352 -0.9352 5.2352 5.2352 6.6825 6.6825 8.9507 8.9507 9.2165 9.2165 9.3948 9.3948 9.5975 9.5975 9.7854 9.7854 9.9034 9.9034 10.3544 10.3544 10.5597 10.5597 11.0201 11.0201 11.1159 11.1159 11.1669 11.1669 11.2507 11.2507 11.3154 11.3154 11.6587 11.6587 12.3014 12.3014 15.9966 15.9966 16.5631 16.5631 17.3741 17.3741 17.9273 17.9273 k = 0.0000 0.4730-0.0000 ( 2522 PWs) bands (ev): -1.8157 -1.8157 -1.7822 -1.7822 -0.9921 -0.9921 -0.9446 -0.9446 -0.9351 -0.9351 5.2756 5.2756 6.6347 6.6347 8.9580 8.9580 9.2232 9.2232 9.4029 9.4029 9.6218 9.6218 9.7687 9.7687 9.8851 9.8851 10.3524 10.3524 10.5592 10.5592 11.0277 11.0277 11.1117 11.1117 11.1517 11.1517 11.2321 11.2321 11.3095 11.3095 11.6576 11.6576 12.3009 12.3009 16.0557 16.0557 16.5576 16.5576 17.3207 17.3207 17.9203 17.9203 k = 0.0000 0.4865-0.0000 ( 2522 PWs) bands (ev): -1.8157 -1.8157 -1.7820 -1.7820 -0.9920 -0.9920 -0.9442 -0.9442 -0.9351 -0.9351 5.3014 5.3014 6.6045 6.6045 8.9625 8.9625 9.2271 9.2271 9.4081 9.4081 9.6436 9.6436 9.7496 9.7496 9.8757 9.8757 10.3512 10.3512 10.5590 10.5590 11.0339 11.0339 11.1079 11.1079 11.1434 11.1434 11.2194 11.2194 11.3062 11.3062 11.6570 11.6570 12.3006 12.3006 16.0943 16.0943 16.5538 16.5538 17.2853 17.2853 17.9161 17.9161 k = 0.0000 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8156 -1.8156 -1.7819 -1.7819 -0.9919 -0.9919 -0.9441 -0.9441 -0.9350 -0.9350 5.3103 5.3103 6.5941 6.5941 8.9640 8.9640 9.2284 9.2284 9.4098 9.4098 9.6538 9.6538 9.7399 9.7399 9.8730 9.8730 10.3508 10.3508 10.5590 10.5590 11.0364 11.0364 11.1060 11.1060 11.1411 11.1411 11.2147 11.2147 11.3052 11.3052 11.6568 11.6568 12.3005 12.3005 16.1078 16.1078 16.5525 16.5525 17.2730 17.2730 17.9147 17.9147 k = 0.0000 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8156 -1.8156 -1.7819 -1.7819 -0.9919 -0.9919 -0.9441 -0.9441 -0.9350 -0.9350 5.3103 5.3103 6.5941 6.5941 8.9640 8.9640 9.2284 9.2284 9.4098 9.4098 9.6538 9.6538 9.7399 9.7399 9.8730 9.8730 10.3508 10.3508 10.5590 10.5590 11.0364 11.0364 11.1060 11.1060 11.1411 11.1411 11.2147 11.2147 11.3052 11.3052 11.6568 11.6568 12.3005 12.3005 16.1078 16.1078 16.5525 16.5525 17.2730 17.2730 17.9147 17.9147 k = 0.0135 0.5000-0.0000 ( 2514 PWs) bands (ev): -1.8155 -1.8155 -1.7819 -1.7819 -0.9918 -0.9918 -0.9440 -0.9440 -0.9350 -0.9350 5.3118 5.3118 6.5952 6.5952 8.9644 8.9644 9.2271 9.2271 9.4092 9.4092 9.6534 9.6534 9.7372 9.7372 9.8742 9.8742 10.3505 10.3505 10.5602 10.5602 11.0351 11.0351 11.1068 11.1068 11.1417 11.1417 11.2121 11.2121 11.3088 11.3088 11.6565 11.6565 12.2994 12.2994 16.0386 16.0386 16.6254 16.6254 17.2171 17.2171 17.9715 17.9715 k = 0.0270 0.5000-0.0000 ( 2508 PWs) bands (ev): -1.8153 -1.8153 -1.7818 -1.7818 -0.9915 -0.9915 -0.9439 -0.9439 -0.9349 -0.9349 5.3162 5.3162 6.5986 6.5986 8.9655 8.9655 9.2231 9.2231 9.4073 9.4073 9.6521 9.6521 9.7296 9.7296 9.8777 9.8777 10.3495 10.3495 10.5636 10.5636 11.0313 11.0313 11.1086 11.1086 11.1434 11.1434 11.2057 11.2057 11.3185 11.3185 11.6557 11.6557 12.2963 12.2963 15.8953 15.8953 16.7797 16.7797 17.0863 17.0863 18.1051 18.1051 k = 0.0405 0.5000-0.0000 ( 2508 PWs) bands (ev): -1.8151 -1.8151 -1.7816 -1.7816 -0.9911 -0.9911 -0.9436 -0.9436 -0.9349 -0.9349 5.3237 5.3237 6.6041 6.6041 8.9672 8.9672 9.2164 9.2164 9.4042 9.4042 9.6497 9.6497 9.7181 9.7181 9.8822 9.8822 10.3482 10.3482 10.5689 10.5689 11.0259 11.0259 11.1101 11.1101 11.1464 11.1464 11.1983 11.1983 11.3318 11.3318 11.6543 11.6543 12.2911 12.2911 15.7329 15.7329 16.9212 16.9212 16.9641 16.9641 18.2693 18.2693 k = 0.0541 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8147 -1.8147 -1.7816 -1.7816 -0.9906 -0.9906 -0.9434 -0.9434 -0.9349 -0.9349 5.3340 5.3340 6.6119 6.6119 8.9695 8.9695 9.2072 9.2072 9.3999 9.3999 9.6457 9.6457 9.7044 9.7044 9.8871 9.8871 10.3468 10.3468 10.5758 10.5758 11.0197 11.0197 11.1099 11.1099 11.1502 11.1502 11.1923 11.1923 11.3468 11.3468 11.6525 11.6525 12.2839 12.2839 15.5670 15.5670 16.7509 16.7509 17.1531 17.1531 18.4406 18.4406 k = 0.0676 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.8142 -1.8142 -1.7813 -1.7813 -0.9898 -0.9898 -0.9430 -0.9430 -0.9348 -0.9348 5.3473 5.3473 6.6219 6.6219 8.9722 8.9722 9.1956 9.1956 9.3943 9.3943 9.6392 9.6392 9.6900 9.6900 9.8915 9.8915 10.3458 10.3458 10.5838 10.5838 11.0131 11.0131 11.1072 11.1072 11.1541 11.1541 11.1898 11.1898 11.3625 11.3625 11.6503 11.6503 12.2748 12.2748 15.4027 15.4027 16.5742 16.5742 17.3499 17.3499 18.6004 18.6004 k = 0.0811 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.8136 -1.8136 -1.7811 -1.7811 -0.9889 -0.9889 -0.9426 -0.9426 -0.9347 -0.9347 5.3636 5.3636 6.6339 6.6339 8.9751 8.9751 9.1818 9.1818 9.3876 9.3876 9.6289 9.6289 9.6770 9.6770 9.8951 9.8951 10.3455 10.3455 10.5926 10.5926 11.0067 11.0067 11.1018 11.1018 11.1573 11.1573 11.1918 11.1918 11.3778 11.3778 11.6479 11.6479 12.2638 12.2638 15.2423 15.2423 16.3969 16.3969 17.5494 17.5494 18.7255 18.7255 k = 0.0946 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8129 -1.8129 -1.7809 -1.7809 -0.9879 -0.9879 -0.9420 -0.9420 -0.9348 -0.9348 5.3828 5.3828 6.6481 6.6481 8.9778 8.9778 9.1661 9.1661 9.3798 9.3798 9.6142 9.6142 9.6664 9.6664 9.8976 9.8976 10.3461 10.3461 10.6017 10.6017 11.0005 11.0005 11.0942 11.0942 11.1598 11.1598 11.1975 11.1975 11.3922 11.3922 11.6453 11.6453 12.2510 12.2510 15.0870 15.0870 16.2208 16.2208 17.7498 17.7498 18.8133 18.8133 k = 0.1081 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8121 -1.8121 -1.7806 -1.7806 -0.9867 -0.9867 -0.9414 -0.9414 -0.9346 -0.9346 5.4050 5.4050 6.6642 6.6642 8.9797 8.9797 9.1490 9.1490 9.3709 9.3709 9.5957 9.5957 9.6579 9.6579 9.8991 9.8991 10.3479 10.3479 10.6108 10.6108 10.9948 10.9948 11.0854 11.0854 11.1621 11.1621 11.2054 11.2054 11.4052 11.4052 11.6427 11.6427 12.2365 12.2365 14.9375 14.9375 16.0471 16.0471 17.9490 17.9490 18.8865 18.8865 k = 0.1216 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.8112 -1.8112 -1.7802 -1.7802 -0.9854 -0.9854 -0.9407 -0.9407 -0.9344 -0.9344 5.4301 5.4301 6.6823 6.6823 8.9799 8.9799 9.1314 9.1314 9.3611 9.3611 9.5749 9.5749 9.6504 9.6504 9.8995 9.8995 10.3509 10.3509 10.6198 10.6198 10.9897 10.9897 11.0759 11.0759 11.1644 11.1644 11.2144 11.2144 11.4163 11.4163 11.6403 11.6403 12.2205 12.2205 14.7945 14.7945 15.8765 15.8765 18.1450 18.1450 18.9603 18.9603 k = 0.1351 0.5000-0.0000 ( 2506 PWs) bands (ev): -1.8102 -1.8102 -1.7798 -1.7798 -0.9840 -0.9840 -0.9400 -0.9400 -0.9342 -0.9342 5.4580 5.4580 6.7022 6.7022 8.9768 8.9768 9.1146 9.1146 9.3505 9.3505 9.5529 9.5529 9.6430 9.6430 9.8992 9.8992 10.3550 10.3550 10.6285 10.6285 10.9852 10.9852 11.0662 11.0662 11.1667 11.1667 11.2237 11.2237 11.4251 11.4251 11.6380 11.6380 12.2031 12.2031 14.6586 14.6586 15.7095 15.7095 18.3346 18.3346 19.0420 19.0420 k = 0.1486 0.5000-0.0000 ( 2508 PWs) bands (ev): -1.8092 -1.8092 -1.7794 -1.7794 -0.9826 -0.9826 -0.9393 -0.9393 -0.9340 -0.9340 5.4889 5.4889 6.7238 6.7238 8.9683 8.9683 9.1005 9.1005 9.3391 9.3391 9.5306 9.5306 9.6352 9.6352 9.8983 9.8983 10.3603 10.3603 10.6368 10.6368 10.9813 10.9813 11.0567 11.0567 11.1687 11.1687 11.2328 11.2328 11.4314 11.4314 11.6359 11.6359 12.1845 12.1845 14.5302 14.5302 15.5467 15.5467 18.5142 18.5142 19.1364 19.1364 k = 0.1622 0.5000-0.0000 ( 2514 PWs) bands (ev): -1.8081 -1.8081 -1.7790 -1.7790 -0.9810 -0.9810 -0.9386 -0.9386 -0.9336 -0.9336 5.5227 5.5227 6.7471 6.7471 8.9524 8.9524 9.0908 9.0908 9.3271 9.3271 9.5085 9.5085 9.6267 9.6267 9.8970 9.8970 10.3665 10.3665 10.6446 10.6446 10.9780 10.9780 11.0473 11.0473 11.1703 11.1703 11.2413 11.2413 11.4352 11.4352 11.6337 11.6337 12.1647 12.1647 14.4097 14.4097 15.3884 15.3884 18.6796 18.6796 19.2476 19.2476 k = 0.1757 0.5000-0.0000 ( 2514 PWs) bands (ev): -1.8070 -1.8070 -1.7785 -1.7785 -0.9794 -0.9794 -0.9379 -0.9379 -0.9331 -0.9331 5.5593 5.5593 6.7719 6.7719 8.9285 8.9285 9.0859 9.0859 9.3145 9.3145 9.4873 9.4873 9.6174 9.6174 9.8957 9.8957 10.3738 10.3738 10.6520 10.6520 10.9752 10.9752 11.0383 11.0383 11.1712 11.1712 11.2491 11.2491 11.4363 11.4363 11.6314 11.6314 12.1440 12.1440 14.2974 14.2974 15.2351 15.2351 18.8279 18.8279 19.3775 19.3775 k = 0.1892 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.8058 -1.8058 -1.7780 -1.7780 -0.9778 -0.9778 -0.9374 -0.9374 -0.9324 -0.9324 5.5988 5.5988 6.7981 6.7981 8.8973 8.8973 9.0847 9.0847 9.3016 9.3016 9.4675 9.4675 9.6072 9.6072 9.8944 9.8944 10.3818 10.3818 10.6590 10.6590 10.9728 10.9728 11.0296 11.0296 11.1711 11.1711 11.2558 11.2558 11.4352 11.4352 11.6286 11.6286 12.1225 12.1225 14.1936 14.1936 15.0871 15.0871 18.9593 18.9593 19.5246 19.5246 k = 0.2027 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.8046 -1.8046 -1.7775 -1.7775 -0.9760 -0.9760 -0.9369 -0.9369 -0.9316 -0.9316 5.6411 5.6411 6.8256 6.8256 8.8600 8.8600 9.0855 9.0855 9.2884 9.2884 9.4496 9.4496 9.5961 9.5961 9.8934 9.8934 10.3905 10.3905 10.6657 10.6657 10.9709 10.9709 11.0212 11.0212 11.1699 11.1699 11.2614 11.2614 11.4319 11.4319 11.6248 11.6248 12.1004 12.1004 14.0985 14.0985 14.9448 14.9448 19.0775 19.0775 19.6835 19.6835 k = 0.2162 0.5000-0.0000 ( 2506 PWs) bands (ev): -1.8033 -1.8033 -1.7770 -1.7770 -0.9743 -0.9743 -0.9364 -0.9364 -0.9306 -0.9306 5.6862 5.6862 6.8540 6.8540 8.8174 8.8174 9.0869 9.0869 9.2750 9.2750 9.4342 9.4342 9.5842 9.5842 9.8927 9.8927 10.3998 10.3998 10.6722 10.6722 10.9692 10.9692 11.0130 11.0130 11.1673 11.1673 11.2655 11.2655 11.4269 11.4269 11.6199 11.6199 12.0779 12.0779 14.0121 14.0121 14.8085 14.8085 19.1871 19.1871 19.8472 19.8472 k = 0.2297 0.5000-0.0000 ( 2506 PWs) bands (ev): -1.8021 -1.8021 -1.7764 -1.7764 -0.9726 -0.9726 -0.9361 -0.9361 -0.9294 -0.9294 5.7341 5.7341 6.8834 6.8834 8.7702 8.7702 9.0881 9.0881 9.2615 9.2615 9.4219 9.4219 9.5717 9.5717 9.8925 9.8925 10.4096 10.4096 10.6786 10.6786 10.9676 10.9676 11.0050 11.0050 11.1632 11.1632 11.2682 11.2682 11.4204 11.4204 11.6137 11.6137 12.0549 12.0549 13.9345 13.9345 14.6787 14.6787 19.2920 19.2920 20.0089 20.0089 k = 0.2432 0.5000-0.0000 ( 2506 PWs) bands (ev): -1.8008 -1.8008 -1.7758 -1.7758 -0.9709 -0.9709 -0.9359 -0.9359 -0.9282 -0.9282 5.7847 5.7847 6.9135 6.9135 8.7187 8.7187 9.0882 9.0882 9.2482 9.2482 9.4132 9.4132 9.5586 9.5586 9.8927 9.8927 10.4199 10.4199 10.6848 10.6848 10.9661 10.9661 10.9971 10.9971 11.1573 11.1573 11.2693 11.2693 11.4128 11.4128 11.6060 11.6060 12.0317 12.0317 13.8654 13.8654 14.5557 14.5557 19.3948 19.3948 20.1621 20.1621 k = 0.2568 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.7996 -1.7996 -1.7753 -1.7753 -0.9693 -0.9693 -0.9357 -0.9357 -0.9269 -0.9269 5.8380 5.8380 6.9441 6.9441 8.6631 8.6631 9.0866 9.0866 9.2352 9.2352 9.4081 9.4081 9.5451 9.5451 9.8933 9.8933 10.4304 10.4304 10.6910 10.6910 10.9643 10.9643 10.9891 10.9891 11.1495 11.1495 11.2688 11.2688 11.4044 11.4044 11.5968 11.5968 12.0082 12.0082 13.8047 13.8047 14.4397 14.4397 19.4972 19.4972 20.2996 20.2996 k = 0.2703 0.5000-0.0000 ( 2508 PWs) bands (ev): -1.7984 -1.7984 -1.7747 -1.7747 -0.9676 -0.9676 -0.9355 -0.9355 -0.9255 -0.9255 5.8940 5.8940 6.9749 6.9749 8.6035 8.6035 9.0831 9.0831 9.2230 9.2230 9.4069 9.4069 9.5316 9.5316 9.8943 9.8943 10.4412 10.4412 10.6972 10.6972 10.9622 10.9622 10.9812 10.9812 11.1400 11.1400 11.2665 11.2665 11.3956 11.3956 11.5863 11.5863 11.9847 11.9847 13.7518 13.7518 14.3310 14.3310 19.6002 19.6002 20.4140 20.4140 k = 0.2838 0.5000-0.0000 ( 2506 PWs) bands (ev): -1.7972 -1.7972 -1.7741 -1.7741 -0.9660 -0.9660 -0.9353 -0.9353 -0.9240 -0.9240 5.9525 5.9525 7.0058 7.0058 8.5401 8.5401 9.0776 9.0776 9.2118 9.2118 9.4092 9.4092 9.5183 9.5183 9.8956 9.8956 10.4523 10.4523 10.7035 10.7035 10.9595 10.9595 10.9732 10.9732 11.1288 11.1288 11.2624 11.2624 11.3869 11.3869 11.5746 11.5746 11.9611 11.9611 13.7063 13.7063 14.2300 14.2300 19.7042 19.7042 20.5018 20.5018 k = 0.2973 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.7960 -1.7960 -1.7736 -1.7736 -0.9646 -0.9646 -0.9352 -0.9352 -0.9226 -0.9226 6.0136 6.0136 7.0365 7.0365 8.4732 8.4732 9.0701 9.0701 9.2018 9.2018 9.4146 9.4146 9.5056 9.5056 9.8970 9.8970 10.4635 10.4635 10.7097 10.7097 10.9554 10.9554 10.9653 10.9653 11.1161 11.1161 11.2565 11.2565 11.3784 11.3784 11.5620 11.5620 11.9376 11.9376 13.6677 13.6677 14.1368 14.1368 19.8094 19.8094 20.5683 20.5683 k = 0.3108 0.5000-0.0000 ( 2510 PWs) bands (ev): -1.7949 -1.7949 -1.7730 -1.7730 -0.9631 -0.9631 -0.9350 -0.9350 -0.9211 -0.9211 6.0772 6.0772 7.0667 7.0667 8.4029 8.4029 9.0608 9.0608 9.1933 9.1933 9.4224 9.4224 9.4942 9.4942 9.8984 9.8984 10.4748 10.4748 10.7160 10.7160 10.9493 10.9493 10.9581 10.9581 11.1022 11.1022 11.2488 11.2488 11.3708 11.3708 11.5487 11.5487 11.9142 11.9142 13.6352 13.6352 14.0515 14.0515 19.9158 19.9158 20.6208 20.6209 k = 0.3243 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.7939 -1.7939 -1.7725 -1.7725 -0.9618 -0.9618 -0.9349 -0.9349 -0.9197 -0.9197 6.1432 6.1432 7.0963 7.0963 8.3293 8.3293 9.0504 9.0504 9.1861 9.1861 9.4308 9.4308 9.4854 9.4854 9.8996 9.8996 10.4861 10.4861 10.7221 10.7221 10.9405 10.9405 10.9512 10.9512 11.0878 11.0878 11.2395 11.2395 11.3640 11.3640 11.5350 11.5350 11.8910 11.8910 13.6081 13.6081 13.9741 13.9741 20.0229 20.0229 20.6642 20.6642 k = 0.3378 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.7929 -1.7929 -1.7719 -1.7719 -0.9606 -0.9606 -0.9348 -0.9348 -0.9182 -0.9182 6.2115 6.2115 7.1249 7.1249 8.2529 8.2529 9.0391 9.0391 9.1803 9.1803 9.4365 9.4365 9.4827 9.4827 9.9005 9.9005 10.4974 10.4974 10.7282 10.7282 10.9298 10.9298 10.9436 10.9436 11.0736 11.0736 11.2291 11.2291 11.3584 11.3584 11.5213 11.5213 11.8683 11.8683 13.5858 13.5858 13.9048 13.9048 20.1299 20.1299 20.7013 20.7013 k = 0.3514 0.5000-0.0000 ( 2522 PWs) bands (ev): -1.7920 -1.7920 -1.7714 -1.7714 -0.9594 -0.9594 -0.9347 -0.9347 -0.9169 -0.9169 6.2821 6.2821 7.1523 7.1523 8.1738 8.1738 9.0274 9.0274 9.1756 9.1756 9.4357 9.4357 9.4894 9.4894 9.9008 9.9008 10.5086 10.5086 10.7341 10.7341 10.9173 10.9173 10.9345 10.9345 11.0602 11.0602 11.2181 11.2181 11.3537 11.3537 11.5078 11.5078 11.8460 11.8460 13.5674 13.5674 13.8433 13.8433 20.2355 20.2355 20.7349 20.7349 k = 0.3649 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7911 -1.7911 -1.7709 -1.7709 -0.9583 -0.9583 -0.9345 -0.9345 -0.9155 -0.9155 6.3548 6.3548 7.1783 7.1783 8.0925 8.0925 9.0158 9.0158 9.1718 9.1718 9.4301 9.4301 9.5039 9.5039 9.9002 9.9002 10.5197 10.5197 10.7397 10.7397 10.9030 10.9030 10.9237 10.9237 11.0486 11.0486 11.2071 11.2071 11.3499 11.3499 11.4948 11.4948 11.8246 11.8246 13.5522 13.5522 13.7896 13.7896 20.3373 20.3373 20.7684 20.7684 k = 0.3784 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7903 -1.7903 -1.7704 -1.7704 -0.9573 -0.9573 -0.9344 -0.9344 -0.9143 -0.9143 6.4295 6.4295 7.2026 7.2026 8.0091 8.0091 9.0046 9.0046 9.1690 9.1690 9.4229 9.4229 9.5226 9.5226 9.8986 9.8986 10.5304 10.5304 10.7449 10.7449 10.8869 10.8869 10.9115 10.9115 11.0389 11.0389 11.1965 11.1965 11.3470 11.3470 11.4827 11.4827 11.8040 11.8040 13.5394 13.5394 13.7434 13.7434 20.4313 20.4313 20.8066 20.8066 k = 0.3919 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7896 -1.7896 -1.7700 -1.7700 -0.9564 -0.9564 -0.9343 -0.9343 -0.9131 -0.9131 6.5061 6.5061 7.2249 7.2249 7.9241 7.9241 8.9940 8.9940 9.1668 9.1668 9.4158 9.4158 9.5438 9.5438 9.8956 9.8956 10.5406 10.5406 10.7497 10.7497 10.8694 10.8694 10.8982 10.8982 11.0313 11.0313 11.1866 11.1866 11.3446 11.3446 11.4716 11.4716 11.7846 11.7846 13.5285 13.5285 13.7046 13.7046 20.5116 20.5116 20.8560 20.8560 k = 0.4054 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7889 -1.7889 -1.7696 -1.7696 -0.9557 -0.9557 -0.9342 -0.9342 -0.9120 -0.9120 6.5844 6.5844 7.2452 7.2452 7.8379 7.8379 8.9842 8.9842 9.1652 9.1652 9.4092 9.4092 9.5667 9.5667 9.8910 9.8910 10.5501 10.5501 10.7538 10.7538 10.8514 10.8514 10.8843 10.8843 11.0255 11.0255 11.1779 11.1779 11.3428 11.3428 11.4616 11.4616 11.7665 11.7665 13.5187 13.5187 13.6728 13.6728 20.5726 20.5726 20.9224 20.9224 k = 0.4189 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7884 -1.7884 -1.7692 -1.7692 -0.9550 -0.9550 -0.9341 -0.9341 -0.9111 -0.9111 6.6640 6.6640 7.2631 7.2631 7.7509 7.7509 8.9754 8.9754 9.1640 9.1640 9.4034 9.4034 9.5905 9.5905 9.8847 9.8847 10.5586 10.5586 10.7575 10.7575 10.8341 10.8341 10.8701 10.8701 11.0213 11.0213 11.1703 11.1703 11.3415 11.3415 11.4529 11.4529 11.7501 11.7501 13.5097 13.5097 13.6477 13.6477 20.6138 20.6138 21.0062 21.0062 k = 0.4324 0.5000-0.0000 ( 2516 PWs) bands (ev): -1.7879 -1.7879 -1.7689 -1.7689 -0.9544 -0.9544 -0.9341 -0.9341 -0.9102 -0.9102 6.7447 6.7447 7.2786 7.2786 7.6637 7.6637 8.9678 8.9678 9.1631 9.1631 9.3986 9.3986 9.6148 9.6148 9.8765 9.8765 10.5659 10.5659 10.7605 10.7605 10.8189 10.8189 10.8560 10.8560 11.0182 11.0182 11.1641 11.1641 11.3405 11.3405 11.4455 11.4455 11.7356 11.7356 13.5013 13.5013 13.6286 13.6286 20.6398 20.6398 21.1022 21.1022 k = 0.4459 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7875 -1.7875 -1.7686 -1.7686 -0.9539 -0.9539 -0.9340 -0.9340 -0.9095 -0.9095 6.8257 6.8257 7.2914 7.2914 7.5771 7.5771 8.9615 8.9615 9.1624 9.1624 9.3946 9.3946 9.6386 9.6386 9.8667 9.8667 10.5716 10.5716 10.7630 10.7630 10.8069 10.8069 10.8422 10.8422 11.0160 11.0160 11.1591 11.1591 11.3398 11.3398 11.4394 11.4394 11.7233 11.7233 13.4937 13.4937 13.6146 13.6146 20.6558 20.6558 21.2029 21.2029 k = 0.4595 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7872 -1.7872 -1.7685 -1.7685 -0.9535 -0.9535 -0.9340 -0.9340 -0.9089 -0.9089 6.9060 6.9060 7.3015 7.3015 7.4923 7.4923 8.9565 8.9565 9.1620 9.1620 9.3916 9.3916 9.6610 9.6610 9.8558 9.8558 10.5758 10.5758 10.7652 10.7652 10.7987 10.7987 10.8292 10.8292 11.0145 11.0145 11.1554 11.1554 11.3393 11.3393 11.4347 11.4347 11.7134 11.7134 13.4872 13.4872 13.6050 13.6050 20.6656 20.6656 21.3003 21.3003 k = 0.4730 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7870 -1.7870 -1.7684 -1.7684 -0.9533 -0.9533 -0.9340 -0.9340 -0.9086 -0.9086 6.9828 6.9828 7.3088 7.3088 7.4123 7.4123 8.9529 8.9529 9.1616 9.1616 9.3895 9.3895 9.6804 9.6804 9.8450 9.8450 10.5784 10.5784 10.7670 10.7670 10.7943 10.7943 10.8175 10.8175 11.0135 11.0135 11.1527 11.1527 11.3391 11.3391 11.4314 11.4314 11.7061 11.7061 13.4822 13.4822 13.5988 13.5988 20.6714 20.6714 21.3835 21.3835 k = 0.4865 0.5000-0.0000 ( 2532 PWs) bands (ev): -1.7869 -1.7869 -1.7683 -1.7683 -0.9532 -0.9532 -0.9340 -0.9340 -0.9084 -0.9084 7.0479 7.0479 7.3131 7.3131 7.3452 7.3452 8.9507 8.9507 9.1615 9.1615 9.3883 9.3883 9.6941 9.6941 9.8366 9.8366 10.5797 10.5797 10.7685 10.7685 10.7935 10.7935 10.8082 10.8082 11.0129 11.0129 11.1511 11.1511 11.3390 11.3390 11.4294 11.4294 11.7017 11.7017 13.4791 13.4791 13.5954 13.5954 20.6745 20.6745 21.4393 21.4393 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7868 -1.7868 -1.7683 -1.7683 -0.9530 -0.9530 -0.9340 -0.9340 -0.9084 -0.9084 7.0777 7.0777 7.3124 7.3124 7.3169 7.3169 8.9500 8.9500 9.1614 9.1614 9.3879 9.3879 9.6992 9.6992 9.8333 9.8333 10.5801 10.5801 10.7692 10.7692 10.7944 10.7944 10.8038 10.8038 11.0127 11.0127 11.1507 11.1507 11.3389 11.3389 11.4288 11.4288 11.7002 11.7002 13.4780 13.4780 13.5943 13.5943 20.6755 20.6755 21.4585 21.4585 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7868 -1.7868 -1.7683 -1.7683 -0.9530 -0.9530 -0.9340 -0.9340 -0.9084 -0.9084 7.0777 7.0777 7.3124 7.3124 7.3169 7.3169 8.9500 8.9500 9.1614 9.1614 9.3879 9.3879 9.6992 9.6992 9.8333 9.8333 10.5801 10.5801 10.7692 10.7692 10.7944 10.7944 10.8038 10.8038 11.0127 11.0127 11.1507 11.1507 11.3389 11.3389 11.4288 11.4288 11.7002 11.7002 13.4780 13.4780 13.5943 13.5943 20.6755 20.6755 21.4585 21.4585 k = 0.4904 0.4904-0.0000 ( 2534 PWs) bands (ev): -1.7869 -1.7869 -1.7683 -1.7683 -0.9532 -0.9532 -0.9340 -0.9340 -0.9084 -0.9084 7.0472 7.0472 7.3165 7.3165 7.3425 7.3425 8.9507 8.9507 9.1615 9.1615 9.3883 9.3883 9.6940 9.6940 9.8366 9.8366 10.5797 10.5797 10.7685 10.7685 10.7934 10.7934 10.8083 10.8083 11.0129 11.0129 11.1511 11.1511 11.3390 11.3390 11.4294 11.4294 11.7017 11.7017 13.4791 13.4791 13.5954 13.5954 20.6745 20.6745 21.4384 21.4384 k = 0.4808 0.4808-0.0000 ( 2534 PWs) bands (ev): -1.7870 -1.7870 -1.7684 -1.7684 -0.9533 -0.9533 -0.9341 -0.9341 -0.9087 -0.9087 6.9788 6.9788 7.3225 7.3225 7.4025 7.4025 8.9529 8.9529 9.1616 9.1616 9.3896 9.3896 9.6800 9.6800 9.8452 9.8452 10.5785 10.5785 10.7669 10.7669 10.7932 10.7932 10.8186 10.8186 11.0135 11.0135 11.1527 11.1527 11.3392 11.3392 11.4314 11.4314 11.7062 11.7062 13.4823 13.4823 13.5989 13.5989 20.6712 20.6712 21.3753 21.3753 k = 0.4712 0.4712-0.0000 ( 2526 PWs) bands (ev): -1.7872 -1.7872 -1.7685 -1.7685 -0.9536 -0.9536 -0.9340 -0.9340 -0.9090 -0.9090 6.8955 6.8955 7.3323 7.3323 7.4720 7.4720 8.9566 8.9566 9.1618 9.1618 9.3917 9.3917 9.6602 9.6602 9.8562 9.8562 10.5767 10.5767 10.7647 10.7647 10.7953 10.7953 10.8326 10.8326 11.0147 11.0147 11.1552 11.1552 11.3398 11.3398 11.4346 11.4346 11.7135 11.7135 13.4873 13.4873 13.6052 13.6052 20.6644 20.6644 21.2756 21.2756 k = 0.4615 0.4615-0.0000 ( 2506 PWs) bands (ev): -1.7874 -1.7874 -1.7686 -1.7686 -0.9539 -0.9539 -0.9340 -0.9340 -0.9094 -0.9094 6.8054 6.8054 7.3460 7.3460 7.5429 7.5429 8.9617 8.9617 9.1620 9.1620 9.3948 9.3948 9.6368 9.6368 9.8673 9.8673 10.5741 10.5741 10.7617 10.7617 10.8002 10.8002 10.8494 10.8494 11.0169 11.0169 11.1585 11.1585 11.3411 11.3411 11.4389 11.4389 11.7234 11.7234 13.4937 13.4937 13.6150 13.6150 20.6515 20.6515 21.1576 21.1576 k = 0.4519 0.4519-0.0000 ( 2506 PWs) bands (ev): -1.7878 -1.7878 -1.7689 -1.7689 -0.9543 -0.9543 -0.9341 -0.9341 -0.9101 -0.9101 6.7114 6.7114 7.3635 7.3635 7.6124 7.6124 8.9681 8.9681 9.1621 9.1621 9.3989 9.3989 9.6115 9.6115 9.8773 9.8773 10.5709 10.5709 10.7574 10.7574 10.8080 10.8080 10.8683 10.8683 11.0201 11.0201 11.1626 11.1626 11.3433 11.3433 11.4442 11.4442 11.7357 11.7357 13.5008 13.5008 13.6293 13.6293 20.6265 20.6265 21.0385 21.0385 k = 0.4423 0.4423-0.0000 ( 2510 PWs) bands (ev): -1.7883 -1.7883 -1.7692 -1.7692 -0.9550 -0.9550 -0.9342 -0.9342 -0.9110 -0.9110 6.6149 6.6149 7.3848 7.3848 7.6793 7.6793 8.9758 8.9758 9.1620 9.1620 9.4040 9.4040 9.5853 9.5853 9.8855 9.8855 10.5668 10.5668 10.7519 10.7519 10.8191 10.8191 10.8889 10.8889 11.0246 11.0246 11.1672 11.1672 11.3466 11.3466 11.4504 11.4504 11.7500 11.7500 13.5080 13.5080 13.6494 13.6494 20.5784 20.5784 20.9349 20.9349 k = 0.4327 0.4327-0.0000 ( 2514 PWs) bands (ev): -1.7889 -1.7889 -1.7697 -1.7697 -0.9556 -0.9556 -0.9343 -0.9343 -0.9121 -0.9121 6.5165 6.5165 7.4098 7.4098 7.7430 7.7430 8.9847 8.9847 9.1616 9.1616 9.4100 9.4100 9.5590 9.5590 9.8918 9.8918 10.5615 10.5615 10.7453 10.7453 10.8332 10.8332 10.9105 10.9105 11.0308 11.0308 11.1722 11.1722 11.3514 11.3514 11.4577 11.4577 11.7661 11.7661 13.5147 13.5147 13.6762 13.6762 20.4947 20.4947 20.8620 20.8620 k = 0.4231 0.4231-0.0000 ( 2518 PWs) bands (ev): -1.7895 -1.7895 -1.7702 -1.7702 -0.9564 -0.9564 -0.9344 -0.9344 -0.9133 -0.9133 6.4169 6.4169 7.4385 7.4385 7.8031 7.8031 8.9946 8.9946 9.1608 9.1608 9.4165 9.4165 9.5336 9.5336 9.8961 9.8961 10.5548 10.5548 10.7380 10.7380 10.8502 10.8502 10.9326 10.9326 11.0388 11.0388 11.1775 11.1775 11.3576 11.3576 11.4660 11.4660 11.7836 11.7836 13.5205 13.5205 13.7106 13.7106 20.3767 20.3767 20.8200 20.8200 k = 0.4135 0.4135-0.0000 ( 2520 PWs) bands (ev): -1.7903 -1.7903 -1.7707 -1.7707 -0.9573 -0.9573 -0.9346 -0.9346 -0.9146 -0.9146 6.3164 6.3164 7.4708 7.4708 7.8594 7.8594 9.0054 9.0054 9.1595 9.1595 9.4222 9.4222 9.5108 9.5108 9.8987 9.8987 10.5460 10.5460 10.7307 10.7307 10.8697 10.8697 10.9548 10.9548 11.0487 11.0487 11.1830 11.1830 11.3652 11.3652 11.4755 11.4755 11.8023 11.8023 13.5256 13.5256 13.7533 13.7533 20.2373 20.2373 20.7969 20.7969 k = 0.4038 0.4038-0.0000 ( 2524 PWs) bands (ev): -1.7911 -1.7911 -1.7713 -1.7713 -0.9583 -0.9583 -0.9348 -0.9348 -0.9160 -0.9160 6.2154 6.2154 7.5066 7.5066 7.9118 7.9118 9.0167 9.0167 9.1579 9.1579 9.4238 9.4238 9.4946 9.4946 9.8998 9.8998 10.5349 10.5349 10.7237 10.7237 10.8913 10.8913 10.9765 10.9765 11.0603 11.0603 11.1887 11.1887 11.3742 11.3742 11.4861 11.4861 11.8219 11.8219 13.5298 13.5298 13.8045 13.8045 20.0865 20.0865 20.7830 20.7830 k = 0.3942 0.3942-0.0000 ( 2528 PWs) bands (ev): -1.7920 -1.7920 -1.7720 -1.7720 -0.9594 -0.9594 -0.9350 -0.9350 -0.9176 -0.9176 6.1142 6.1142 7.5458 7.5458 7.9601 7.9601 9.0284 9.0284 9.1560 9.1560 9.4159 9.4159 9.4904 9.4904 9.8999 9.8999 10.5211 10.5211 10.7178 10.7178 10.9146 10.9146 10.9975 10.9975 11.0735 11.0735 11.1947 11.1947 11.3844 11.3844 11.4981 11.4981 11.8422 11.8422 13.5334 13.5334 13.8647 13.8647 19.9298 19.9298 20.7733 20.7733 k = 0.3846 0.3846-0.0000 ( 2528 PWs) bands (ev): -1.7929 -1.7929 -1.7727 -1.7727 -0.9605 -0.9605 -0.9352 -0.9352 -0.9193 -0.9193 6.0131 6.0131 7.5882 7.5882 8.0043 8.0043 9.0399 9.0399 9.1542 9.1542 9.3993 9.3993 9.4980 9.4980 9.8992 9.8992 10.5047 10.5047 10.7133 10.7133 10.9392 10.9392 11.0176 11.0176 11.0879 11.0879 11.2012 11.2012 11.3956 11.3956 11.5117 11.5117 11.8631 11.8631 13.5365 13.5365 13.9340 13.9340 19.7700 19.7700 20.7650 20.7650 k = 0.3750 0.3750-0.0000 ( 2524 PWs) bands (ev): -1.7939 -1.7939 -1.7735 -1.7735 -0.9617 -0.9617 -0.9354 -0.9354 -0.9210 -0.9210 5.9122 5.9122 7.6337 7.6337 8.0443 8.0443 9.0504 9.0504 9.1527 9.1527 9.3790 9.3790 9.5126 9.5126 9.8982 9.8982 10.4858 10.4858 10.7103 10.7103 10.9645 10.9645 11.0368 11.0368 11.1032 11.1032 11.2087 11.2087 11.4076 11.4076 11.5268 11.5268 11.8843 11.8843 13.5392 13.5392 14.0126 14.0126 19.6084 19.6084 20.7568 20.7568 k = 0.3654 0.3654-0.0000 ( 2520 PWs) bands (ev): -1.7949 -1.7949 -1.7742 -1.7742 -0.9630 -0.9630 -0.9357 -0.9357 -0.9228 -0.9228 5.8119 5.8119 7.6820 7.6820 8.0802 8.0802 9.0590 9.0590 9.1525 9.1525 9.3581 9.3581 9.5312 9.5312 9.8972 9.8972 10.4647 10.4647 10.7088 10.7088 10.9900 10.9900 11.0550 11.0550 11.1190 11.1190 11.2176 11.2176 11.4200 11.4200 11.5436 11.5436 11.9057 11.9057 13.5416 13.5416 14.1005 14.1005 19.4461 19.4461 20.7476 20.7476 k = 0.3558 0.3558-0.0000 ( 2524 PWs) bands (ev): -1.7961 -1.7961 -1.7751 -1.7751 -0.9644 -0.9644 -0.9361 -0.9361 -0.9247 -0.9247 5.7124 5.7124 7.7331 7.7331 8.1119 8.1119 9.0644 9.0644 9.1544 9.1544 9.3380 9.3380 9.5527 9.5527 9.8965 9.8965 10.4418 10.4418 10.7088 10.7088 11.0150 11.0150 11.0719 11.0719 11.1352 11.1352 11.2282 11.2282 11.4328 11.4328 11.5623 11.5623 11.9271 11.9271 13.5437 13.5437 14.1976 14.1976 19.2836 19.2836 20.7368 20.7368 k = 0.3462 0.3462-0.0000 ( 2524 PWs) bands (ev): -1.7973 -1.7973 -1.7761 -1.7761 -0.9658 -0.9658 -0.9366 -0.9366 -0.9267 -0.9267 5.6138 5.6138 7.7867 7.7867 8.1395 8.1395 9.0659 9.0659 9.1587 9.1587 9.3198 9.3198 9.5767 9.5767 9.8965 9.8965 10.4177 10.4177 10.7101 10.7101 11.0390 11.0390 11.0872 11.0872 11.1525 11.1525 11.2409 11.2409 11.4458 11.4458 11.5828 11.5828 11.9486 11.9486 13.5455 13.5455 14.3038 14.3038 19.1214 19.1214 20.7234 20.7234 k = 0.3365 0.3365-0.0000 ( 2526 PWs) bands (ev): -1.7985 -1.7985 -1.7770 -1.7770 -0.9673 -0.9673 -0.9372 -0.9372 -0.9285 -0.9285 5.5164 5.5164 7.8424 7.8424 8.1631 8.1631 9.0633 9.0633 9.1650 9.1650 9.3042 9.3042 9.6027 9.6027 9.8974 9.8974 10.3929 10.3929 10.7125 10.7125 11.0614 11.0614 11.1000 11.1000 11.1719 11.1719 11.2558 11.2558 11.4591 11.4591 11.6051 11.6051 11.9700 11.9700 13.5471 13.5471 14.4188 14.4188 18.9597 18.9597 20.7068 20.7068 k = 0.3269 0.3269-0.0000 ( 2526 PWs) bands (ev): -1.7998 -1.7998 -1.7781 -1.7781 -0.9689 -0.9689 -0.9380 -0.9380 -0.9304 -0.9304 5.4202 5.4202 7.8999 7.8999 8.1828 8.1828 9.0572 9.0572 9.1714 9.1714 9.2924 9.2924 9.6303 9.6303 9.8997 9.8997 10.3679 10.3679 10.7159 10.7159 11.0821 11.0821 11.1098 11.1098 11.1945 11.1945 11.2726 11.2726 11.4726 11.4726 11.6292 11.6292 11.9912 11.9912 13.5485 13.5485 14.5422 14.5422 18.7989 18.7989 20.6859 20.6859 k = 0.3173 0.3173-0.0000 ( 2522 PWs) bands (ev): -1.8011 -1.8011 -1.7791 -1.7791 -0.9705 -0.9705 -0.9389 -0.9389 -0.9320 -0.9320 5.3256 5.3256 7.9588 7.9588 8.1990 8.1990 9.0486 9.0486 9.1758 9.1758 9.2857 9.2857 9.6593 9.6593 9.9036 9.9036 10.3432 10.3432 10.7203 10.7203 11.1013 11.1013 11.1166 11.1166 11.2203 11.2203 11.2911 11.2911 11.4866 11.4866 11.6550 11.6550 12.0122 12.0122 13.5495 13.5495 14.6737 14.6737 18.6392 18.6392 20.6591 20.6591 k = 0.3077 0.3077-0.0000 ( 2514 PWs) bands (ev): -1.8025 -1.8025 -1.7801 -1.7801 -0.9722 -0.9722 -0.9403 -0.9403 -0.9332 -0.9332 5.2325 5.2325 8.0181 8.0181 8.2122 8.2122 9.0381 9.0381 9.1762 9.1762 9.2854 9.2854 9.6891 9.6891 9.9096 9.9096 10.3195 10.3195 10.7255 10.7255 11.1194 11.1194 11.1212 11.1212 11.2487 11.2487 11.3108 11.3108 11.5012 11.5012 11.6823 11.6823 12.0329 12.0329 13.5502 13.5502 14.8128 14.8128 18.4808 18.4808 20.6245 20.6245 k = 0.2981 0.2981-0.0000 ( 2508 PWs) bands (ev): -1.8039 -1.8039 -1.7812 -1.7812 -0.9739 -0.9739 -0.9420 -0.9420 -0.9342 -0.9342 5.1412 5.1412 8.0766 8.0766 8.2236 8.2236 9.0263 9.0263 9.1722 9.1722 9.2912 9.2912 9.7189 9.7189 9.9183 9.9183 10.2975 10.2975 10.7316 10.7316 11.1239 11.1239 11.1369 11.1369 11.2789 11.2789 11.3315 11.3315 11.5166 11.5166 11.7110 11.7110 12.0533 12.0533 13.5506 13.5506 14.9589 14.9589 18.3238 18.3238 20.5791 20.5791 k = 0.2885 0.2885-0.0000 ( 2508 PWs) bands (ev): -1.8053 -1.8053 -1.7824 -1.7824 -0.9756 -0.9756 -0.9440 -0.9440 -0.9351 -0.9351 5.0517 5.0517 8.1306 8.1306 8.2366 8.2366 9.0135 9.0135 9.1645 9.1645 9.3018 9.3018 9.7476 9.7476 9.9303 9.9303 10.2779 10.2779 10.7386 10.7386 11.1254 11.1254 11.1541 11.1541 11.3098 11.3098 11.3531 11.3531 11.5332 11.5332 11.7409 11.7409 12.0734 12.0734 13.5506 13.5506 15.1116 15.1116 18.1685 18.1685 20.5180 20.5180 k = 0.2788 0.2788-0.0000 ( 2512 PWs) bands (ev): -1.8068 -1.8068 -1.7836 -1.7836 -0.9775 -0.9775 -0.9463 -0.9463 -0.9358 -0.9358 4.9642 4.9642 8.1704 8.1704 8.2607 8.2607 9.0002 9.0002 9.1545 9.1545 9.3153 9.3153 9.7738 9.7738 9.9466 9.9466 10.2618 10.2618 10.7464 10.7464 11.1261 11.1261 11.1714 11.1714 11.3402 11.3402 11.3762 11.3762 11.5510 11.5510 11.7719 11.7719 12.0931 12.0931 13.5501 13.5501 15.2702 15.2702 18.0150 18.0150 20.4277 20.4277 k = 0.2692 0.2692-0.0000 ( 2512 PWs) bands (ev): -1.8083 -1.8083 -1.7848 -1.7848 -0.9793 -0.9793 -0.9486 -0.9486 -0.9364 -0.9364 4.8789 4.8789 8.1876 8.1876 8.3041 8.3041 8.9865 8.9865 9.1431 9.1431 9.3306 9.3306 9.7957 9.7957 9.9682 9.9682 10.2502 10.2502 10.7552 10.7552 11.1264 11.1264 11.1891 11.1891 11.3684 11.3684 11.4020 11.4020 11.5704 11.5704 11.8039 11.8039 12.1125 12.1125 13.5491 13.5491 15.4342 15.4342 17.8638 17.8638 20.2829 20.2829 k = 0.2596 0.2596-0.0000 ( 2511 PWs) bands (ev): -1.8098 -1.8098 -1.7860 -1.7860 -0.9811 -0.9811 -0.9510 -0.9510 -0.9369 -0.9369 4.7957 4.7957 8.1901 8.1901 8.3588 8.3588 8.9727 8.9727 9.1306 9.1306 9.3467 9.3467 9.8121 9.8121 9.9955 9.9955 10.2446 10.2446 10.7649 10.7649 11.1264 11.1264 11.2072 11.2072 11.3927 11.3927 11.4317 11.4317 11.5915 11.5915 11.8368 11.8368 12.1315 12.1315 13.5475 13.5475 15.6028 15.6028 17.7149 17.7149 20.1106 20.1106 k = 0.2500 0.2500-0.0000 ( 2509 PWs) bands (ev): -1.8113 -1.8113 -1.7873 -1.7873 -0.9829 -0.9829 -0.9535 -0.9535 -0.9374 -0.9374 4.7149 4.7149 8.1857 8.1857 8.4167 8.4167 8.9588 8.9588 9.1173 9.1173 9.3632 9.3632 9.8223 9.8223 10.0281 10.0281 10.2463 10.2463 10.7755 10.7755 11.1264 11.1264 11.2260 11.2260 11.4135 11.4135 11.4646 11.4646 11.6144 11.6144 11.8705 11.8705 12.1501 12.1501 13.5452 13.5452 15.7751 15.7751 17.5690 17.5690 19.9325 19.9325 k = 0.2404 0.2404-0.0000 ( 2515 PWs) bands (ev): -1.8128 -1.8128 -1.7886 -1.7886 -0.9848 -0.9848 -0.9560 -0.9560 -0.9380 -0.9380 4.6364 4.6364 8.1774 8.1774 8.4746 8.4746 8.9449 8.9449 9.1034 9.1034 9.3796 9.3796 9.8264 9.8264 10.0649 10.0649 10.2566 10.2566 10.7871 10.7871 11.1266 11.1266 11.2454 11.2454 11.4319 11.4319 11.4992 11.4992 11.6390 11.6390 11.9048 11.9048 12.1684 12.1684 13.5421 13.5421 15.9500 15.9500 17.4267 17.4267 19.7528 19.7528 k = 0.2308 0.2308-0.0000 ( 2509 PWs) bands (ev): -1.8143 -1.8143 -1.7899 -1.7899 -0.9866 -0.9866 -0.9585 -0.9585 -0.9384 -0.9384 4.5604 4.5604 8.1664 8.1664 8.5311 8.5311 8.9312 8.9312 9.0889 9.0889 9.3958 9.3958 9.8251 9.8251 10.1048 10.1048 10.2762 10.2762 10.7997 10.7997 11.1270 11.1270 11.2655 11.2655 11.4488 11.4488 11.5350 11.5350 11.6652 11.6652 11.9399 11.9399 12.1863 12.1863 13.5382 13.5382 16.1257 16.1257 17.2896 17.2896 19.5730 19.5730 k = 0.2212 0.2212-0.0000 ( 2507 PWs) bands (ev): -1.8158 -1.8158 -1.7911 -1.7911 -0.9885 -0.9885 -0.9609 -0.9609 -0.9389 -0.9389 4.4870 4.4870 8.1533 8.1533 8.5855 8.5855 8.9177 8.9177 9.0738 9.0738 9.4115 9.4115 9.8192 9.8192 10.1466 10.1466 10.3055 10.3055 10.8131 10.8131 11.1279 11.1279 11.2863 11.2863 11.4644 11.4644 11.5714 11.5714 11.6929 11.6929 11.9755 11.9755 12.2038 12.2038 13.5332 13.5332 16.2985 16.2985 17.1608 17.1608 19.3939 19.3939 k = 0.2115 0.2115-0.0000 ( 2513 PWs) bands (ev): -1.8173 -1.8173 -1.7925 -1.7925 -0.9903 -0.9903 -0.9634 -0.9634 -0.9395 -0.9395 4.4162 4.4162 8.1388 8.1388 8.6370 8.6370 8.9044 8.9044 9.0583 9.0583 9.4267 9.4267 9.8096 9.8096 10.1898 10.1898 10.3441 10.3441 10.8274 10.8274 11.1293 11.1293 11.3076 11.3076 11.4791 11.4791 11.6082 11.6082 11.7217 11.7217 12.0116 12.0116 12.2209 12.2209 13.5272 13.5272 16.4584 16.4584 17.0499 17.0499 19.2162 19.2162 k = 0.2019 0.2019-0.0000 ( 2517 PWs) bands (ev): -1.8188 -1.8188 -1.7938 -1.7938 -0.9921 -0.9921 -0.9659 -0.9659 -0.9400 -0.9400 4.3481 4.3481 8.1230 8.1230 8.6854 8.6854 8.8912 8.8912 9.0425 9.0425 9.4412 9.4412 9.7974 9.7974 10.2340 10.2340 10.3912 10.3912 10.8424 10.8424 11.1315 11.1315 11.3294 11.3294 11.4931 11.4931 11.6452 11.6452 11.7515 11.7515 12.0483 12.0483 12.2377 12.2377 13.5198 13.5198 16.5724 16.5724 16.9893 16.9893 19.0404 19.0404 k = 0.1923 0.1923-0.0000 ( 2517 PWs) bands (ev): -1.8202 -1.8202 -1.7950 -1.7950 -0.9939 -0.9939 -0.9683 -0.9683 -0.9405 -0.9405 4.2828 4.2828 8.1064 8.1064 8.7302 8.7302 8.8784 8.8784 9.0264 9.0264 9.4551 9.4551 9.7834 9.7834 10.2791 10.2791 10.4454 10.4454 10.8582 10.8582 11.1346 11.1346 11.3517 11.3517 11.5066 11.5066 11.6824 11.6824 11.7821 11.7821 12.0853 12.0853 12.2542 12.2542 13.5110 13.5110 16.5788 16.5788 17.0400 17.0400 18.8671 18.8671 k = 0.1827 0.1827-0.0000 ( 2517 PWs) bands (ev): -1.8216 -1.8216 -1.7963 -1.7963 -0.9956 -0.9956 -0.9706 -0.9706 -0.9409 -0.9409 4.2203 4.2203 8.0892 8.0892 8.7713 8.7713 8.8659 8.8659 9.0102 9.0102 9.4682 9.4682 9.7684 9.7684 10.3249 10.3249 10.5053 10.5053 10.8748 10.8748 11.1388 11.1388 11.3742 11.3742 11.5198 11.5198 11.7196 11.7196 11.8133 11.8133 12.1227 12.1227 12.2703 12.2703 13.5006 13.5006 16.4996 16.4996 17.1789 17.1789 18.6968 18.6968 k = 0.1731 0.1731-0.0000 ( 2515 PWs) bands (ev): -1.8230 -1.8230 -1.7975 -1.7975 -0.9973 -0.9973 -0.9728 -0.9728 -0.9414 -0.9414 4.1606 4.1606 8.0717 8.0717 8.8081 8.8081 8.8541 8.8541 8.9941 8.9941 9.4807 9.4807 9.7528 9.7528 10.3713 10.3713 10.5694 10.5694 10.8927 10.8927 11.1443 11.1443 11.3968 11.3968 11.5329 11.5329 11.7567 11.7567 11.8448 11.8448 12.1603 12.1603 12.2862 12.2862 13.4884 13.4884 16.3928 16.3928 17.3466 17.3466 18.5303 18.5303 k = 0.1635 0.1635-0.0000 ( 2515 PWs) bands (ev): -1.8243 -1.8243 -1.7987 -1.7987 -0.9989 -0.9989 -0.9750 -0.9750 -0.9419 -0.9419 4.1040 4.1040 8.0540 8.0540 8.8339 8.8339 8.8499 8.8499 8.9783 8.9783 9.4924 9.4924 9.7372 9.7372 10.4180 10.4180 10.6355 10.6355 10.9127 10.9127 11.1514 11.1514 11.4193 11.4193 11.5463 11.5463 11.7935 11.7935 11.8765 11.8765 12.1982 12.1982 12.3018 12.3018 13.4742 13.4742 16.2788 16.2788 17.5195 17.5195 18.3684 18.3684 k = 0.1538 0.1538-0.0000 ( 2519 PWs) bands (ev): -1.8257 -1.8257 -1.7998 -1.7998 -1.0006 -1.0006 -0.9772 -0.9772 -0.9423 -0.9423 4.0503 4.0503 8.0364 8.0364 8.8272 8.8272 8.8747 8.8747 8.9629 8.9629 9.5034 9.5034 9.7217 9.7217 10.4646 10.4646 10.7003 10.7003 10.9364 10.9364 11.1606 11.1606 11.4415 11.4415 11.5601 11.5601 11.8296 11.8296 11.9083 11.9083 12.2362 12.2362 12.3172 12.3172 13.4577 13.4577 16.1641 16.1641 17.6845 17.6845 18.2131 18.2131 k = 0.1442 0.1442-0.0000 ( 2523 PWs) bands (ev): -1.8269 -1.8269 -1.8010 -1.8010 -1.0021 -1.0021 -0.9792 -0.9792 -0.9428 -0.9428 3.9996 3.9996 8.0191 8.0191 8.8160 8.8160 8.9004 8.9004 8.9484 8.9484 9.5138 9.5138 9.7068 9.7068 10.5107 10.5107 10.7594 10.7594 10.9664 10.9664 11.1725 11.1725 11.4630 11.4630 11.5749 11.5749 11.8648 11.8648 11.9402 11.9402 12.2742 12.2742 12.3324 12.3324 13.4387 13.4387 16.0510 16.0510 17.8198 17.8198 18.0721 18.0721 k = 0.1346 0.1346-0.0000 ( 2517 PWs) bands (ev): -1.8281 -1.8281 -1.8020 -1.8020 -1.0035 -1.0035 -0.9811 -0.9811 -0.9432 -0.9432 3.9520 3.9520 8.0022 8.0022 8.8048 8.8048 8.9200 8.9200 8.9377 8.9377 9.5235 9.5235 9.6927 9.6927 10.5559 10.5559 10.8077 10.8077 11.0051 11.0051 11.1889 11.1889 11.4836 11.4836 11.5913 11.5913 11.8989 11.8989 11.9721 11.9721 12.3121 12.3121 12.3475 12.3475 13.4170 13.4170 15.9410 15.9410 17.8444 17.8444 17.9973 17.9973 k = 0.1250 0.1250-0.0000 ( 2515 PWs) bands (ev): -1.8292 -1.8292 -1.8030 -1.8030 -1.0049 -1.0049 -0.9829 -0.9829 -0.9437 -0.9437 3.9076 3.9076 7.9859 7.9859 8.7937 8.7937 8.9165 8.9165 8.9481 8.9481 9.5326 9.5326 9.6794 9.6794 10.5997 10.5997 10.8428 10.8428 11.0503 11.0503 11.2125 11.2125 11.5028 11.5028 11.6103 11.6103 11.9313 11.9313 12.0040 12.0040 12.3496 12.3496 12.3626 12.3626 13.3923 13.3923 15.8347 15.8347 17.7336 17.7336 17.9804 17.9804 k = 0.1154 0.1154-0.0000 ( 2511 PWs) bands (ev): -1.8303 -1.8303 -1.8040 -1.8040 -1.0062 -1.0062 -0.9846 -0.9846 -0.9440 -0.9440 3.8662 3.8662 7.9703 7.9703 8.7830 8.7830 8.9048 8.9048 8.9648 8.9648 9.5411 9.5411 9.6670 9.6670 10.6418 10.6418 10.8669 10.8669 11.0933 11.0933 11.2481 11.2481 11.5203 11.5203 11.6331 11.6331 11.9617 11.9617 12.0357 12.0357 12.3770 12.3770 12.3873 12.3873 13.3644 13.3644 15.7328 15.7328 17.6037 17.6037 17.9202 17.9202 k = 0.1058 0.1058-0.0000 ( 2511 PWs) bands (ev): -1.8312 -1.8312 -1.8049 -1.8049 -1.0074 -1.0074 -0.9862 -0.9862 -0.9444 -0.9444 3.8281 3.8281 7.9555 7.9555 8.7726 8.7726 8.8932 8.8932 8.9798 8.9798 9.5489 9.5489 9.6556 9.6556 10.6817 10.6817 10.8837 10.8837 11.1264 11.1264 11.2971 11.2971 11.5357 11.5357 11.6612 11.6612 11.9900 11.9900 12.0671 12.0671 12.3920 12.3920 12.4236 12.4236 13.3330 13.3330 15.6360 15.6360 17.4767 17.4767 17.8346 17.8346 k = 0.0962 0.0962-0.0000 ( 2515 PWs) bands (ev): -1.8322 -1.8322 -1.8057 -1.8057 -1.0086 -1.0086 -0.9877 -0.9877 -0.9448 -0.9448 3.7932 3.7932 7.9416 7.9416 8.7628 8.7628 8.8825 8.8825 8.9926 8.9926 9.5560 9.5560 9.6452 9.6452 10.7191 10.7191 10.8960 10.8960 11.1496 11.1496 11.3538 11.3538 11.5490 11.5490 11.6967 11.6967 12.0158 12.0158 12.0978 12.0978 12.4069 12.4069 12.4593 12.4593 13.2980 13.2980 15.5448 15.5448 17.3560 17.3560 17.7420 17.7420 k = 0.0865 0.0865-0.0000 ( 2515 PWs) bands (ev): -1.8330 -1.8330 -1.8065 -1.8065 -1.0096 -1.0096 -0.9891 -0.9891 -0.9451 -0.9451 3.7615 3.7615 7.9288 7.9288 8.7535 8.7535 8.8728 8.8728 9.0036 9.0036 9.5625 9.5625 9.6359 9.6359 10.7536 10.7536 10.9056 10.9056 11.1664 11.1664 11.4098 11.4098 11.5604 11.5604 11.7413 11.7413 12.0393 12.0393 12.1277 12.1277 12.4216 12.4216 12.4939 12.4939 13.2591 13.2591 15.4596 15.4596 17.2434 17.2434 17.6506 17.6506 k = 0.0769 0.0769-0.0000 ( 2515 PWs) bands (ev): -1.8338 -1.8338 -1.8072 -1.8072 -1.0106 -1.0106 -0.9903 -0.9903 -0.9454 -0.9454 3.7331 3.7331 7.9171 7.9171 8.7449 8.7449 8.8640 8.8640 9.0127 9.0127 9.5684 9.5684 9.6277 9.6277 10.7846 10.7846 10.9135 10.9135 11.1796 11.1796 11.4590 11.4590 11.5700 11.5700 11.7957 11.7957 12.0602 12.0602 12.1566 12.1566 12.4361 12.4361 12.5271 12.5271 13.2162 13.2162 15.3812 15.3812 17.1397 17.1397 17.5641 17.5641 k = 0.0673 0.0673-0.0000 ( 2519 PWs) bands (ev): -1.8345 -1.8345 -1.8079 -1.8079 -1.0114 -1.0114 -0.9915 -0.9915 -0.9457 -0.9457 3.7080 3.7080 7.9066 7.9066 8.7370 8.7370 8.8564 8.8564 9.0203 9.0203 9.5736 9.5736 9.6205 9.6205 10.8119 10.8119 10.9204 10.9204 11.1903 11.1903 11.4990 11.4990 11.5781 11.5781 11.8584 11.8584 12.0787 12.0787 12.1844 12.1844 12.4501 12.4501 12.5589 12.5589 13.1696 13.1696 15.3100 15.3100 17.0459 17.0459 17.4848 17.4848 k = 0.0577 0.0577-0.0000 ( 2521 PWs) bands (ev): -1.8351 -1.8351 -1.8084 -1.8084 -1.0122 -1.0122 -0.9924 -0.9924 -0.9460 -0.9460 3.6862 3.6862 7.8974 7.8974 8.7300 8.7300 8.8498 8.8498 9.0265 9.0265 9.5781 9.5781 9.6144 9.6144 10.8350 10.8350 10.9270 10.9270 11.1992 11.1992 11.5302 11.5302 11.5849 11.5849 11.9255 11.9255 12.0948 12.0948 12.2116 12.2116 12.4634 12.4634 12.5892 12.5892 13.1192 13.1192 15.2467 15.2467 16.9628 16.9628 17.4140 17.4140 k = 0.0481 0.0481-0.0000 ( 2515 PWs) bands (ev): -1.8356 -1.8356 -1.8089 -1.8089 -1.0127 -1.0127 -0.9932 -0.9932 -0.9462 -0.9462 3.6677 3.6677 7.8895 7.8895 8.7239 8.7239 8.8442 8.8442 9.0314 9.0314 9.5820 9.5820 9.6094 9.6094 10.8536 10.8536 10.9336 10.9336 11.2067 11.2067 11.5541 11.5541 11.5906 11.5906 11.9919 11.9919 12.1084 12.1084 12.2392 12.2392 12.4755 12.4755 12.6180 12.6180 13.0656 13.0656 15.1919 15.1919 16.8910 16.8910 17.3527 17.3527 k = 0.0385 0.0385-0.0000 ( 2515 PWs) bands (ev): -1.8360 -1.8360 -1.8093 -1.8093 -1.0133 -1.0133 -0.9939 -0.9939 -0.9463 -0.9463 3.6526 3.6526 7.8830 7.8830 8.7188 8.7188 8.8397 8.8397 9.0352 9.0352 9.5851 9.5851 9.6053 9.6053 10.8676 10.8676 10.9401 10.9401 11.2127 11.2127 11.5721 11.5721 11.5951 11.5951 12.0515 12.0515 12.1196 12.1196 12.2685 12.2685 12.4858 12.4858 12.6460 12.6460 13.0096 13.0096 15.1461 15.1461 16.8312 16.8312 17.3016 17.3016 k = 0.0288 0.0288-0.0000 ( 2511 PWs) bands (ev): -1.8363 -1.8363 -1.8095 -1.8095 -1.0137 -1.0137 -0.9944 -0.9944 -0.9464 -0.9464 3.6408 3.6408 7.8779 7.8779 8.7148 8.7148 8.8362 8.8362 9.0381 9.0381 9.5875 9.5875 9.6022 9.6022 10.8775 10.8775 10.9464 10.9464 11.2173 11.2173 11.5852 11.5852 11.5986 11.5986 12.0989 12.0989 12.1283 12.1283 12.3003 12.3003 12.4939 12.4939 12.6741 12.6741 12.9525 12.9525 15.1098 15.1098 16.7841 16.7841 17.2612 17.2612 k = 0.0192 0.0192-0.0000 ( 2507 PWs) bands (ev): -1.8365 -1.8365 -1.8097 -1.8097 -1.0139 -1.0139 -0.9947 -0.9947 -0.9465 -0.9465 3.6324 3.6324 7.8742 7.8742 8.7119 8.7119 8.8337 8.8337 9.0401 9.0401 9.5892 9.5892 9.6001 9.6001 10.8838 10.8838 10.9515 10.9515 11.2207 11.2207 11.5942 11.5942 11.6011 11.6011 12.1309 12.1309 12.1351 12.1351 12.3319 12.3319 12.4992 12.4992 12.7039 12.7039 12.8964 12.8964 15.0836 15.0836 16.7501 16.7501 17.2321 17.2321 k = 0.0096 0.0096-0.0000 ( 2511 PWs) bands (ev): -1.8367 -1.8367 -1.8099 -1.8099 -1.0141 -1.0141 -0.9950 -0.9950 -0.9466 -0.9466 3.6273 3.6273 7.8720 7.8720 8.7101 8.7101 8.8322 8.8322 9.0412 9.0412 9.5901 9.5901 9.5988 9.5988 10.8873 10.8873 10.9549 10.9549 11.2227 11.2227 11.5995 11.5995 11.6026 11.6026 12.1379 12.1379 12.1499 12.1499 12.3564 12.3564 12.5019 12.5019 12.7360 12.7360 12.8455 12.8455 15.0677 15.0677 16.7295 16.7295 17.2145 17.2145 k = 0.0000 0.0000 0.0000 ( 2511 PWs) bands (ev): -1.8367 -1.8367 -1.8100 -1.8100 -1.0142 -1.0142 -0.9950 -0.9950 -0.9466 -0.9466 3.6256 3.6256 7.8712 7.8712 8.7095 8.7095 8.8317 8.8317 9.0416 9.0416 9.5904 9.5904 9.5985 9.5985 10.8884 10.8884 10.9561 10.9561 11.2233 11.2233 11.6012 11.6012 11.6031 11.6031 12.1392 12.1392 12.1556 12.1556 12.3658 12.3658 12.5027 12.5027 12.7580 12.7580 12.8166 12.8166 15.0623 15.0623 16.7226 16.7226 17.2086 17.2086 k = 0.0000 0.0000 0.0000 ( 2511 PWs) bands (ev): -1.8367 -1.8367 -1.8100 -1.8100 -1.0142 -1.0142 -0.9950 -0.9950 -0.9466 -0.9466 3.6256 3.6256 7.8712 7.8712 8.7095 8.7095 8.8317 8.8317 9.0416 9.0416 9.5904 9.5904 9.5985 9.5985 10.8884 10.8884 10.9561 10.9561 11.2233 11.2233 11.6012 11.6012 11.6031 11.6031 12.1392 12.1392 12.1556 12.1556 12.3658 12.3658 12.5027 12.5027 12.7580 12.7580 12.8166 12.8166 15.0623 15.0623 16.7226 16.7226 17.2086 17.2086 k = 0.0000 0.0000 0.0138 ( 2511 PWs) bands (ev): -1.8366 -1.8366 -1.8099 -1.8099 -1.0140 -1.0140 -0.9950 -0.9950 -0.9466 -0.9466 3.6274 3.6274 7.8719 7.8719 8.7097 8.7097 8.8314 8.8314 9.0418 9.0418 9.5906 9.5906 9.5980 9.5980 10.8853 10.8853 10.9545 10.9545 11.2213 11.2213 11.6011 11.6011 11.6023 11.6023 12.1323 12.1323 12.1498 12.1498 12.3701 12.3701 12.5106 12.5106 12.7498 12.7498 12.8354 12.8354 15.0489 15.0489 16.7229 16.7229 17.2100 17.2100 k = 0.0000 0.0000 0.0277 ( 2519 PWs) bands (ev): -1.8364 -1.8364 -1.8098 -1.8098 -1.0136 -1.0136 -0.9950 -0.9950 -0.9465 -0.9465 3.6328 3.6328 7.8740 7.8740 8.7102 8.7102 8.8306 8.8306 9.0423 9.0423 9.5913 9.5913 9.5964 9.5964 10.8763 10.8763 10.9494 10.9494 11.2153 11.2153 11.6000 11.6000 11.6009 11.6009 12.1147 12.1147 12.1335 12.1335 12.3786 12.3786 12.5358 12.5358 12.7376 12.7376 12.8786 12.8786 15.0093 15.0093 16.7235 16.7235 17.2136 17.2136 k = 0.0000 0.0000 0.0415 ( 2519 PWs) bands (ev): -1.8359 -1.8359 -1.8096 -1.8096 -1.0128 -1.0128 -0.9948 -0.9948 -0.9463 -0.9463 3.6417 3.6417 7.8775 7.8775 8.7111 8.7111 8.8291 8.8291 9.0432 9.0432 9.5925 9.5925 9.5939 9.5939 10.8616 10.8616 10.9409 10.9409 11.2062 11.2062 11.5963 11.5963 11.6006 11.6006 12.0917 12.0917 12.1090 12.1090 12.3843 12.3843 12.5791 12.5791 12.7284 12.7284 12.9364 12.9364 14.9454 14.9454 16.7247 16.7247 17.2181 17.2181 k = 0.0000 0.0000 0.0553 ( 2519 PWs) bands (ev): -1.8352 -1.8352 -1.8093 -1.8093 -1.0117 -1.0117 -0.9945 -0.9945 -0.9461 -0.9461 3.6542 3.6542 7.8823 7.8823 8.7124 8.7124 8.8270 8.8270 9.0441 9.0441 9.5903 9.5903 9.5944 9.5944 10.8416 10.8416 10.9289 10.9289 11.1947 11.1947 11.5914 11.5914 11.6002 11.6002 12.0674 12.0674 12.0787 12.0787 12.3849 12.3849 12.6381 12.6381 12.7222 12.7222 13.0059 13.0059 14.8601 14.8601 16.7263 16.7263 17.2218 17.2218 k = 0.0000 0.0000 0.0691 ( 2519 PWs) bands (ev): -1.8343 -1.8343 -1.8089 -1.8089 -1.0103 -1.0103 -0.9942 -0.9942 -0.9458 -0.9458 3.6703 3.6703 7.8884 7.8884 8.7139 8.7139 8.8242 8.8242 9.0449 9.0449 9.5856 9.5856 9.5971 9.5971 10.8169 10.8169 10.9134 10.9134 11.1820 11.1820 11.5852 11.5852 11.5996 11.5996 12.0436 12.0436 12.0450 12.0450 12.3814 12.3814 12.7092 12.7092 12.7181 12.7181 13.0849 13.0849 14.7566 14.7566 16.7284 16.7284 17.2228 17.2228 k = 0.0000 0.0000 0.0830 ( 2511 PWs) bands (ev): -1.8331 -1.8331 -1.8084 -1.8084 -1.0085 -1.0085 -0.9938 -0.9938 -0.9453 -0.9453 3.6899 3.6899 7.8959 7.8959 8.7158 8.7158 8.8206 8.8206 9.0454 9.0454 9.5798 9.5798 9.6010 9.6010 10.7881 10.7881 10.8946 10.8946 11.1690 11.1690 11.5781 11.5781 11.5987 11.5987 12.0093 12.0093 12.0209 12.0209 12.3749 12.3749 12.7154 12.7154 12.7894 12.7894 13.1719 13.1719 14.6382 14.6382 16.7310 16.7310 17.2195 17.2195 k = 0.0000 0.0000 0.0968 ( 2511 PWs) bands (ev): -1.8318 -1.8318 -1.8079 -1.8079 -1.0064 -1.0064 -0.9934 -0.9934 -0.9449 -0.9449 3.7130 3.7130 7.9047 7.9047 8.7181 8.7181 8.8162 8.8162 9.0452 9.0452 9.5727 9.5727 9.6062 9.6062 10.7560 10.7560 10.8729 10.8729 11.1562 11.1562 11.5701 11.5701 11.5977 11.5977 11.9725 11.9725 11.9996 11.9996 12.3661 12.3661 12.7136 12.7136 12.8770 12.8770 13.2654 13.2654 14.5084 14.5084 16.7341 16.7341 17.2107 17.2107 k = 0.0000 0.0000 0.1106 ( 2511 PWs) bands (ev): -1.8303 -1.8303 -1.8073 -1.8073 -1.0041 -1.0041 -0.9930 -0.9930 -0.9444 -0.9444 3.7398 3.7398 7.9147 7.9147 8.7206 8.7206 8.8107 8.8107 9.0439 9.0439 9.5643 9.5643 9.6132 9.6132 10.7214 10.7214 10.8489 10.8489 11.1441 11.1441 11.5612 11.5612 11.5963 11.5963 11.9351 11.9351 11.9795 11.9795 12.3555 12.3555 12.7125 12.7125 12.9706 12.9706 13.3640 13.3640 14.3704 14.3704 16.7378 16.7378 17.1956 17.1956 k = 0.0000 0.0000 0.1244 ( 2519 PWs) bands (ev): -1.8287 -1.8287 -1.8067 -1.8067 -1.0015 -1.0015 -0.9925 -0.9925 -0.9439 -0.9439 3.7700 3.7700 7.9260 7.9260 8.7234 8.7234 8.8041 8.8041 9.0412 9.0412 9.5544 9.5544 9.6221 9.6221 10.6850 10.6850 10.8234 10.8234 11.1328 11.1328 11.5515 11.5515 11.5945 11.5945 11.8974 11.8974 11.9603 11.9603 12.3435 12.3435 12.7118 12.7118 13.0696 13.0696 13.4656 13.4656 14.2278 14.2278 16.7421 16.7421 17.1739 17.1739 k = 0.0000 0.0000 0.1383 ( 2519 PWs) bands (ev): -1.8270 -1.8270 -1.8060 -1.8060 -0.9987 -0.9987 -0.9920 -0.9920 -0.9433 -0.9433 3.8038 3.8038 7.9384 7.9384 8.7265 8.7265 8.7962 8.7962 9.0368 9.0368 9.5431 9.5431 9.6334 9.6334 10.6476 10.6476 10.7971 10.7971 11.1224 11.1224 11.5410 11.5410 11.5922 11.5922 11.8595 11.8595 11.9420 11.9420 12.3302 12.3302 12.7114 12.7114 13.1731 13.1731 13.5663 13.5663 14.0862 14.0862 16.7471 16.7471 17.1456 17.1456 k = 0.0000 0.0000 0.1521 ( 2515 PWs) bands (ev): -1.8250 -1.8250 -1.8052 -1.8052 -0.9955 -0.9955 -0.9914 -0.9914 -0.9426 -0.9426 3.8410 3.8410 7.9520 7.9520 8.7299 8.7299 8.7869 8.7869 9.0304 9.0304 9.5302 9.5302 9.6473 9.6473 10.6100 10.6100 10.7708 10.7708 11.1128 11.1128 11.5297 11.5297 11.5894 11.5894 11.8215 11.8215 11.9242 11.9242 12.3161 12.3161 12.7113 12.7113 13.2808 13.2808 13.6503 13.6503 13.9627 13.9627 16.7527 16.7527 17.1110 17.1110 k = 0.0000 0.0000 0.1659 ( 2515 PWs) bands (ev): -1.8229 -1.8229 -1.8044 -1.8044 -0.9921 -0.9921 -0.9907 -0.9907 -0.9419 -0.9419 3.8818 3.8818 7.9667 7.9667 8.7336 8.7336 8.7759 8.7759 9.0218 9.0218 9.5156 9.5156 9.6640 9.6640 10.5727 10.5727 10.7451 10.7451 11.1038 11.1038 11.5173 11.5173 11.5858 11.5858 11.7832 11.7832 11.9070 11.9070 12.3012 12.3012 12.7114 12.7114 13.3921 13.3921 13.6523 13.6523 13.9239 13.9239 16.7590 16.7590 17.0703 17.0703 k = 0.0000 0.0000 0.1797 ( 2515 PWs) bands (ev): -1.8208 -1.8208 -1.8035 -1.8035 -0.9900 -0.9900 -0.9885 -0.9885 -0.9411 -0.9411 3.9260 3.9260 7.9823 7.9823 8.7374 8.7374 8.7629 8.7629 9.0109 9.0109 9.4994 9.4994 9.6836 9.6836 10.5364 10.5364 10.7205 10.7205 11.0952 11.0952 11.5037 11.5037 11.5812 11.5812 11.7449 11.7449 11.8903 11.8903 12.2857 12.2857 12.7116 12.7116 13.5068 13.5068 13.5445 13.5445 13.9987 13.9987 16.7662 16.7662 17.0241 17.0241 k = 0.0000 0.0000 0.1936 ( 2523 PWs) bands (ev): -1.8186 -1.8186 -1.8026 -1.8026 -0.9894 -0.9894 -0.9848 -0.9848 -0.9404 -0.9404 3.9737 3.9737 7.9989 7.9989 8.7415 8.7415 8.7477 8.7477 8.9977 8.9977 9.4814 9.4814 9.7063 9.7063 10.5013 10.5013 10.6975 10.6975 11.0868 11.0868 11.4885 11.4885 11.5755 11.5755 11.7066 11.7066 11.8742 11.8742 12.2699 12.2699 12.7119 12.7119 13.4046 13.4046 13.6245 13.6245 14.1106 14.1106 16.7742 16.7742 16.9731 16.9731 k = 0.0000 0.0000 0.2074 ( 2507 PWs) bands (ev): -1.8162 -1.8162 -1.8015 -1.8015 -0.9885 -0.9885 -0.9807 -0.9807 -0.9394 -0.9394 4.0249 4.0249 8.0163 8.0163 8.7301 8.7301 8.7458 8.7458 8.9823 8.9823 9.4618 9.4618 9.7319 9.7319 10.4681 10.4681 10.6763 10.6763 11.0789 11.0789 11.4713 11.4713 11.5686 11.5686 11.6689 11.6689 11.8588 11.8588 12.2537 12.2537 12.7122 12.7122 13.2591 13.2591 13.7450 13.7450 14.2339 14.2339 16.7832 16.7832 16.9177 16.9177 k = 0.0000 0.0000 0.2212 ( 2507 PWs) bands (ev): -1.8137 -1.8137 -1.8005 -1.8005 -0.9878 -0.9878 -0.9766 -0.9766 -0.9385 -0.9385 4.0794 4.0794 8.0345 8.0345 8.7097 8.7097 8.7502 8.7502 8.9647 8.9647 9.4405 9.4405 9.7604 9.7604 10.4368 10.4368 10.6572 10.6572 11.0711 11.0711 11.4514 11.4514 11.5600 11.5600 11.6321 11.6321 11.8441 11.8441 12.2375 12.2375 12.7126 12.7126 13.1146 13.1146 13.8681 13.8681 14.3630 14.3630 16.7932 16.7932 16.8586 16.8586 k = 0.0000 0.0000 0.2351 ( 2507 PWs) bands (ev): -1.8113 -1.8113 -1.7995 -1.7995 -0.9870 -0.9870 -0.9723 -0.9723 -0.9375 -0.9375 4.1373 4.1373 8.0534 8.0534 8.6861 8.6861 8.7547 8.7547 8.9453 8.9453 9.4177 9.4177 9.7916 9.7916 10.4077 10.4077 10.6402 10.6402 11.0635 11.0635 11.4279 11.4279 11.5496 11.5496 11.5971 11.5971 11.8305 11.8305 12.2213 12.2213 12.7127 12.7127 12.9740 12.9740 13.9935 13.9935 14.4962 14.4962 16.7963 16.7963 16.8042 16.8042 k = 0.0000 0.0000 0.2489 ( 2511 PWs) bands (ev): -1.8088 -1.8088 -1.7985 -1.7985 -0.9863 -0.9863 -0.9679 -0.9679 -0.9365 -0.9365 4.1986 4.1986 8.0729 8.0729 8.6590 8.6590 8.7593 8.7593 8.9242 8.9242 9.3934 9.3934 9.8252 9.8252 10.3808 10.3808 10.6255 10.6255 11.0559 11.0559 11.3999 11.3999 11.5372 11.5372 11.5648 11.5648 11.8179 11.8179 12.2052 12.2052 12.7116 12.7116 12.8398 12.8398 14.1210 14.1210 14.6325 14.6325 16.7316 16.7316 16.8165 16.8165 k = 0.0000 0.0000 0.2627 ( 2511 PWs) bands (ev): -1.8063 -1.8063 -1.7974 -1.7974 -0.9855 -0.9855 -0.9634 -0.9634 -0.9355 -0.9355 4.2633 4.2633 8.0929 8.0929 8.6280 8.6280 8.7639 8.7639 8.9019 8.9019 9.3679 9.3679 9.8613 9.8613 10.3562 10.3562 10.6132 10.6132 11.0484 11.0484 11.3667 11.3667 11.5226 11.5226 11.5358 11.5358 11.8067 11.8067 12.1893 12.1893 12.6897 12.6897 12.7329 12.7329 14.2504 14.2504 14.7716 14.7716 16.6649 16.6649 16.8301 16.8301 k = 0.0000 0.0000 0.2765 ( 2507 PWs) bands (ev): -1.8037 -1.8037 -1.7963 -1.7963 -0.9848 -0.9848 -0.9588 -0.9588 -0.9344 -0.9344 4.3312 4.3312 8.1132 8.1132 8.5927 8.5927 8.7684 8.7684 8.8787 8.8787 9.3414 9.3414 9.8993 9.8993 10.3339 10.3339 10.6031 10.6031 11.0410 11.0410 11.3285 11.3285 11.5059 11.5059 11.5102 11.5102 11.7969 11.7969 12.1737 12.1737 12.5810 12.5810 12.7202 12.7202 14.3815 14.3815 14.9131 14.9131 16.5969 16.5969 16.8452 16.8452 k = 0.0000 0.0000 0.2904 ( 2507 PWs) bands (ev): -1.8011 -1.8011 -1.7952 -1.7952 -0.9840 -0.9840 -0.9542 -0.9542 -0.9334 -0.9334 4.4024 4.4024 8.1337 8.1337 8.5527 8.5527 8.7725 8.7725 8.8550 8.8550 9.3140 9.3140 9.9392 9.9392 10.3137 10.3137 10.5952 10.5952 11.0337 11.0337 11.2857 11.2857 11.4870 11.4870 11.4876 11.4876 11.7884 11.7884 12.1584 12.1584 12.4680 12.4680 12.7196 12.7196 14.5141 14.5141 15.0567 15.0567 16.5281 16.5281 16.8618 16.8618 k = 0.0000 0.0000 0.3042 ( 2515 PWs) bands (ev): -1.7987 -1.7987 -1.7941 -1.7941 -0.9833 -0.9833 -0.9496 -0.9496 -0.9324 -0.9324 4.4768 4.4768 8.1544 8.1544 8.5076 8.5076 8.7755 8.7755 8.8319 8.8319 9.2861 9.2861 9.9805 9.9805 10.2955 10.2955 10.5895 10.5895 11.0265 11.0265 11.2395 11.2395 11.4661 11.4661 11.4672 11.4672 11.7811 11.7811 12.1436 12.1436 12.3626 12.3626 12.7201 12.7201 14.6480 14.6480 15.2022 15.2022 16.4591 16.4591 16.8801 16.8801 k = 0.0000 0.0000 0.3180 ( 2515 PWs) bands (ev): -1.7962 -1.7962 -1.7931 -1.7931 -0.9825 -0.9825 -0.9450 -0.9450 -0.9313 -0.9313 4.5543 4.5543 8.1750 8.1750 8.4570 8.4570 8.7750 8.7750 8.8121 8.8121 9.2580 9.2580 10.0231 10.0231 10.2793 10.2793 10.5859 10.5859 11.0194 11.0194 11.1910 11.1910 11.4434 11.4434 11.4485 11.4485 11.7750 11.7750 12.1292 12.1292 12.2656 12.2656 12.7209 12.7209 14.7830 14.7830 15.3495 15.3495 16.3904 16.3904 16.9003 16.9003 k = 0.0000 0.0000 0.3318 ( 2503 PWs) bands (ev): -1.7937 -1.7937 -1.7919 -1.7919 -0.9817 -0.9817 -0.9403 -0.9403 -0.9302 -0.9302 4.6350 4.6350 8.1955 8.1955 8.4006 8.4006 8.7643 8.7643 8.8024 8.8024 9.2299 9.2299 10.0665 10.0665 10.2648 10.2648 10.5844 10.5844 11.0125 11.0125 11.1414 11.1414 11.4192 11.4192 11.4309 11.4309 11.7697 11.7697 12.1154 12.1154 12.1771 12.1771 12.7218 12.7218 14.9189 14.9189 15.4982 15.4982 16.3227 16.3227 16.9226 16.9226 k = 0.0000 0.0000 0.3457 ( 2503 PWs) bands (ev): -1.7913 -1.7913 -1.7909 -1.7909 -0.9810 -0.9810 -0.9358 -0.9358 -0.9291 -0.9291 4.7188 4.7188 8.2156 8.2156 8.3381 8.3381 8.7442 8.7442 8.8023 8.8023 9.2022 9.2022 10.1105 10.1105 10.2519 10.2519 10.5848 10.5848 11.0058 11.0058 11.0915 11.0915 11.3937 11.3937 11.4143 11.4143 11.7651 11.7651 12.0969 12.0969 12.1022 12.1022 12.7228 12.7228 15.0553 15.0553 15.6478 15.6478 16.2567 16.2567 16.9471 16.9471 k = 0.0000 0.0000 0.3595 ( 2495 PWs) bands (ev): -1.7898 -1.7898 -1.7889 -1.7889 -0.9802 -0.9802 -0.9312 -0.9312 -0.9281 -0.9281 4.8056 4.8056 8.2351 8.2351 8.2696 8.2696 8.7213 8.7213 8.8054 8.8054 9.1751 9.1751 10.1547 10.1547 10.2406 10.2406 10.5871 10.5871 10.9994 10.9994 11.0424 11.0424 11.3671 11.3671 11.3984 11.3984 11.7610 11.7610 12.0248 12.0248 12.0896 12.0896 12.7238 12.7238 15.1920 15.1920 15.7971 15.7971 16.1940 16.1940 16.9741 16.9741 k = 0.0000 0.0000 0.3733 ( 2499 PWs) bands (ev): -1.7888 -1.7888 -1.7867 -1.7867 -0.9796 -0.9796 -0.9271 -0.9271 -0.9269 -0.9269 4.8953 4.8953 8.1943 8.1943 8.2545 8.2545 8.6981 8.6981 8.8093 8.8093 9.1490 9.1490 10.1988 10.1988 10.2305 10.2305 10.5910 10.5910 10.9932 10.9932 10.9948 10.9948 11.3398 11.3398 11.3831 11.3831 11.7571 11.7571 11.9601 11.9601 12.0778 12.0778 12.7249 12.7249 15.3285 15.3285 15.9399 15.9399 16.1410 16.1410 17.0038 17.0038 k = 0.0000 0.0000 0.3872 ( 2499 PWs) bands (ev): -1.7879 -1.7879 -1.7845 -1.7845 -0.9790 -0.9790 -0.9261 -0.9261 -0.9227 -0.9227 4.9879 4.9879 8.1132 8.1132 8.2727 8.2727 8.6752 8.6752 8.8134 8.8134 9.1242 9.1242 10.2217 10.2217 10.2423 10.2423 10.5966 10.5966 10.9496 10.9496 10.9873 10.9873 11.3120 11.3120 11.3683 11.3683 11.7534 11.7534 11.9024 11.9024 12.0668 12.0668 12.7260 12.7260 15.4646 15.4646 16.0188 16.0188 16.1554 16.1554 17.0365 17.0365 k = 0.0000 0.0000 0.4010 ( 2499 PWs) bands (ev): -1.7870 -1.7870 -1.7825 -1.7825 -0.9784 -0.9784 -0.9251 -0.9251 -0.9186 -0.9186 5.0832 5.0832 8.0262 8.0262 8.2900 8.2900 8.6532 8.6532 8.8176 8.8176 9.1008 9.1008 10.2141 10.2141 10.2850 10.2850 10.6038 10.6038 10.9072 10.9072 10.9819 10.9819 11.2839 11.2839 11.3542 11.3542 11.7496 11.7496 11.8510 11.8510 12.0565 12.0565 12.7270 12.7270 15.5995 15.5995 15.9852 15.9852 16.2862 16.2862 17.0724 17.0724 k = 0.0000 0.0000 0.4148 ( 2483 PWs) bands (ev): -1.7860 -1.7860 -1.7805 -1.7805 -0.9776 -0.9776 -0.9242 -0.9242 -0.9146 -0.9146 5.1813 5.1813 7.9335 7.9335 8.3063 8.3063 8.6321 8.6321 8.8217 8.8217 9.0791 9.0791 10.2076 10.2076 10.3265 10.3265 10.6125 10.6125 10.8682 10.8682 10.9769 10.9769 11.2558 11.2558 11.3407 11.3407 11.7456 11.7456 11.8053 11.8053 12.0472 12.0472 12.7281 12.7281 15.7329 15.7329 15.9343 15.9343 16.4382 16.4382 17.1120 17.1120 k = 0.0000 0.0000 0.4286 ( 2484 PWs) bands (ev): -1.7852 -1.7852 -1.7787 -1.7787 -0.9771 -0.9771 -0.9233 -0.9233 -0.9110 -0.9110 5.2819 5.2819 7.8355 7.8355 8.3213 8.3213 8.6123 8.6123 8.8257 8.8257 9.0592 9.0592 10.2021 10.2021 10.3662 10.3662 10.6225 10.6225 10.8325 10.8325 10.9723 10.9723 11.2279 11.2279 11.3278 11.3278 11.7413 11.7413 11.7648 11.7648 12.0388 12.0388 12.7292 12.7292 15.8638 15.8638 15.8834 15.8834 16.5942 16.5942 17.1554 17.1554 k = 0.0000 0.0000 0.4425 ( 2484 PWs) bands (ev): -1.7844 -1.7844 -1.7770 -1.7770 -0.9766 -0.9766 -0.9225 -0.9225 -0.9076 -0.9076 5.3849 5.3849 7.7329 7.7329 8.3351 8.3351 8.5938 8.5938 8.8294 8.8294 9.0412 9.0412 10.1974 10.1974 10.4038 10.4038 10.6338 10.6338 10.8004 10.8004 10.9684 10.9684 11.2004 11.2004 11.3158 11.3158 11.7291 11.7291 11.7368 11.7368 12.0314 12.0314 12.7302 12.7302 15.8351 15.8351 15.9914 15.9914 16.7519 16.7519 17.2031 17.2031 k = 0.0000 0.0000 0.4563 ( 2488 PWs) bands (ev): -1.7838 -1.7838 -1.7754 -1.7754 -0.9762 -0.9762 -0.9218 -0.9218 -0.9043 -0.9043 5.4903 5.4903 7.6262 7.6262 8.3476 8.3476 8.5767 8.5767 8.8329 8.8329 9.0252 9.0252 10.1936 10.1936 10.4388 10.4388 10.6460 10.6460 10.7718 10.7718 10.9648 10.9648 11.1736 11.1736 11.3048 11.3048 11.6977 11.6977 11.7320 11.7320 12.0249 12.0249 12.7311 12.7311 15.7902 15.7902 16.1146 16.1146 16.9104 16.9104 17.2554 17.2554 k = 0.0000 0.0000 0.4701 ( 2500 PWs) bands (ev): -1.7832 -1.7832 -1.7741 -1.7741 -0.9759 -0.9759 -0.9212 -0.9212 -0.9015 -0.9015 5.5978 5.5978 7.5161 7.5161 8.3586 8.3586 8.5612 8.5612 8.8361 8.8361 9.0112 9.0112 10.1906 10.1906 10.4708 10.4708 10.6591 10.6591 10.7466 10.7466 10.9620 10.9620 11.1476 11.1476 11.2945 11.2945 11.6703 11.6703 11.7271 11.7271 12.0193 12.0193 12.7320 12.7320 15.7491 15.7491 16.2321 16.2321 17.0692 17.0692 17.3124 17.3124 k = 0.0000 0.0000 0.4839 ( 2508 PWs) bands (ev): -1.7827 -1.7827 -1.7730 -1.7730 -0.9756 -0.9756 -0.9206 -0.9206 -0.8989 -0.8989 5.7071 5.7071 7.4031 7.4031 8.3682 8.3682 8.5473 8.5473 8.8390 8.8390 8.9992 8.9992 10.1882 10.1882 10.4997 10.4997 10.6728 10.6728 10.7248 10.7248 10.9597 10.9597 11.1230 11.1230 11.2852 11.2852 11.6467 11.6467 11.7220 11.7220 12.0147 12.0147 12.7328 12.7328 15.7122 15.7122 16.3424 16.3424 17.2278 17.2278 17.3742 17.3742 k = 0.0000 0.0000 0.4978 ( 2512 PWs) bands (ev): -1.7822 -1.7822 -1.7719 -1.7719 -0.9753 -0.9753 -0.9201 -0.9201 -0.8967 -0.8967 5.8180 5.8180 7.2882 7.2882 8.3764 8.3764 8.5352 8.5352 8.8415 8.8415 8.9891 8.9891 10.1864 10.1864 10.5250 10.5250 10.6867 10.6867 10.7063 10.7063 10.9581 10.9581 11.0999 11.0999 11.2770 11.2770 11.6265 11.6265 11.7170 11.7170 12.0108 12.0108 12.7336 12.7336 15.6798 15.6798 16.4438 16.4438 17.3854 17.3854 17.4402 17.4402 k = 0.0000 0.0000 0.5116 ( 2500 PWs) bands (ev): -1.7817 -1.7817 -1.7709 -1.7709 -0.9749 -0.9749 -0.9195 -0.9195 -0.8947 -0.8947 5.9301 5.9301 7.1720 7.1720 8.3832 8.3832 8.5248 8.5248 8.8437 8.8437 8.9808 8.9808 10.1851 10.1851 10.5467 10.5467 10.6910 10.6910 10.7003 10.7003 10.9571 10.9571 11.0789 11.0789 11.2701 11.2701 11.6098 11.6098 11.7123 11.7123 12.0077 12.0077 12.7342 12.7342 15.6520 15.6520 16.5344 16.5344 17.5094 17.5094 17.5410 17.5410 k = 0.0000 0.0000 0.5254 ( 2508 PWs) bands (ev): -1.7814 -1.7814 -1.7702 -1.7702 -0.9748 -0.9748 -0.9192 -0.9192 -0.8931 -0.8931 6.0424 6.0424 7.0558 7.0558 8.3886 8.3886 8.5162 8.5162 8.8455 8.8455 8.9743 8.9743 10.1842 10.1842 10.5646 10.5646 10.6785 10.6785 10.7128 10.7128 10.9565 10.9565 11.0603 11.0603 11.2643 11.2643 11.5962 11.5962 11.7080 11.7080 12.0053 12.0053 12.7348 12.7348 15.6290 15.6290 16.6123 16.6123 17.5793 17.5793 17.6925 17.6925 k = 0.0000 0.0000 0.5392 ( 2508 PWs) bands (ev): -1.7811 -1.7811 -1.7696 -1.7696 -0.9746 -0.9746 -0.9189 -0.9189 -0.8918 -0.8918 6.1538 6.1538 6.9412 6.9412 8.3927 8.3927 8.5095 8.5095 8.8470 8.8470 8.9693 8.9693 10.1835 10.1835 10.5785 10.5785 10.6689 10.6689 10.7237 10.7237 10.9562 10.9562 11.0448 11.0448 11.2597 11.2597 11.5858 11.5858 11.7045 11.7045 12.0036 12.0036 12.7352 12.7352 15.6111 15.6111 16.6756 16.6756 17.6460 17.6460 17.8365 17.8365 k = 0.0000 0.0000 0.5531 ( 2512 PWs) bands (ev): -1.7809 -1.7809 -1.7692 -1.7692 -0.9745 -0.9745 -0.9187 -0.9187 -0.8910 -0.8910 6.2605 6.2605 6.8319 6.8319 8.3957 8.3957 8.5047 8.5047 8.8480 8.8480 8.9658 8.9658 10.1831 10.1831 10.5886 10.5886 10.6621 10.6621 10.7322 10.7322 10.9562 10.9562 11.0330 11.0330 11.2564 11.2564 11.5784 11.5784 11.7018 11.7018 12.0023 12.0023 12.7355 12.7355 15.5981 15.5981 16.7224 16.7224 17.7031 17.7031 17.9655 17.9655 k = 0.0000 0.0000 0.5669 ( 2512 PWs) bands (ev): -1.7808 -1.7808 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8904 -0.8904 6.3524 6.3524 6.7384 6.7384 8.3974 8.3974 8.5018 8.5018 8.8486 8.8486 8.9638 8.9638 10.1829 10.1829 10.5946 10.5946 10.6580 10.6580 10.7376 10.7376 10.9562 10.9562 11.0256 11.0256 11.2544 11.2544 11.5739 11.5739 11.7001 11.7001 12.0016 12.0016 12.7357 12.7357 15.5903 15.5903 16.7513 16.7513 17.7427 17.7427 18.0633 18.0633 k = 0.0000 0.0000 0.5807 ( 2512 PWs) bands (ev): -1.7807 -1.7807 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8902 -0.8902 6.3954 6.3954 6.6949 6.6949 8.3980 8.3980 8.5009 8.5009 8.8488 8.8488 8.9631 8.9631 10.1829 10.1829 10.5967 10.5967 10.6567 10.6567 10.7394 10.7394 10.9562 10.9562 11.0231 11.0231 11.2537 11.2537 11.5725 11.5725 11.6995 11.6995 12.0014 12.0014 12.7358 12.7358 15.5877 15.5877 16.7610 16.7610 17.7570 17.7570 18.1020 18.1020 k = 0.0000 0.0000 0.5807 ( 2512 PWs) bands (ev): -1.7807 -1.7807 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8902 -0.8902 6.3954 6.3954 6.6949 6.6949 8.3980 8.3980 8.5009 8.5009 8.8488 8.8488 8.9631 8.9631 10.1829 10.1829 10.5967 10.5967 10.6567 10.6567 10.7394 10.7394 10.9562 10.9562 11.0231 11.0231 11.2537 11.2537 11.5725 11.5725 11.6995 11.6995 12.0014 12.0014 12.7358 12.7358 15.5877 15.5877 16.7610 16.7610 17.7570 17.7570 18.1020 18.1020 k = 0.0000 0.0135 0.5807 ( 2512 PWs) bands (ev): -1.7808 -1.7808 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8902 -0.8902 6.3974 6.3974 6.6950 6.6950 8.3988 8.3988 8.5008 8.5008 8.8496 8.8496 8.9632 8.9632 10.1824 10.1824 10.5961 10.5961 10.6560 10.6560 10.7388 10.7388 10.9557 10.9557 11.0249 11.0249 11.2541 11.2541 11.5733 11.5733 11.6992 11.6992 12.0009 12.0009 12.7327 12.7327 15.5886 15.5886 16.7468 16.7468 17.7224 17.7224 18.1457 18.1457 k = 0.0000 0.0270 0.5807 ( 2512 PWs) bands (ev): -1.7808 -1.7808 -1.7690 -1.7690 -0.9746 -0.9746 -0.9186 -0.9186 -0.8902 -0.8902 6.4031 6.4031 6.6956 6.6956 8.4012 8.4012 8.5008 8.5008 8.8518 8.8518 8.9636 8.9636 10.1808 10.1808 10.5945 10.5945 10.6539 10.6539 10.7369 10.7369 10.9544 10.9544 11.0300 11.0300 11.2551 11.2551 11.5757 11.5757 11.6983 11.6983 11.9996 11.9996 12.7235 12.7235 15.5910 15.5910 16.7035 16.7035 17.6522 17.6522 18.2335 18.2335 k = 0.0000 0.0405 0.5807 ( 2512 PWs) bands (ev): -1.7809 -1.7809 -1.7692 -1.7692 -0.9748 -0.9748 -0.9187 -0.9187 -0.8902 -0.8902 6.4126 6.4126 6.6965 6.6965 8.4051 8.4051 8.5006 8.5006 8.8555 8.8555 8.9642 8.9642 10.1782 10.1782 10.5916 10.5916 10.6506 10.6506 10.7340 10.7340 10.9529 10.9529 11.0376 11.0376 11.2568 11.2568 11.5797 11.5797 11.6968 11.6968 11.9975 11.9975 12.7083 12.7083 15.5947 15.5947 16.6308 16.6308 17.5802 17.5802 18.1413 18.1413 k = 0.0000 0.0541 0.5807 ( 2512 PWs) bands (ev): -1.7810 -1.7810 -1.7694 -1.7694 -0.9750 -0.9750 -0.9189 -0.9189 -0.8903 -0.8903 6.4259 6.4259 6.6977 6.6977 8.4105 8.4105 8.5005 8.5005 8.8606 8.8606 8.9652 8.9652 10.1748 10.1748 10.5872 10.5872 10.6461 10.6461 10.7303 10.7303 10.9518 10.9518 11.0470 11.0470 11.2592 11.2592 11.5853 11.5853 11.6946 11.6946 11.9945 11.9945 12.6874 12.6874 15.5991 15.5991 16.5306 16.5306 17.5141 17.5141 18.0312 18.0312 k = 0.0000 0.0676 0.5807 ( 2512 PWs) bands (ev): -1.7812 -1.7812 -1.7697 -1.7697 -0.9754 -0.9754 -0.9191 -0.9191 -0.8903 -0.8903 6.4430 6.4430 6.6993 6.6993 8.4172 8.4172 8.5003 8.5003 8.8672 8.8672 8.9666 8.9666 10.1705 10.1705 10.5812 10.5812 10.6406 10.6406 10.7259 10.7259 10.9514 10.9514 11.0573 11.0573 11.2622 11.2622 11.5926 11.5926 11.6918 11.6918 11.9908 11.9908 12.6610 12.6610 15.6032 15.6032 16.4073 16.4073 17.4482 17.4482 17.9466 17.9466 k = 0.0000 0.0811 0.5807 ( 2512 PWs) bands (ev): -1.7814 -1.7814 -1.7701 -1.7701 -0.9758 -0.9758 -0.9193 -0.9193 -0.8903 -0.8903 6.4638 6.4638 6.7013 6.7013 8.4250 8.4250 8.5003 8.5003 8.8751 8.8751 8.9686 8.9686 10.1654 10.1654 10.5733 10.5733 10.6342 10.6342 10.7212 10.7212 10.9521 10.9521 11.0682 11.0682 11.2659 11.2659 11.6016 11.6016 11.6884 11.6884 11.9863 11.9863 12.6295 12.6295 15.6057 15.6057 16.2670 16.2670 17.3740 17.3740 17.8969 17.8969 k = 0.0000 0.0946 0.5807 ( 2504 PWs) bands (ev): -1.7815 -1.7815 -1.7704 -1.7704 -0.9763 -0.9763 -0.9196 -0.9196 -0.8903 -0.8903 6.4883 6.4883 6.7036 6.7036 8.4334 8.4334 8.5006 8.5006 8.8844 8.8844 8.9713 8.9713 10.1597 10.1597 10.5636 10.5636 10.6270 10.6270 10.7163 10.7163 10.9538 10.9538 11.0792 11.0792 11.2701 11.2701 11.6122 11.6122 11.6842 11.6842 11.9812 11.9812 12.5933 12.5933 15.6044 15.6044 16.1158 16.1158 17.2893 17.2893 17.8830 17.8830 k = 0.0000 0.1081 0.5807 ( 2500 PWs) bands (ev): -1.7818 -1.7818 -1.7709 -1.7709 -0.9769 -0.9769 -0.9199 -0.9199 -0.8902 -0.8902 6.5164 6.5164 6.7062 6.7062 8.4416 8.4416 8.5020 8.5020 8.8950 8.8950 8.9749 8.9749 10.1535 10.1535 10.5520 10.5520 10.6190 10.6190 10.7113 10.7113 10.9567 10.9567 11.0899 11.0899 11.2747 11.2747 11.6245 11.6245 11.6792 11.6792 11.9754 11.9754 12.5529 12.5529 15.5952 15.5952 15.9602 15.9602 17.1995 17.1995 17.8989 17.8989 k = 0.0000 0.1216 0.5807 ( 2504 PWs) bands (ev): -1.7821 -1.7821 -1.7715 -1.7715 -0.9776 -0.9776 -0.9203 -0.9203 -0.8902 -0.8902 6.5482 6.5482 6.7093 6.7093 8.4485 8.4485 8.5054 8.5054 8.9068 8.9068 8.9797 8.9797 10.1468 10.1468 10.5389 10.5389 10.6100 10.6100 10.7061 10.7061 10.9606 10.9606 11.1001 11.1001 11.2797 11.2797 11.6385 11.6385 11.6736 11.6736 11.9692 11.9692 12.5088 12.5088 15.5692 15.5692 15.8104 15.8104 17.1118 17.1118 17.9372 17.9372 k = 0.0000 0.1351 0.5807 ( 2502 PWs) bands (ev): -1.7824 -1.7824 -1.7720 -1.7720 -0.9783 -0.9783 -0.9207 -0.9207 -0.8902 -0.8902 6.5834 6.5834 6.7126 6.7126 8.4525 8.4525 8.5121 8.5121 8.9197 8.9197 8.9858 8.9858 10.1398 10.1398 10.5246 10.5246 10.5999 10.5999 10.7008 10.7008 10.9656 10.9656 11.1096 11.1096 11.2847 11.2847 11.6536 11.6536 11.6678 11.6678 11.9626 11.9626 12.4614 12.4614 15.5020 15.5020 15.6906 15.6906 17.0329 17.0329 17.9921 17.9921 k = 0.0000 0.1486 0.5807 ( 2500 PWs) bands (ev): -1.7828 -1.7828 -1.7726 -1.7726 -0.9790 -0.9790 -0.9212 -0.9212 -0.8901 -0.8901 6.6220 6.6220 6.7164 6.7164 8.4530 8.4530 8.5227 8.5227 8.9335 8.9335 8.9936 8.9936 10.1325 10.1325 10.5092 10.5092 10.5887 10.5887 10.6954 10.6954 10.9716 10.9716 11.1183 11.1183 11.2896 11.2896 11.6574 11.6574 11.6743 11.6743 11.9558 11.9558 12.4113 12.4113 15.3759 15.3759 15.6182 15.6182 16.9675 16.9675 18.0598 18.0598 k = 0.0000 0.1622 0.5807 ( 2496 PWs) bands (ev): -1.7831 -1.7831 -1.7732 -1.7732 -0.9798 -0.9798 -0.9216 -0.9216 -0.8900 -0.8900 6.6638 6.6638 6.7207 6.7207 8.4503 8.4503 8.5366 8.5366 8.9480 8.9480 9.0033 9.0033 10.1249 10.1249 10.4931 10.4931 10.5764 10.5764 10.6896 10.6896 10.9784 10.9784 11.1263 11.1263 11.2941 11.2941 11.6494 11.6494 11.6935 11.6935 11.9488 11.9488 12.3590 12.3590 15.2207 15.2207 15.5629 15.5629 16.9191 16.9191 18.1375 18.1375 k = 0.0000 0.1757 0.5807 ( 2496 PWs) bands (ev): -1.7836 -1.7836 -1.7739 -1.7739 -0.9807 -0.9807 -0.9222 -0.9222 -0.8898 -0.8898 6.7076 6.7076 6.7267 6.7267 8.4450 8.4450 8.5530 8.5530 8.9631 8.9631 9.0152 9.0152 10.1171 10.1171 10.4766 10.4766 10.5628 10.5628 10.6833 10.6833 10.9859 10.9859 11.1334 11.1334 11.2979 11.2979 11.6397 11.6397 11.7152 11.7152 11.9418 11.9418 12.3050 12.3050 15.0579 15.0579 15.5033 15.5033 16.8894 16.8894 18.2237 18.2237 k = 0.0000 0.1892 0.5807 ( 2504 PWs) bands (ev): -1.7841 -1.7841 -1.7746 -1.7746 -0.9817 -0.9817 -0.9228 -0.9228 -0.8897 -0.8897 6.7277 6.7277 6.7598 6.7598 8.4377 8.4377 8.5713 8.5713 8.9787 8.9787 9.0295 9.0295 10.1091 10.1091 10.4598 10.4598 10.5479 10.5479 10.6764 10.6764 10.9939 10.9939 11.1397 11.1397 11.3006 11.3006 11.6288 11.6288 11.7390 11.7390 11.9350 11.9350 12.2498 12.2498 14.8941 14.8941 15.4338 15.4338 16.8787 16.8787 18.3168 18.3168 k = 0.0000 0.2027 0.5807 ( 2504 PWs) bands (ev): -1.7846 -1.7846 -1.7752 -1.7752 -0.9827 -0.9827 -0.9234 -0.9234 -0.8895 -0.8895 6.7334 6.7334 6.8107 6.8107 8.4288 8.4288 8.5909 8.5909 8.9946 8.9946 9.0462 9.0462 10.1009 10.1009 10.4430 10.4430 10.5320 10.5320 10.6688 10.6688 11.0024 11.0024 11.1452 11.1452 11.3021 11.3021 11.6165 11.6165 11.7646 11.7646 11.9288 11.9288 12.1941 12.1941 14.7324 14.7324 15.3541 15.3541 16.8860 16.8860 18.4159 18.4159 k = 0.0000 0.2162 0.5807 ( 2512 PWs) bands (ev): -1.7853 -1.7853 -1.7759 -1.7759 -0.9837 -0.9837 -0.9240 -0.9240 -0.8894 -0.8894 6.7388 6.7388 6.8651 6.8651 8.4184 8.4184 8.6115 8.6115 9.0111 9.0111 9.0651 9.0651 10.0925 10.0925 10.4263 10.4263 10.5148 10.5148 10.6602 10.6602 11.0112 11.0112 11.1499 11.1499 11.3019 11.3019 11.6030 11.6030 11.7917 11.7917 11.9234 11.9234 12.1383 12.1383 14.5740 14.5740 15.2654 15.2654 16.9092 16.9092 18.5200 18.5200 k = 0.0000 0.2297 0.5807 ( 2516 PWs) bands (ev): -1.7859 -1.7859 -1.7766 -1.7766 -0.9848 -0.9848 -0.9247 -0.9247 -0.8892 -0.8892 6.7443 6.7443 6.9223 6.9223 8.4069 8.4069 8.6329 8.6329 9.0281 9.0281 9.0862 9.0862 10.0839 10.0839 10.4098 10.4098 10.4967 10.4967 10.6505 10.6505 11.0202 11.0202 11.1540 11.1540 11.2999 11.2999 11.5881 11.5881 11.8194 11.8194 11.9197 11.9197 12.0833 12.0833 14.4200 14.4200 15.1694 15.1694 16.9464 16.9464 18.6283 18.6283 k = 0.0000 0.2432 0.5807 ( 2516 PWs) bands (ev): -1.7865 -1.7865 -1.7772 -1.7772 -0.9858 -0.9858 -0.9253 -0.9253 -0.8889 -0.8889 6.7500 6.7500 6.9821 6.9821 8.3943 8.3943 8.6549 8.6549 9.0460 9.0460 9.1090 9.1090 10.0750 10.0750 10.3938 10.3938 10.4775 10.4775 10.6395 10.6395 11.0292 11.0292 11.1574 11.1574 11.2959 11.2959 11.5720 11.5720 11.8455 11.8455 11.9194 11.9194 12.0301 12.0301 14.2713 14.2713 15.0682 15.0682 16.9955 16.9955 18.7400 18.7400 k = 0.0000 0.2568 0.5807 ( 2516 PWs) bands (ev): -1.7872 -1.7872 -1.7779 -1.7779 -0.9869 -0.9869 -0.9259 -0.9259 -0.8886 -0.8886 6.7560 6.7560 7.0444 7.0444 8.3808 8.3808 8.6772 8.6772 9.0647 9.0647 9.1334 9.1334 10.0658 10.0658 10.3783 10.3783 10.4574 10.4574 10.6268 10.6268 11.0380 11.0380 11.1602 11.1602 11.2896 11.2896 11.5546 11.5546 11.8649 11.8649 11.9240 11.9240 11.9828 11.9828 14.1286 14.1286 14.9633 14.9633 17.0547 17.0547 18.8538 18.8538 k = 0.0000 0.2703 0.5807 ( 2516 PWs) bands (ev): -1.7879 -1.7879 -1.7784 -1.7784 -0.9879 -0.9879 -0.9265 -0.9265 -0.8883 -0.8883 6.7620 6.7620 7.1089 7.1089 8.3666 8.3666 8.6999 8.6999 9.0841 9.0841 9.1592 9.1592 10.0564 10.0564 10.3633 10.3633 10.4364 10.4364 10.6124 10.6124 11.0465 11.0465 11.1623 11.1623 11.2809 11.2809 11.5364 11.5364 11.8729 11.8729 11.9097 11.9097 11.9704 11.9704 13.9926 13.9926 14.8562 14.8562 17.1226 17.1226 18.9681 18.9681 k = 0.0000 0.2838 0.5807 ( 2516 PWs) bands (ev): -1.7886 -1.7886 -1.7790 -1.7790 -0.9889 -0.9889 -0.9271 -0.9271 -0.8880 -0.8880 6.7682 6.7682 7.1753 7.1753 8.3519 8.3519 8.7226 8.7226 9.1042 9.1042 9.1862 9.1862 10.0468 10.0468 10.3488 10.3488 10.4147 10.4147 10.5959 10.5959 11.0547 11.0547 11.1637 11.1637 11.2697 11.2697 11.5174 11.5174 11.8621 11.8621 11.8792 11.8792 11.9981 11.9981 13.8637 13.8637 14.7480 14.7480 17.1978 17.1978 19.0787 19.0787 k = 0.0000 0.2973 0.5807 ( 2508 PWs) bands (ev): -1.7893 -1.7893 -1.7795 -1.7795 -0.9900 -0.9900 -0.9276 -0.9276 -0.8876 -0.8876 6.7744 6.7744 7.2433 7.2433 8.3369 8.3369 8.7454 8.7454 9.1248 9.1248 9.2143 9.2143 10.0370 10.0370 10.3345 10.3345 10.3925 10.3925 10.5771 10.5771 11.0623 11.0623 11.1646 11.1646 11.2562 11.2562 11.4981 11.4981 11.8192 11.8192 11.8759 11.8759 12.0360 12.0360 13.7426 13.7426 14.6395 14.6395 17.2795 17.2795 19.1760 19.1760 k = 0.0000 0.3108 0.5807 ( 2510 PWs) bands (ev): -1.7901 -1.7901 -1.7800 -1.7800 -0.9910 -0.9910 -0.9282 -0.9282 -0.8873 -0.8873 6.7807 6.7807 7.3126 7.3126 8.3217 8.3217 8.7680 8.7680 9.1456 9.1456 9.2433 9.2433 10.0271 10.0271 10.3199 10.3199 10.3703 10.3703 10.5557 10.5557 11.0692 11.0692 11.1647 11.1647 11.2403 11.2403 11.4790 11.4790 11.7759 11.7759 11.8740 11.8740 12.0784 12.0784 13.6296 13.6296 14.5315 14.5315 17.3669 17.3669 19.2494 19.2494 k = 0.0000 0.3243 0.5807 ( 2498 PWs) bands (ev): -1.7907 -1.7907 -1.7804 -1.7804 -0.9919 -0.9919 -0.9287 -0.9287 -0.8869 -0.8869 6.7869 6.7869 7.3828 7.3828 8.3066 8.3066 8.7905 8.7905 9.1662 9.1662 9.2730 9.2730 10.0174 10.0174 10.3042 10.3042 10.3493 10.3493 10.5318 10.5318 11.0753 11.0753 11.1642 11.1642 11.2223 11.2223 11.4603 11.4603 11.7352 11.7352 11.8723 11.8723 12.1237 12.1237 13.5252 13.5252 14.4245 14.4245 17.4592 17.4592 19.3058 19.3058 k = 0.0000 0.3378 0.5807 ( 2502 PWs) bands (ev): -1.7915 -1.7915 -1.7808 -1.7808 -0.9928 -0.9928 -0.9292 -0.9292 -0.8866 -0.8866 6.7931 6.7931 7.4533 7.4533 8.2917 8.2917 8.8126 8.8126 9.1862 9.1862 9.3033 9.3033 10.0079 10.0079 10.2854 10.2854 10.3309 10.3309 10.5051 10.5051 11.0805 11.0805 11.1630 11.1630 11.2029 11.2029 11.4426 11.4426 11.6973 11.6973 11.8709 11.8709 12.1714 12.1714 13.4294 13.4294 14.3192 14.3192 17.5559 17.5559 19.3561 19.3561 k = 0.0000 0.3514 0.5807 ( 2502 PWs) bands (ev): -1.7922 -1.7922 -1.7812 -1.7812 -0.9937 -0.9937 -0.9297 -0.9297 -0.8863 -0.8863 6.7991 6.7991 7.5238 7.5238 8.2772 8.2772 8.8345 8.8345 9.2050 9.2050 9.3341 9.3341 9.9990 9.9990 10.2628 10.2628 10.3161 10.3161 10.4758 10.4758 11.0846 11.0846 11.1607 11.1607 11.1830 11.1830 11.4260 11.4260 11.6626 11.6626 11.8698 11.8698 12.2211 12.2211 13.3424 13.3424 14.2159 14.2159 17.6565 17.6565 19.4041 19.4041 k = 0.0000 0.3649 0.5807 ( 2494 PWs) bands (ev): -1.7928 -1.7928 -1.7815 -1.7815 -0.9945 -0.9945 -0.9301 -0.9301 -0.8860 -0.8860 6.8049 6.8049 7.5935 7.5935 8.2633 8.2633 8.8560 8.8560 9.2221 9.2221 9.3651 9.3651 9.9912 9.9912 10.2367 10.2367 10.3044 10.3044 10.4443 10.4443 11.0877 11.0877 11.1552 11.1552 11.1657 11.1657 11.4107 11.4107 11.6313 11.6313 11.8691 11.8691 12.2726 12.2726 13.2643 13.2643 14.1151 14.1151 17.7603 17.7603 19.4509 19.4509 k = 0.0000 0.3784 0.5807 ( 2496 PWs) bands (ev): -1.7935 -1.7935 -1.7818 -1.7818 -0.9953 -0.9953 -0.9306 -0.9306 -0.8857 -0.8857 6.8104 6.8104 7.6616 7.6616 8.2503 8.2503 8.8771 8.8771 9.2369 9.2369 9.3961 9.3961 9.9846 9.9846 10.2082 10.2082 10.2948 10.2948 10.4112 10.4112 11.0894 11.0894 11.1391 11.1391 11.1589 11.1589 11.3966 11.3966 11.6034 11.6034 11.8686 11.8686 12.3254 12.3254 13.1950 13.1950 14.0173 14.0173 17.8670 17.8670 19.4962 19.4962 k = 0.0000 0.3919 0.5807 ( 2508 PWs) bands (ev): -1.7942 -1.7942 -1.7822 -1.7822 -0.9961 -0.9961 -0.9310 -0.9310 -0.8855 -0.8855 6.8155 6.8155 7.7274 7.7274 8.2381 8.2381 8.8978 8.8978 9.2488 9.2488 9.4269 9.4269 9.9799 9.9799 10.1781 10.1781 10.2860 10.2860 10.3773 10.3773 11.0898 11.0898 11.1208 11.1208 11.1555 11.1555 11.3838 11.3838 11.5790 11.5790 11.8684 11.8684 12.3792 12.3792 13.1341 13.1341 13.9229 13.9229 17.9760 17.9760 19.5394 19.5394 k = 0.0000 0.4054 0.5807 ( 2504 PWs) bands (ev): -1.7947 -1.7947 -1.7824 -1.7824 -0.9967 -0.9967 -0.9313 -0.9313 -0.8853 -0.8853 6.8203 6.8203 7.7897 7.7897 8.2271 8.2271 8.9182 8.9182 9.2572 9.2572 9.4571 9.4571 9.9773 9.9773 10.1473 10.1473 10.2768 10.2768 10.3445 10.3445 11.0882 11.0882 11.1045 11.1045 11.1524 11.1524 11.3723 11.3723 11.5582 11.5582 11.8684 11.8684 12.4333 12.4333 13.0815 13.0815 13.8328 13.8328 18.0864 18.0864 19.5786 19.5786 k = 0.0000 0.4189 0.5807 ( 2504 PWs) bands (ev): -1.7952 -1.7952 -1.7826 -1.7826 -0.9973 -0.9973 -0.9316 -0.9316 -0.8850 -0.8850 6.8245 6.8245 7.8475 7.8475 8.2174 8.2174 8.9379 8.9379 9.2618 9.2618 9.4863 9.4863 9.9771 9.9771 10.1167 10.1167 10.2644 10.2644 10.3162 10.3162 11.0817 11.0817 11.0940 11.0940 11.1495 11.1495 11.3621 11.3621 11.5408 11.5408 11.8685 11.8685 12.4872 12.4872 13.0369 13.0369 13.7476 13.7476 18.1974 18.1974 19.6107 19.6107 k = 0.0000 0.4324 0.5807 ( 2508 PWs) bands (ev): -1.7956 -1.7956 -1.7828 -1.7828 -0.9978 -0.9978 -0.9319 -0.9319 -0.8849 -0.8849 6.8282 6.8282 7.8995 7.8995 8.2091 8.2091 8.9570 8.9570 9.2626 9.2626 9.5139 9.5139 9.9792 9.9792 10.0875 10.0875 10.2445 10.2445 10.2973 10.2973 11.0702 11.0702 11.0899 11.0899 11.1469 11.1469 11.3533 11.3533 11.5268 11.5268 11.8687 11.8687 12.5395 12.5395 12.9998 12.9998 13.6687 13.6687 18.3074 18.3074 19.6287 19.6287 k = 0.0000 0.4459 0.5807 ( 2508 PWs) bands (ev): -1.7960 -1.7960 -1.7830 -1.7830 -0.9982 -0.9982 -0.9321 -0.9321 -0.8847 -0.8847 6.8314 6.8314 7.9444 7.9444 8.2024 8.2024 8.9749 8.9749 9.2599 9.2599 9.5391 9.5391 9.9827 9.9827 10.0619 10.0619 10.2183 10.2183 10.2874 10.2874 11.0594 11.0594 11.0871 11.0871 11.1446 11.1446 11.3460 11.3460 11.5158 11.5158 11.8689 11.8689 12.5888 12.5888 12.9699 12.9699 13.5977 13.5977 18.4143 18.4143 19.6189 19.6189 k = 0.0000 0.4595 0.5807 ( 2508 PWs) bands (ev): -1.7962 -1.7962 -1.7831 -1.7831 -0.9985 -0.9985 -0.9322 -0.9322 -0.8846 -0.8846 6.8339 6.8339 7.9808 7.9808 8.1973 8.1973 8.9911 8.9911 9.2549 9.2549 9.5608 9.5608 9.9853 9.9853 10.0434 10.0434 10.1912 10.1912 10.2821 10.2821 11.0506 11.0506 11.0848 11.0848 11.1427 11.1427 11.3403 11.3403 11.5076 11.5076 11.8692 11.8692 12.6328 12.6328 12.9470 12.9470 13.5368 13.5368 18.5143 18.5143 19.5717 19.5717 k = 0.0000 0.4730 0.5807 ( 2512 PWs) bands (ev): -1.7965 -1.7965 -1.7832 -1.7832 -0.9988 -0.9988 -0.9324 -0.9324 -0.8845 -0.8845 6.8357 6.8357 8.0076 8.0076 8.1938 8.1938 9.0043 9.0043 9.2490 9.2490 9.5780 9.5780 9.9831 9.9831 10.0360 10.0360 10.1671 10.1671 10.2791 10.2791 11.0442 11.0442 11.0829 11.0829 11.1414 11.1414 11.3362 11.3362 11.5020 11.5020 11.8694 11.8694 12.6684 12.6684 12.9307 12.9307 13.4892 13.4892 18.6006 18.6006 19.5055 19.5055 k = 0.0000 0.4865 0.5807 ( 2508 PWs) bands (ev): -1.7966 -1.7966 -1.7832 -1.7832 -0.9989 -0.9989 -0.9324 -0.9324 -0.8845 -0.8845 6.8368 6.8368 8.0240 8.0240 8.1919 8.1919 9.0132 9.0132 9.2442 9.2442 9.5890 9.5890 9.9778 9.9778 10.0376 10.0376 10.1495 10.1495 10.2775 10.2775 11.0403 11.0403 11.0816 11.0816 11.1405 11.1405 11.3337 11.3337 11.4987 11.4987 11.8695 11.8695 12.6920 12.6920 12.9210 12.9210 13.4585 13.4585 18.6622 18.6622 19.4502 19.4502 k = 0.0000 0.5000 0.5807 ( 2496 PWs) bands (ev): -1.7965 -1.7965 -1.7832 -1.7832 -0.9989 -0.9989 -0.9323 -0.9323 -0.8844 -0.8844 6.8371 6.8371 8.0295 8.0295 8.1913 8.1913 9.0164 9.0164 9.2424 9.2424 9.5929 9.5929 9.9752 9.9752 10.0395 10.0395 10.1428 10.1428 10.2771 10.2771 11.0390 11.0390 11.0812 11.0812 11.1403 11.1403 11.3329 11.3329 11.4976 11.4976 11.8696 11.8696 12.7003 12.7003 12.9178 12.9178 13.4478 13.4478 18.6852 18.6852 19.4286 19.4286 k = 0.0000 0.5000 0.5807 ( 2496 PWs) bands (ev): -1.7965 -1.7965 -1.7832 -1.7832 -0.9989 -0.9989 -0.9323 -0.9323 -0.8844 -0.8844 6.8371 6.8371 8.0295 8.0295 8.1913 8.1913 9.0164 9.0164 9.2424 9.2424 9.5929 9.5929 9.9752 9.9752 10.0395 10.0395 10.1428 10.1428 10.2771 10.2771 11.0390 11.0390 11.0812 11.0812 11.1403 11.1403 11.3329 11.3329 11.4976 11.4976 11.8696 11.8696 12.7003 12.7003 12.9178 12.9178 13.4478 13.4478 18.6852 18.6852 19.4286 19.4286 k = 0.0135 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7966 -1.7966 -1.7833 -1.7833 -0.9990 -0.9990 -0.9325 -0.9325 -0.8845 -0.8845 6.8360 6.8360 8.0310 8.0310 8.1915 8.1915 9.0180 9.0180 9.2397 9.2397 9.5963 9.5963 9.9610 9.9610 10.0536 10.0536 10.1430 10.1430 10.2788 10.2788 11.0329 11.0329 11.0867 11.0867 11.1406 11.1406 11.3343 11.3343 11.4984 11.4984 11.8700 11.8700 12.6997 12.6997 12.9175 12.9175 13.4467 13.4467 18.6556 18.6556 19.4206 19.4206 k = 0.0270 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7967 -1.7967 -1.7835 -1.7835 -0.9992 -0.9992 -0.9325 -0.9325 -0.8846 -0.8846 6.8324 6.8324 8.0355 8.0355 8.1921 8.1921 9.0230 9.0230 9.2321 9.2321 9.6062 9.6062 9.9335 9.9335 10.0796 10.0796 10.1445 10.1445 10.2844 10.2844 11.0196 11.0196 11.0982 11.0982 11.1416 11.1416 11.3385 11.3385 11.5008 11.5008 11.8712 11.8712 12.6979 12.6979 12.9170 12.9170 13.4434 13.4434 18.5757 18.5757 19.3897 19.3897 k = 0.0405 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7968 -1.7968 -1.7837 -1.7837 -0.9995 -0.9995 -0.9326 -0.9326 -0.8848 -0.8848 6.8266 6.8266 8.0428 8.0428 8.1932 8.1932 9.0304 9.0304 9.2213 9.2213 9.6216 9.6216 9.9036 9.9036 10.1025 10.1025 10.1520 10.1520 10.2936 10.2936 11.0039 11.0039 11.1112 11.1112 11.1434 11.1434 11.3453 11.3453 11.5049 11.5049 11.8733 11.8733 12.6949 12.6949 12.9160 12.9160 13.4379 13.4379 18.4627 18.4627 19.3302 19.3302 k = 0.0541 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7969 -1.7969 -1.7840 -1.7840 -0.9998 -0.9998 -0.9327 -0.9327 -0.8850 -0.8850 6.8187 6.8187 8.0531 8.0531 8.1947 8.1947 9.0391 9.0391 9.2096 9.2096 9.6411 9.6411 9.8736 9.8736 10.1132 10.1132 10.1720 10.1720 10.3063 10.3063 10.9874 10.9874 11.1242 11.1242 11.1458 11.1458 11.3544 11.3544 11.5108 11.5108 11.8763 11.8763 12.6906 12.6906 12.9146 12.9146 13.4302 13.4302 18.3307 18.3307 19.2467 19.2467 k = 0.0676 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.7971 -1.7971 -1.7843 -1.7843 -1.0003 -1.0003 -0.9327 -0.9327 -0.8852 -0.8852 6.8086 6.8086 8.0660 8.0660 8.1966 8.1966 9.0464 9.0464 9.2007 9.2007 9.6636 9.6636 9.8444 9.8444 10.1149 10.1149 10.2005 10.2005 10.3230 10.3230 10.9708 10.9708 11.1366 11.1366 11.1491 11.1491 11.3653 11.3653 11.5187 11.5187 11.8800 11.8800 12.6851 12.6851 12.9127 12.9127 13.4203 13.4203 18.1884 18.1884 19.1440 19.1440 k = 0.0811 0.5000 0.5807 ( 2508 PWs) bands (ev): -1.7973 -1.7973 -1.7848 -1.7848 -1.0009 -1.0009 -0.9329 -0.9329 -0.8856 -0.8856 6.7967 6.7967 8.0815 8.0815 8.1990 8.1990 9.0486 9.0486 9.1990 9.1990 9.6880 9.6880 9.8164 9.8164 10.1136 10.1136 10.2304 10.2304 10.3441 10.3441 10.9544 10.9544 11.1477 11.1477 11.1538 11.1538 11.3774 11.3774 11.5286 11.5286 11.8846 11.8846 12.6784 12.6784 12.9103 12.9103 13.4083 13.4083 18.0408 18.0408 19.0015 19.0015 k = 0.0946 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7976 -1.7976 -1.7854 -1.7854 -1.0016 -1.0016 -0.9330 -0.9330 -0.8860 -0.8860 6.7831 6.7831 8.0993 8.0993 8.2020 8.2020 9.0428 9.0428 9.2081 9.2081 9.7133 9.7133 9.7903 9.7903 10.1116 10.1116 10.2590 10.2590 10.3701 10.3701 10.9384 10.9384 11.1549 11.1549 11.1624 11.1624 11.3904 11.3904 11.5407 11.5407 11.8899 11.8899 12.6702 12.6702 12.9072 12.9072 13.3940 13.3940 17.8911 17.8911 18.8079 18.8079 k = 0.1081 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7979 -1.7979 -1.7860 -1.7860 -1.0023 -1.0023 -0.9332 -0.9332 -0.8865 -0.8865 6.7680 6.7680 8.1189 8.1189 8.2057 8.2057 9.0291 9.0291 9.2279 9.2279 9.7372 9.7372 9.7681 9.7681 10.1097 10.1097 10.2853 10.2853 10.4012 10.4012 10.9232 10.9232 11.1602 11.1602 11.1733 11.1733 11.4038 11.4038 11.5551 11.5551 11.8961 11.8961 12.6607 12.6607 12.9035 12.9035 13.3775 13.3775 17.7410 17.7410 18.6068 18.6068 k = 0.1216 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.7983 -1.7983 -1.7867 -1.7867 -1.0032 -1.0032 -0.9334 -0.9334 -0.8869 -0.8869 6.7516 6.7516 8.1396 8.1396 8.2107 8.2107 9.0099 9.0099 9.2563 9.2563 9.7371 9.7371 9.7719 9.7719 10.1083 10.1083 10.3091 10.3091 10.4369 10.4369 10.9088 10.9088 11.1656 11.1656 11.1844 11.1844 11.4174 11.4174 11.5717 11.5717 11.9031 11.9031 12.6498 12.6498 12.8990 12.8990 13.3589 13.3589 17.5918 17.5918 18.4057 18.4057 k = 0.1351 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.7986 -1.7986 -1.7873 -1.7873 -1.0041 -1.0041 -0.9335 -0.9335 -0.8874 -0.8874 6.7342 6.7342 8.1600 8.1600 8.2182 8.2182 8.9875 8.9875 9.2910 9.2910 9.7186 9.7186 9.7963 9.7963 10.1076 10.1076 10.3314 10.3314 10.4761 10.4761 10.8955 10.8955 11.1714 11.1714 11.1955 11.1955 11.4309 11.4309 11.5903 11.5903 11.9109 11.9109 12.6373 12.6373 12.8936 12.8936 13.3380 13.3380 17.4443 17.4443 18.2064 18.2064 k = 0.1486 0.5000 0.5807 ( 2500 PWs) bands (ev): -1.7990 -1.7990 -1.7881 -1.7881 -1.0051 -1.0051 -0.9338 -0.9338 -0.8879 -0.8879 6.7158 6.7158 8.1776 8.1776 8.2302 8.2302 8.9635 8.9635 9.3302 9.3302 9.7011 9.7011 9.8217 9.8217 10.1080 10.1080 10.3529 10.3529 10.5178 10.5178 10.8833 10.8833 11.1774 11.1774 11.2066 11.2066 11.4444 11.4444 11.6106 11.6106 11.9196 11.9196 12.6233 12.6233 12.8873 12.8873 13.3151 13.3151 17.2992 17.2992 18.0100 18.0100 k = 0.1622 0.5000 0.5807 ( 2500 PWs) bands (ev): -1.7994 -1.7994 -1.7890 -1.7890 -1.0062 -1.0062 -0.9340 -0.9340 -0.8884 -0.8884 6.6967 6.6967 8.1902 8.1902 8.2488 8.2488 8.9386 8.9386 9.3728 9.3728 9.6864 9.6864 9.8466 9.8466 10.1095 10.1095 10.3741 10.3741 10.5611 10.5611 10.8725 10.8725 11.1837 11.1837 11.2178 11.2178 11.4578 11.4578 11.6322 11.6322 11.9291 11.9291 12.6076 12.6076 12.8798 12.8798 13.2900 13.2900 17.1568 17.1568 17.8172 17.8172 k = 0.1757 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.7999 -1.7999 -1.7900 -1.7900 -1.0074 -1.0074 -0.9344 -0.9344 -0.8890 -0.8890 6.6772 6.6772 8.1982 8.1982 8.2729 8.2729 8.9136 8.9136 9.4178 9.4178 9.6753 9.6753 9.8705 9.8705 10.1125 10.1125 10.3955 10.3955 10.6052 10.6052 10.8632 10.8632 11.1902 11.1902 11.2292 11.2292 11.4713 11.4713 11.6549 11.6549 11.9396 11.9396 12.5901 12.5901 12.8710 12.8710 13.2628 13.2628 17.0176 17.0176 17.6286 17.6286 k = 0.1892 0.5000 0.5807 ( 2500 PWs) bands (ev): -1.8003 -1.8003 -1.7909 -1.7909 -1.0086 -1.0086 -0.9347 -0.9347 -0.8895 -0.8895 6.6573 6.6573 8.2038 8.2038 8.3001 8.3001 8.8887 8.8887 9.4640 9.4640 9.6687 9.6687 9.8932 9.8932 10.1172 10.1172 10.4176 10.4176 10.6492 10.6492 10.8559 10.8559 11.1968 11.1968 11.2411 11.2411 11.4848 11.4848 11.6780 11.6780 11.9513 11.9513 12.5708 12.5708 12.8609 12.8609 13.2337 13.2337 16.8818 16.8818 17.4447 17.4447 k = 0.2027 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.8009 -1.8009 -1.7919 -1.7919 -1.0098 -1.0098 -0.9350 -0.9350 -0.8901 -0.8901 6.6373 6.6373 8.2080 8.2080 8.3287 8.3287 8.8642 8.8642 9.5097 9.5097 9.6680 9.6680 9.9142 9.9142 10.1240 10.1240 10.4406 10.4406 10.6918 10.6918 10.8512 10.8512 11.2033 11.2033 11.2533 11.2533 11.4984 11.4984 11.7013 11.7013 11.9641 11.9641 12.5496 12.5496 12.8492 12.8492 13.2027 13.2027 16.7497 16.7497 17.2661 17.2661 k = 0.2162 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.8014 -1.8014 -1.7929 -1.7929 -1.0111 -1.0111 -0.9354 -0.9354 -0.8906 -0.8906 6.6173 6.6173 8.2115 8.2115 8.3577 8.3577 8.8403 8.8403 9.5520 9.5520 9.6759 9.6759 9.9335 9.9335 10.1333 10.1333 10.4646 10.4646 10.7309 10.7309 10.8509 10.8509 11.2097 11.2097 11.2663 11.2663 11.5119 11.5119 11.7244 11.7244 11.9784 11.9784 12.5265 12.5265 12.8358 12.8358 13.1700 13.1700 16.6216 16.6216 17.0932 17.0932 k = 0.2297 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.8019 -1.8019 -1.7940 -1.7940 -1.0125 -1.0125 -0.9357 -0.9357 -0.8911 -0.8911 6.5974 6.5974 8.2146 8.2146 8.3863 8.3863 8.8172 8.8172 9.5870 9.5870 9.6960 9.6960 9.9510 9.9510 10.1456 10.1456 10.4900 10.4900 10.7627 10.7627 10.8584 10.8584 11.2160 11.2160 11.2801 11.2801 11.5253 11.5253 11.7467 11.7467 11.9945 11.9945 12.5012 12.5012 12.8207 12.8207 13.1356 13.1356 16.4974 16.4974 16.9268 16.9268 k = 0.2432 0.5000 0.5807 ( 2504 PWs) bands (ev): -1.8025 -1.8025 -1.7950 -1.7950 -1.0138 -1.0138 -0.9361 -0.9361 -0.8916 -0.8916 6.5779 6.5779 8.2173 8.2173 8.4138 8.4138 8.7950 8.7950 9.6133 9.6133 9.7290 9.7290 9.9666 9.9666 10.1615 10.1615 10.5167 10.5167 10.7825 10.7825 10.8775 10.8775 11.2220 11.2220 11.2947 11.2947 11.5384 11.5384 11.7679 11.7679 12.0125 12.0125 12.4738 12.4738 12.8036 12.8036 13.0999 13.0999 16.3774 16.3774 16.7671 16.7671 k = 0.2568 0.5000 0.5807 ( 2500 PWs) bands (ev): -1.8030 -1.8030 -1.7960 -1.7960 -1.0151 -1.0151 -0.9364 -0.9364 -0.8920 -0.8920 6.5587 6.5587 8.2197 8.2197 8.4396 8.4396 8.7739 8.7739 9.6348 9.6348 9.7702 9.7702 9.9807 9.9807 10.1815 10.1815 10.5449 10.5449 10.7920 10.7920 10.9064 10.9064 11.2277 11.2277 11.3104 11.3104 11.5509 11.5509 11.7875 11.7875 12.0329 12.0329 12.4443 12.4443 12.7846 12.7846 13.0630 13.0630 16.2617 16.2617 16.6149 16.6149 k = 0.2703 0.5000 0.5807 ( 2508 PWs) bands (ev): -1.8037 -1.8037 -1.7971 -1.7971 -1.0165 -1.0165 -0.9369 -0.9369 -0.8925 -0.8925 6.5401 6.5401 8.2218 8.2218 8.4633 8.4633 8.7539 8.7539 9.6559 9.6559 9.8141 9.8141 9.9937 9.9937 10.2063 10.2063 10.5744 10.5744 10.7967 10.7967 10.9390 10.9390 11.2331 11.2331 11.3270 11.3270 11.5624 11.5624 11.8050 11.8050 12.0559 12.0559 12.4126 12.4126 12.7635 12.7635 13.0253 13.0253 16.1502 16.1502 16.4705 16.4705 k = 0.2838 0.5000 0.5807 ( 2512 PWs) bands (ev): -1.8043 -1.8043 -1.7981 -1.7981 -1.0179 -1.0179 -0.9373 -0.9373 -0.8929 -0.8929 6.5220 6.5220 8.2238 8.2238 8.4844 8.4844 8.7353 8.7353 9.6789 9.6789 9.8567 9.8567 10.0065 10.0065 10.2367 10.2367 10.6051 10.6051 10.8002 10.8002 10.9716 10.9716 11.2381 11.2381 11.3444 11.3444 11.5726 11.5726 11.8203 11.8203 12.0819 12.0819 12.3788 12.3788 12.7404 12.7404 12.9872 12.9872 16.0431 16.0431 16.3345 16.3345 k = 0.2973 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8049 -1.8049 -1.7992 -1.7992 -1.0193 -1.0193 -0.9378 -0.9378 -0.8933 -0.8933 6.5047 6.5047 8.2255 8.2255 8.5027 8.5027 8.7181 8.7181 9.7046 9.7046 9.8952 9.8952 10.0203 10.0203 10.2733 10.2733 10.6365 10.6365 10.8044 10.8044 11.0022 11.0022 11.2429 11.2429 11.3622 11.3622 11.5808 11.5808 11.8328 11.8328 12.1108 12.1108 12.3430 12.3430 12.7154 12.7154 12.9491 12.9491 15.9404 15.9404 16.2073 16.2073 k = 0.3108 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8055 -1.8055 -1.8001 -1.8001 -1.0205 -1.0205 -0.9382 -0.9382 -0.8936 -0.8936 6.4882 6.4882 8.2270 8.2270 8.5179 8.5179 8.7024 8.7024 9.7327 9.7327 9.9274 9.9274 10.0371 10.0371 10.3162 10.3162 10.6677 10.6677 10.8109 10.8109 11.0301 11.0301 11.2475 11.2475 11.3802 11.3802 11.5866 11.5866 11.8422 11.8422 12.1427 12.1427 12.3054 12.3054 12.6888 12.6888 12.9116 12.9116 15.8421 15.8421 16.0890 16.0890 k = 0.3243 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8061 -1.8061 -1.8010 -1.8010 -1.0218 -1.0218 -0.9386 -0.9386 -0.8939 -0.8939 6.4725 6.4725 8.2283 8.2283 8.5299 8.5299 8.6886 8.6886 9.7625 9.7625 9.9518 9.9518 10.0587 10.0587 10.3653 10.3653 10.6974 10.6974 10.8212 10.8212 11.0551 11.0551 11.2519 11.2519 11.3977 11.3977 11.5893 11.5893 11.8481 11.8481 12.1766 12.1766 12.2668 12.2668 12.6608 12.6608 12.8756 12.8756 15.7486 15.7486 15.9798 15.9798 k = 0.3378 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8067 -1.8067 -1.8018 -1.8018 -1.0230 -1.0230 -0.9389 -0.9389 -0.8942 -0.8942 6.4578 6.4578 8.2295 8.2295 8.5386 8.5386 8.6768 8.6768 9.7929 9.7929 9.9688 9.9688 10.0862 10.0862 10.4199 10.4199 10.7237 10.7237 10.8373 10.8373 11.0772 11.0772 11.2561 11.2561 11.4140 11.4140 11.5884 11.5884 11.8502 11.8502 12.2055 12.2055 12.2340 12.2340 12.6319 12.6319 12.8417 12.8417 15.6602 15.6602 15.8791 15.8791 k = 0.3514 0.5000 0.5807 ( 2524 PWs) bands (ev): -1.8073 -1.8073 -1.8026 -1.8026 -1.0241 -1.0241 -0.9393 -0.9393 -0.8945 -0.8945 6.4441 6.4441 8.2305 8.2305 8.5442 8.5442 8.6669 8.6669 9.8224 9.8224 9.9801 9.9801 10.1191 10.1191 10.4790 10.4790 10.7448 10.7448 10.8607 10.8607 11.0964 11.0964 11.2603 11.2603 11.4285 11.4285 11.5832 11.5832 11.8477 11.8477 12.1795 12.1795 12.2564 12.2564 12.6029 12.6029 12.8112 12.8112 15.5772 15.5772 15.7864 15.7864 k = 0.3649 0.5000 0.5807 ( 2524 PWs) bands (ev): -1.8079 -1.8079 -1.8033 -1.8033 -1.0252 -1.0252 -0.9396 -0.9396 -0.8947 -0.8947 6.4314 6.4314 8.2313 8.2313 8.5469 8.5469 8.6592 8.6592 9.8498 9.8498 9.9878 9.9878 10.1567 10.1567 10.5417 10.5417 10.7613 10.7613 10.8910 10.8910 11.1133 11.1133 11.2644 11.2644 11.4404 11.4404 11.5735 11.5735 11.8401 11.8401 12.1389 12.1389 12.2929 12.2929 12.5746 12.5746 12.7855 12.7855 15.5001 15.5001 15.7004 15.7004 k = 0.3784 0.5000 0.5807 ( 2524 PWs) bands (ev): -1.8085 -1.8085 -1.8039 -1.8039 -1.0262 -1.0262 -0.9400 -0.9400 -0.8949 -0.8949 6.4197 6.4197 8.2320 8.2320 8.5472 8.5472 8.6533 8.6533 9.8741 9.8741 9.9932 9.9932 10.1983 10.1983 10.6068 10.6068 10.7751 10.7751 10.9261 10.9261 11.1282 11.1282 11.2687 11.2687 11.4488 11.4488 11.5590 11.5590 11.8265 11.8265 12.0983 12.0983 12.3277 12.3277 12.5481 12.5481 12.7660 12.7660 15.4294 15.4294 15.6195 15.6195 k = 0.3919 0.5000 0.5807 ( 2532 PWs) bands (ev): -1.8091 -1.8091 -1.8045 -1.8045 -1.0272 -1.0272 -0.9403 -0.9403 -0.8951 -0.8951 6.4092 6.4092 8.2326 8.2326 8.5456 8.5456 8.6489 8.6489 9.8947 9.8947 9.9971 9.9971 10.2432 10.2432 10.6733 10.6733 10.7882 10.7882 10.9637 10.9637 11.1415 11.1415 11.2733 11.2733 11.4526 11.4526 11.5401 11.5401 11.8063 11.8063 12.0593 12.0593 12.3575 12.3575 12.5245 12.5245 12.7546 12.7546 15.3653 15.3653 15.5418 15.5418 k = 0.4054 0.5000 0.5807 ( 2528 PWs) bands (ev): -1.8096 -1.8096 -1.8049 -1.8049 -1.0279 -1.0279 -0.9405 -0.9405 -0.8952 -0.8952 6.3999 6.3999 8.2331 8.2331 8.5428 8.5428 8.6458 8.6458 9.9117 9.9117 10.0001 10.0001 10.2898 10.2898 10.7399 10.7399 10.8027 10.8027 11.0020 11.0020 11.1539 11.1539 11.2783 11.2783 11.4501 11.4501 11.5183 11.5183 11.7792 11.7792 12.0232 12.0232 12.3794 12.3794 12.5050 12.5050 12.7526 12.7526 15.3081 15.3081 15.4656 15.4656 k = 0.4189 0.5000 0.5807 ( 2532 PWs) bands (ev): -1.8101 -1.8101 -1.8054 -1.8054 -1.0287 -1.0287 -0.9408 -0.9408 -0.8953 -0.8953 6.3917 6.3917 8.2335 8.2335 8.5394 8.5394 8.6436 8.6436 9.9253 9.9253 10.0024 10.0024 10.3361 10.3361 10.8026 10.8026 10.8225 10.8225 11.0389 11.0389 11.1659 11.1659 11.2839 11.2839 11.4388 11.4388 11.4962 11.4962 11.7454 11.7454 11.9910 11.9910 12.3918 12.3918 12.4903 12.4903 12.7604 12.7604 15.2577 15.2577 15.3911 15.3911 k = 0.4324 0.5000 0.5807 ( 2532 PWs) bands (ev): -1.8105 -1.8105 -1.8057 -1.8057 -1.0293 -1.0293 -0.9410 -0.9410 -0.8954 -0.8954 6.3848 6.3848 8.2338 8.2338 8.5359 8.5359 8.6419 8.6419 9.9360 9.9360 10.0041 10.0041 10.3798 10.3798 10.8347 10.8347 10.8741 10.8741 11.0722 11.0722 11.1788 11.1788 11.2902 11.2902 11.4174 11.4174 11.4762 11.4762 11.7061 11.7061 11.9632 11.9632 12.3957 12.3957 12.4801 12.4801 12.7760 12.7760 15.2134 15.2134 15.3210 15.3210 k = 0.4459 0.5000 0.5807 ( 2536 PWs) bands (ev): -1.8109 -1.8109 -1.8060 -1.8060 -1.0299 -1.0299 -0.9412 -0.9412 -0.8955 -0.8955 6.3791 6.3791 8.2341 8.2341 8.5327 8.5327 8.6407 8.6407 9.9441 9.9441 10.0054 10.0054 10.4186 10.4186 10.8585 10.8585 10.9334 10.9334 11.0996 11.0996 11.1934 11.1934 11.2958 11.2958 11.3914 11.3914 11.4572 11.4572 11.6632 11.6632 11.9402 11.9402 12.3942 12.3942 12.4732 12.4732 12.7960 12.7960 15.1745 15.1745 15.2599 15.2599 k = 0.4595 0.5000 0.5807 ( 2532 PWs) bands (ev): -1.8112 -1.8112 -1.8061 -1.8061 -1.0302 -1.0302 -0.9413 -0.9413 -0.8956 -0.8956 6.3746 6.3746 8.2342 8.2342 8.5299 8.5299 8.6398 8.6398 9.9500 9.9500 10.0065 10.0065 10.4504 10.4504 10.8846 10.8846 10.9865 10.9865 11.1199 11.1199 11.2099 11.2099 11.2944 11.2944 11.3734 11.3734 11.4365 11.4365 11.6191 11.6191 11.9222 11.9222 12.3907 12.3907 12.4681 12.4681 12.8165 12.8165 15.1398 15.1398 15.2125 15.2125 k = 0.4730 0.5000 0.5807 ( 2524 PWs) bands (ev): -1.8114 -1.8114 -1.8062 -1.8062 -1.0305 -1.0305 -0.9413 -0.9413 -0.8956 -0.8956 6.3715 6.3715 8.2344 8.2344 8.5279 8.5279 8.6392 8.6392 9.9541 9.9541 10.0072 10.0072 10.4736 10.4736 10.9107 10.9107 11.0283 11.0283 11.1338 11.1338 11.2267 11.2267 11.2792 11.2792 11.3755 11.3755 11.4146 11.4146 11.5775 11.5775 11.9093 11.9093 12.3872 12.3872 12.4645 12.4645 12.8339 12.8339 15.1104 15.1104 15.1810 15.1810 k = 0.4865 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8115 -1.8115 -1.8063 -1.8063 -1.0306 -1.0306 -0.9413 -0.9413 -0.8956 -0.8956 6.3696 6.3696 8.2344 8.2344 8.5266 8.5266 8.6388 8.6388 9.9564 9.9564 10.0077 10.0077 10.4877 10.4877 10.9314 10.9314 11.0543 11.0543 11.1426 11.1426 11.2407 11.2407 11.2613 11.2613 11.3892 11.3892 11.3955 11.3955 11.5442 11.5442 11.9016 11.9016 12.3848 12.3848 12.4623 12.4623 12.8455 12.8455 15.0903 15.0903 15.1637 15.1637 k = 0.5000 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8115 -1.8115 -1.8063 -1.8063 -1.0307 -1.0307 -0.9413 -0.9413 -0.8956 -0.8956 6.3689 6.3689 8.2344 8.2344 8.5262 8.5262 8.6387 8.6387 9.9572 9.9572 10.0078 10.0078 10.4924 10.4924 10.9397 10.9397 11.0628 11.0628 11.1459 11.1459 11.2458 11.2458 11.2549 11.2549 11.3868 11.3868 11.3975 11.3975 11.5303 11.5303 11.8990 11.8990 12.3840 12.3840 12.4615 12.4615 12.8495 12.8495 15.0831 15.0831 15.1582 15.1582 k = 0.5000 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8115 -1.8115 -1.8063 -1.8063 -1.0307 -1.0307 -0.9413 -0.9413 -0.8956 -0.8956 6.3689 6.3689 8.2344 8.2344 8.5262 8.5262 8.6387 8.6387 9.9572 9.9572 10.0078 10.0078 10.4924 10.4924 10.9397 10.9397 11.0628 11.0628 11.1459 11.1459 11.2458 11.2458 11.2549 11.2549 11.3868 11.3868 11.3975 11.3975 11.5303 11.5303 11.8990 11.8990 12.3840 12.3840 12.4615 12.4615 12.8495 12.8495 15.0831 15.0831 15.1582 15.1582 k = 0.4904 0.4904 0.5807 ( 2520 PWs) bands (ev): -1.8115 -1.8115 -1.8063 -1.8063 -1.0306 -1.0306 -0.9413 -0.9413 -0.8956 -0.8956 6.3696 6.3696 8.2344 8.2344 8.5266 8.5266 8.6388 8.6388 9.9564 9.9564 10.0077 10.0077 10.4877 10.4877 10.9313 10.9313 11.0542 11.0542 11.1426 11.1426 11.2406 11.2406 11.2615 11.2615 11.3847 11.3847 11.4000 11.4000 11.5441 11.5441 11.9016 11.9016 12.3848 12.3848 12.4623 12.4623 12.8455 12.8455 15.0900 15.0900 15.1641 15.1641 k = 0.4808 0.4808 0.5807 ( 2524 PWs) bands (ev): -1.8114 -1.8114 -1.8062 -1.8062 -1.0305 -1.0305 -0.9413 -0.9413 -0.8956 -0.8956 6.3715 6.3715 8.2344 8.2344 8.5276 8.5276 8.6395 8.6395 9.9540 9.9540 10.0072 10.0072 10.4734 10.4734 10.9104 10.9104 11.0284 11.0284 11.1339 11.1339 11.2253 11.2253 11.2813 11.2813 11.3638 11.3638 11.4269 11.4269 11.5759 11.5759 11.9092 11.9092 12.3870 12.3870 12.4644 12.4644 12.8349 12.8349 15.1047 15.1047 15.1864 15.1864 k = 0.4712 0.4712 0.5807 ( 2536 PWs) bands (ev): -1.8112 -1.8112 -1.8062 -1.8062 -1.0302 -1.0302 -0.9413 -0.9413 -0.8956 -0.8956 6.3747 6.3747 8.2342 8.2342 8.5282 8.5282 8.6416 8.6416 9.9496 9.9496 10.0065 10.0065 10.4498 10.4498 10.8842 10.8842 10.9880 10.9880 11.1187 11.1187 11.2065 11.2065 11.3053 11.3053 11.3452 11.3452 11.4618 11.4618 11.6136 11.6136 11.9214 11.9214 12.3897 12.3897 12.4677 12.4677 12.8220 12.8220 15.1170 15.1170 15.2317 15.2317 k = 0.4615 0.4615 0.5807 ( 2532 PWs) bands (ev): -1.8109 -1.8109 -1.8059 -1.8059 -1.0298 -1.0298 -0.9411 -0.9411 -0.8955 -0.8955 6.3792 6.3792 8.2341 8.2341 8.5272 8.5272 8.6462 8.6462 9.9429 9.9429 10.0057 10.0057 10.4177 10.4177 10.8582 10.8582 10.9382 10.9382 11.0931 11.0931 11.1905 11.1905 11.3108 11.3108 11.3494 11.3494 11.4984 11.4984 11.6518 11.6518 11.9373 11.9373 12.3910 12.3910 12.4720 12.4720 12.8132 12.8132 15.1250 15.1250 15.2955 15.2955 k = 0.4519 0.4519 0.5807 ( 2536 PWs) bands (ev): -1.8105 -1.8105 -1.8057 -1.8057 -1.0293 -1.0293 -0.9410 -0.9410 -0.8954 -0.8954 6.3849 6.3849 8.2338 8.2338 8.5231 8.5231 8.6546 8.6546 9.9333 9.9333 10.0047 10.0047 10.3785 10.3785 10.8343 10.8343 10.8842 10.8842 11.0568 11.0568 11.1798 11.1798 11.2971 11.2971 11.3724 11.3724 11.5335 11.5335 11.6876 11.6876 11.9554 11.9554 12.3878 12.3878 12.4791 12.4791 12.8156 12.8156 15.1310 15.1310 15.3655 15.3655 k = 0.4423 0.4423 0.5807 ( 2532 PWs) bands (ev): -1.8100 -1.8100 -1.8054 -1.8054 -1.0287 -1.0287 -0.9408 -0.9408 -0.8953 -0.8953 6.3918 6.3918 8.2335 8.2335 8.5149 8.5149 8.6678 8.6678 9.9199 9.9199 10.0036 10.0036 10.3344 10.3344 10.8062 10.8062 10.8355 10.8355 11.0133 11.0133 11.1729 11.1729 11.2803 11.2803 11.3946 11.3946 11.5650 11.5650 11.7184 11.7184 11.9746 11.9746 12.3768 12.3768 12.4927 12.4927 12.8340 12.8340 15.1361 15.1361 15.4303 15.4303 k = 0.4327 0.4327 0.5807 ( 2532 PWs) bands (ev): -1.8095 -1.8095 -1.8050 -1.8050 -1.0279 -1.0279 -0.9405 -0.9405 -0.8952 -0.8952 6.3999 6.3999 8.2332 8.2332 8.5021 8.5021 8.6859 8.6859 9.9021 9.9021 10.0024 10.0024 10.2877 10.2877 10.7562 10.7562 10.8114 10.8114 10.9663 10.9663 11.1675 11.1675 11.2617 11.2617 11.4131 11.4131 11.5923 11.5923 11.7417 11.7417 11.9935 11.9935 12.3585 12.3585 12.5163 12.5163 12.8700 12.8700 15.1410 15.1410 15.4857 15.4857 k = 0.4231 0.4231 0.5807 ( 2518 PWs) bands (ev): -1.8088 -1.8088 -1.8045 -1.8045 -1.0270 -1.0270 -0.9401 -0.9401 -0.8951 -0.8951 6.4091 6.4091 8.2328 8.2328 8.4847 8.4847 8.7086 8.7086 9.8791 9.8791 10.0009 10.0009 10.2407 10.2407 10.6984 10.6984 10.7987 10.7987 10.9181 10.9181 11.1618 11.1618 11.2409 11.2409 11.4278 11.4278 11.6151 11.6151 11.7555 11.7555 12.0109 12.0109 12.3365 12.3365 12.5515 12.5515 12.9219 12.9219 15.1459 15.1459 15.5345 15.5345 k = 0.4135 0.4135 0.5807 ( 2514 PWs) bands (ev): -1.8081 -1.8081 -1.8040 -1.8040 -1.0260 -1.0260 -0.9398 -0.9398 -0.8949 -0.8949 6.4193 6.4193 8.2322 8.2322 8.4629 8.4629 8.7352 8.7352 9.8506 9.8506 9.9989 9.9989 10.1951 10.1951 10.6402 10.6402 10.7898 10.7898 10.8703 10.8703 11.1536 11.1536 11.2190 11.2190 11.4392 11.4392 11.6331 11.6331 11.7593 11.7593 12.0262 12.0262 12.3144 12.3144 12.5991 12.5991 12.9873 12.9873 15.1509 15.1509 15.5795 15.5795 k = 0.4038 0.4038 0.5807 ( 2514 PWs) bands (ev): -1.8074 -1.8074 -1.8035 -1.8035 -1.0250 -1.0250 -0.9394 -0.9394 -0.8948 -0.8948 6.4305 6.4305 8.2317 8.2317 8.4370 8.4370 8.7653 8.7653 9.8169 9.8169 9.9959 9.9959 10.1518 10.1518 10.5833 10.5833 10.7829 10.7829 10.8243 10.8243 11.1384 11.1384 11.1996 11.1996 11.4481 11.4481 11.6459 11.6459 11.7550 11.7550 12.0392 12.0392 12.2943 12.2943 12.6586 12.6586 13.0638 13.0638 15.1560 15.1560 15.6222 15.6222 k = 0.3942 0.3942 0.5807 ( 2514 PWs) bands (ev): -1.8065 -1.8065 -1.8030 -1.8030 -1.0238 -1.0238 -0.9390 -0.9390 -0.8946 -0.8946 6.4426 6.4426 8.2310 8.2310 8.4068 8.4068 8.7981 8.7981 9.7790 9.7790 9.9909 9.9909 10.1116 10.1116 10.5282 10.5282 10.7719 10.7719 10.7868 10.7868 11.1121 11.1121 11.1867 11.1867 11.4552 11.4552 11.6524 11.6524 11.7465 11.7465 12.0497 12.0497 12.2763 12.2763 12.7291 12.7291 13.1493 13.1493 15.1615 15.1615 15.6631 15.6631 k = 0.3846 0.3846 0.5807 ( 2514 PWs) bands (ev): -1.8056 -1.8056 -1.8024 -1.8024 -1.0226 -1.0226 -0.9386 -0.9386 -0.8945 -0.8945 6.4555 6.4555 8.2302 8.2302 8.3726 8.3726 8.8331 8.8331 9.7385 9.7385 9.9817 9.9817 10.0757 10.0757 10.4751 10.4751 10.7364 10.7364 10.7789 10.7789 11.0760 11.0760 11.1796 11.1796 11.4609 11.4609 11.6506 11.6506 11.7387 11.7387 12.0580 12.0580 12.2603 12.2603 12.8090 12.8090 13.2421 13.2421 15.1672 15.1672 15.7017 15.7017 k = 0.3750 0.3750 0.5807 ( 2510 PWs) bands (ev): -1.8047 -1.8047 -1.8017 -1.8017 -1.0213 -1.0213 -0.9381 -0.9381 -0.8943 -0.8943 6.4692 6.4692 8.2292 8.2292 8.3345 8.3345 8.8695 8.8695 9.6973 9.6973 9.9642 9.9642 10.0472 10.0472 10.4236 10.4236 10.7000 10.7000 10.7774 10.7774 11.0339 11.0339 11.1753 11.1753 11.4658 11.4658 11.6402 11.6402 11.7346 11.7346 12.0643 12.0643 12.2456 12.2456 12.8968 12.8968 13.3411 13.3411 15.1733 15.1733 15.7378 15.7378 k = 0.3654 0.3654 0.5807 ( 2514 PWs) bands (ev): -1.8037 -1.8037 -1.8011 -1.8011 -1.0199 -1.0199 -0.9377 -0.9377 -0.8942 -0.8942 6.4834 6.4834 8.2276 8.2276 8.2928 8.2928 8.9062 8.9062 9.6577 9.6577 9.9349 9.9349 10.0285 10.0285 10.3735 10.3735 10.6674 10.6674 10.7777 10.7777 10.9889 10.9889 11.1723 11.1723 11.4700 11.4700 11.6233 11.6233 11.7339 11.7339 12.0686 12.0686 12.2317 12.2317 12.9911 12.9911 13.4453 13.4453 15.1800 15.1800 15.7708 15.7708 k = 0.3558 0.3558 0.5807 ( 2518 PWs) bands (ev): -1.8027 -1.8027 -1.8004 -1.8004 -1.0185 -1.0185 -0.9372 -0.9372 -0.8940 -0.8940 6.4982 6.4982 8.2218 8.2218 8.2513 8.2513 8.9419 8.9419 9.6217 9.6217 9.8962 9.8962 10.0166 10.0166 10.3245 10.3245 10.6392 10.6392 10.7798 10.7798 10.9432 10.9432 11.1700 11.1700 11.4738 11.4738 11.6030 11.6030 11.7348 11.7348 12.0711 12.0711 12.2185 12.2185 13.0908 13.0908 13.5539 13.5539 15.1871 15.1871 15.8005 15.8005 k = 0.3462 0.3462 0.5807 ( 2518 PWs) bands (ev): -1.8016 -1.8016 -1.7997 -1.7997 -1.0170 -1.0170 -0.9367 -0.9367 -0.8939 -0.8939 6.5133 6.5133 8.1883 8.1883 8.2338 8.2338 8.9750 8.9750 9.5916 9.5916 9.8523 9.8523 10.0067 10.0067 10.2766 10.2766 10.6148 10.6148 10.7835 10.7835 10.8990 10.8990 11.1680 11.1680 11.4770 11.4770 11.5814 11.5814 11.7360 11.7360 12.0717 12.0717 12.2061 12.2061 13.1949 13.1949 13.6662 13.6662 15.1949 15.1949 15.8266 15.8266 k = 0.3365 0.3365 0.5807 ( 2520 PWs) bands (ev): -1.8005 -1.8005 -1.7990 -1.7990 -1.0155 -1.0155 -0.9361 -0.9361 -0.8937 -0.8937 6.5287 6.5287 8.1361 8.1361 8.2314 8.2314 9.0033 9.0033 9.5696 9.5696 9.8058 9.8058 9.9955 9.9955 10.2306 10.2306 10.5935 10.5935 10.7886 10.7886 10.8586 10.8586 11.1663 11.1663 11.4793 11.4793 11.5599 11.5599 11.7369 11.7369 12.0701 12.0701 12.1945 12.1945 13.3028 13.3028 13.7818 13.7818 15.2034 15.2034 15.8490 15.8490 k = 0.3269 0.3269 0.5807 ( 2524 PWs) bands (ev): -1.7994 -1.7994 -1.7982 -1.7982 -1.0139 -1.0139 -0.9356 -0.9356 -0.8936 -0.8936 6.5443 6.5443 8.0786 8.0786 8.2309 8.2309 9.0246 9.0246 9.5574 9.5574 9.7586 9.7586 9.9803 9.9803 10.1883 10.1883 10.5744 10.5744 10.7919 10.7919 10.8267 10.8267 11.1646 11.1646 11.4800 11.4800 11.5396 11.5396 11.7373 11.7373 12.0663 12.0663 12.1840 12.1840 13.4140 13.4140 13.9003 13.9003 15.2128 15.2128 15.8678 15.8678 k = 0.3173 0.3173 0.5807 ( 2524 PWs) bands (ev): -1.7982 -1.7982 -1.7974 -1.7974 -1.0123 -1.0123 -0.9350 -0.9350 -0.8934 -0.8934 6.5598 6.5598 8.0176 8.0176 8.2312 8.2312 9.0370 9.0370 9.5550 9.5550 9.7133 9.7133 9.9581 9.9581 10.1523 10.1523 10.5565 10.5565 10.7785 10.7785 10.8197 10.8197 11.1630 11.1630 11.4771 11.4771 11.5226 11.5226 11.7373 11.7373 12.0599 12.0599 12.1751 12.1751 13.5280 13.5280 14.0214 14.0214 15.2230 15.2230 15.8830 15.8830 k = 0.3077 0.3077 0.5807 ( 2516 PWs) bands (ev): -1.7970 -1.7970 -1.7964 -1.7964 -1.0105 -1.0105 -0.9343 -0.9343 -0.8932 -0.8932 6.5752 6.5752 7.9537 7.9537 8.2321 8.2321 9.0401 9.0401 9.5576 9.5576 9.6760 9.6760 9.9267 9.9267 10.1246 10.1246 10.5391 10.5391 10.7559 10.7559 10.8308 10.8308 11.1615 11.1615 11.4674 11.4674 11.5120 11.5120 11.7370 11.7370 12.0510 12.0510 12.1678 12.1678 13.6446 13.6446 14.1447 14.1447 15.2343 15.2343 15.8948 15.8948 k = 0.2981 0.2981 0.5807 ( 2508 PWs) bands (ev): -1.7959 -1.7959 -1.7954 -1.7954 -1.0088 -1.0088 -0.9336 -0.9336 -0.8930 -0.8930 6.5903 6.5903 7.8871 7.8871 8.2336 8.2336 9.0344 9.0344 9.5490 9.5490 9.6620 9.6620 9.8863 9.8863 10.1056 10.1056 10.5222 10.5222 10.7364 10.7364 10.8475 10.8475 11.1601 11.1601 11.4509 11.4509 11.5078 11.5078 11.7366 11.7366 12.0397 12.0397 12.1622 12.1622 13.7635 13.7635 14.2700 14.2700 15.2468 15.2468 15.9035 15.9035 k = 0.2885 0.2885 0.5807 ( 2508 PWs) bands (ev): -1.7951 -1.7951 -1.7942 -1.7942 -1.0070 -1.0070 -0.9330 -0.9330 -0.8928 -0.8928 6.6049 6.6049 7.8186 7.8186 8.2359 8.2359 9.0217 9.0217 9.5181 9.5181 9.6806 9.6806 9.8391 9.8391 10.0932 10.0932 10.5059 10.5059 10.7214 10.7214 10.8681 10.8681 11.1588 11.1588 11.4310 11.4310 11.5063 11.5063 11.7363 11.7363 12.0263 12.0263 12.1581 12.1581 13.8844 13.8844 14.3970 14.3970 15.2605 15.2605 15.9093 15.9093 k = 0.2788 0.2788 0.5807 ( 2510 PWs) bands (ev): -1.7942 -1.7942 -1.7929 -1.7929 -1.0053 -1.0053 -0.9323 -0.9323 -0.8927 -0.8927 6.6190 6.6190 7.7484 7.7484 8.2390 8.2390 9.0038 9.0038 9.4761 9.4761 9.7174 9.7174 9.7886 9.7886 10.0853 10.0853 10.4907 10.4907 10.7101 10.7101 10.8921 10.8921 11.1577 11.1577 11.4097 11.4097 11.5053 11.5053 11.7363 11.7363 12.0112 12.0112 12.1553 12.1553 14.0073 14.0073 14.5256 14.5256 15.2758 15.2758 15.9125 15.9125 k = 0.2692 0.2692 0.5807 ( 2514 PWs) bands (ev): -1.7935 -1.7935 -1.7917 -1.7917 -1.0036 -1.0036 -0.9317 -0.9317 -0.8925 -0.8925 6.6324 6.6324 7.6771 7.6771 8.2430 8.2430 8.9824 8.9824 9.4312 9.4312 9.7276 9.7276 9.7716 9.7716 10.0804 10.0804 10.4773 10.4773 10.7019 10.7019 10.9193 10.9193 11.1570 11.1570 11.3880 11.3880 11.5040 11.5040 11.7368 11.7368 11.9948 11.9948 12.1537 12.1537 14.1318 14.1318 14.6555 14.6555 15.2928 15.2928 15.9134 15.9134 k = 0.2596 0.2596 0.5807 ( 2510 PWs) bands (ev): -1.7926 -1.7926 -1.7904 -1.7904 -1.0019 -1.0019 -0.9310 -0.9310 -0.8923 -0.8923 6.6450 6.6450 7.6051 7.6051 8.2479 8.2479 8.9586 8.9586 9.3861 9.3861 9.6755 9.6755 9.8211 9.8211 10.0775 10.0775 10.4661 10.4661 10.6960 10.6960 10.9491 10.9491 11.1568 11.1568 11.3661 11.3661 11.5020 11.5020 11.7382 11.7382 11.9775 11.9775 12.1530 12.1530 14.2580 14.2580 14.7864 14.7864 15.3118 15.3118 15.9123 15.9123 k = 0.2500 0.2500 0.5807 ( 2508 PWs) bands (ev): -1.7919 -1.7919 -1.7891 -1.7891 -1.0001 -1.0001 -0.9303 -0.9303 -0.8922 -0.8922 6.6566 6.6566 7.5328 7.5328 8.2540 8.2540 8.9333 8.9333 9.3419 9.3419 9.6209 9.6209 9.8756 9.8756 10.0762 10.0762 10.4571 10.4571 10.6919 10.6919 10.9809 10.9809 11.1579 11.1579 11.3444 11.3444 11.4989 11.4989 11.7403 11.7403 11.9595 11.9595 12.1533 12.1533 14.3855 14.3855 14.9179 14.9179 15.3333 15.3333 15.9095 15.9095 k = 0.2404 0.2404 0.5807 ( 2508 PWs) bands (ev): -1.7911 -1.7911 -1.7878 -1.7878 -0.9984 -0.9984 -0.9297 -0.9297 -0.8920 -0.8920 6.6673 6.6673 7.4606 7.4606 8.2611 8.2611 8.9069 8.9069 9.2992 9.2992 9.5665 9.5665 9.9314 9.9314 10.0762 10.0762 10.4507 10.4507 10.6890 10.6890 11.0129 11.0129 11.1612 11.1612 11.3231 11.3231 11.4949 11.4949 11.7435 11.7435 11.9413 11.9413 12.1545 12.1545 14.5143 14.5143 15.0494 15.0494 15.3579 15.3579 15.9054 15.9054 k = 0.2308 0.2308 0.5807 ( 2508 PWs) bands (ev): -1.7904 -1.7904 -1.7865 -1.7865 -0.9968 -0.9968 -0.9290 -0.9290 -0.8919 -0.8919 6.6769 6.6769 7.3888 7.3888 8.2693 8.2693 8.8799 8.8799 9.2583 9.2583 9.5133 9.5133 9.9864 9.9864 10.0778 10.0778 10.4466 10.4466 10.6871 10.6871 11.0424 11.0424 11.1690 11.1690 11.3025 11.3025 11.4900 11.4900 11.7476 11.7476 11.9229 11.9229 12.1567 12.1567 14.6439 14.6439 15.1794 15.1794 15.3871 15.3871 15.9003 15.9003 k = 0.2212 0.2212 0.5807 ( 2516 PWs) bands (ev): -1.7897 -1.7897 -1.7853 -1.7853 -0.9952 -0.9952 -0.9283 -0.9283 -0.8918 -0.8918 6.6853 6.6853 7.3179 7.3179 8.2787 8.2787 8.8524 8.8524 9.2195 9.2195 9.4616 9.4616 10.0372 10.0372 10.0838 10.0838 10.4448 10.4448 10.6860 10.6860 11.0653 11.0653 11.1839 11.1839 11.2832 11.2832 11.4845 11.4845 11.7524 11.7524 11.9049 11.9049 12.1601 12.1601 14.7740 14.7740 15.3026 15.3026 15.4262 15.4262 15.8951 15.8951 k = 0.2115 0.2115 0.5807 ( 2508 PWs) bands (ev): -1.7889 -1.7889 -1.7840 -1.7840 -0.9935 -0.9935 -0.9276 -0.9276 -0.8916 -0.8916 6.6926 6.6926 7.2482 7.2482 8.2891 8.2891 8.8246 8.8246 9.1828 9.1828 9.4116 9.4116 10.0668 10.0668 10.1104 10.1104 10.4452 10.4452 10.6856 10.6856 11.0788 11.0788 11.2059 11.2059 11.2676 11.2676 11.4789 11.4789 11.7578 11.7578 11.8878 11.8878 12.1650 12.1650 14.9040 14.9040 15.3987 15.3987 15.4951 15.4951 15.8909 15.8909 k = 0.2019 0.2019 0.5807 ( 2508 PWs) bands (ev): -1.7882 -1.7882 -1.7828 -1.7828 -0.9919 -0.9919 -0.9270 -0.9270 -0.8915 -0.8915 6.6988 6.6988 7.1799 7.1799 8.3005 8.3005 8.7967 8.7967 9.1486 9.1486 9.3637 9.3637 10.0749 10.0749 10.1572 10.1572 10.4476 10.4476 10.6858 10.6858 11.0838 11.0838 11.2212 11.2212 11.2666 11.2666 11.4741 11.4741 11.7629 11.7629 11.8723 11.8723 12.1716 12.1716 15.0327 15.0327 15.4570 15.4570 15.6023 15.6023 15.8910 15.8910 k = 0.1923 0.1923 0.5807 ( 2508 PWs) bands (ev): -1.7875 -1.7875 -1.7817 -1.7817 -0.9904 -0.9904 -0.9263 -0.9263 -0.8913 -0.8913 6.7038 6.7038 7.1133 7.1133 8.3127 8.3127 8.7688 8.7688 9.1167 9.1167 9.3180 9.3180 10.0796 10.0796 10.2057 10.2057 10.4518 10.4518 10.6864 10.6864 11.0832 11.0832 11.2145 11.2145 11.2906 11.2906 11.4717 11.4717 11.7665 11.7665 11.8600 11.8600 12.1804 12.1804 15.1583 15.1583 15.5075 15.5075 15.7099 15.7099 15.9059 15.9059 k = 0.1827 0.1827 0.5807 ( 2496 PWs) bands (ev): -1.7868 -1.7868 -1.7805 -1.7805 -0.9888 -0.9888 -0.9256 -0.9256 -0.8912 -0.8912 6.7078 6.7078 7.0487 7.0487 8.3256 8.3256 8.7410 8.7410 9.0872 9.0872 9.2747 9.2747 10.0841 10.0841 10.2526 10.2526 10.4575 10.4575 10.6875 10.6875 11.0788 11.0788 11.2013 11.2013 11.3187 11.3187 11.4746 11.4746 11.7665 11.7665 11.8530 11.8530 12.1917 12.1917 15.2773 15.2773 15.5638 15.5638 15.7794 15.7794 15.9638 15.9638 k = 0.1731 0.1731 0.5807 ( 2500 PWs) bands (ev): -1.7863 -1.7863 -1.7794 -1.7794 -0.9874 -0.9874 -0.9250 -0.9250 -0.8911 -0.8911 6.7107 6.7107 6.9862 6.9862 8.3390 8.3390 8.7135 8.7135 9.0601 9.0601 9.2338 9.2338 10.0889 10.0889 10.2971 10.2971 10.4645 10.4645 10.6889 10.6889 11.0716 11.0716 11.1879 11.1879 11.3390 11.3390 11.4859 11.4859 11.7612 11.7612 11.8530 11.8530 12.2062 12.2062 15.3842 15.3842 15.6317 15.6317 15.8050 15.8050 16.0707 16.0707 k = 0.1635 0.1635 0.5807 ( 2496 PWs) bands (ev): -1.7856 -1.7856 -1.7783 -1.7783 -0.9860 -0.9860 -0.9244 -0.9244 -0.8910 -0.8910 6.7126 6.7126 6.9262 6.9262 8.3527 8.3527 8.6866 8.6866 9.0354 9.0354 9.1956 9.1956 10.0941 10.0941 10.3390 10.3390 10.4726 10.4726 10.6907 10.6907 11.0624 11.0624 11.1756 11.1756 11.3480 11.3480 11.5065 11.5065 11.7509 11.7509 11.8597 11.8597 12.2243 12.2243 15.4741 15.4741 15.7065 15.7065 15.8252 15.8252 16.1975 16.1975 k = 0.1538 0.1538 0.5807 ( 2498 PWs) bands (ev): -1.7851 -1.7851 -1.7773 -1.7773 -0.9848 -0.9848 -0.9237 -0.9237 -0.8909 -0.8909 6.7137 6.7137 6.8687 6.8687 8.3663 8.3663 8.6603 8.6603 9.0129 9.0129 9.1601 9.1601 10.0998 10.0998 10.3781 10.3781 10.4817 10.4817 10.6927 10.6927 11.0516 11.0516 11.1644 11.1644 11.3479 11.3479 11.5327 11.5327 11.7375 11.7375 11.8710 11.8710 12.2468 12.2468 15.5473 15.5473 15.7542 15.7542 15.8876 15.8876 16.3306 16.3306 k = 0.1442 0.1442 0.5807 ( 2500 PWs) bands (ev): -1.7846 -1.7846 -1.7763 -1.7763 -0.9835 -0.9835 -0.9232 -0.9232 -0.8908 -0.8908 6.7140 6.7140 6.8140 6.8140 8.3796 8.3796 8.6350 8.6350 8.9925 8.9925 9.1274 9.1274 10.1058 10.1058 10.4145 10.4145 10.4915 10.4915 10.6949 10.6949 11.0397 11.0397 11.1544 11.1544 11.3425 11.3425 11.5599 11.5599 11.7226 11.7226 11.8849 11.8849 12.2739 12.2739 15.6065 15.6065 15.7708 15.7708 15.9977 15.9977 16.4662 16.4662 k = 0.1346 0.1346 0.5807 ( 2496 PWs) bands (ev): -1.7840 -1.7840 -1.7754 -1.7754 -0.9823 -0.9823 -0.9226 -0.9226 -0.8907 -0.8907 6.7133 6.7133 6.7625 6.7625 8.3922 8.3922 8.6109 8.6109 8.9741 8.9741 9.0976 9.0976 10.1123 10.1123 10.4483 10.4483 10.5017 10.5017 10.6975 10.6975 11.0274 11.0274 11.1450 11.1450 11.3342 11.3342 11.5852 11.5852 11.7071 11.7071 11.8998 11.8998 12.3058 12.3058 15.6489 15.6489 15.7903 15.7903 16.1255 16.1255 16.6027 16.6027 k = 0.1250 0.1250 0.5807 ( 2492 PWs) bands (ev): -1.7835 -1.7835 -1.7745 -1.7745 -0.9812 -0.9812 -0.9220 -0.9220 -0.8907 -0.8907 6.7071 6.7071 6.7190 6.7190 8.4039 8.4039 8.5882 8.5882 8.9575 8.9575 9.0709 9.0709 10.1190 10.1190 10.4795 10.4795 10.5123 10.5123 10.7001 10.7001 11.0150 11.0150 11.1361 11.1361 11.3247 11.3247 11.6074 11.6074 11.6917 11.6917 11.9147 11.9147 12.3421 12.3421 15.6691 15.6691 15.8298 15.8298 16.2604 16.2604 16.7394 16.7394 k = 0.1154 0.1154 0.5807 ( 2492 PWs) bands (ev): -1.7831 -1.7831 -1.7737 -1.7737 -0.9802 -0.9802 -0.9215 -0.9215 -0.8906 -0.8906 6.6664 6.6664 6.7127 6.7127 8.4141 8.4141 8.5673 8.5673 8.9424 8.9424 9.0473 9.0473 10.1259 10.1259 10.5080 10.5080 10.5229 10.5229 10.7029 10.7029 11.0030 11.0030 11.1273 11.1273 11.3147 11.3147 11.6260 11.6260 11.6768 11.6768 11.9287 11.9287 12.3820 12.3820 15.6718 15.6718 15.8881 15.8881 16.3986 16.3986 16.8761 16.8761 k = 0.1058 0.1058 0.5807 ( 2496 PWs) bands (ev): -1.7827 -1.7827 -1.7729 -1.7729 -0.9793 -0.9793 -0.9211 -0.9211 -0.8905 -0.8905 6.6244 6.6244 6.7107 6.7107 8.4224 8.4224 8.5486 8.5486 8.9287 8.9287 9.0270 9.0270 10.1329 10.1329 10.5326 10.5326 10.5347 10.5347 10.7058 10.7058 10.9917 10.9917 11.1183 11.1183 11.3049 11.3049 11.6405 11.6405 11.6633 11.6633 11.9416 11.9416 12.4244 12.4244 15.6663 15.6663 15.9579 15.9579 16.5382 16.5382 17.0124 17.0124 k = 0.0962 0.0962 0.5807 ( 2500 PWs) bands (ev): -1.7824 -1.7824 -1.7722 -1.7722 -0.9784 -0.9784 -0.9207 -0.9207 -0.8905 -0.8905 6.5854 6.5854 6.7087 6.7087 8.4284 8.4284 8.5326 8.5326 8.9161 8.9161 9.0101 9.0101 10.1398 10.1398 10.5433 10.5433 10.5576 10.5576 10.7088 10.7088 10.9815 10.9815 11.1090 11.1090 11.2956 11.2956 11.6435 11.6435 11.6592 11.6592 11.9530 11.9530 12.4680 12.4680 15.6573 15.6573 16.0353 16.0353 16.6777 16.6777 17.1484 17.1484 k = 0.0865 0.0865 0.5807 ( 2500 PWs) bands (ev): -1.7821 -1.7821 -1.7716 -1.7716 -0.9776 -0.9776 -0.9203 -0.9203 -0.8904 -0.8904 6.5499 6.5499 6.7067 6.7067 8.4314 8.4314 8.5198 8.5198 8.9044 8.9044 8.9963 8.9963 10.1467 10.1467 10.5529 10.5529 10.5786 10.5786 10.7120 10.7120 10.9727 10.9727 11.0993 11.0993 11.2871 11.2871 11.6328 11.6328 11.6673 11.6673 11.9629 11.9629 12.5114 12.5114 15.6471 15.6471 16.1185 16.1185 16.8159 16.8159 17.2841 17.2841 k = 0.0769 0.0769 0.5807 ( 2498 PWs) bands (ev): -1.7818 -1.7818 -1.7710 -1.7710 -0.9769 -0.9769 -0.9199 -0.9199 -0.8904 -0.8904 6.5178 6.5178 6.7047 6.7047 8.4311 8.4311 8.5108 8.5108 8.8937 8.8937 8.9857 8.9857 10.1533 10.1533 10.5618 10.5618 10.5970 10.5970 10.7153 10.7153 10.9654 10.9654 11.0891 11.0891 11.2795 11.2795 11.6212 11.6212 11.6752 11.6752 11.9715 11.9715 12.5534 12.5534 15.6366 15.6366 16.2061 16.2061 16.9516 16.9516 17.4199 17.4199 k = 0.0673 0.0673 0.5807 ( 2502 PWs) bands (ev): -1.7815 -1.7815 -1.7705 -1.7705 -0.9764 -0.9764 -0.9195 -0.9195 -0.8903 -0.8903 6.4894 6.4894 6.7027 6.7027 8.4277 8.4277 8.5052 8.5052 8.8838 8.8838 8.9778 8.9778 10.1595 10.1595 10.5699 10.5699 10.6127 10.6127 10.7188 10.7188 10.9597 10.9597 11.0785 11.0785 11.2730 11.2730 11.6104 11.6104 11.6818 11.6818 11.9789 11.9789 12.5928 12.5928 15.6264 15.6264 16.2969 16.2969 17.0834 17.0834 17.5562 17.5562 k = 0.0577 0.0577 0.5807 ( 2508 PWs) bands (ev): -1.7814 -1.7814 -1.7701 -1.7701 -0.9759 -0.9759 -0.9193 -0.9193 -0.8903 -0.8903 6.4646 6.4646 6.7008 6.7008 8.4223 8.4223 8.5024 8.5024 8.8749 8.8749 8.9721 8.9721 10.1652 10.1652 10.5769 10.5769 10.6257 10.6257 10.7226 10.7226 10.9557 10.9557 11.0678 11.0678 11.2675 11.2675 11.6007 11.6007 11.6871 11.6871 11.9850 11.9850 12.6286 12.6286 15.6169 15.6169 16.3892 16.3892 17.2097 17.2097 17.6936 17.6936 k = 0.0481 0.0481 0.5807 ( 2512 PWs) bands (ev): -1.7812 -1.7812 -1.7697 -1.7697 -0.9754 -0.9754 -0.9191 -0.9191 -0.8903 -0.8903 6.4436 6.4436 6.6991 6.6991 8.4161 8.4161 8.5012 8.5012 8.8671 8.8671 8.9683 8.9683 10.1703 10.1703 10.5830 10.5830 10.6362 10.6362 10.7265 10.7265 10.9535 10.9535 11.0571 11.0571 11.2630 11.2630 11.5923 11.5923 11.6912 11.6912 11.9901 11.9901 12.6602 12.6602 15.6084 15.6084 16.4803 16.4803 17.3295 17.3295 17.8327 17.8327 k = 0.0385 0.0385 0.5807 ( 2516 PWs) bands (ev): -1.7810 -1.7810 -1.7694 -1.7694 -0.9751 -0.9751 -0.9189 -0.9189 -0.8903 -0.8903 6.4263 6.4263 6.6976 6.6976 8.4102 8.4102 8.5008 8.5008 8.8606 8.8606 8.9659 8.9659 10.1747 10.1747 10.5879 10.5879 10.6441 10.6441 10.7304 10.7304 10.9527 10.9527 11.0469 11.0469 11.2595 11.2595 11.5853 11.5853 11.6943 11.6943 11.9942 11.9942 12.6868 12.6868 15.6012 15.6012 16.5669 16.5669 17.4419 17.4419 17.9737 17.9737 k = 0.0288 0.0288 0.5807 ( 2512 PWs) bands (ev): -1.7809 -1.7809 -1.7692 -1.7692 -0.9748 -0.9748 -0.9187 -0.9187 -0.8902 -0.8902 6.4128 6.4128 6.6964 6.6964 8.4050 8.4050 8.5007 8.5007 8.8555 8.8555 8.9644 8.9644 10.1782 10.1782 10.5918 10.5918 10.6499 10.6499 10.7340 10.7340 10.9532 10.9532 11.0376 11.0376 11.2569 11.2569 11.5797 11.5797 11.6967 11.6967 11.9974 11.9974 12.7080 12.7080 15.5954 15.5954 16.6441 16.6441 17.5464 17.5464 18.1151 18.1151 k = 0.0192 0.0192 0.5807 ( 2512 PWs) bands (ev): -1.7808 -1.7808 -1.7690 -1.7690 -0.9746 -0.9746 -0.9186 -0.9186 -0.8902 -0.8902 6.4032 6.4032 6.6956 6.6956 8.4012 8.4012 8.5008 8.5008 8.8518 8.8518 8.9636 8.9636 10.1808 10.1808 10.5945 10.5945 10.6538 10.6538 10.7369 10.7369 10.9544 10.9544 11.0300 11.0300 11.2551 11.2551 11.5757 11.5757 11.6983 11.6983 11.9996 11.9996 12.7233 12.7233 15.5912 15.5912 16.7062 16.7062 17.6419 17.6419 18.2300 18.2300 k = 0.0096 0.0096 0.5807 ( 2512 PWs) bands (ev): -1.7808 -1.7808 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8902 -0.8902 6.3974 6.3974 6.6950 6.6950 8.3988 8.3988 8.5008 8.5008 8.8496 8.8496 8.9632 8.9632 10.1823 10.1823 10.5961 10.5961 10.6560 10.6560 10.7388 10.7388 10.9557 10.9557 11.0249 11.0249 11.2541 11.2541 11.5733 11.5733 11.6992 11.6992 12.0009 12.0009 12.7326 12.7326 15.5886 15.5886 16.7468 16.7468 17.7212 17.7212 18.1468 18.1468 k = 0.0000 0.0000 0.5807 ( 2512 PWs) bands (ev): -1.7807 -1.7807 -1.7689 -1.7689 -0.9744 -0.9744 -0.9185 -0.9185 -0.8902 -0.8902 6.3954 6.3954 6.6949 6.6949 8.3980 8.3980 8.5009 8.5009 8.8488 8.8488 8.9631 8.9631 10.1829 10.1829 10.5967 10.5967 10.6567 10.6567 10.7394 10.7394 10.9562 10.9562 11.0231 11.0231 11.2537 11.2537 11.5725 11.5725 11.6995 11.6995 12.0014 12.0014 12.7358 12.7358 15.5877 15.5877 16.7610 16.7610 17.7570 17.7570 18.1020 18.1020 k = 0.0000 0.5000-0.0000 ( 2518 PWs) bands (ev): -1.8156 -1.8156 -1.7819 -1.7819 -0.9919 -0.9919 -0.9441 -0.9441 -0.9350 -0.9350 5.3103 5.3103 6.5941 6.5941 8.9640 8.9640 9.2284 9.2284 9.4098 9.4098 9.6538 9.6538 9.7399 9.7399 9.8730 9.8730 10.3508 10.3508 10.5590 10.5590 11.0364 11.0364 11.1060 11.1060 11.1411 11.1411 11.2147 11.2147 11.3052 11.3052 11.6568 11.6568 12.3005 12.3005 16.1078 16.1078 16.5525 16.5525 17.2730 17.2730 17.9147 17.9147 k = 0.0000 0.5000 0.0138 ( 2516 PWs) bands (ev): -1.8156 -1.8156 -1.7819 -1.7819 -0.9918 -0.9918 -0.9441 -0.9441 -0.9350 -0.9350 5.3116 5.3116 6.5958 6.5958 8.9646 8.9646 9.2274 9.2274 9.4109 9.4109 9.6536 9.6536 9.7396 9.7396 9.8726 9.8726 10.3501 10.3501 10.5577 10.5577 11.0353 11.0353 11.1074 11.1074 11.1339 11.1339 11.2229 11.2229 11.3056 11.3056 11.6570 11.6570 12.2989 12.2989 16.1110 16.1110 16.5508 16.5508 17.2762 17.2762 17.9140 17.9140 k = 0.0000 0.5000 0.0277 ( 2514 PWs) bands (ev): -1.8154 -1.8154 -1.7820 -1.7820 -0.9915 -0.9915 -0.9443 -0.9443 -0.9350 -0.9350 5.3153 5.3153 6.6010 6.6010 8.9664 8.9664 9.2243 9.2243 9.4143 9.4143 9.6529 9.6529 9.7387 9.7387 9.8716 9.8716 10.3479 10.3479 10.5540 10.5540 11.0321 11.0321 11.1084 11.1084 11.1211 11.1211 11.2415 11.2415 11.3067 11.3067 11.6577 11.6577 12.2945 12.2945 16.1208 16.1208 16.5454 16.5454 17.2860 17.2860 17.9117 17.9117 k = 0.0000 0.5000 0.0415 ( 2522 PWs) bands (ev): -1.8151 -1.8151 -1.7821 -1.7821 -0.9910 -0.9910 -0.9447 -0.9447 -0.9350 -0.9350 5.3216 5.3216 6.6096 6.6096 8.9694 8.9694 9.2194 9.2194 9.4196 9.4196 9.6516 9.6516 9.7370 9.7370 9.8700 9.8700 10.3443 10.3443 10.5481 10.5481 11.0270 11.0270 11.0932 11.0932 11.1244 11.1244 11.2640 11.2640 11.3085 11.3085 11.6588 11.6588 12.2870 12.2870 16.1370 16.1370 16.5363 16.5363 17.3022 17.3022 17.9075 17.9075 k = 0.0000 0.5000 0.0553 ( 2522 PWs) bands (ev): -1.8147 -1.8147 -1.7821 -1.7821 -0.9902 -0.9902 -0.9450 -0.9450 -0.9350 -0.9350 5.3304 5.3304 6.6217 6.6217 8.9735 8.9735 9.2128 9.2128 9.4266 9.4266 9.6498 9.6498 9.7347 9.7347 9.8679 9.8679 10.3393 10.3393 10.5401 10.5401 11.0205 11.0205 11.0730 11.0730 11.1350 11.1350 11.2878 11.2878 11.3111 11.3111 11.6606 11.6606 12.2767 12.2767 16.1593 16.1593 16.5229 16.5229 17.3247 17.3247 17.9006 17.9006 k = 0.0000 0.5000 0.0691 ( 2522 PWs) bands (ev): -1.8143 -1.8143 -1.7822 -1.7822 -0.9893 -0.9893 -0.9455 -0.9455 -0.9350 -0.9350 5.3417 5.3417 6.6372 6.6372 8.9787 8.9787 9.2048 9.2048 9.4351 9.4351 9.6475 9.6475 9.7316 9.7316 9.8654 9.8654 10.3330 10.3330 10.5305 10.5305 11.0129 11.0129 11.0527 11.0527 11.1482 11.1482 11.3093 11.3093 11.3167 11.3167 11.6631 11.6631 12.2637 12.2637 16.1873 16.1873 16.5050 16.5050 17.3532 17.3532 17.8900 17.8900 k = 0.0000 0.5000 0.0830 ( 2512 PWs) bands (ev): -1.8136 -1.8136 -1.7823 -1.7823 -0.9881 -0.9881 -0.9461 -0.9461 -0.9348 -0.9348 5.3554 5.3554 6.6560 6.6560 8.9850 8.9850 9.1955 9.1955 9.4447 9.4447 9.6446 9.6446 9.7276 9.7276 9.8627 9.8627 10.3254 10.3254 10.5195 10.5195 11.0043 11.0043 11.0332 11.0332 11.1632 11.1632 11.3158 11.3158 11.3374 11.3374 11.6666 11.6666 12.2482 12.2482 16.2201 16.2201 16.4823 16.4823 17.3874 17.3874 17.8740 17.8740 k = 0.0000 0.5000 0.0968 ( 2520 PWs) bands (ev): -1.8130 -1.8130 -1.7825 -1.7825 -0.9869 -0.9869 -0.9469 -0.9469 -0.9347 -0.9347 5.3717 5.3717 6.6781 6.6781 8.9923 8.9923 9.1851 9.1851 9.4551 9.4551 9.6411 9.6411 9.7226 9.7226 9.8600 9.8600 10.3167 10.3167 10.5074 10.5074 10.9952 10.9952 11.0148 11.0148 11.1795 11.1795 11.3194 11.3194 11.3603 11.3603 11.6712 11.6712 12.2303 12.2303 16.2554 16.2554 16.4560 16.4560 17.4266 17.4266 17.8508 17.8508 k = 0.0000 0.5000 0.1106 ( 2520 PWs) bands (ev): -1.8123 -1.8123 -1.7827 -1.7827 -0.9855 -0.9855 -0.9477 -0.9477 -0.9345 -0.9345 5.3904 5.3904 6.7035 6.7035 9.0006 9.0006 9.1737 9.1737 9.4660 9.4660 9.6370 9.6370 9.7165 9.7165 9.8576 9.8576 10.3069 10.3069 10.4946 10.4946 10.9856 10.9856 10.9978 10.9978 11.1965 11.1965 11.3231 11.3231 11.3821 11.3821 11.6773 11.6773 12.2102 12.2102 16.2856 16.2856 16.4323 16.4323 17.4693 17.4693 17.8185 17.8185 k = 0.0000 0.5000 0.1244 ( 2528 PWs) bands (ev): -1.8114 -1.8114 -1.7829 -1.7829 -0.9839 -0.9839 -0.9487 -0.9487 -0.9343 -0.9343 5.4115 5.4115 6.7321 6.7321 9.0096 9.0096 9.1613 9.1613 9.4771 9.4771 9.6324 9.6324 9.7093 9.7093 9.8558 9.8558 10.2963 10.2963 10.4811 10.4811 10.9759 10.9759 10.9823 10.9823 11.2137 11.2137 11.3269 11.3269 11.4022 11.4022 11.6853 11.6853 12.1883 12.1883 16.2883 16.2883 16.4323 16.4323 17.5118 17.5118 17.7772 17.7772 k = 0.0000 0.5000 0.1383 ( 2520 PWs) bands (ev): -1.8105 -1.8105 -1.7831 -1.7831 -0.9822 -0.9822 -0.9496 -0.9496 -0.9340 -0.9340 5.4351 5.4351 6.7639 6.7639 9.0193 9.0193 9.1480 9.1480 9.4879 9.4879 9.6274 9.6274 9.7010 9.7010 9.8547 9.8547 10.2850 10.2850 10.4673 10.4673 10.9664 10.9664 10.9685 10.9685 11.2308 11.2308 11.3311 11.3311 11.4204 11.4204 11.6955 11.6955 12.1648 12.1648 16.2496 16.2496 16.4687 16.4687 17.5407 17.5407 17.7366 17.7366 k = 0.0000 0.5000 0.1521 ( 2524 PWs) bands (ev): -1.8095 -1.8095 -1.7834 -1.7834 -0.9805 -0.9805 -0.9507 -0.9507 -0.9336 -0.9336 5.4610 5.4610 6.7986 6.7986 9.0295 9.0295 9.1337 9.1337 9.4979 9.4979 9.6222 9.6222 9.6919 9.6919 9.8547 9.8547 10.2730 10.2730 10.4532 10.4532 10.9564 10.9564 10.9573 10.9573 11.2470 11.2470 11.3354 11.3354 11.4362 11.4362 11.7079 11.7079 12.1399 12.1399 16.1854 16.1854 16.5251 16.5251 17.5180 17.5180 17.7306 17.7306 k = 0.0000 0.5000 0.1659 ( 2520 PWs) bands (ev): -1.8085 -1.8085 -1.7836 -1.7836 -0.9787 -0.9787 -0.9516 -0.9516 -0.9331 -0.9331 5.4894 5.4894 6.8363 6.8363 9.0400 9.0400 9.1187 9.1187 9.5063 9.5063 9.6171 9.6171 9.6822 9.6822 9.8559 9.8559 10.2606 10.2606 10.4391 10.4391 10.9461 10.9461 10.9487 10.9487 11.2621 11.2621 11.3403 11.3403 11.4496 11.4496 11.7229 11.7229 12.1139 12.1139 16.1052 16.1052 16.5916 16.5916 17.4282 17.4282 17.7721 17.7721 k = 0.0000 0.5000 0.1797 ( 2524 PWs) bands (ev): -1.8074 -1.8074 -1.7840 -1.7840 -0.9771 -0.9771 -0.9525 -0.9525 -0.9326 -0.9326 5.5201 5.5201 6.8768 6.8768 9.0500 9.0500 9.1031 9.1031 9.5121 9.5121 9.6122 9.6122 9.6730 9.6730 9.8583 9.8583 10.2479 10.2479 10.4249 10.4249 10.9374 10.9374 10.9410 10.9410 11.2753 11.2753 11.3457 11.3457 11.4608 11.4608 11.7402 11.7402 12.0872 12.0872 16.0127 16.0127 16.6648 16.6648 17.2986 17.2986 17.8089 17.8089 k = 0.0000 0.5000 0.1936 ( 2510 PWs) bands (ev): -1.8062 -1.8062 -1.7842 -1.7842 -0.9755 -0.9755 -0.9531 -0.9531 -0.9319 -0.9319 5.5530 5.5530 6.9201 6.9201 9.0578 9.0578 9.0887 9.0887 9.5143 9.5143 9.6071 9.6071 9.6658 9.6658 9.8621 9.8621 10.2350 10.2350 10.4109 10.4109 10.9304 10.9304 10.9345 10.9345 11.2864 11.2864 11.3515 11.3515 11.4700 11.4700 11.7598 11.7598 12.0602 12.0602 15.9099 15.9099 16.7433 16.7433 17.1460 17.1460 17.7700 17.7700 k = 0.0000 0.5000 0.2074 ( 2502 PWs) bands (ev): -1.8050 -1.8050 -1.7845 -1.7845 -0.9742 -0.9742 -0.9534 -0.9534 -0.9311 -0.9311 5.5883 5.5883 6.9659 6.9659 9.0547 9.0547 9.0838 9.0838 9.5124 9.5124 9.6009 9.6009 9.6623 9.6623 9.8673 9.8673 10.2219 10.2219 10.3972 10.3972 10.9246 10.9246 10.9295 10.9295 11.2952 11.2952 11.3575 11.3575 11.4776 11.4776 11.7811 11.7811 12.0333 12.0333 15.7986 15.7986 16.8245 16.8245 16.9814 16.9814 17.7437 17.7437 k = 0.0000 0.5000 0.2212 ( 2496 PWs) bands (ev): -1.8038 -1.8038 -1.7849 -1.7849 -0.9734 -0.9734 -0.9532 -0.9532 -0.9303 -0.9303 5.6258 5.6258 7.0142 7.0142 9.0382 9.0382 9.0901 9.0901 9.5063 9.5063 9.5927 9.5927 9.6639 9.6639 9.8737 9.8737 10.2089 10.2089 10.3838 10.3838 10.9200 10.9200 10.9263 10.9263 11.3019 11.3019 11.3631 11.3631 11.4841 11.4841 11.8038 11.8038 12.0070 12.0070 15.6804 15.6804 16.7951 16.7951 16.9233 16.9233 17.7286 17.7286 k = 0.0000 0.5000 0.2351 ( 2496 PWs) bands (ev): -1.8026 -1.8026 -1.7853 -1.7853 -0.9732 -0.9732 -0.9527 -0.9527 -0.9293 -0.9293 5.6654 5.6654 7.0647 7.0647 9.0171 9.0171 9.0987 9.0987 9.4970 9.4970 9.5826 9.5826 9.6699 9.6699 9.8815 9.8815 10.1959 10.1959 10.3708 10.3708 10.9165 10.9165 10.9249 10.9249 11.3069 11.3069 11.3675 11.3675 11.4899 11.4899 11.8271 11.8271 11.9820 11.9820 15.5569 15.5569 16.6180 16.6180 17.0120 17.0120 17.7234 17.7234 k = 0.0000 0.5000 0.2489 ( 2504 PWs) bands (ev): -1.8015 -1.8015 -1.7857 -1.7857 -0.9736 -0.9736 -0.9517 -0.9517 -0.9283 -0.9283 5.7072 5.7072 7.1173 7.1173 8.9934 8.9934 9.1069 9.1069 9.4851 9.4851 9.5717 9.5717 9.6790 9.6790 9.8905 9.8905 10.1830 10.1830 10.3584 10.3584 10.9143 10.9143 10.9252 10.9252 11.3105 11.3105 11.3702 11.3702 11.4952 11.4952 11.8495 11.8495 11.9597 11.9597 15.4296 15.4296 16.4353 16.4353 17.1075 17.1075 17.7268 17.7268 k = 0.0000 0.5000 0.2627 ( 2504 PWs) bands (ev): -1.8003 -1.8003 -1.7862 -1.7862 -0.9743 -0.9743 -0.9502 -0.9502 -0.9271 -0.9271 5.7510 5.7510 7.1718 7.1718 8.9674 8.9674 9.1137 9.1137 9.4717 9.4717 9.5609 9.5609 9.6900 9.6900 9.9009 9.9009 10.1704 10.1704 10.3466 10.3466 10.9134 10.9134 10.9271 10.9271 11.3133 11.3133 11.3707 11.3707 11.5002 11.5002 11.8675 11.8675 11.9442 11.9442 15.2998 15.2998 16.2514 16.2514 17.2066 17.2066 17.7380 17.7380 k = 0.0000 0.5000 0.2765 ( 2504 PWs) bands (ev): -1.7992 -1.7992 -1.7866 -1.7866 -0.9754 -0.9754 -0.9486 -0.9486 -0.9257 -0.9257 5.7967 5.7967 7.2280 7.2280 8.9391 8.9391 9.1188 9.1188 9.4576 9.4576 9.5510 9.5510 9.7021 9.7021 9.9125 9.9125 10.1581 10.1581 10.3354 10.3354 10.9140 10.9140 10.9305 10.9305 11.3154 11.3154 11.3690 11.3690 11.5046 11.5046 11.8727 11.8727 11.9439 11.9439 15.1685 15.1685 16.0678 16.0678 17.3086 17.3086 17.7563 17.7563 k = 0.0000 0.5000 0.2904 ( 2504 PWs) bands (ev): -1.7980 -1.7980 -1.7871 -1.7871 -0.9767 -0.9767 -0.9468 -0.9468 -0.9241 -0.9241 5.8444 5.8444 7.2856 7.2856 8.9084 8.9084 9.1216 9.1216 9.4432 9.4432 9.5424 9.5424 9.7146 9.7146 9.9252 9.9252 10.1463 10.1463 10.3248 10.3248 10.9159 10.9159 10.9352 10.9352 11.3170 11.3170 11.3650 11.3650 11.5082 11.5082 11.8639 11.8639 11.9603 11.9603 15.0366 15.0366 15.8854 15.8854 17.4126 17.4126 17.7814 17.7814 k = 0.0000 0.5000 0.3042 ( 2504 PWs) bands (ev): -1.7969 -1.7969 -1.7876 -1.7876 -0.9781 -0.9781 -0.9451 -0.9451 -0.9223 -0.9223 5.8939 5.8939 7.3443 7.3443 8.8750 8.8750 9.1221 9.1221 9.4291 9.4291 9.5356 9.5356 9.7272 9.7272 9.9392 9.9392 10.1351 10.1351 10.3147 10.3147 10.9192 10.9192 10.9411 10.9411 11.3184 11.3184 11.3589 11.3589 11.5107 11.5107 11.8502 11.8502 11.9844 11.9844 14.9049 14.9049 15.7051 15.7051 17.5173 17.5173 17.8139 17.8139 k = 0.0000 0.5000 0.3180 ( 2504 PWs) bands (ev): -1.7959 -1.7959 -1.7880 -1.7880 -0.9797 -0.9797 -0.9435 -0.9435 -0.9202 -0.9202 5.9451 5.9451 7.4040 7.4040 8.8390 8.8390 9.1200 9.1200 9.4154 9.4154 9.5310 9.5310 9.7397 9.7397 9.9541 9.9541 10.1246 10.1246 10.3053 10.3053 10.9239 10.9239 10.9482 10.9482 11.3196 11.3196 11.3510 11.3510 11.5116 11.5116 11.8369 11.8369 12.0115 12.0115 14.7741 14.7741 15.5275 15.5275 17.6205 17.6205 17.8551 17.8551 k = 0.0000 0.5000 0.3318 ( 2504 PWs) bands (ev): -1.7949 -1.7949 -1.7885 -1.7885 -0.9813 -0.9813 -0.9420 -0.9420 -0.9180 -0.9180 5.9979 5.9979 7.4642 7.4642 8.8002 8.8002 9.1155 9.1155 9.4021 9.4021 9.5288 9.5288 9.7520 9.7520 9.9700 9.9700 10.1151 10.1151 10.2963 10.2963 10.9296 10.9296 10.9563 10.9563 11.3207 11.3207 11.3415 11.3415 11.5109 11.5109 11.8256 11.8256 12.0400 12.0400 14.6445 14.6445 15.3532 15.3532 17.7181 17.7181 17.9085 17.9085 k = 0.0000 0.5000 0.3457 ( 2500 PWs) bands (ev): -1.7940 -1.7940 -1.7888 -1.7888 -0.9828 -0.9828 -0.9406 -0.9406 -0.9155 -0.9155 6.0521 6.0521 7.5246 7.5246 8.7586 8.7586 9.1091 9.1091 9.3891 9.3891 9.5288 9.5288 9.7640 9.7640 9.9866 9.9866 10.1066 10.1066 10.2877 10.2877 10.9364 10.9364 10.9654 10.9654 11.3218 11.3218 11.3305 11.3305 11.5086 11.5086 11.8169 11.8169 12.0694 12.0694 14.5168 14.5168 15.1826 15.1826 17.8040 17.8040 17.9797 17.9797 k = 0.0000 0.5000 0.3595 ( 2492 PWs) bands (ev): -1.7933 -1.7933 -1.7889 -1.7889 -0.9844 -0.9844 -0.9394 -0.9394 -0.9129 -0.9129 6.1076 6.1076 7.5848 7.5848 8.7143 8.7143 9.1012 9.1012 9.3764 9.3764 9.5311 9.5311 9.7758 9.7758 10.0036 10.0036 10.0994 10.0994 10.2796 10.2796 10.9440 10.9440 10.9752 10.9752 11.3181 11.3181 11.3232 11.3232 11.5048 11.5048 11.8110 11.8110 12.0995 12.0995 14.3911 14.3911 15.0163 15.0163 17.8755 17.8755 18.0706 18.0706 k = 0.0000 0.5000 0.3733 ( 2494 PWs) bands (ev): -1.7929 -1.7929 -1.7890 -1.7890 -0.9860 -0.9860 -0.9383 -0.9383 -0.9103 -0.9103 6.1642 6.1642 7.6445 7.6445 8.6676 8.6676 9.0923 9.0923 9.3638 9.3638 9.5351 9.5351 9.7873 9.7873 10.0206 10.0206 10.0938 10.0938 10.2718 10.2718 10.9521 10.9521 10.9857 10.9857 11.3049 11.3049 11.3245 11.3245 11.5000 11.5000 11.8078 11.8078 12.1302 12.1302 14.2679 14.2679 14.8549 14.8549 17.9372 17.9372 18.1759 18.1759 k = 0.0000 0.5000 0.3872 ( 2494 PWs) bands (ev): -1.7928 -1.7928 -1.7887 -1.7887 -0.9875 -0.9875 -0.9374 -0.9374 -0.9076 -0.9076 6.2217 6.2217 7.7032 7.7032 8.6186 8.6186 9.0828 9.0828 9.3515 9.3515 9.5405 9.5405 9.7989 9.7989 10.0367 10.0367 10.0904 10.0904 10.2644 10.2644 10.9606 10.9606 10.9966 10.9966 11.2907 11.2907 11.3260 11.3260 11.4945 11.4945 11.8069 11.8069 12.1616 12.1616 14.1474 14.1474 14.6987 14.6987 17.9949 17.9949 18.2894 18.2894 k = 0.0000 0.5000 0.4010 ( 2494 PWs) bands (ev): -1.7930 -1.7930 -1.7882 -1.7882 -0.9890 -0.9890 -0.9366 -0.9366 -0.9049 -0.9049 6.2799 6.2799 7.7605 7.7605 8.5677 8.5677 9.0733 9.0733 9.3393 9.3393 9.5468 9.5468 9.8105 9.8105 10.0501 10.0501 10.0909 10.0909 10.2574 10.2574 10.9692 10.9692 11.0077 11.0077 11.2758 11.2758 11.3277 11.3277 11.4890 11.4890 11.8081 11.8081 12.1937 12.1937 14.0299 14.0299 14.5483 14.5483 18.0517 18.0517 18.4072 18.4072 k = 0.0000 0.5000 0.4148 ( 2494 PWs) bands (ev): -1.7933 -1.7933 -1.7876 -1.7876 -0.9903 -0.9903 -0.9359 -0.9359 -0.9023 -0.9023 6.3384 6.3384 7.8159 7.8159 8.5154 8.5154 9.0641 9.0641 9.3274 9.3274 9.5535 9.5535 9.8225 9.8225 10.0581 10.0581 10.0972 10.0972 10.2510 10.2510 10.9778 10.9778 11.0188 11.0188 11.2605 11.2605 11.3293 11.3293 11.4840 11.4840 11.8109 11.8109 12.2268 12.2268 13.9154 13.9154 14.4044 14.4044 18.1090 18.1090 18.5267 18.5267 k = 0.0000 0.5000 0.4286 ( 2494 PWs) bands (ev): -1.7937 -1.7937 -1.7870 -1.7870 -0.9916 -0.9916 -0.9352 -0.9352 -0.8997 -0.8997 6.3969 6.3969 7.8689 7.8689 8.4620 8.4620 9.0554 9.0554 9.3158 9.3158 9.5602 9.5602 9.8350 9.8350 10.0609 10.0609 10.1088 10.1088 10.2454 10.2454 10.9862 10.9862 11.0296 11.0296 11.2450 11.2450 11.3309 11.3309 11.4799 11.4799 11.8151 11.8151 12.2609 12.2609 13.8043 13.8043 14.2675 14.2675 18.1674 18.1674 18.6465 18.6465 k = 0.0000 0.5000 0.4425 ( 2498 PWs) bands (ev): -1.7941 -1.7941 -1.7864 -1.7864 -0.9928 -0.9928 -0.9347 -0.9347 -0.8973 -0.8973 6.4549 6.4549 7.9190 7.9190 8.4081 8.4081 9.0475 9.0475 9.3048 9.3048 9.5665 9.5665 9.8482 9.8482 10.0612 10.0612 10.1220 10.1220 10.2410 10.2410 10.9943 10.9943 11.0397 11.0397 11.2296 11.2296 11.3323 11.3323 11.4772 11.4772 11.8204 11.8204 12.2964 12.2964 13.6966 13.6966 14.1383 14.1383 18.2268 18.2268 18.7649 18.7649 k = 0.0000 0.5000 0.4563 ( 2500 PWs) bands (ev): -1.7945 -1.7945 -1.7858 -1.7858 -0.9940 -0.9940 -0.9343 -0.9343 -0.8951 -0.8951 6.5121 6.5121 7.9657 7.9657 8.3546 8.3546 9.0404 9.0404 9.2942 9.2942 9.5723 9.5723 9.8620 9.8620 10.0608 10.0608 10.1341 10.1341 10.2384 10.2384 11.0019 11.0019 11.0490 11.0490 11.2146 11.2146 11.3335 11.3335 11.4760 11.4760 11.8263 11.8263 12.3333 12.3333 13.5925 13.5925 14.0175 14.0175 18.2871 18.2871 18.8800 18.8800 k = 0.0000 0.5000 0.4701 ( 2504 PWs) bands (ev): -1.7949 -1.7949 -1.7853 -1.7853 -0.9950 -0.9950 -0.9339 -0.9339 -0.8930 -0.8930 6.5677 6.5677 8.0084 8.0084 8.3022 8.3022 9.0344 9.0344 9.2844 9.2844 9.5773 9.5773 9.8766 9.8766 10.0599 10.0599 10.1435 10.1435 10.2384 10.2384 11.0091 11.0091 11.0572 11.0572 11.2002 11.2002 11.3342 11.3342 11.4763 11.4763 11.8328 11.8328 12.3720 12.3720 13.4923 13.4923 13.9060 13.9060 18.3477 18.3477 18.9893 18.9893 k = 0.0000 0.5000 0.4839 ( 2504 PWs) bands (ev): -1.7953 -1.7953 -1.7849 -1.7849 -0.9959 -0.9959 -0.9335 -0.9335 -0.8911 -0.8911 6.6210 6.6210 8.0463 8.0463 8.2521 8.2521 9.0293 9.0293 9.2753 9.2753 9.5816 9.5816 9.8918 9.8918 10.0588 10.0588 10.1493 10.1493 10.2412 10.2412 11.0156 11.0156 11.0642 11.0642 11.1869 11.1869 11.3346 11.3346 11.4782 11.4782 11.8395 11.8395 12.4127 12.4127 13.3961 13.3961 13.8044 13.8044 18.4081 18.4081 19.0900 19.0900 k = 0.0000 0.5000 0.4978 ( 2506 PWs) bands (ev): -1.7956 -1.7956 -1.7845 -1.7845 -0.9967 -0.9967 -0.9332 -0.9332 -0.8893 -0.8893 6.6711 6.6711 8.0781 8.0781 8.2064 8.2064 9.0253 9.0253 9.2671 9.2671 9.5850 9.5850 9.9073 9.9073 10.0572 10.0572 10.1516 10.1516 10.2467 10.2467 11.0214 11.0214 11.0699 11.0699 11.1748 11.1748 11.3346 11.3346 11.4811 11.4811 11.8461 11.8461 12.4555 12.4555 13.3041 13.3041 13.7138 13.7138 18.4671 18.4671 19.1793 19.1793 k = 0.0000 0.5000 0.5116 ( 2510 PWs) bands (ev): -1.7959 -1.7959 -1.7841 -1.7841 -0.9974 -0.9974 -0.9330 -0.9330 -0.8879 -0.8879 6.7170 6.7170 8.0990 8.0990 8.1706 8.1706 9.0221 9.0221 9.2599 9.2599 9.5877 9.5877 9.9228 9.9228 10.0551 10.0551 10.1512 10.1512 10.2537 10.2537 11.0265 11.0265 11.0743 11.0743 11.1642 11.1642 11.3343 11.3343 11.4847 11.4847 11.8524 11.8524 12.5005 12.5005 13.2167 13.2167 13.6351 13.6351 18.5233 18.5233 19.2554 19.2554 k = 0.0000 0.5000 0.5254 ( 2510 PWs) bands (ev): -1.7961 -1.7961 -1.7838 -1.7838 -0.9979 -0.9979 -0.9328 -0.9328 -0.8867 -0.8867 6.7574 6.7574 8.0944 8.0944 8.1604 8.1604 9.0198 9.0198 9.2538 9.2538 9.5897 9.5897 9.9379 9.9379 10.0522 10.0522 10.1493 10.1493 10.2610 10.2610 11.0308 11.0308 11.0774 11.0774 11.1555 11.1555 11.3339 11.3339 11.4886 11.4886 11.8581 11.8581 12.5475 12.5475 13.1345 13.1345 13.5691 13.5691 18.5750 18.5750 19.3175 19.3175 k = 0.0000 0.5000 0.5392 ( 2506 PWs) bands (ev): -1.7963 -1.7963 -1.7836 -1.7836 -0.9984 -0.9984 -0.9326 -0.9326 -0.8857 -0.8857 6.7908 6.7908 8.0709 8.0709 8.1703 8.1703 9.0182 9.0182 9.2489 9.2489 9.5912 9.5912 9.9519 9.9519 10.0485 10.0485 10.1469 10.1469 10.2675 10.2675 11.0343 11.0343 11.0794 11.0794 11.1488 11.1488 11.3335 11.3335 11.4922 11.4922 11.8629 11.8629 12.5957 12.5957 13.0585 13.0585 13.5166 13.5166 18.6198 18.6198 19.3658 19.3658 k = 0.0000 0.5000 0.5531 ( 2498 PWs) bands (ev): -1.7964 -1.7964 -1.7833 -1.7833 -0.9987 -0.9987 -0.9325 -0.9325 -0.8849 -0.8849 6.8161 6.8161 8.0489 8.0489 8.1814 8.1814 9.0171 9.0171 9.2453 9.2453 9.5922 9.5922 9.9638 9.9638 10.0445 10.0445 10.1448 10.1448 10.2727 10.2727 11.0369 11.0369 11.0806 11.0806 11.1441 11.1441 11.3332 11.3332 11.4951 11.4951 11.8665 11.8665 12.6429 12.6429 12.9913 12.9913 13.4786 13.4786 18.6549 18.6549 19.4006 19.4006 k = 0.0000 0.5000 0.5669 ( 2504 PWs) bands (ev): -1.7966 -1.7966 -1.7833 -1.7833 -0.9989 -0.9989 -0.9324 -0.9324 -0.8846 -0.8846 6.8318 6.8318 8.0345 8.0345 8.1888 8.1888 9.0165 9.0165 9.2431 9.2431 9.5927 9.5927 9.9721 9.9721 10.0409 10.0409 10.1433 10.1433 10.2759 10.2759 11.0385 11.0385 11.0811 11.0811 11.1412 11.1412 11.3330 11.3330 11.4970 11.4970 11.8688 11.8688 12.6828 12.6828 12.9393 12.9393 13.4555 13.4555 18.6774 18.6774 19.4216 19.4216 k = 0.0000 0.5000 0.5807 ( 2496 PWs) bands (ev): -1.7965 -1.7965 -1.7832 -1.7832 -0.9989 -0.9989 -0.9323 -0.9323 -0.8844 -0.8844 6.8371 6.8371 8.0295 8.0295 8.1913 8.1913 9.0164 9.0164 9.2424 9.2424 9.5929 9.5929 9.9752 9.9752 10.0395 10.0395 10.1428 10.1428 10.2771 10.2771 11.0390 11.0390 11.0812 11.0812 11.1403 11.1403 11.3329 11.3329 11.4976 11.4976 11.8696 11.8696 12.7003 12.7003 12.9178 12.9178 13.4478 13.4478 18.6852 18.6852 19.4286 19.4286 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7868 -1.7868 -1.7683 -1.7683 -0.9530 -0.9530 -0.9340 -0.9340 -0.9084 -0.9084 7.0777 7.0777 7.3124 7.3124 7.3169 7.3169 8.9500 8.9500 9.1614 9.1614 9.3879 9.3879 9.6992 9.6992 9.8333 9.8333 10.5801 10.5801 10.7692 10.7692 10.7944 10.7944 10.8038 10.8038 11.0127 11.0127 11.1507 11.1507 11.3389 11.3389 11.4288 11.4288 11.7002 11.7002 13.4780 13.4780 13.5943 13.5943 20.6755 20.6755 21.4585 21.4585 k = 0.5000 0.5000 0.0138 ( 2540 PWs) bands (ev): -1.7869 -1.7869 -1.7684 -1.7684 -0.9531 -0.9531 -0.9341 -0.9341 -0.9085 -0.9085 7.0760 7.0760 7.3142 7.3142 7.3188 7.3188 8.9523 8.9523 9.1611 9.1611 9.3886 9.3886 9.6808 9.6808 9.8527 9.8527 10.5794 10.5794 10.7495 10.7495 10.7935 10.7935 10.8238 10.8238 11.0135 11.0135 11.1518 11.1518 11.3387 11.3387 11.4290 11.4290 11.7020 11.7020 13.4778 13.4778 13.5940 13.5940 20.6401 20.6401 21.4228 21.4228 k = 0.5000 0.5000 0.0277 ( 2540 PWs) bands (ev): -1.7869 -1.7869 -1.7685 -1.7685 -0.9530 -0.9530 -0.9344 -0.9344 -0.9088 -0.9088 7.0709 7.0709 7.3197 7.3197 7.3243 7.3243 8.9593 8.9593 9.1600 9.1600 9.3906 9.3906 9.6421 9.6421 9.8948 9.8948 10.5772 10.5772 10.7195 10.7195 10.7908 10.7908 10.8550 10.8550 11.0159 11.0159 11.1555 11.1555 11.3379 11.3379 11.4296 11.4296 11.7074 11.7074 13.4771 13.4771 13.5932 13.5932 20.5434 20.5434 21.3229 21.3229 k = 0.5000 0.5000 0.0415 ( 2540 PWs) bands (ev): -1.7870 -1.7870 -1.7688 -1.7688 -0.9527 -0.9527 -0.9348 -0.9348 -0.9093 -0.9093 7.0626 7.0626 7.3287 7.3287 7.3335 7.3335 8.9709 8.9709 9.1578 9.1578 9.3940 9.3940 9.5983 9.5983 9.9444 9.9444 10.5738 10.5738 10.6887 10.6887 10.7861 10.7861 10.8879 10.8879 11.0200 11.0200 11.1617 11.1617 11.3368 11.3368 11.4307 11.4307 11.7162 11.7162 13.4760 13.4760 13.5919 13.5919 20.4049 20.4049 21.1749 21.1749 k = 0.5000 0.5000 0.0553 ( 2532 PWs) bands (ev): -1.7871 -1.7871 -1.7691 -1.7691 -0.9523 -0.9523 -0.9354 -0.9354 -0.9099 -0.9099 7.0513 7.0513 7.3413 7.3413 7.3463 7.3463 8.9867 8.9867 9.1542 9.1542 9.3989 9.3989 9.5548 9.5548 9.9968 9.9968 10.5693 10.5693 10.6583 10.6583 10.7793 10.7793 10.9214 10.9214 11.0261 11.0261 11.1705 11.1705 11.3353 11.3353 11.4323 11.4323 11.7280 11.7280 13.4744 13.4744 13.5901 13.5901 20.2411 20.2411 20.9945 20.9945 k = 0.5000 0.5000 0.0691 ( 2532 PWs) bands (ev): -1.7872 -1.7872 -1.7695 -1.7695 -0.9519 -0.9519 -0.9363 -0.9363 -0.9108 -0.9108 7.0371 7.0371 7.3575 7.3575 7.3627 7.3627 9.0063 9.0063 9.1482 9.1482 9.4055 9.4055 9.5138 9.5138 10.0501 10.0501 10.5640 10.5640 10.6285 10.6285 10.7701 10.7701 10.9551 10.9551 11.0342 11.0342 11.1816 11.1816 11.3337 11.3337 11.4345 11.4345 11.7426 11.7426 13.4722 13.4722 13.5876 13.5876 20.0628 20.0628 20.7935 20.7935 k = 0.5000 0.5000 0.0830 ( 2532 PWs) bands (ev): -1.7873 -1.7873 -1.7701 -1.7701 -0.9513 -0.9513 -0.9373 -0.9373 -0.9118 -0.9118 7.0204 7.0204 7.3771 7.3771 7.3825 7.3825 9.0294 9.0294 9.1389 9.1389 9.4140 9.4140 9.4772 9.4772 10.1034 10.1034 10.5581 10.5581 10.5995 10.5995 10.7584 10.7584 10.9889 10.9889 11.0444 11.0444 11.1953 11.1953 11.3320 11.3320 11.4374 11.4374 11.7596 11.7596 13.4696 13.4696 13.5845 13.5845 19.8764 19.8764 20.5796 20.5796 k = 0.5000 0.5000 0.0968 ( 2532 PWs) bands (ev): -1.7875 -1.7875 -1.7708 -1.7708 -0.9506 -0.9506 -0.9386 -0.9386 -0.9129 -0.9129 7.0013 7.0013 7.4002 7.4002 7.4058 7.4058 9.0554 9.0554 9.1253 9.1253 9.4246 9.4246 9.4465 9.4465 10.1561 10.1561 10.5520 10.5520 10.5717 10.5717 10.7445 10.7445 11.0227 11.0227 11.0564 11.0564 11.2112 11.2112 11.3303 11.3303 11.4412 11.4412 11.7785 11.7785 13.4663 13.4663 13.5808 13.5808 19.6856 19.6856 20.3577 20.3577 k = 0.5000 0.5000 0.1106 ( 2532 PWs) bands (ev): -1.7878 -1.7878 -1.7715 -1.7715 -0.9498 -0.9498 -0.9401 -0.9401 -0.9141 -0.9141 6.9803 6.9803 7.4265 7.4265 7.4323 7.4323 9.0836 9.0836 9.1063 9.1063 9.4229 9.4229 9.4377 9.4377 10.2075 10.2075 10.5453 10.5453 10.5458 10.5458 10.7285 10.7285 11.0563 11.0563 11.0703 11.0703 11.2295 11.2295 11.3287 11.3287 11.4461 11.4461 11.7991 11.7991 13.4625 13.4625 13.5763 13.5763 19.4929 19.4929 20.1312 20.1312 k = 0.5000 0.5000 0.1244 ( 2532 PWs) bands (ev): -1.7881 -1.7881 -1.7723 -1.7723 -0.9489 -0.9489 -0.9419 -0.9419 -0.9153 -0.9153 6.9577 6.9577 7.4561 7.4561 7.4620 7.4620 9.0817 9.0817 9.1134 9.1134 9.4068 9.4068 9.4537 9.4537 10.2567 10.2567 10.5211 10.5211 10.5398 10.5398 10.7106 10.7106 11.0857 11.0857 11.0895 11.0895 11.2499 11.2499 11.3273 11.3273 11.4524 11.4524 11.8209 11.8209 13.4579 13.4579 13.5710 13.5710 19.2998 19.2998 19.9021 19.9021 k = 0.5000 0.5000 0.1383 ( 2524 PWs) bands (ev): -1.7884 -1.7884 -1.7731 -1.7731 -0.9479 -0.9479 -0.9438 -0.9438 -0.9165 -0.9165 6.9336 6.9336 7.4888 7.4888 7.4949 7.4949 9.0520 9.0520 9.1440 9.1440 9.3981 9.3981 9.4732 9.4732 10.3020 10.3020 10.5005 10.5005 10.5340 10.5340 10.6914 10.6914 11.1024 11.1024 11.1221 11.1221 11.2721 11.2721 11.3262 11.3262 11.4606 11.4606 11.8437 11.8437 13.4526 13.4526 13.5647 13.5647 19.1073 19.1073 19.6720 19.6720 k = 0.5000 0.5000 0.1521 ( 2524 PWs) bands (ev): -1.7888 -1.7888 -1.7741 -1.7741 -0.9468 -0.9468 -0.9461 -0.9461 -0.9178 -0.9178 6.9085 6.9085 7.5244 7.5244 7.5306 7.5306 9.0181 9.0181 9.1747 9.1747 9.3958 9.3958 9.4965 9.4965 10.3398 10.3398 10.4871 10.4871 10.5288 10.5288 10.6709 10.6709 11.1202 11.1202 11.1537 11.1537 11.2960 11.2960 11.3253 11.3253 11.4713 11.4713 11.8673 11.8673 13.4465 13.4465 13.5574 13.5574 18.9160 18.9160 19.4419 19.4419 k = 0.5000 0.5000 0.1659 ( 2524 PWs) bands (ev): -1.7892 -1.7892 -1.7752 -1.7752 -0.9486 -0.9486 -0.9455 -0.9455 -0.9191 -0.9191 6.8824 6.8824 7.5629 7.5629 7.5690 7.5690 8.9813 8.9813 9.2048 9.2048 9.3988 9.3988 9.5241 9.5241 10.3623 10.3623 10.4882 10.4882 10.5241 10.5241 10.6496 10.6496 11.1387 11.1387 11.1840 11.1840 11.3209 11.3209 11.3245 11.3245 11.4854 11.4854 11.8913 11.8913 13.4394 13.4394 13.5490 13.5490 18.7266 18.7266 19.2128 19.2128 k = 0.5000 0.5000 0.1797 ( 2532 PWs) bands (ev): -1.7897 -1.7897 -1.7763 -1.7763 -0.9514 -0.9514 -0.9442 -0.9442 -0.9204 -0.9204 6.8558 6.8558 7.6040 7.6040 7.6101 7.6101 8.9426 8.9426 9.2340 9.2340 9.4064 9.4064 9.5562 9.5562 10.3649 10.3649 10.5087 10.5087 10.5199 10.5199 10.6277 10.6277 11.1577 11.1577 11.2124 11.2124 11.3240 11.3240 11.3462 11.3462 11.5039 11.5039 11.9156 11.9156 13.4313 13.4313 13.5393 13.5393 18.5395 18.5395 18.9852 18.9852 k = 0.5000 0.5000 0.1936 ( 2548 PWs) bands (ev): -1.7904 -1.7904 -1.7776 -1.7776 -0.9545 -0.9545 -0.9428 -0.9428 -0.9217 -0.9217 6.8288 6.8288 7.6475 7.6475 7.6534 7.6534 8.9029 8.9029 9.2620 9.2620 9.4176 9.4176 9.5928 9.5928 10.3544 10.3544 10.5164 10.5164 10.5414 10.5414 10.6056 10.6056 11.1770 11.1770 11.2385 11.2385 11.3238 11.3238 11.3714 11.3714 11.5278 11.5278 11.9399 11.9399 13.4220 13.4220 13.5282 13.5282 18.3549 18.3549 18.7598 18.7598 k = 0.5000 0.5000 0.2074 ( 2532 PWs) bands (ev): -1.7909 -1.7909 -1.7788 -1.7788 -0.9576 -0.9576 -0.9411 -0.9411 -0.9229 -0.9229 6.8017 6.8017 7.6932 7.6932 7.6989 7.6989 8.8629 8.8629 9.2890 9.2890 9.4321 9.4321 9.6339 9.6339 10.3389 10.3389 10.5135 10.5135 10.5786 10.5786 10.5839 10.5839 11.1966 11.1966 11.2618 11.2618 11.3241 11.3241 11.3963 11.3963 11.5577 11.5577 11.9642 11.9642 13.4115 13.4115 13.5154 13.5154 18.1732 18.1732 18.5370 18.5370 k = 0.5000 0.5000 0.2212 ( 2532 PWs) bands (ev): -1.7915 -1.7915 -1.7800 -1.7800 -0.9609 -0.9609 -0.9394 -0.9394 -0.9241 -0.9241 6.7745 6.7745 7.7408 7.7408 7.7461 7.7461 8.8230 8.8230 9.3153 9.3153 9.4495 9.4495 9.6788 9.6788 10.3217 10.3217 10.5105 10.5105 10.5632 10.5632 10.6165 10.6165 11.2158 11.2158 11.2819 11.2819 11.3248 11.3248 11.4208 11.4208 11.5937 11.5937 11.9882 11.9882 13.3996 13.3996 13.5009 13.5009 17.9945 17.9945 18.3173 18.3173 k = 0.5000 0.5000 0.2351 ( 2532 PWs) bands (ev): -1.7923 -1.7923 -1.7814 -1.7814 -0.9644 -0.9644 -0.9376 -0.9376 -0.9252 -0.9252 6.7475 6.7475 7.7901 7.7901 7.7948 7.7948 8.7835 8.7835 9.3414 9.3414 9.4696 9.4696 9.7271 9.7271 10.3046 10.3046 10.5062 10.5062 10.5451 10.5451 10.6538 10.6538 11.2344 11.2344 11.2988 11.2988 11.3262 11.3262 11.4452 11.4452 11.6352 11.6352 12.0119 12.0119 13.3860 13.3860 13.4842 13.4842 17.8191 17.8191 18.1011 18.1011 k = 0.5000 0.5000 0.2489 ( 2508 PWs) bands (ev): -1.7928 -1.7928 -1.7826 -1.7826 -0.9680 -0.9680 -0.9355 -0.9355 -0.9262 -0.9262 6.7209 6.7209 7.8407 7.8407 7.8446 7.8446 8.7448 8.7448 9.3677 9.3677 9.4923 9.4923 9.7782 9.7782 10.2881 10.2881 10.4975 10.4975 10.5331 10.5331 10.6901 10.6901 11.2519 11.2519 11.3127 11.3127 11.3289 11.3289 11.4698 11.4698 11.6817 11.6817 12.0350 12.0350 13.3707 13.3707 13.4653 13.4653 17.6470 17.6470 17.8888 17.8888 k = 0.5000 0.5000 0.2627 ( 2500 PWs) bands (ev): -1.7936 -1.7936 -1.7840 -1.7840 -0.9716 -0.9716 -0.9334 -0.9334 -0.9273 -0.9273 6.6947 6.6947 7.8923 7.8923 7.8951 7.8951 8.7071 8.7071 9.3950 9.3950 9.5176 9.5176 9.8314 9.8314 10.2727 10.2727 10.4828 10.4828 10.5289 10.5289 10.7247 10.7247 11.2674 11.2674 11.3241 11.3241 11.3333 11.3333 11.4946 11.4946 11.7322 11.7322 12.0576 12.0576 13.3533 13.3533 13.4438 13.4438 17.4784 17.4784 17.6808 17.6808 k = 0.5000 0.5000 0.2765 ( 2492 PWs) bands (ev): -1.7944 -1.7944 -1.7853 -1.7853 -0.9754 -0.9754 -0.9313 -0.9313 -0.9282 -0.9282 6.6691 6.6691 7.9445 7.9445 7.9459 7.9459 8.6704 8.6704 9.4237 9.4237 9.5453 9.5453 9.8861 9.8861 10.2587 10.2587 10.4652 10.4652 10.5297 10.5297 10.7578 10.7578 11.2798 11.2798 11.3332 11.3332 11.3405 11.3405 11.5195 11.5195 11.7861 11.7861 12.0793 12.0793 13.3337 13.3337 13.4194 13.4194 17.3131 17.3131 17.4776 17.4776 k = 0.5000 0.5000 0.2904 ( 2492 PWs) bands (ev): -1.7954 -1.7954 -1.7867 -1.7867 -0.9792 -0.9792 -0.9293 -0.9293 -0.9292 -0.9292 6.6441 6.6441 7.9965 7.9965 7.9969 7.9969 8.6351 8.6351 9.4542 9.4542 9.5755 9.5755 9.9418 9.9418 10.2464 10.2464 10.4474 10.4474 10.5332 10.5332 10.7892 10.7892 11.2887 11.2887 11.3408 11.3408 11.3507 11.3507 11.5441 11.5441 11.8428 11.8428 12.1003 12.1003 13.3117 13.3117 13.3919 13.3919 17.1511 17.1511 17.2797 17.2797 k = 0.5000 0.5000 0.3042 ( 2492 PWs) bands (ev): -1.7963 -1.7963 -1.7882 -1.7882 -0.9831 -0.9831 -0.9303 -0.9303 -0.9270 -0.9270 6.6199 6.6199 8.0464 8.0464 8.0489 8.0489 8.6011 8.6011 9.4872 9.4872 9.6081 9.6081 9.9978 9.9978 10.2361 10.2361 10.4302 10.4302 10.5388 10.5388 10.8190 10.8190 11.2942 11.2942 11.3471 11.3471 11.3637 11.3637 11.5684 11.5684 11.9017 11.9017 12.1202 12.1202 13.2868 13.2868 13.3608 13.3608 16.9921 16.9921 17.0874 17.0874 k = 0.5000 0.5000 0.3180 ( 2508 PWs) bands (ev): -1.7974 -1.7974 -1.7897 -1.7897 -0.9870 -0.9870 -0.9314 -0.9314 -0.9248 -0.9248 6.5966 6.5966 8.0953 8.0953 8.1002 8.1002 8.5688 8.5688 9.5227 9.5227 9.6429 9.6429 10.0536 10.0536 10.2283 10.2283 10.4144 10.4144 10.5464 10.5464 10.8472 10.8472 11.2973 11.2973 11.3524 11.3524 11.3782 11.3782 11.5919 11.5919 11.9624 11.9624 12.1390 12.1390 13.2590 13.2590 13.3259 13.3259 16.8359 16.8359 16.9013 16.9013 k = 0.5000 0.5000 0.3318 ( 2516 PWs) bands (ev): -1.7985 -1.7985 -1.7912 -1.7912 -0.9908 -0.9908 -0.9323 -0.9323 -0.9225 -0.9225 6.5741 6.5741 8.1425 8.1425 8.1502 8.1502 8.5381 8.5381 9.5611 9.5611 9.6795 9.6795 10.1084 10.1084 10.2234 10.2234 10.4005 10.4005 10.5561 10.5561 10.8739 10.8739 11.2990 11.2990 11.3569 11.3569 11.3935 11.3935 11.6145 11.6145 12.0245 12.0245 12.1567 12.1567 13.2278 13.2278 13.2867 13.2867 16.6823 16.6823 16.7218 16.7218 k = 0.5000 0.5000 0.3457 ( 2516 PWs) bands (ev): -1.7995 -1.7995 -1.7926 -1.7926 -0.9946 -0.9946 -0.9332 -0.9332 -0.9203 -0.9203 6.5527 6.5527 8.1877 8.1877 8.1981 8.1981 8.5096 8.5096 9.6024 9.6024 9.7175 9.7175 10.1615 10.1615 10.2224 10.2224 10.3890 10.3890 10.5684 10.5684 10.8990 10.8990 11.2998 11.2998 11.3609 11.3609 11.4088 11.4088 11.6360 11.6360 12.0874 12.0874 12.1731 12.1731 13.1931 13.1931 13.2431 13.2431 16.5316 16.5316 16.5496 16.5496 k = 0.5000 0.5000 0.3595 ( 2508 PWs) bands (ev): -1.8005 -1.8005 -1.7939 -1.7939 -0.9982 -0.9982 -0.9341 -0.9341 -0.9178 -0.9178 6.5323 6.5323 8.2304 8.2304 8.2432 8.2432 8.4837 8.4837 9.6464 9.6464 9.7560 9.7560 10.2120 10.2120 10.2261 10.2261 10.3806 10.3806 10.5838 10.5838 10.9229 10.9229 11.2999 11.2999 11.3645 11.3645 11.4237 11.4237 11.6562 11.6562 12.1509 12.1509 12.1880 12.1880 13.1545 13.1545 13.1947 13.1947 16.3849 16.3849 16.3852 16.3852 k = 0.5000 0.5000 0.3733 ( 2504 PWs) bands (ev): -1.8015 -1.8015 -1.7952 -1.7952 -1.0017 -1.0017 -0.9349 -0.9349 -0.9156 -0.9156 6.5130 6.5130 8.2704 8.2704 8.2839 8.2839 8.4616 8.4616 9.6926 9.6926 9.7939 9.7939 10.2360 10.2360 10.2588 10.2588 10.3760 10.3760 10.6027 10.6027 10.9451 10.9451 11.2995 11.2995 11.3677 11.3677 11.4380 11.4380 11.6747 11.6747 12.2012 12.2012 12.2143 12.2143 13.1120 13.1120 13.1415 13.1415 16.2290 16.2290 16.2435 16.2435 k = 0.5000 0.5000 0.3872 ( 2508 PWs) bands (ev): -1.8026 -1.8026 -1.7965 -1.7965 -1.0051 -1.0051 -0.9357 -0.9357 -0.9134 -0.9134 6.4947 6.4947 8.3073 8.3073 8.3172 8.3172 8.4460 8.4460 9.7401 9.7401 9.8294 9.8294 10.2535 10.2535 10.3010 10.3010 10.3762 10.3762 10.6259 10.6259 10.9658 10.9658 11.2986 11.2986 11.3707 11.3707 11.4514 11.4514 11.6913 11.6913 12.2125 12.2125 12.2773 12.2773 13.0653 13.0653 13.0833 13.0833 16.0817 16.0817 16.1086 16.1086 k = 0.5000 0.5000 0.4010 ( 2512 PWs) bands (ev): -1.8036 -1.8036 -1.7978 -1.7978 -1.0084 -1.0084 -0.9364 -0.9364 -0.9112 -0.9112 6.4777 6.4777 8.3370 8.3370 8.3411 8.3411 8.4427 8.4427 9.7875 9.7875 9.8610 9.8610 10.2804 10.2804 10.3383 10.3383 10.3821 10.3821 10.6538 10.6538 10.9851 10.9851 11.2973 11.2973 11.3734 11.3734 11.4638 11.4638 11.7057 11.7057 12.2216 12.2216 12.3394 12.3394 13.0145 13.0145 13.0205 13.0205 15.9436 15.9436 15.9812 15.9812 k = 0.5000 0.5000 0.4148 ( 2512 PWs) bands (ev): -1.8046 -1.8046 -1.7989 -1.7989 -1.0115 -1.0115 -0.9371 -0.9371 -0.9091 -0.9091 6.4618 6.4618 8.3391 8.3391 8.3717 8.3717 8.4559 8.4559 9.8331 9.8331 9.8875 9.8875 10.3178 10.3178 10.3717 10.3717 10.3941 10.3941 10.6864 10.6864 11.0030 11.0030 11.2956 11.2956 11.3759 11.3759 11.4749 11.4749 11.7177 11.7177 12.2281 12.2281 12.4001 12.4001 12.9535 12.9535 12.9599 12.9599 15.8153 15.8153 15.8621 15.8621 k = 0.5000 0.5000 0.4286 ( 2512 PWs) bands (ev): -1.8056 -1.8056 -1.8001 -1.8001 -1.0144 -1.0144 -0.9378 -0.9378 -0.9071 -0.9071 6.4471 6.4471 8.3298 8.3298 8.3991 8.3991 8.4790 8.4790 9.8747 9.8747 9.9083 9.9083 10.3658 10.3658 10.4043 10.4043 10.4109 10.4109 10.7232 10.7232 11.0195 11.0195 11.2934 11.2934 11.3783 11.3783 11.4847 11.4847 11.7266 11.7266 12.2312 12.2312 12.4586 12.4586 12.8832 12.8832 12.9020 12.9020 15.6971 15.6971 15.7517 15.7517 k = 0.5000 0.5000 0.4425 ( 2512 PWs) bands (ev): -1.8065 -1.8065 -1.8011 -1.8011 -1.0171 -1.0171 -0.9384 -0.9384 -0.9053 -0.9053 6.4336 6.4336 8.3165 8.3165 8.4233 8.4233 8.5046 8.5046 9.9107 9.9107 9.9237 9.9237 10.4238 10.4238 10.4253 10.4253 10.4453 10.4453 10.7633 10.7633 11.0346 11.0346 11.2908 11.2908 11.3805 11.3805 11.4930 11.4930 11.7321 11.7321 12.2299 12.2299 12.5141 12.5141 12.8111 12.8111 12.8419 12.8419 15.5893 15.5893 15.6503 15.6503 k = 0.5000 0.5000 0.4563 ( 2512 PWs) bands (ev): -1.8074 -1.8074 -1.8020 -1.8020 -1.0196 -1.0196 -0.9390 -0.9390 -0.9035 -0.9035 6.4214 6.4214 8.3024 8.3024 8.4445 8.4445 8.5295 8.5295 9.9348 9.9348 9.9398 9.9398 10.4401 10.4401 10.4904 10.4904 10.4932 10.4932 10.8056 10.8056 11.0483 11.0483 11.2877 11.2877 11.3826 11.3826 11.4994 11.4994 11.7334 11.7334 12.2229 12.2229 12.5648 12.5648 12.7394 12.7394 12.7818 12.7818 15.4919 15.4919 15.5581 15.5581 k = 0.5000 0.5000 0.4701 ( 2516 PWs) bands (ev): -1.8082 -1.8082 -1.8029 -1.8029 -1.0218 -1.0218 -0.9395 -0.9395 -0.9020 -0.9020 6.4104 6.4104 8.2890 8.2890 8.4629 8.4629 8.5524 8.5524 9.9425 9.9425 9.9620 9.9620 10.4526 10.4526 10.5506 10.5506 10.5638 10.5638 10.8494 10.8494 11.0606 11.0606 11.2841 11.2841 11.3845 11.3845 11.5038 11.5038 11.7299 11.7299 12.2080 12.2080 12.6047 12.6047 12.6711 12.6711 12.7284 12.7284 15.4051 15.4051 15.4753 15.4753 k = 0.5000 0.5000 0.4839 ( 2520 PWs) bands (ev): -1.8090 -1.8090 -1.8037 -1.8037 -1.0239 -1.0239 -0.9399 -0.9399 -0.9005 -0.9005 6.4007 6.4007 8.2766 8.2766 8.4786 8.4786 8.5727 8.5727 9.9477 9.9477 9.9780 9.9780 10.4628 10.4628 10.6157 10.6157 10.6421 10.6421 10.8941 10.8941 11.0717 11.0717 11.2799 11.2799 11.3863 11.3863 11.5057 11.5057 11.7205 11.7205 12.1828 12.1828 12.6081 12.6081 12.6100 12.6100 12.7085 12.7085 15.3289 15.3289 15.4018 15.4018 k = 0.5000 0.5000 0.4978 ( 2520 PWs) bands (ev): -1.8096 -1.8096 -1.8044 -1.8044 -1.0257 -1.0257 -0.9403 -0.9403 -0.8992 -0.8992 6.3923 6.3923 8.2656 8.2656 8.4917 8.4917 8.5904 8.5904 9.9513 9.9513 9.9891 9.9891 10.4712 10.4712 10.6852 10.6852 10.7236 10.7236 10.9400 10.9400 11.0816 11.0816 11.2752 11.2752 11.3880 11.3880 11.5043 11.5043 11.7044 11.7044 12.1457 12.1457 12.5598 12.5598 12.5665 12.5665 12.7320 12.7320 15.2632 15.2632 15.3378 15.3378 k = 0.5000 0.5000 0.5116 ( 2536 PWs) bands (ev): -1.8103 -1.8103 -1.8051 -1.8051 -1.0274 -1.0274 -0.9407 -0.9407 -0.8982 -0.8982 6.3851 6.3851 8.2562 8.2562 8.5026 8.5026 8.6052 8.6052 9.9536 9.9536 9.9966 9.9966 10.4780 10.4780 10.7549 10.7549 10.8060 10.8060 10.9881 10.9881 11.0905 11.0905 11.2701 11.2701 11.3896 11.3896 11.4987 11.4987 11.6809 11.6809 12.0973 12.0973 12.5167 12.5167 12.5222 12.5222 12.7639 12.7639 15.2079 15.2079 15.2833 15.2833 k = 0.5000 0.5000 0.5254 ( 2512 PWs) bands (ev): -1.8106 -1.8106 -1.8054 -1.8054 -1.0284 -1.0284 -0.9408 -0.9408 -0.8971 -0.8971 6.3793 6.3793 8.2484 8.2484 8.5113 8.5113 8.6174 8.6174 9.9552 9.9552 10.0016 10.0016 10.4834 10.4834 10.8190 10.8190 10.8864 10.8864 11.0406 11.0406 11.0989 11.0989 11.2651 11.2651 11.3911 11.3911 11.4875 11.4875 11.6502 11.6502 12.0423 12.0423 12.4711 12.4711 12.4961 12.4961 12.7932 12.7932 15.1628 15.1628 15.2385 15.2385 k = 0.5000 0.5000 0.5392 ( 2512 PWs) bands (ev): -1.8110 -1.8110 -1.8058 -1.8058 -1.0294 -1.0294 -0.9411 -0.9411 -0.8964 -0.8964 6.3748 6.3748 8.2423 8.2423 8.5179 8.5179 8.6268 8.6268 9.9562 9.9562 10.0047 10.0047 10.4874 10.4874 10.8719 10.8719 10.9601 10.9601 11.0990 11.0990 11.1079 11.1079 11.2601 11.2601 11.3927 11.3927 11.4687 11.4687 11.6136 11.6136 11.9875 11.9875 12.4337 12.4337 12.4791 12.4791 12.8172 12.8172 15.1279 15.1279 15.2035 15.2035 k = 0.5000 0.5000 0.5531 ( 2512 PWs) bands (ev): -1.8112 -1.8112 -1.8061 -1.8061 -1.0301 -1.0301 -0.9412 -0.9412 -0.8958 -0.8958 6.3715 6.3715 8.2380 8.2380 8.5225 8.5225 8.6334 8.6334 9.9568 9.9568 10.0065 10.0065 10.4902 10.4902 10.9099 10.9099 11.0190 11.0190 11.1200 11.1200 11.1617 11.1617 11.2559 11.2559 11.3945 11.3945 11.4408 11.4408 11.5752 11.5752 11.9409 11.9409 12.4062 12.4062 12.4688 12.4688 12.8350 12.8350 15.1030 15.1030 15.1784 15.1784 k = 0.5000 0.5000 0.5669 ( 2512 PWs) bands (ev): -1.8114 -1.8114 -1.8062 -1.8062 -1.0305 -1.0305 -0.9413 -0.9413 -0.8955 -0.8955 6.3696 6.3696 8.2353 8.2353 8.5253 8.5253 8.6374 8.6374 9.9571 9.9571 10.0075 10.0075 10.4919 10.4919 10.9323 10.9323 11.0532 11.0532 11.1367 11.1367 11.2196 11.2196 11.2533 11.2533 11.3965 11.3965 11.4068 11.4068 11.5433 11.5433 11.9099 11.9099 12.3896 12.3896 12.4633 12.4633 12.8459 12.8459 15.0881 15.0881 15.1632 15.1632 k = 0.5000 0.5000 0.5807 ( 2520 PWs) bands (ev): -1.8115 -1.8115 -1.8063 -1.8063 -1.0307 -1.0307 -0.9413 -0.9413 -0.8956 -0.8956 6.3689 6.3689 8.2344 8.2344 8.5262 8.5262 8.6387 8.6387 9.9572 9.9572 10.0078 10.0078 10.4924 10.4924 10.9397 10.9397 11.0628 11.0628 11.1459 11.1459 11.2458 11.2458 11.2549 11.2549 11.3868 11.3868 11.3975 11.3975 11.5303 11.5303 11.8990 11.8990 12.3840 12.3840 12.4615 12.4615 12.8495 12.8495 15.0831 15.0831 15.1582 15.1582 Writing output data file InCuPt2.save init_run : 0.49s CPU 0.71s WALL ( 1 calls) electrons : 170.03s CPU 173.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 170.01s CPU 173.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 387 calls) cegterg : 158.97s CPU 161.89s WALL ( 777 calls) Called by sum_band: Called by *egterg: h_psi : 70.38s CPU 72.21s WALL ( 12772 calls) s_psi : 6.88s CPU 6.96s WALL ( 12772 calls) g_psi : 0.25s CPU 0.21s WALL ( 11608 calls) cdiaghg : 73.42s CPU 74.41s WALL ( 11995 calls) cegterg:over : 6.14s CPU 6.11s WALL ( 11608 calls) cegterg:upda : 4.03s CPU 4.20s WALL ( 11608 calls) cegterg:last : 2.82s CPU 2.87s WALL ( 1938 calls) cdiaghg:chol : 4.16s CPU 4.00s WALL ( 11995 calls) cdiaghg:inve : 2.45s CPU 2.63s WALL ( 11995 calls) cdiaghg:para : 4.38s CPU 4.34s WALL ( 23990 calls) Called by h_psi: h_psi:vloc : 56.13s CPU 57.75s WALL ( 12772 calls) h_psi:vnl : 14.01s CPU 14.24s WALL ( 12772 calls) add_vuspsi : 7.50s CPU 7.70s WALL ( 12772 calls) General routines calbec : 6.48s CPU 6.51s WALL ( 12772 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.08s CPU 51.78s WALL ( 1173780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.18s WALL ( 774 calls) Parallel routines fft_scatter : 26.02s CPU 27.08s WALL ( 1173803 calls) PWSCF : 3m 6.14s CPU 3m31.03s WALL This run was terminated on: 17:49:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=