Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:22 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: ./NbO2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 58 34 10 1250 560 94 Max 59 35 11 1253 577 97 Sum 2093 1237 377 45053 20573 3461 bravais-lattice index = 14 lattice parameter (alat) = 9.0329 a.u. unit-cell volume = 457.9402 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.032890 celldm(2)= 1.000000 celldm(3)= 0.621339 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 0.621339 ) 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 1.609428 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 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 O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3106695 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3106695 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3106695 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3106695 ) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3106695 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3106695 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3106695 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3106695 ) 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= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0025381 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0025381 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0025381 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0025381 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0025381 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0025381 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0025381 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0025381 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0025381 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0025381 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025381 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0025381 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0025381 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0025381 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0025381 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0025381 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0025381 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0025381 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0025381 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0025381 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0025381 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025381 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0025381 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0025381 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0025381 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0025381 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0025381 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0025381 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0025381 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0025381 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0025381 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0025381 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0025381 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0025381 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0025381 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0025381 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0025381 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0025381 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0025381 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0025381 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0025381 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0025381 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0025381 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0025381 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0025381 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0025381 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0025381 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0025381 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0025381 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0025381 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0025381 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0025381 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0025381 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0025381 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0025381 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0025381 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0025381 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0025381 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0025381 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0025381 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0025381 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0025381 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0025381 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0025381 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0025381 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0025381 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0025381 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0025381 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0025381 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0025381 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0025381 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0025381 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0025381 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0025381 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0025381 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0025381 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0025381 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0025381 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 118) = ( 0.0000000 0.0000000 0.0151833), wk = 0.0025381 k( 119) = ( 0.0000000 0.0000000 0.0303666), wk = 0.0025381 k( 120) = ( 0.0000000 0.0000000 0.0455498), wk = 0.0025381 k( 121) = ( 0.0000000 0.0000000 0.0607331), wk = 0.0025381 k( 122) = ( 0.0000000 0.0000000 0.0759164), wk = 0.0025381 k( 123) = ( 0.0000000 0.0000000 0.0910997), wk = 0.0025381 k( 124) = ( 0.0000000 0.0000000 0.1062830), wk = 0.0025381 k( 125) = ( 0.0000000 0.0000000 0.1214662), wk = 0.0025381 k( 126) = ( 0.0000000 0.0000000 0.1366495), wk = 0.0025381 k( 127) = ( 0.0000000 0.0000000 0.1518328), wk = 0.0025381 k( 128) = ( 0.0000000 0.0000000 0.1670161), wk = 0.0025381 k( 129) = ( 0.0000000 0.0000000 0.1821994), wk = 0.0025381 k( 130) = ( 0.0000000 0.0000000 0.1973826), wk = 0.0025381 k( 131) = ( 0.0000000 0.0000000 0.2125659), wk = 0.0025381 k( 132) = ( 0.0000000 0.0000000 0.2277492), wk = 0.0025381 k( 133) = ( 0.0000000 0.0000000 0.2429325), wk = 0.0025381 k( 134) = ( 0.0000000 0.0000000 0.2581158), wk = 0.0025381 k( 135) = ( 0.0000000 0.0000000 0.2732990), wk = 0.0025381 k( 136) = ( 0.0000000 0.0000000 0.2884823), wk = 0.0025381 k( 137) = ( 0.0000000 0.0000000 0.3036656), wk = 0.0025381 k( 138) = ( 0.0000000 0.0000000 0.3188489), wk = 0.0025381 k( 139) = ( 0.0000000 0.0000000 0.3340321), wk = 0.0025381 k( 140) = ( 0.0000000 0.0000000 0.3492154), wk = 0.0025381 k( 141) = ( 0.0000000 0.0000000 0.3643987), wk = 0.0025381 k( 142) = ( 0.0000000 0.0000000 0.3795820), wk = 0.0025381 k( 143) = ( 0.0000000 0.0000000 0.3947653), wk = 0.0025381 k( 144) = ( 0.0000000 0.0000000 0.4099485), wk = 0.0025381 k( 145) = ( 0.0000000 0.0000000 0.4251318), wk = 0.0025381 k( 146) = ( 0.0000000 0.0000000 0.4403151), wk = 0.0025381 k( 147) = ( 0.0000000 0.0000000 0.4554984), wk = 0.0025381 k( 148) = ( 0.0000000 0.0000000 0.4706817), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.4858649), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.5010482), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.5162315), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.5314148), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.5465981), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.5617813), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.5769646), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.5921479), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.6073312), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.6225144), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.6376977), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.6528810), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.6680643), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.6832476), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.6984308), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.7136141), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.7287974), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.7439807), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.7591640), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.7743473), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.7895305), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.8047138), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.8047138), wk = 0.0025381 k( 172) = ( 0.0000000 0.0151515 0.8047138), wk = 0.0025381 k( 173) = ( 0.0000000 0.0303030 0.8047138), wk = 0.0025381 k( 174) = ( 0.0000000 0.0454546 0.8047138), wk = 0.0025381 k( 175) = ( 0.0000000 0.0606061 0.8047138), wk = 0.0025381 k( 176) = ( 0.0000000 0.0757576 0.8047138), wk = 0.0025381 k( 177) = ( 0.0000000 0.0909091 0.8047138), wk = 0.0025381 k( 178) = ( 0.0000000 0.1060606 0.8047138), wk = 0.0025381 k( 179) = ( 0.0000000 0.1212121 0.8047138), wk = 0.0025381 k( 180) = ( 0.0000000 0.1363636 0.8047138), wk = 0.0025381 k( 181) = ( 0.0000000 0.1515151 0.8047138), wk = 0.0025381 k( 182) = ( 0.0000000 0.1666667 0.8047138), wk = 0.0025381 k( 183) = ( 0.0000000 0.1818182 0.8047138), wk = 0.0025381 k( 184) = ( 0.0000000 0.1969697 0.8047138), wk = 0.0025381 k( 185) = ( 0.0000000 0.2121212 0.8047138), wk = 0.0025381 k( 186) = ( 0.0000000 0.2272727 0.8047138), wk = 0.0025381 k( 187) = ( 0.0000000 0.2424242 0.8047138), wk = 0.0025381 k( 188) = ( 0.0000000 0.2575758 0.8047138), wk = 0.0025381 k( 189) = ( 0.0000000 0.2727273 0.8047138), wk = 0.0025381 k( 190) = ( 0.0000000 0.2878788 0.8047138), wk = 0.0025381 k( 191) = ( 0.0000000 0.3030303 0.8047138), wk = 0.0025381 k( 192) = ( 0.0000000 0.3181818 0.8047138), wk = 0.0025381 k( 193) = ( 0.0000000 0.3333333 0.8047138), wk = 0.0025381 k( 194) = ( 0.0000000 0.3484849 0.8047138), wk = 0.0025381 k( 195) = ( 0.0000000 0.3636364 0.8047138), wk = 0.0025381 k( 196) = ( 0.0000000 0.3787879 0.8047138), wk = 0.0025381 k( 197) = ( 0.0000000 0.3939394 0.8047138), wk = 0.0025381 k( 198) = ( 0.0000000 0.4090909 0.8047138), wk = 0.0025381 k( 199) = ( 0.0000000 0.4242424 0.8047138), wk = 0.0025381 k( 200) = ( 0.0000000 0.4393939 0.8047138), wk = 0.0025381 k( 201) = ( 0.0000000 0.4545455 0.8047138), wk = 0.0025381 k( 202) = ( 0.0000000 0.4696970 0.8047138), wk = 0.0025381 k( 203) = ( 0.0000000 0.4848485 0.8047138), wk = 0.0025381 k( 204) = ( 0.0000000 0.5000000 0.8047138), wk = 0.0025381 k( 205) = ( 0.0000000 0.5000000 0.8047138), wk = 0.0025381 k( 206) = ( 0.0151515 0.5000000 0.8047138), wk = 0.0025381 k( 207) = ( 0.0303030 0.5000000 0.8047138), wk = 0.0025381 k( 208) = ( 0.0454546 0.5000000 0.8047138), wk = 0.0025381 k( 209) = ( 0.0606061 0.5000000 0.8047138), wk = 0.0025381 k( 210) = ( 0.0757576 0.5000000 0.8047138), wk = 0.0025381 k( 211) = ( 0.0909091 0.5000000 0.8047138), wk = 0.0025381 k( 212) = ( 0.1060606 0.5000000 0.8047138), wk = 0.0025381 k( 213) = ( 0.1212121 0.5000000 0.8047138), wk = 0.0025381 k( 214) = ( 0.1363636 0.5000000 0.8047138), wk = 0.0025381 k( 215) = ( 0.1515151 0.5000000 0.8047138), wk = 0.0025381 k( 216) = ( 0.1666667 0.5000000 0.8047138), wk = 0.0025381 k( 217) = ( 0.1818182 0.5000000 0.8047138), wk = 0.0025381 k( 218) = ( 0.1969697 0.5000000 0.8047138), wk = 0.0025381 k( 219) = ( 0.2121212 0.5000000 0.8047138), wk = 0.0025381 k( 220) = ( 0.2272727 0.5000000 0.8047138), wk = 0.0025381 k( 221) = ( 0.2424242 0.5000000 0.8047138), wk = 0.0025381 k( 222) = ( 0.2575758 0.5000000 0.8047138), wk = 0.0025381 k( 223) = ( 0.2727273 0.5000000 0.8047138), wk = 0.0025381 k( 224) = ( 0.2878788 0.5000000 0.8047138), wk = 0.0025381 k( 225) = ( 0.3030303 0.5000000 0.8047138), wk = 0.0025381 k( 226) = ( 0.3181818 0.5000000 0.8047138), wk = 0.0025381 k( 227) = ( 0.3333333 0.5000000 0.8047138), wk = 0.0025381 k( 228) = ( 0.3484849 0.5000000 0.8047138), wk = 0.0025381 k( 229) = ( 0.3636364 0.5000000 0.8047138), wk = 0.0025381 k( 230) = ( 0.3787879 0.5000000 0.8047138), wk = 0.0025381 k( 231) = ( 0.3939394 0.5000000 0.8047138), wk = 0.0025381 k( 232) = ( 0.4090909 0.5000000 0.8047138), wk = 0.0025381 k( 233) = ( 0.4242424 0.5000000 0.8047138), wk = 0.0025381 k( 234) = ( 0.4393939 0.5000000 0.8047138), wk = 0.0025381 k( 235) = ( 0.4545455 0.5000000 0.8047138), wk = 0.0025381 k( 236) = ( 0.4696970 0.5000000 0.8047138), wk = 0.0025381 k( 237) = ( 0.4848485 0.5000000 0.8047138), wk = 0.0025381 k( 238) = ( 0.5000000 0.5000000 0.8047138), wk = 0.0025381 k( 239) = ( 0.5000000 0.5000000 0.8047138), wk = 0.0025381 k( 240) = ( 0.4893617 0.4893617 0.8047138), wk = 0.0025381 k( 241) = ( 0.4787234 0.4787234 0.8047138), wk = 0.0025381 k( 242) = ( 0.4680851 0.4680851 0.8047138), wk = 0.0025381 k( 243) = ( 0.4574468 0.4574468 0.8047138), wk = 0.0025381 k( 244) = ( 0.4468085 0.4468085 0.8047138), wk = 0.0025381 k( 245) = ( 0.4361702 0.4361702 0.8047138), wk = 0.0025381 k( 246) = ( 0.4255319 0.4255319 0.8047138), wk = 0.0025381 k( 247) = ( 0.4148936 0.4148936 0.8047138), wk = 0.0025381 k( 248) = ( 0.4042553 0.4042553 0.8047138), wk = 0.0025381 k( 249) = ( 0.3936170 0.3936170 0.8047138), wk = 0.0025381 k( 250) = ( 0.3829787 0.3829787 0.8047138), wk = 0.0025381 k( 251) = ( 0.3723404 0.3723404 0.8047138), wk = 0.0025381 k( 252) = ( 0.3617021 0.3617021 0.8047138), wk = 0.0025381 k( 253) = ( 0.3510638 0.3510638 0.8047138), wk = 0.0025381 k( 254) = ( 0.3404255 0.3404255 0.8047138), wk = 0.0025381 k( 255) = ( 0.3297872 0.3297872 0.8047138), wk = 0.0025381 k( 256) = ( 0.3191489 0.3191489 0.8047138), wk = 0.0025381 k( 257) = ( 0.3085106 0.3085106 0.8047138), wk = 0.0025381 k( 258) = ( 0.2978723 0.2978723 0.8047138), wk = 0.0025381 k( 259) = ( 0.2872340 0.2872340 0.8047138), wk = 0.0025381 k( 260) = ( 0.2765957 0.2765957 0.8047138), wk = 0.0025381 k( 261) = ( 0.2659574 0.2659574 0.8047138), wk = 0.0025381 k( 262) = ( 0.2553191 0.2553191 0.8047138), wk = 0.0025381 k( 263) = ( 0.2446809 0.2446808 0.8047138), wk = 0.0025381 k( 264) = ( 0.2340425 0.2340425 0.8047138), wk = 0.0025381 k( 265) = ( 0.2234043 0.2234043 0.8047138), wk = 0.0025381 k( 266) = ( 0.2127660 0.2127660 0.8047138), wk = 0.0025381 k( 267) = ( 0.2021277 0.2021277 0.8047138), wk = 0.0025381 k( 268) = ( 0.1914894 0.1914894 0.8047138), wk = 0.0025381 k( 269) = ( 0.1808511 0.1808511 0.8047138), wk = 0.0025381 k( 270) = ( 0.1702128 0.1702128 0.8047138), wk = 0.0025381 k( 271) = ( 0.1595745 0.1595745 0.8047138), wk = 0.0025381 k( 272) = ( 0.1489362 0.1489362 0.8047138), wk = 0.0025381 k( 273) = ( 0.1382979 0.1382979 0.8047138), wk = 0.0025381 k( 274) = ( 0.1276596 0.1276596 0.8047138), wk = 0.0025381 k( 275) = ( 0.1170213 0.1170213 0.8047138), wk = 0.0025381 k( 276) = ( 0.1063830 0.1063830 0.8047138), wk = 0.0025381 k( 277) = ( 0.0957447 0.0957447 0.8047138), wk = 0.0025381 k( 278) = ( 0.0851064 0.0851064 0.8047138), wk = 0.0025381 k( 279) = ( 0.0744681 0.0744681 0.8047138), wk = 0.0025381 k( 280) = ( 0.0638298 0.0638298 0.8047138), wk = 0.0025381 k( 281) = ( 0.0531915 0.0531915 0.8047138), wk = 0.0025381 k( 282) = ( 0.0425532 0.0425532 0.8047138), wk = 0.0025381 k( 283) = ( 0.0319149 0.0319149 0.8047138), wk = 0.0025381 k( 284) = ( 0.0212766 0.0212766 0.8047138), wk = 0.0025381 k( 285) = ( 0.0106383 0.0106383 0.8047138), wk = 0.0025381 k( 286) = ( 0.0000000 0.0000000 0.8047138), wk = 0.0025381 k( 287) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 288) = ( 0.0000000 0.5000000 0.0151833), wk = 0.0025381 k( 289) = ( 0.0000000 0.5000000 0.0303666), wk = 0.0025381 k( 290) = ( 0.0000000 0.5000000 0.0455498), wk = 0.0025381 k( 291) = ( 0.0000000 0.5000000 0.0607331), wk = 0.0025381 k( 292) = ( 0.0000000 0.5000000 0.0759164), wk = 0.0025381 k( 293) = ( 0.0000000 0.5000000 0.0910997), wk = 0.0025381 k( 294) = ( 0.0000000 0.5000000 0.1062830), wk = 0.0025381 k( 295) = ( 0.0000000 0.5000000 0.1214662), wk = 0.0025381 k( 296) = ( 0.0000000 0.5000000 0.1366495), wk = 0.0025381 k( 297) = ( 0.0000000 0.5000000 0.1518328), wk = 0.0025381 k( 298) = ( 0.0000000 0.5000000 0.1670161), wk = 0.0025381 k( 299) = ( 0.0000000 0.5000000 0.1821994), wk = 0.0025381 k( 300) = ( 0.0000000 0.5000000 0.1973826), wk = 0.0025381 k( 301) = ( 0.0000000 0.5000000 0.2125659), wk = 0.0025381 k( 302) = ( 0.0000000 0.5000000 0.2277492), wk = 0.0025381 k( 303) = ( 0.0000000 0.5000000 0.2429325), wk = 0.0025381 k( 304) = ( 0.0000000 0.5000000 0.2581158), wk = 0.0025381 k( 305) = ( 0.0000000 0.5000000 0.2732990), wk = 0.0025381 k( 306) = ( 0.0000000 0.5000000 0.2884823), wk = 0.0025381 k( 307) = ( 0.0000000 0.5000000 0.3036656), wk = 0.0025381 k( 308) = ( 0.0000000 0.5000000 0.3188489), wk = 0.0025381 k( 309) = ( 0.0000000 0.5000000 0.3340321), wk = 0.0025381 k( 310) = ( 0.0000000 0.5000000 0.3492154), wk = 0.0025381 k( 311) = ( 0.0000000 0.5000000 0.3643987), wk = 0.0025381 k( 312) = ( 0.0000000 0.5000000 0.3795820), wk = 0.0025381 k( 313) = ( 0.0000000 0.5000000 0.3947653), wk = 0.0025381 k( 314) = ( 0.0000000 0.5000000 0.4099485), wk = 0.0025381 k( 315) = ( 0.0000000 0.5000000 0.4251318), wk = 0.0025381 k( 316) = ( 0.0000000 0.5000000 0.4403151), wk = 0.0025381 k( 317) = ( 0.0000000 0.5000000 0.4554984), wk = 0.0025381 k( 318) = ( 0.0000000 0.5000000 0.4706817), wk = 0.0025381 k( 319) = ( 0.0000000 0.5000000 0.4858649), wk = 0.0025381 k( 320) = ( 0.0000000 0.5000000 0.5010482), wk = 0.0025381 k( 321) = ( 0.0000000 0.5000000 0.5162315), wk = 0.0025381 k( 322) = ( 0.0000000 0.5000000 0.5314148), wk = 0.0025381 k( 323) = ( 0.0000000 0.5000000 0.5465981), wk = 0.0025381 k( 324) = ( 0.0000000 0.5000000 0.5617813), wk = 0.0025381 k( 325) = ( 0.0000000 0.5000000 0.5769646), wk = 0.0025381 k( 326) = ( 0.0000000 0.5000000 0.5921479), wk = 0.0025381 k( 327) = ( 0.0000000 0.5000000 0.6073312), wk = 0.0025381 k( 328) = ( 0.0000000 0.5000000 0.6225144), wk = 0.0025381 k( 329) = ( 0.0000000 0.5000000 0.6376977), wk = 0.0025381 k( 330) = ( 0.0000000 0.5000000 0.6528810), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 0.6680643), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.6832476), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.6984308), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.7136141), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.7287974), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.7439807), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.7591640), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.7743473), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.7895305), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.8047138), wk = 0.0025381 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 342) = ( 0.5000000 0.5000000 0.0151833), wk = 0.0025381 k( 343) = ( 0.5000000 0.5000000 0.0303666), wk = 0.0025381 k( 344) = ( 0.5000000 0.5000000 0.0455498), wk = 0.0025381 k( 345) = ( 0.5000000 0.5000000 0.0607331), wk = 0.0025381 k( 346) = ( 0.5000000 0.5000000 0.0759164), wk = 0.0025381 k( 347) = ( 0.5000000 0.5000000 0.0910997), wk = 0.0025381 k( 348) = ( 0.5000000 0.5000000 0.1062830), wk = 0.0025381 k( 349) = ( 0.5000000 0.5000000 0.1214662), wk = 0.0025381 k( 350) = ( 0.5000000 0.5000000 0.1366495), wk = 0.0025381 k( 351) = ( 0.5000000 0.5000000 0.1518328), wk = 0.0025381 k( 352) = ( 0.5000000 0.5000000 0.1670161), wk = 0.0025381 k( 353) = ( 0.5000000 0.5000000 0.1821994), wk = 0.0025381 k( 354) = ( 0.5000000 0.5000000 0.1973826), wk = 0.0025381 k( 355) = ( 0.5000000 0.5000000 0.2125659), wk = 0.0025381 k( 356) = ( 0.5000000 0.5000000 0.2277492), wk = 0.0025381 k( 357) = ( 0.5000000 0.5000000 0.2429325), wk = 0.0025381 k( 358) = ( 0.5000000 0.5000000 0.2581158), wk = 0.0025381 k( 359) = ( 0.5000000 0.5000000 0.2732990), wk = 0.0025381 k( 360) = ( 0.5000000 0.5000000 0.2884823), wk = 0.0025381 k( 361) = ( 0.5000000 0.5000000 0.3036656), wk = 0.0025381 k( 362) = ( 0.5000000 0.5000000 0.3188489), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 0.3340321), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.3492154), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.3643987), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.3795820), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.3947653), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.4099485), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.4251318), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.4403151), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.4554984), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.4706817), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.4858649), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.5010482), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.5162315), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.5314148), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.5465981), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.5617813), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.5769646), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.5921479), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.6073312), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.6225144), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.6376977), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.6528810), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.6680643), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.6832476), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.6984308), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.7136141), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.7287974), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.7439807), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.7591640), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.7743473), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.7895305), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.8047138), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0025381 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0025381 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0025381 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0025381 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0025381 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0025381 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0025381 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0025381 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0025381 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0025381 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0025381 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025381 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0025381 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0025381 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0025381 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0025381 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0025381 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0025381 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0025381 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0025381 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025381 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0025381 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0025381 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0025381 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0025381 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0025381 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025381 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0025381 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0025381 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0025381 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0025381 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0025381 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0025381 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0025381 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0025381 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0025381 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0025381 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0025381 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0025381 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0025381 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0025381 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0025381 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0025381 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0025381 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0025381 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0025381 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0025381 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0025381 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0025381 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0025381 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0025381 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0025381 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0025381 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0025381 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0025381 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0025381 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0025381 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0025381 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0025381 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0025381 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0025381 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0025381 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0025381 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0025381 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0025381 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0025381 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0025381 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0025381 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0025381 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0025381 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0025381 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0025381 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0025381 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0025381 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0025381 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0025381 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0025381 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0025381 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 118) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0025381 k( 119) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0025381 k( 120) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0025381 k( 121) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0025381 k( 122) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0025381 k( 123) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0025381 k( 124) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0025381 k( 125) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0025381 k( 126) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0025381 k( 127) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0025381 k( 128) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0025381 k( 129) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0025381 k( 130) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0025381 k( 131) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0025381 k( 132) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0025381 k( 133) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0025381 k( 134) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0025381 k( 135) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0025381 k( 136) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0025381 k( 137) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0025381 k( 138) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0025381 k( 139) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0025381 k( 140) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0025381 k( 141) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0025381 k( 142) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0025381 k( 143) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0025381 k( 144) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0025381 k( 145) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0025381 k( 146) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0025381 k( 147) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0025381 k( 148) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.3113208), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 172) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0025381 k( 173) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0025381 k( 174) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0025381 k( 175) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0025381 k( 176) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0025381 k( 177) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0025381 k( 178) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0025381 k( 179) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0025381 k( 180) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0025381 k( 181) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0025381 k( 182) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025381 k( 183) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0025381 k( 184) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0025381 k( 185) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0025381 k( 186) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0025381 k( 187) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0025381 k( 188) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0025381 k( 189) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0025381 k( 190) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0025381 k( 191) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0025381 k( 192) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0025381 k( 193) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025381 k( 194) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0025381 k( 196) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0025381 k( 197) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0025381 k( 198) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0025381 k( 199) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0025381 k( 200) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0025381 k( 201) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0025381 k( 202) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0025381 k( 203) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0025381 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 206) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0025381 k( 207) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0025381 k( 208) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025381 k( 209) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0025381 k( 210) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0025381 k( 211) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025381 k( 212) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0025381 k( 213) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0025381 k( 214) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025381 k( 215) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0025381 k( 216) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025381 k( 217) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025381 k( 218) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0025381 k( 219) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0025381 k( 220) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025381 k( 221) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0025381 k( 222) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0025381 k( 223) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025381 k( 224) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0025381 k( 225) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0025381 k( 226) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025381 k( 227) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025381 k( 228) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0025381 k( 229) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025381 k( 230) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0025381 k( 231) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0025381 k( 232) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025381 k( 233) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0025381 k( 234) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0025381 k( 235) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025381 k( 236) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0025381 k( 237) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0025381 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 240) = ( 0.4893617 0.4893617 0.5000000), wk = 0.0025381 k( 241) = ( 0.4787234 0.4787234 0.5000000), wk = 0.0025381 k( 242) = ( 0.4680851 0.4680851 0.5000000), wk = 0.0025381 k( 243) = ( 0.4574468 0.4574468 0.5000000), wk = 0.0025381 k( 244) = ( 0.4468085 0.4468085 0.5000000), wk = 0.0025381 k( 245) = ( 0.4361702 0.4361702 0.5000000), wk = 0.0025381 k( 246) = ( 0.4255319 0.4255319 0.5000000), wk = 0.0025381 k( 247) = ( 0.4148936 0.4148936 0.5000000), wk = 0.0025381 k( 248) = ( 0.4042553 0.4042553 0.5000000), wk = 0.0025381 k( 249) = ( 0.3936170 0.3936170 0.5000000), wk = 0.0025381 k( 250) = ( 0.3829787 0.3829787 0.5000000), wk = 0.0025381 k( 251) = ( 0.3723404 0.3723404 0.5000000), wk = 0.0025381 k( 252) = ( 0.3617021 0.3617021 0.5000000), wk = 0.0025381 k( 253) = ( 0.3510638 0.3510638 0.5000000), wk = 0.0025381 k( 254) = ( 0.3404255 0.3404255 0.5000000), wk = 0.0025381 k( 255) = ( 0.3297872 0.3297872 0.5000000), wk = 0.0025381 k( 256) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0025381 k( 257) = ( 0.3085106 0.3085106 0.5000000), wk = 0.0025381 k( 258) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0025381 k( 259) = ( 0.2872340 0.2872340 0.5000000), wk = 0.0025381 k( 260) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0025381 k( 261) = ( 0.2659574 0.2659574 0.5000000), wk = 0.0025381 k( 262) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0025381 k( 263) = ( 0.2446809 0.2446809 0.5000000), wk = 0.0025381 k( 264) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0025381 k( 265) = ( 0.2234043 0.2234043 0.5000000), wk = 0.0025381 k( 266) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0025381 k( 267) = ( 0.2021277 0.2021277 0.5000000), wk = 0.0025381 k( 268) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0025381 k( 269) = ( 0.1808511 0.1808511 0.5000000), wk = 0.0025381 k( 270) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0025381 k( 271) = ( 0.1595745 0.1595745 0.5000000), wk = 0.0025381 k( 272) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0025381 k( 273) = ( 0.1382979 0.1382979 0.5000000), wk = 0.0025381 k( 274) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0025381 k( 275) = ( 0.1170213 0.1170213 0.5000000), wk = 0.0025381 k( 276) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0025381 k( 277) = ( 0.0957447 0.0957447 0.5000000), wk = 0.0025381 k( 278) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0025381 k( 279) = ( 0.0744681 0.0744681 0.5000000), wk = 0.0025381 k( 280) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0025381 k( 281) = ( 0.0531915 0.0531915 0.5000000), wk = 0.0025381 k( 282) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0025381 k( 283) = ( 0.0319149 0.0319149 0.5000000), wk = 0.0025381 k( 284) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0025381 k( 285) = ( 0.0106383 0.0106383 0.5000000), wk = 0.0025381 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 287) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 288) = ( 0.0000000 0.5000000 0.0094340), wk = 0.0025381 k( 289) = ( 0.0000000 0.5000000 0.0188679), wk = 0.0025381 k( 290) = ( 0.0000000 0.5000000 0.0283019), wk = 0.0025381 k( 291) = ( 0.0000000 0.5000000 0.0377359), wk = 0.0025381 k( 292) = ( 0.0000000 0.5000000 0.0471698), wk = 0.0025381 k( 293) = ( 0.0000000 0.5000000 0.0566038), wk = 0.0025381 k( 294) = ( 0.0000000 0.5000000 0.0660377), wk = 0.0025381 k( 295) = ( 0.0000000 0.5000000 0.0754717), wk = 0.0025381 k( 296) = ( 0.0000000 0.5000000 0.0849057), wk = 0.0025381 k( 297) = ( 0.0000000 0.5000000 0.0943396), wk = 0.0025381 k( 298) = ( 0.0000000 0.5000000 0.1037736), wk = 0.0025381 k( 299) = ( 0.0000000 0.5000000 0.1132076), wk = 0.0025381 k( 300) = ( 0.0000000 0.5000000 0.1226415), wk = 0.0025381 k( 301) = ( 0.0000000 0.5000000 0.1320755), wk = 0.0025381 k( 302) = ( 0.0000000 0.5000000 0.1415094), wk = 0.0025381 k( 303) = ( 0.0000000 0.5000000 0.1509434), wk = 0.0025381 k( 304) = ( 0.0000000 0.5000000 0.1603774), wk = 0.0025381 k( 305) = ( 0.0000000 0.5000000 0.1698113), wk = 0.0025381 k( 306) = ( 0.0000000 0.5000000 0.1792453), wk = 0.0025381 k( 307) = ( 0.0000000 0.5000000 0.1886792), wk = 0.0025381 k( 308) = ( 0.0000000 0.5000000 0.1981132), wk = 0.0025381 k( 309) = ( 0.0000000 0.5000000 0.2075472), wk = 0.0025381 k( 310) = ( 0.0000000 0.5000000 0.2169811), wk = 0.0025381 k( 311) = ( 0.0000000 0.5000000 0.2264151), wk = 0.0025381 k( 312) = ( 0.0000000 0.5000000 0.2358491), wk = 0.0025381 k( 313) = ( 0.0000000 0.5000000 0.2452830), wk = 0.0025381 k( 314) = ( 0.0000000 0.5000000 0.2547170), wk = 0.0025381 k( 315) = ( 0.0000000 0.5000000 0.2641509), wk = 0.0025381 k( 316) = ( 0.0000000 0.5000000 0.2735849), wk = 0.0025381 k( 317) = ( 0.0000000 0.5000000 0.2830189), wk = 0.0025381 k( 318) = ( 0.0000000 0.5000000 0.2924528), wk = 0.0025381 k( 319) = ( 0.0000000 0.5000000 0.3018868), wk = 0.0025381 k( 320) = ( 0.0000000 0.5000000 0.3113207), wk = 0.0025381 k( 321) = ( 0.0000000 0.5000000 0.3207547), wk = 0.0025381 k( 322) = ( 0.0000000 0.5000000 0.3301887), wk = 0.0025381 k( 323) = ( 0.0000000 0.5000000 0.3396226), wk = 0.0025381 k( 324) = ( 0.0000000 0.5000000 0.3490566), wk = 0.0025381 k( 325) = ( 0.0000000 0.5000000 0.3584906), wk = 0.0025381 k( 326) = ( 0.0000000 0.5000000 0.3679245), wk = 0.0025381 k( 327) = ( 0.0000000 0.5000000 0.3773585), wk = 0.0025381 k( 328) = ( 0.0000000 0.5000000 0.3867925), wk = 0.0025381 k( 329) = ( 0.0000000 0.5000000 0.3962264), wk = 0.0025381 k( 330) = ( 0.0000000 0.5000000 0.4056604), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 0.4150943), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.4245283), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.4339623), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.4433962), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.4528302), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.4622641), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.4716981), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.4811321), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.4905660), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 341) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 342) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0025381 k( 343) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0025381 k( 344) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0025381 k( 345) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0025381 k( 346) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0025381 k( 347) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0025381 k( 348) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0025381 k( 349) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0025381 k( 350) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0025381 k( 351) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0025381 k( 352) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0025381 k( 353) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0025381 k( 354) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0025381 k( 355) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0025381 k( 356) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0025381 k( 357) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0025381 k( 358) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0025381 k( 359) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0025381 k( 360) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0025381 k( 361) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0025381 k( 362) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.3113208), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 Dense grid: 45053 G-vectors FFT dimensions: ( 54, 54, 36) Smooth grid: 20573 G-vectors FFT dimensions: ( 40, 40, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 140, 60) NL pseudopotentials 0.13 Mb ( 70, 124) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 1252) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 140, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.23 Mb ( 124, 2, 60) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbO2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.2 secs Computing kpt #: 22 total cpu time spent up to now is 11.6 secs Computing kpt #: 23 total cpu time spent up to now is 12.0 secs Computing kpt #: 24 total cpu time spent up to now is 12.3 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.4 secs Computing kpt #: 28 total cpu time spent up to now is 13.9 secs Computing kpt #: 29 total cpu time spent up to now is 14.2 secs Computing kpt #: 30 total cpu time spent up to now is 14.6 secs Computing kpt #: 31 total cpu time spent up to now is 15.0 secs Computing kpt #: 32 total cpu time spent up to now is 15.3 secs Computing kpt #: 33 total cpu time spent up to now is 15.6 secs Computing kpt #: 34 total cpu time spent up to now is 16.0 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 17.0 secs Computing kpt #: 38 total cpu time spent up to now is 17.4 secs Computing kpt #: 39 total cpu time spent up to now is 17.7 secs Computing kpt #: 40 total cpu time spent up to now is 18.1 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.8 secs Computing kpt #: 43 total cpu time spent up to now is 19.1 secs Computing kpt #: 44 total cpu time spent up to now is 19.4 secs Computing kpt #: 45 total cpu time spent up to now is 19.8 secs Computing kpt #: 46 total cpu time spent up to now is 20.1 secs Computing kpt #: 47 total cpu time spent up to now is 20.5 secs Computing kpt #: 48 total cpu time spent up to now is 20.8 secs Computing kpt #: 49 total cpu time spent up to now is 21.2 secs Computing kpt #: 50 total cpu time spent up to now is 21.5 secs Computing kpt #: 51 total cpu time spent up to now is 21.9 secs Computing kpt #: 52 total cpu time spent up to now is 22.2 secs Computing kpt #: 53 total cpu time spent up to now is 22.6 secs Computing kpt #: 54 total cpu time spent up to now is 22.9 secs Computing kpt #: 55 total cpu time spent up to now is 23.3 secs Computing kpt #: 56 total cpu time spent up to now is 23.6 secs Computing kpt #: 57 total cpu time spent up to now is 24.0 secs Computing kpt #: 58 total cpu time spent up to now is 24.3 secs Computing kpt #: 59 total cpu time spent up to now is 24.6 secs Computing kpt #: 60 total cpu time spent up to now is 25.0 secs Computing kpt #: 61 total cpu time spent up to now is 25.3 secs Computing kpt #: 62 total cpu time spent up to now is 25.7 secs Computing kpt #: 63 total cpu time spent up to now is 26.0 secs Computing kpt #: 64 total cpu time spent up to now is 26.4 secs Computing kpt #: 65 total cpu time spent up to now is 26.7 secs Computing kpt #: 66 total cpu time spent up to now is 27.0 secs Computing kpt #: 67 total cpu time spent up to now is 27.4 secs Computing kpt #: 68 total cpu time spent up to now is 27.7 secs Computing kpt #: 69 total cpu time spent up to now is 28.0 secs Computing kpt #: 70 total cpu time spent up to now is 28.4 secs Computing kpt #: 71 total cpu time spent up to now is 28.7 secs Computing kpt #: 72 total cpu time spent up to now is 29.0 secs Computing kpt #: 73 total cpu time spent up to now is 29.4 secs Computing kpt #: 74 total cpu time spent up to now is 29.7 secs Computing kpt #: 75 total cpu time spent up to now is 30.0 secs Computing kpt #: 76 total cpu time spent up to now is 30.4 secs Computing kpt #: 77 total cpu time spent up to now is 30.7 secs Computing kpt #: 78 total cpu time spent up to now is 31.1 secs Computing kpt #: 79 total cpu time spent up to now is 31.4 secs Computing kpt #: 80 total cpu time spent up to now is 31.7 secs Computing kpt #: 81 total cpu time spent up to now is 32.1 secs Computing kpt #: 82 total cpu time spent up to now is 32.4 secs Computing kpt #: 83 total cpu time spent up to now is 32.8 secs Computing kpt #: 84 total cpu time spent up to now is 33.1 secs Computing kpt #: 85 total cpu time spent up to now is 33.4 secs Computing kpt #: 86 total cpu time spent up to now is 33.8 secs Computing kpt #: 87 total cpu time spent up to now is 34.1 secs Computing kpt #: 88 total cpu time spent up to now is 34.5 secs Computing kpt #: 89 total cpu time spent up to now is 34.8 secs Computing kpt #: 90 total cpu time spent up to now is 35.2 secs Computing kpt #: 91 total cpu time spent up to now is 35.5 secs Computing kpt #: 92 total cpu time spent up to now is 35.9 secs Computing kpt #: 93 total cpu time spent up to now is 36.3 secs Computing kpt #: 94 total cpu time spent up to now is 36.8 secs Computing kpt #: 95 total cpu time spent up to now is 37.3 secs Computing kpt #: 96 total cpu time spent up to now is 37.8 secs Computing kpt #: 97 total cpu time spent up to now is 38.2 secs Computing kpt #: 98 total cpu time spent up to now is 38.5 secs Computing kpt #: 99 total cpu time spent up to now is 38.9 secs Computing kpt #: 100 total cpu time spent up to now is 39.3 secs Computing kpt #: 101 total cpu time spent up to now is 39.6 secs Computing kpt #: 102 total cpu time spent up to now is 40.0 secs Computing kpt #: 103 total cpu time spent up to now is 40.4 secs Computing kpt #: 104 total cpu time spent up to now is 40.8 secs Computing kpt #: 105 total cpu time spent up to now is 41.2 secs Computing kpt #: 106 total cpu time spent up to now is 41.5 secs Computing kpt #: 107 total cpu time spent up to now is 41.9 secs Computing kpt #: 108 total cpu time spent up to now is 42.3 secs Computing kpt #: 109 total cpu time spent up to now is 42.7 secs Computing kpt #: 110 total cpu time spent up to now is 43.1 secs Computing kpt #: 111 total cpu time spent up to now is 43.6 secs Computing kpt #: 112 total cpu time spent up to now is 44.0 secs Computing kpt #: 113 total cpu time spent up to now is 44.4 secs Computing kpt #: 114 total cpu time spent up to now is 44.8 secs Computing kpt #: 115 total cpu time spent up to now is 45.4 secs Computing kpt #: 116 total cpu time spent up to now is 46.0 secs Computing kpt #: 117 total cpu time spent up to now is 46.7 secs Computing kpt #: 118 total cpu time spent up to now is 47.3 secs Computing kpt #: 119 total cpu time spent up to now is 47.7 secs Computing kpt #: 120 total cpu time spent up to now is 48.2 secs Computing kpt #: 121 total cpu time spent up to now is 48.6 secs Computing kpt #: 122 total cpu time spent up to now is 49.0 secs Computing kpt #: 123 total cpu time spent up to now is 49.4 secs Computing kpt #: 124 total cpu time spent up to now is 49.8 secs Computing kpt #: 125 total cpu time spent up to now is 50.2 secs Computing kpt #: 126 total cpu time spent up to now is 50.6 secs Computing kpt #: 127 total cpu time spent up to now is 50.9 secs Computing kpt #: 128 total cpu time spent up to now is 51.3 secs Computing kpt #: 129 total cpu time spent up to now is 51.7 secs Computing kpt #: 130 total cpu time spent up to now is 52.1 secs Computing kpt #: 131 total cpu time spent up to now is 52.4 secs Computing kpt #: 132 total cpu time spent up to now is 52.8 secs Computing kpt #: 133 total cpu time spent up to now is 53.2 secs Computing kpt #: 134 total cpu time spent up to now is 53.5 secs Computing kpt #: 135 total cpu time spent up to now is 53.9 secs Computing kpt #: 136 total cpu time spent up to now is 54.3 secs Computing kpt #: 137 total cpu time spent up to now is 54.6 secs Computing kpt #: 138 total cpu time spent up to now is 55.0 secs Computing kpt #: 139 total cpu time spent up to now is 55.4 secs Computing kpt #: 140 total cpu time spent up to now is 55.7 secs Computing kpt #: 141 total cpu time spent up to now is 56.1 secs Computing kpt #: 142 total cpu time spent up to now is 56.5 secs Computing kpt #: 143 total cpu time spent up to now is 56.8 secs Computing kpt #: 144 total cpu time spent up to now is 57.2 secs Computing kpt #: 145 total cpu time spent up to now is 57.6 secs Computing kpt #: 146 total cpu time spent up to now is 57.9 secs Computing kpt #: 147 total cpu time spent up to now is 58.3 secs Computing kpt #: 148 total cpu time spent up to now is 58.7 secs Computing kpt #: 149 total cpu time spent up to now is 59.0 secs Computing kpt #: 150 total cpu time spent up to now is 59.4 secs Computing kpt #: 151 total cpu time spent up to now is 59.8 secs Computing kpt #: 152 total cpu time spent up to now is 60.1 secs Computing kpt #: 153 total cpu time spent up to now is 60.5 secs Computing kpt #: 154 total cpu time spent up to now is 60.9 secs Computing kpt #: 155 total cpu time spent up to now is 61.2 secs Computing kpt #: 156 total cpu time spent up to now is 61.6 secs Computing kpt #: 157 total cpu time spent up to now is 62.0 secs Computing kpt #: 158 total cpu time spent up to now is 62.3 secs Computing kpt #: 159 total cpu time spent up to now is 62.7 secs Computing kpt #: 160 total cpu time spent up to now is 63.1 secs Computing kpt #: 161 total cpu time spent up to now is 63.5 secs Computing kpt #: 162 total cpu time spent up to now is 63.8 secs Computing kpt #: 163 total cpu time spent up to now is 64.2 secs Computing kpt #: 164 total cpu time spent up to now is 64.6 secs Computing kpt #: 165 total cpu time spent up to now is 64.9 secs Computing kpt #: 166 total cpu time spent up to now is 65.3 secs Computing kpt #: 167 total cpu time spent up to now is 65.7 secs Computing kpt #: 168 total cpu time spent up to now is 66.0 secs Computing kpt #: 169 total cpu time spent up to now is 66.4 secs Computing kpt #: 170 total cpu time spent up to now is 66.8 secs Computing kpt #: 171 total cpu time spent up to now is 67.1 secs Computing kpt #: 172 total cpu time spent up to now is 67.5 secs Computing kpt #: 173 total cpu time spent up to now is 67.8 secs Computing kpt #: 174 total cpu time spent up to now is 68.2 secs Computing kpt #: 175 total cpu time spent up to now is 68.6 secs Computing kpt #: 176 total cpu time spent up to now is 69.0 secs Computing kpt #: 177 total cpu time spent up to now is 69.3 secs Computing kpt #: 178 total cpu time spent up to now is 69.7 secs Computing kpt #: 179 total cpu time spent up to now is 70.1 secs Computing kpt #: 180 total cpu time spent up to now is 70.4 secs Computing kpt #: 181 total cpu time spent up to now is 70.8 secs Computing kpt #: 182 total cpu time spent up to now is 71.2 secs Computing kpt #: 183 total cpu time spent up to now is 71.5 secs Computing kpt #: 184 total cpu time spent up to now is 71.9 secs Computing kpt #: 185 total cpu time spent up to now is 72.3 secs Computing kpt #: 186 total cpu time spent up to now is 72.7 secs Computing kpt #: 187 total cpu time spent up to now is 73.0 secs Computing kpt #: 188 total cpu time spent up to now is 73.4 secs Computing kpt #: 189 total cpu time spent up to now is 73.8 secs Computing kpt #: 190 total cpu time spent up to now is 74.2 secs Computing kpt #: 191 total cpu time spent up to now is 74.5 secs Computing kpt #: 192 total cpu time spent up to now is 74.9 secs Computing kpt #: 193 total cpu time spent up to now is 75.3 secs Computing kpt #: 194 total cpu time spent up to now is 75.7 secs Computing kpt #: 195 total cpu time spent up to now is 76.0 secs Computing kpt #: 196 total cpu time spent up to now is 76.4 secs Computing kpt #: 197 total cpu time spent up to now is 76.8 secs Computing kpt #: 198 total cpu time spent up to now is 77.2 secs Computing kpt #: 199 total cpu time spent up to now is 77.5 secs Computing kpt #: 200 total cpu time spent up to now is 77.9 secs Computing kpt #: 201 total cpu time spent up to now is 78.3 secs Computing kpt #: 202 total cpu time spent up to now is 78.6 secs Computing kpt #: 203 total cpu time spent up to now is 79.0 secs Computing kpt #: 204 total cpu time spent up to now is 79.4 secs Computing kpt #: 205 total cpu time spent up to now is 79.8 secs Computing kpt #: 206 total cpu time spent up to now is 80.1 secs Computing kpt #: 207 total cpu time spent up to now is 80.5 secs Computing kpt #: 208 total cpu time spent up to now is 80.9 secs Computing kpt #: 209 total cpu time spent up to now is 81.3 secs Computing kpt #: 210 total cpu time spent up to now is 81.7 secs Computing kpt #: 211 total cpu time spent up to now is 82.0 secs Computing kpt #: 212 total cpu time spent up to now is 82.4 secs Computing kpt #: 213 total cpu time spent up to now is 82.8 secs Computing kpt #: 214 total cpu time spent up to now is 83.2 secs Computing kpt #: 215 total cpu time spent up to now is 83.5 secs Computing kpt #: 216 total cpu time spent up to now is 83.9 secs Computing kpt #: 217 total cpu time spent up to now is 84.3 secs Computing kpt #: 218 total cpu time spent up to now is 84.7 secs Computing kpt #: 219 total cpu time spent up to now is 85.0 secs Computing kpt #: 220 total cpu time spent up to now is 85.4 secs Computing kpt #: 221 total cpu time spent up to now is 85.8 secs Computing kpt #: 222 total cpu time spent up to now is 86.1 secs Computing kpt #: 223 total cpu time spent up to now is 86.5 secs Computing kpt #: 224 total cpu time spent up to now is 86.9 secs Computing kpt #: 225 total cpu time spent up to now is 87.2 secs Computing kpt #: 226 total cpu time spent up to now is 87.6 secs Computing kpt #: 227 total cpu time spent up to now is 87.9 secs Computing kpt #: 228 total cpu time spent up to now is 88.3 secs Computing kpt #: 229 total cpu time spent up to now is 88.6 secs Computing kpt #: 230 total cpu time spent up to now is 89.0 secs Computing kpt #: 231 total cpu time spent up to now is 89.3 secs Computing kpt #: 232 total cpu time spent up to now is 89.7 secs Computing kpt #: 233 total cpu time spent up to now is 90.0 secs Computing kpt #: 234 total cpu time spent up to now is 90.3 secs Computing kpt #: 235 total cpu time spent up to now is 90.7 secs Computing kpt #: 236 total cpu time spent up to now is 91.0 secs Computing kpt #: 237 total cpu time spent up to now is 91.3 secs Computing kpt #: 238 total cpu time spent up to now is 91.7 secs Computing kpt #: 239 total cpu time spent up to now is 92.0 secs Computing kpt #: 240 total cpu time spent up to now is 92.3 secs Computing kpt #: 241 total cpu time spent up to now is 92.7 secs Computing kpt #: 242 total cpu time spent up to now is 93.0 secs Computing kpt #: 243 total cpu time spent up to now is 93.3 secs Computing kpt #: 244 total cpu time spent up to now is 93.7 secs Computing kpt #: 245 total cpu time spent up to now is 94.0 secs Computing kpt #: 246 total cpu time spent up to now is 94.4 secs Computing kpt #: 247 total cpu time spent up to now is 94.7 secs Computing kpt #: 248 total cpu time spent up to now is 95.1 secs Computing kpt #: 249 total cpu time spent up to now is 95.4 secs Computing kpt #: 250 total cpu time spent up to now is 95.8 secs Computing kpt #: 251 total cpu time spent up to now is 96.1 secs Computing kpt #: 252 total cpu time spent up to now is 96.5 secs Computing kpt #: 253 total cpu time spent up to now is 96.8 secs Computing kpt #: 254 total cpu time spent up to now is 97.2 secs Computing kpt #: 255 total cpu time spent up to now is 97.6 secs Computing kpt #: 256 total cpu time spent up to now is 97.9 secs Computing kpt #: 257 total cpu time spent up to now is 98.3 secs Computing kpt #: 258 total cpu time spent up to now is 98.7 secs Computing kpt #: 259 total cpu time spent up to now is 99.0 secs Computing kpt #: 260 total cpu time spent up to now is 99.4 secs Computing kpt #: 261 total cpu time spent up to now is 99.8 secs Computing kpt #: 262 total cpu time spent up to now is 100.2 secs Computing kpt #: 263 total cpu time spent up to now is 100.5 secs Computing kpt #: 264 total cpu time spent up to now is 100.9 secs Computing kpt #: 265 total cpu time spent up to now is 101.3 secs Computing kpt #: 266 total cpu time spent up to now is 101.7 secs Computing kpt #: 267 total cpu time spent up to now is 102.0 secs Computing kpt #: 268 total cpu time spent up to now is 102.4 secs Computing kpt #: 269 total cpu time spent up to now is 102.8 secs Computing kpt #: 270 total cpu time spent up to now is 103.2 secs Computing kpt #: 271 total cpu time spent up to now is 103.5 secs Computing kpt #: 272 total cpu time spent up to now is 103.9 secs Computing kpt #: 273 total cpu time spent up to now is 104.3 secs Computing kpt #: 274 total cpu time spent up to now is 104.7 secs Computing kpt #: 275 total cpu time spent up to now is 105.0 secs Computing kpt #: 276 total cpu time spent up to now is 105.4 secs Computing kpt #: 277 total cpu time spent up to now is 105.8 secs Computing kpt #: 278 total cpu time spent up to now is 106.1 secs Computing kpt #: 279 total cpu time spent up to now is 106.5 secs Computing kpt #: 280 total cpu time spent up to now is 106.9 secs Computing kpt #: 281 total cpu time spent up to now is 107.2 secs Computing kpt #: 282 total cpu time spent up to now is 107.6 secs Computing kpt #: 283 total cpu time spent up to now is 107.9 secs Computing kpt #: 284 total cpu time spent up to now is 108.3 secs Computing kpt #: 285 total cpu time spent up to now is 108.7 secs Computing kpt #: 286 total cpu time spent up to now is 109.0 secs Computing kpt #: 287 total cpu time spent up to now is 109.4 secs Computing kpt #: 288 total cpu time spent up to now is 109.7 secs Computing kpt #: 289 total cpu time spent up to now is 110.1 secs Computing kpt #: 290 total cpu time spent up to now is 110.4 secs Computing kpt #: 291 total cpu time spent up to now is 110.8 secs Computing kpt #: 292 total cpu time spent up to now is 111.1 secs Computing kpt #: 293 total cpu time spent up to now is 111.5 secs Computing kpt #: 294 total cpu time spent up to now is 111.8 secs Computing kpt #: 295 total cpu time spent up to now is 112.2 secs Computing kpt #: 296 total cpu time spent up to now is 112.6 secs Computing kpt #: 297 total cpu time spent up to now is 112.9 secs Computing kpt #: 298 total cpu time spent up to now is 113.3 secs Computing kpt #: 299 total cpu time spent up to now is 113.6 secs Computing kpt #: 300 total cpu time spent up to now is 114.0 secs Computing kpt #: 301 total cpu time spent up to now is 114.4 secs Computing kpt #: 302 total cpu time spent up to now is 114.7 secs Computing kpt #: 303 total cpu time spent up to now is 115.1 secs Computing kpt #: 304 total cpu time spent up to now is 115.4 secs Computing kpt #: 305 total cpu time spent up to now is 115.8 secs Computing kpt #: 306 total cpu time spent up to now is 116.2 secs Computing kpt #: 307 total cpu time spent up to now is 116.5 secs Computing kpt #: 308 total cpu time spent up to now is 116.9 secs Computing kpt #: 309 total cpu time spent up to now is 117.2 secs Computing kpt #: 310 total cpu time spent up to now is 117.6 secs Computing kpt #: 311 total cpu time spent up to now is 117.9 secs Computing kpt #: 312 total cpu time spent up to now is 118.3 secs Computing kpt #: 313 total cpu time spent up to now is 118.7 secs Computing kpt #: 314 total cpu time spent up to now is 119.0 secs Computing kpt #: 315 total cpu time spent up to now is 119.4 secs Computing kpt #: 316 total cpu time spent up to now is 119.7 secs Computing kpt #: 317 total cpu time spent up to now is 120.0 secs Computing kpt #: 318 total cpu time spent up to now is 120.4 secs Computing kpt #: 319 total cpu time spent up to now is 120.8 secs Computing kpt #: 320 total cpu time spent up to now is 121.1 secs Computing kpt #: 321 total cpu time spent up to now is 121.5 secs Computing kpt #: 322 total cpu time spent up to now is 121.8 secs Computing kpt #: 323 total cpu time spent up to now is 122.2 secs Computing kpt #: 324 total cpu time spent up to now is 122.5 secs Computing kpt #: 325 total cpu time spent up to now is 122.9 secs Computing kpt #: 326 total cpu time spent up to now is 123.3 secs Computing kpt #: 327 total cpu time spent up to now is 123.6 secs Computing kpt #: 328 total cpu time spent up to now is 124.0 secs Computing kpt #: 329 total cpu time spent up to now is 124.4 secs Computing kpt #: 330 total cpu time spent up to now is 124.7 secs Computing kpt #: 331 total cpu time spent up to now is 125.1 secs Computing kpt #: 332 total cpu time spent up to now is 125.5 secs Computing kpt #: 333 total cpu time spent up to now is 125.9 secs Computing kpt #: 334 total cpu time spent up to now is 126.2 secs Computing kpt #: 335 total cpu time spent up to now is 126.6 secs Computing kpt #: 336 total cpu time spent up to now is 127.0 secs Computing kpt #: 337 total cpu time spent up to now is 127.4 secs Computing kpt #: 338 total cpu time spent up to now is 127.7 secs Computing kpt #: 339 total cpu time spent up to now is 128.1 secs Computing kpt #: 340 total cpu time spent up to now is 128.5 secs Computing kpt #: 341 total cpu time spent up to now is 128.8 secs Computing kpt #: 342 total cpu time spent up to now is 129.2 secs Computing kpt #: 343 total cpu time spent up to now is 129.5 secs Computing kpt #: 344 total cpu time spent up to now is 129.8 secs Computing kpt #: 345 total cpu time spent up to now is 130.2 secs Computing kpt #: 346 total cpu time spent up to now is 130.5 secs Computing kpt #: 347 total cpu time spent up to now is 130.8 secs Computing kpt #: 348 total cpu time spent up to now is 131.2 secs Computing kpt #: 349 total cpu time spent up to now is 131.5 secs Computing kpt #: 350 total cpu time spent up to now is 131.9 secs Computing kpt #: 351 total cpu time spent up to now is 132.2 secs Computing kpt #: 352 total cpu time spent up to now is 132.5 secs Computing kpt #: 353 total cpu time spent up to now is 132.9 secs Computing kpt #: 354 total cpu time spent up to now is 133.2 secs Computing kpt #: 355 total cpu time spent up to now is 133.6 secs Computing kpt #: 356 total cpu time spent up to now is 133.9 secs Computing kpt #: 357 total cpu time spent up to now is 134.3 secs Computing kpt #: 358 total cpu time spent up to now is 134.6 secs Computing kpt #: 359 total cpu time spent up to now is 135.0 secs Computing kpt #: 360 total cpu time spent up to now is 135.3 secs Computing kpt #: 361 total cpu time spent up to now is 135.7 secs Computing kpt #: 362 total cpu time spent up to now is 136.0 secs Computing kpt #: 363 total cpu time spent up to now is 136.4 secs Computing kpt #: 364 total cpu time spent up to now is 136.7 secs Computing kpt #: 365 total cpu time spent up to now is 137.1 secs Computing kpt #: 366 total cpu time spent up to now is 137.4 secs Computing kpt #: 367 total cpu time spent up to now is 137.8 secs Computing kpt #: 368 total cpu time spent up to now is 138.1 secs Computing kpt #: 369 total cpu time spent up to now is 138.5 secs Computing kpt #: 370 total cpu time spent up to now is 138.8 secs Computing kpt #: 371 total cpu time spent up to now is 139.2 secs Computing kpt #: 372 total cpu time spent up to now is 139.6 secs Computing kpt #: 373 total cpu time spent up to now is 139.9 secs Computing kpt #: 374 total cpu time spent up to now is 140.3 secs Computing kpt #: 375 total cpu time spent up to now is 140.7 secs Computing kpt #: 376 total cpu time spent up to now is 141.0 secs Computing kpt #: 377 total cpu time spent up to now is 141.4 secs Computing kpt #: 378 total cpu time spent up to now is 141.8 secs Computing kpt #: 379 total cpu time spent up to now is 142.1 secs Computing kpt #: 380 total cpu time spent up to now is 142.5 secs Computing kpt #: 381 total cpu time spent up to now is 142.9 secs Computing kpt #: 382 total cpu time spent up to now is 143.2 secs Computing kpt #: 383 total cpu time spent up to now is 143.6 secs Computing kpt #: 384 total cpu time spent up to now is 143.9 secs Computing kpt #: 385 total cpu time spent up to now is 144.3 secs Computing kpt #: 386 total cpu time spent up to now is 144.7 secs Computing kpt #: 387 total cpu time spent up to now is 145.0 secs Computing kpt #: 388 total cpu time spent up to now is 145.4 secs Computing kpt #: 389 total cpu time spent up to now is 145.7 secs Computing kpt #: 390 total cpu time spent up to now is 146.1 secs Computing kpt #: 391 total cpu time spent up to now is 146.4 secs Computing kpt #: 392 total cpu time spent up to now is 146.8 secs Computing kpt #: 393 total cpu time spent up to now is 147.1 secs Computing kpt #: 394 total cpu time spent up to now is 147.5 secs ethr = 2.00E-08, avg # of iterations = 15.0 total cpu time spent up to now is 147.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -42.7129 -42.7129 -42.6863 -42.6863 -20.3975 -20.3975 -20.1847 -20.1847 -18.5330 -18.5330 -18.1720 -18.1720 -18.1322 -18.1322 -17.9963 -17.9963 -7.0565 -7.0565 -6.4545 -6.4545 -5.1697 -5.1697 -5.0179 -5.0179 4.8613 4.8613 5.0936 5.0936 5.6868 5.6868 6.9164 6.9164 6.9264 6.9264 8.5177 8.5177 8.5935 8.5935 9.2287 9.2287 9.9223 9.9223 9.9757 9.9757 9.9973 9.9973 10.6587 10.6587 13.1244 13.1244 13.1718 13.1718 14.2104 14.2104 14.6504 14.6504 14.7003 14.7003 17.4897 17.4897 k = 0.0000 0.0152-0.0000 ( 2545 PWs) bands (ev): -42.7128 -42.7128 -42.6864 -42.6864 -20.3974 -20.3974 -20.1848 -20.1848 -18.5328 -18.5328 -18.1721 -18.1721 -18.1322 -18.1322 -17.9963 -17.9963 -7.0556 -7.0556 -6.4539 -6.4539 -5.1706 -5.1706 -5.0189 -5.0189 4.8629 4.8629 5.0953 5.0953 5.6883 5.6883 6.9167 6.9167 6.9266 6.9266 8.5159 8.5159 8.5917 8.5917 9.2283 9.2283 9.9196 9.9196 9.9724 9.9724 9.9955 9.9955 10.6579 10.6579 13.1271 13.1271 13.1735 13.1735 14.2127 14.2127 14.6520 14.6520 14.7019 14.7019 17.4911 17.4911 k = 0.0000 0.0303-0.0000 ( 2557 PWs) bands (ev): -42.7130 -42.7130 -42.6866 -42.6866 -20.3970 -20.3970 -20.1852 -20.1852 -18.5322 -18.5322 -18.1724 -18.1724 -18.1325 -18.1325 -17.9966 -17.9966 -7.0528 -7.0528 -6.4523 -6.4523 -5.1733 -5.1733 -5.0219 -5.0219 4.8679 4.8679 5.1005 5.1005 5.6929 5.6929 6.9174 6.9174 6.9273 6.9273 8.5104 8.5104 8.5864 8.5864 9.2270 9.2270 9.9112 9.9112 9.9628 9.9628 9.9903 9.9903 10.6556 10.6556 13.1352 13.1352 13.1786 13.1786 14.2197 14.2197 14.6567 14.6567 14.7065 14.7065 17.4931 17.4931 k = 0.0000 0.0455-0.0000 ( 2558 PWs) bands (ev): -42.7130 -42.7130 -42.6865 -42.6865 -20.3965 -20.3965 -20.1858 -20.1858 -18.5312 -18.5312 -18.1729 -18.1729 -18.1328 -18.1328 -17.9971 -17.9971 -7.0482 -7.0482 -6.4496 -6.4496 -5.1777 -5.1777 -5.0269 -5.0269 4.8762 4.8762 5.1090 5.1090 5.7004 5.7004 6.9186 6.9186 6.9285 6.9285 8.5012 8.5012 8.5778 8.5778 9.2249 9.2249 9.8964 9.8964 9.9479 9.9479 9.9821 9.9821 10.6516 10.6516 13.1486 13.1486 13.1870 13.1870 14.2313 14.2313 14.6646 14.6646 14.7141 14.7141 17.4834 17.4834 k = 0.0000 0.0606-0.0000 ( 2564 PWs) bands (ev): -42.7131 -42.7131 -42.6867 -42.6867 -20.3956 -20.3956 -20.1867 -20.1867 -18.5299 -18.5299 -18.1735 -18.1735 -18.1332 -18.1332 -17.9978 -17.9978 -7.0418 -7.0418 -6.4458 -6.4458 -5.1839 -5.1839 -5.0338 -5.0338 4.8878 4.8878 5.1209 5.1209 5.7110 5.7110 6.9203 6.9203 6.9302 6.9302 8.4880 8.4880 8.5659 8.5659 9.2221 9.2221 9.8738 9.8738 9.9292 9.9292 9.9710 9.9710 10.6461 10.6461 13.1669 13.1669 13.1986 13.1986 14.2474 14.2474 14.6755 14.6755 14.7248 14.7248 17.4682 17.4682 k = 0.0000 0.0758-0.0000 ( 2566 PWs) bands (ev): -42.7131 -42.7131 -42.6867 -42.6867 -20.3946 -20.3946 -20.1878 -20.1878 -18.5281 -18.5281 -18.1745 -18.1745 -18.1336 -18.1336 -17.9987 -17.9987 -7.0336 -7.0336 -6.4410 -6.4410 -5.1919 -5.1919 -5.0426 -5.0426 4.9027 4.9027 5.1362 5.1362 5.7247 5.7247 6.9224 6.9224 6.9324 6.9324 8.4707 8.4707 8.5511 8.5511 9.2185 9.2185 9.8424 9.8424 9.9085 9.9085 9.9575 9.9575 10.6389 10.6389 13.1899 13.1899 13.2133 13.2133 14.2678 14.2678 14.6893 14.6893 14.7385 14.7385 17.4486 17.4486 k = 0.0000 0.0909-0.0000 ( 2566 PWs) bands (ev): -42.7129 -42.7129 -42.6869 -42.6869 -20.3933 -20.3933 -20.1891 -20.1891 -18.5260 -18.5260 -18.1758 -18.1758 -18.1340 -18.1340 -17.9997 -17.9997 -7.0235 -7.0235 -6.4351 -6.4351 -5.2016 -5.2016 -5.0533 -5.0533 4.9208 4.9208 5.1546 5.1546 5.7413 5.7413 6.9250 6.9250 6.9350 6.9350 8.4490 8.4490 8.5333 8.5333 9.2142 9.2142 9.8021 9.8021 9.8868 9.8868 9.9417 9.9417 10.6299 10.6299 13.2168 13.2168 13.2308 13.2308 14.2924 14.2924 14.7058 14.7058 14.7549 14.7549 17.4248 17.4248 k = 0.0000 0.1061-0.0000 ( 2570 PWs) bands (ev): -42.7127 -42.7127 -42.6872 -42.6872 -20.3919 -20.3919 -20.1907 -20.1907 -18.5235 -18.5235 -18.1775 -18.1775 -18.1343 -18.1343 -18.0010 -18.0010 -7.0117 -7.0117 -6.4283 -6.4283 -5.2130 -5.2130 -5.0657 -5.0657 4.9420 4.9420 5.1762 5.1762 5.7611 5.7611 6.9280 6.9280 6.9381 6.9381 8.4229 8.4229 8.5126 8.5126 9.2094 9.2094 9.7538 9.7538 9.8643 9.8643 9.9238 9.9238 10.6193 10.6193 13.2472 13.2472 13.2511 13.2511 14.3210 14.3210 14.7249 14.7249 14.7741 14.7741 17.3971 17.3971 k = 0.0000 0.1212-0.0000 ( 2570 PWs) bands (ev): -42.7125 -42.7125 -42.6874 -42.6874 -20.3901 -20.3901 -20.1926 -20.1926 -18.5206 -18.5206 -18.1796 -18.1796 -18.1344 -18.1344 -18.0024 -18.0024 -6.9982 -6.9982 -6.4204 -6.4204 -5.2261 -5.2261 -5.0799 -5.0799 4.9663 4.9663 5.2009 5.2009 5.7839 5.7839 6.9313 6.9313 6.9416 6.9416 8.3927 8.3927 8.4888 8.4888 9.2040 9.2040 9.6983 9.6983 9.8414 9.8414 9.9039 9.9039 10.6068 10.6068 13.2732 13.2732 13.2813 13.2813 14.3534 14.3534 14.7465 14.7465 14.7960 14.7960 17.3656 17.3656 k = 0.0000 0.1364-0.0000 ( 2566 PWs) bands (ev): -42.7122 -42.7122 -42.6876 -42.6876 -20.3882 -20.3882 -20.1946 -20.1946 -18.5173 -18.5173 -18.1823 -18.1823 -18.1344 -18.1344 -18.0040 -18.0040 -6.9830 -6.9830 -6.4116 -6.4116 -5.2408 -5.2408 -5.0956 -5.0956 4.9937 4.9937 5.2285 5.2285 5.8098 5.8098 6.9349 6.9349 6.9456 6.9456 8.3584 8.3584 8.4618 8.4618 9.1982 9.1982 9.6363 9.6363 9.8185 9.8185 9.8822 9.8822 10.5927 10.5927 13.2979 13.2979 13.3173 13.3173 14.3894 14.3894 14.7703 14.7703 14.8203 14.8203 17.3304 17.3304 k = 0.0000 0.1515-0.0000 ( 2566 PWs) bands (ev): -42.7119 -42.7119 -42.6879 -42.6879 -20.3861 -20.3861 -20.1969 -20.1969 -18.5137 -18.5137 -18.1854 -18.1854 -18.1341 -18.1341 -18.0057 -18.0057 -6.9661 -6.9661 -6.4019 -6.4019 -5.2571 -5.2571 -5.1129 -5.1129 5.0241 5.0241 5.2589 5.2589 5.8388 5.8388 6.9389 6.9389 6.9500 6.9500 8.3204 8.3204 8.4313 8.4313 9.1920 9.1920 9.5686 9.5686 9.7962 9.7962 9.8588 9.8588 10.5769 10.5769 13.3244 13.3244 13.3554 13.3554 14.4287 14.4287 14.7961 14.7961 14.8468 14.8468 17.2918 17.2918 k = 0.0000 0.1667-0.0000 ( 2566 PWs) bands (ev): -42.7116 -42.7116 -42.6882 -42.6882 -20.3837 -20.3837 -20.1994 -20.1994 -18.5097 -18.5097 -18.1890 -18.1890 -18.1335 -18.1335 -18.0076 -18.0076 -6.9475 -6.9475 -6.3914 -6.3914 -5.2750 -5.2750 -5.1316 -5.1316 5.0573 5.0573 5.2919 5.2919 5.8709 5.8709 6.9431 6.9431 6.9547 6.9547 8.2790 8.2790 8.3971 8.3971 9.1857 9.1857 9.4957 9.4957 9.7750 9.7750 9.8339 9.8339 10.5594 10.5594 13.3524 13.3524 13.3948 13.3948 14.4711 14.4711 14.8238 14.8238 14.8753 14.8753 17.2498 17.2498 k = 0.0000 0.1818-0.0000 ( 2564 PWs) bands (ev): -42.7112 -42.7112 -42.6885 -42.6885 -20.3811 -20.3811 -20.2021 -20.2021 -18.5054 -18.5054 -18.1931 -18.1931 -18.1327 -18.1327 -18.0097 -18.0097 -6.9274 -6.9274 -6.3800 -6.3800 -5.2944 -5.2944 -5.1515 -5.1515 5.0933 5.0933 5.3273 5.3273 5.9062 5.9062 6.9476 6.9476 6.9598 6.9598 8.2345 8.2345 8.3590 8.3590 9.1792 9.1792 9.4182 9.4182 9.7555 9.7555 9.8077 9.8077 10.5403 10.5403 13.3816 13.3816 13.4351 13.4351 14.5164 14.5164 14.8531 14.8531 14.9057 14.9057 17.2048 17.2048 k = 0.0000 0.1970-0.0000 ( 2560 PWs) bands (ev): -42.7108 -42.7108 -42.6888 -42.6888 -20.3784 -20.3784 -20.2050 -20.2050 -18.5007 -18.5007 -18.1978 -18.1978 -18.1317 -18.1317 -18.0119 -18.0119 -6.9058 -6.9058 -6.3679 -6.3679 -5.3151 -5.3151 -5.1727 -5.1727 5.1320 5.1320 5.3650 5.3650 5.9446 5.9446 6.9523 6.9523 6.9651 6.9651 8.1873 8.1873 8.3170 8.3170 9.1728 9.1728 9.3365 9.3365 9.7381 9.7381 9.7804 9.7804 10.5196 10.5196 13.4119 13.4119 13.4757 13.4757 14.5644 14.5644 14.8838 14.8838 14.9375 14.9375 17.1569 17.1569 k = 0.0000 0.2121-0.0000 ( 2560 PWs) bands (ev): -42.7105 -42.7105 -42.6891 -42.6891 -20.3754 -20.3754 -20.2081 -20.2081 -18.4957 -18.4957 -18.2029 -18.2029 -18.1303 -18.1303 -18.0143 -18.0143 -6.8827 -6.8827 -6.3552 -6.3552 -5.3372 -5.3372 -5.1948 -5.1948 5.1731 5.1731 5.4048 5.4048 5.9863 5.9863 6.9571 6.9571 6.9706 6.9706 8.1377 8.1377 8.2712 8.2712 9.1665 9.1665 9.2510 9.2510 9.7229 9.7229 9.7524 9.7524 10.4975 10.4975 13.4429 13.4429 13.5161 13.5161 14.6148 14.6148 14.9158 14.9158 14.9705 14.9705 17.1063 17.1063 k = 0.0000 0.2273-0.0000 ( 2568 PWs) bands (ev): -42.7103 -42.7103 -42.6895 -42.6895 -20.3723 -20.3723 -20.2115 -20.2115 -18.4903 -18.4903 -18.2085 -18.2085 -18.1288 -18.1288 -18.0169 -18.0169 -6.8581 -6.8581 -6.3420 -6.3420 -5.3605 -5.3605 -5.2179 -5.2179 5.2167 5.2167 5.4464 5.4464 6.0312 6.0312 6.9622 6.9622 6.9763 6.9763 8.0860 8.0860 8.2217 8.2217 9.1590 9.1590 9.1637 9.1637 9.7088 9.7088 9.7253 9.7253 10.4741 10.4741 13.4743 13.4743 13.5559 13.5559 14.6675 14.6675 14.9489 14.9489 15.0044 15.0044 17.0532 17.0532 k = 0.0000 0.2424-0.0000 ( 2568 PWs) bands (ev): -42.7099 -42.7099 -42.6899 -42.6899 -20.3689 -20.3689 -20.2149 -20.2149 -18.4847 -18.4847 -18.2144 -18.2144 -18.1270 -18.1270 -18.0195 -18.0195 -6.8322 -6.8322 -6.3283 -6.3283 -5.3848 -5.3848 -5.2419 -5.2419 5.2625 5.2625 5.4896 5.4896 6.0793 6.0793 6.9674 6.9674 6.9821 6.9821 8.0326 8.0326 8.1687 8.1687 9.0706 9.0706 9.1550 9.1550 9.6878 9.6878 9.7075 9.7075 10.4494 10.4494 13.5059 13.5059 13.5947 13.5947 14.7223 14.7223 14.9826 14.9826 15.0389 15.0389 16.9977 16.9977 k = 0.0000 0.2576-0.0000 ( 2570 PWs) bands (ev): -42.7094 -42.7094 -42.6904 -42.6904 -20.3655 -20.3655 -20.2186 -20.2186 -18.4787 -18.4787 -18.2208 -18.2208 -18.1251 -18.1251 -18.0223 -18.0223 -6.8051 -6.8051 -6.3143 -6.3143 -5.4101 -5.4101 -5.2664 -5.2664 5.3103 5.3103 5.5341 5.5341 6.1306 6.1306 6.9727 6.9727 6.9879 6.9879 7.9777 7.9777 8.1125 8.1125 8.9765 8.9765 9.1499 9.1499 9.6590 9.6590 9.7002 9.7002 10.4235 10.4235 13.5376 13.5376 13.6322 13.6322 14.7790 14.7790 15.0170 15.0170 15.0736 15.0736 16.9402 16.9402 k = 0.0000 0.2727-0.0000 ( 2568 PWs) bands (ev): -42.7090 -42.7090 -42.6908 -42.6908 -20.3618 -20.3618 -20.2224 -20.2224 -18.4724 -18.4724 -18.2275 -18.2275 -18.1230 -18.1230 -18.0252 -18.0252 -6.7768 -6.7768 -6.3002 -6.3002 -5.4360 -5.4360 -5.2916 -5.2916 5.3600 5.3600 5.5797 5.5797 6.1852 6.1852 6.9781 6.9781 6.9937 6.9937 7.9218 7.9218 8.0537 8.0537 8.8802 8.8802 9.1454 9.1454 9.6285 9.6285 9.6973 9.6973 10.3966 10.3966 13.5690 13.5690 13.6679 13.6679 14.8374 14.8374 15.0517 15.0517 15.1082 15.1082 16.8807 16.8807 k = 0.0000 0.2879-0.0000 ( 2572 PWs) bands (ev): -42.7085 -42.7085 -42.6914 -42.6914 -20.3580 -20.3580 -20.2264 -20.2264 -18.4659 -18.4659 -18.2345 -18.2345 -18.1207 -18.1207 -18.0282 -18.0282 -6.7473 -6.7473 -6.2861 -6.2861 -5.4624 -5.4624 -5.3172 -5.3172 5.4114 5.4114 5.6259 5.6259 6.2430 6.2430 6.9835 6.9835 6.9994 6.9994 7.8652 7.8652 7.9926 7.9926 8.7822 8.7822 9.1418 9.1418 9.5976 9.5976 9.6977 9.6977 10.3688 10.3688 13.6000 13.6000 13.7017 13.7017 14.8972 14.8972 15.0865 15.0865 15.1423 15.1423 16.8194 16.8194 k = 0.0000 0.3030-0.0000 ( 2574 PWs) bands (ev): -42.7080 -42.7080 -42.6919 -42.6919 -20.3540 -20.3540 -20.2306 -20.2306 -18.4591 -18.4591 -18.2418 -18.2418 -18.1182 -18.1182 -18.0313 -18.0313 -6.7169 -6.7169 -6.2724 -6.2724 -5.4890 -5.4890 -5.3431 -5.3431 5.4641 5.4641 5.6726 5.6726 6.3041 6.3041 6.9889 6.9889 7.0049 7.0049 7.8082 7.8082 7.9298 7.9298 8.6826 8.6826 9.1391 9.1391 9.5666 9.5666 9.7012 9.7012 10.3401 10.3401 13.6302 13.6302 13.7332 13.7332 14.9583 14.9583 15.1213 15.1213 15.1757 15.1757 16.7566 16.7566 k = 0.0000 0.3182-0.0000 ( 2566 PWs) bands (ev): -42.7074 -42.7074 -42.6922 -42.6922 -20.3499 -20.3499 -20.2348 -20.2348 -18.4520 -18.4520 -18.2494 -18.2494 -18.1156 -18.1156 -18.0345 -18.0345 -6.6855 -6.6855 -6.2593 -6.2593 -5.5153 -5.5153 -5.3692 -5.3692 5.5180 5.5180 5.7192 5.7192 6.3683 6.3683 6.9943 6.9943 7.0102 7.0102 7.7513 7.7513 7.8660 7.8660 8.5818 8.5818 9.1375 9.1375 9.5357 9.5357 9.7076 9.7076 10.3107 10.3107 13.6598 13.6598 13.7623 13.7623 15.0203 15.0203 15.1560 15.1560 15.2081 15.2081 16.6923 16.6923 k = 0.0000 0.3333-0.0000 ( 2562 PWs) bands (ev): -42.7069 -42.7069 -42.6927 -42.6927 -20.3456 -20.3456 -20.2392 -20.2392 -18.4447 -18.4447 -18.2573 -18.2573 -18.1128 -18.1128 -18.0377 -18.0377 -6.6533 -6.6533 -6.2470 -6.2470 -5.5411 -5.5411 -5.3954 -5.3954 5.5726 5.5726 5.7654 5.7654 6.4356 6.4356 6.9996 6.9996 7.0152 7.0152 7.6948 7.6948 7.8017 7.8017 8.4801 8.4801 9.1370 9.1370 9.5051 9.5051 9.7167 9.7167 10.2807 10.2807 13.6882 13.6882 13.7889 13.7889 15.0826 15.0826 15.1907 15.1907 15.2391 15.2391 16.6268 16.6268 k = 0.0000 0.3485-0.0000 ( 2570 PWs) bands (ev): -42.7063 -42.7063 -42.6934 -42.6934 -20.3413 -20.3413 -20.2438 -20.2438 -18.4372 -18.4372 -18.2653 -18.2653 -18.1100 -18.1100 -18.0411 -18.0411 -6.6206 -6.6206 -6.2362 -6.2362 -5.5658 -5.5658 -5.4215 -5.4215 5.6276 5.6276 5.8107 5.8107 6.5060 6.5060 7.0047 7.0047 7.0199 7.0199 7.6392 7.6392 7.7378 7.7378 8.3778 8.3778 9.1378 9.1378 9.4750 9.4750 9.7282 9.7282 10.2502 10.2502 13.7155 13.7155 13.8127 13.8127 15.1440 15.1440 15.2259 15.2259 15.2685 15.2685 16.5600 16.5600 k = 0.0000 0.3636-0.0000 ( 2566 PWs) bands (ev): -42.7057 -42.7057 -42.6939 -42.6939 -20.3368 -20.3368 -20.2484 -20.2484 -18.4294 -18.4294 -18.2736 -18.2736 -18.1070 -18.1070 -18.0445 -18.0445 -6.5873 -6.5873 -6.2271 -6.2271 -5.5889 -5.5889 -5.4475 -5.4475 5.6824 5.6824 5.8546 5.8546 6.5793 6.5793 7.0097 7.0097 7.0242 7.0242 7.5851 7.5851 7.6748 7.6748 8.2752 8.2752 9.1399 9.1399 9.4456 9.4456 9.7421 9.7421 10.2193 10.2193 13.7415 13.7415 13.8337 13.8337 15.2012 15.2012 15.2639 15.2639 15.2967 15.2967 16.4924 16.4924 k = 0.0000 0.3788-0.0000 ( 2566 PWs) bands (ev): -42.7050 -42.7050 -42.6946 -42.6946 -20.3322 -20.3322 -20.2531 -20.2531 -18.4215 -18.4215 -18.2820 -18.2820 -18.1040 -18.1040 -18.0480 -18.0480 -6.5536 -6.5536 -6.2205 -6.2205 -5.6097 -5.6097 -5.4731 -5.4731 5.7367 5.7367 5.8963 5.8963 6.6554 6.6554 7.0144 7.0144 7.0280 7.0280 7.5331 7.5331 7.6138 7.6138 8.1724 8.1724 9.1434 9.1434 9.4169 9.4169 9.7582 9.7582 10.1883 10.1883 13.7659 13.7659 13.8518 13.8518 15.2486 15.2486 15.3058 15.3058 15.3279 15.3279 16.4238 16.4238 k = 0.0000 0.3939-0.0000 ( 2568 PWs) bands (ev): -42.7045 -42.7045 -42.6952 -42.6952 -20.3275 -20.3275 -20.2579 -20.2579 -18.4133 -18.4133 -18.2906 -18.2906 -18.1008 -18.1008 -18.0515 -18.0515 -6.5198 -6.5198 -6.2168 -6.2168 -5.6277 -5.6277 -5.4982 -5.4982 5.7896 5.7896 5.9352 5.9352 6.7342 6.7342 7.0189 7.0189 7.0314 7.0314 7.4839 7.4839 7.5557 7.5557 8.0698 8.0698 9.1485 9.1485 9.3891 9.3891 9.7762 9.7762 10.1571 10.1571 13.7888 13.7888 13.8669 13.8669 15.2843 15.2843 15.3360 15.3360 15.3784 15.3784 16.3545 16.3545 k = 0.0000 0.4091-0.0000 ( 2566 PWs) bands (ev): -42.7039 -42.7039 -42.6957 -42.6957 -20.3227 -20.3227 -20.2628 -20.2628 -18.4050 -18.4050 -18.2993 -18.2993 -18.0975 -18.0975 -18.0551 -18.0551 -6.4860 -6.4860 -6.2165 -6.2165 -5.6422 -5.6422 -5.5226 -5.5226 5.8405 5.8405 5.9703 5.9703 6.8154 6.8154 7.0230 7.0230 7.0342 7.0342 7.4383 7.4383 7.5014 7.5014 7.9677 7.9677 9.1551 9.1551 9.3624 9.3624 9.7961 9.7961 10.1259 10.1259 13.8098 13.8098 13.8791 13.8791 15.3125 15.3125 15.3566 15.3566 15.4415 15.4415 16.2846 16.2846 k = 0.0000 0.4242-0.0000 ( 2566 PWs) bands (ev): -42.7033 -42.7033 -42.6963 -42.6963 -20.3178 -20.3178 -20.2677 -20.2677 -18.3965 -18.3965 -18.3081 -18.3081 -18.0942 -18.0942 -18.0587 -18.0587 -6.4526 -6.4526 -6.2203 -6.2203 -5.6526 -5.6526 -5.5461 -5.5461 5.8885 5.8885 6.0007 6.0007 6.8988 6.8988 7.0267 7.0267 7.0364 7.0364 7.3972 7.3972 7.4523 7.4523 7.8662 7.8662 9.1634 9.1634 9.3369 9.3369 9.8177 9.8177 10.0948 10.0948 13.8289 13.8289 13.8883 13.8883 15.3361 15.3361 15.3729 15.3729 15.5083 15.5083 16.2143 16.2143 k = 0.0000 0.4394-0.0000 ( 2564 PWs) bands (ev): -42.7027 -42.7027 -42.6969 -42.6969 -20.3129 -20.3129 -20.2727 -20.2727 -18.3880 -18.3880 -18.3169 -18.3169 -18.0908 -18.0908 -18.0623 -18.0623 -6.4197 -6.4197 -6.2284 -6.2284 -5.6586 -5.6586 -5.5684 -5.5684 5.9324 5.9324 6.0253 6.0253 6.9839 6.9839 7.0301 7.0301 7.0382 7.0382 7.3616 7.3616 7.4099 7.4099 7.7658 7.7658 9.1734 9.1734 9.3126 9.3126 9.8407 9.8407 10.0640 10.0640 13.8459 13.8459 13.8946 13.8946 15.3560 15.3560 15.3856 15.3856 15.5770 15.5770 16.1435 16.1435 k = 0.0000 0.4545-0.0000 ( 2558 PWs) bands (ev): -42.7019 -42.7019 -42.6975 -42.6975 -20.3080 -20.3080 -20.2777 -20.2777 -18.3793 -18.3793 -18.3258 -18.3258 -18.0873 -18.0873 -18.0659 -18.0659 -6.3878 -6.3878 -6.2408 -6.2408 -5.6600 -5.6600 -5.5893 -5.5893 5.9713 5.9713 6.0430 6.0430 7.0329 7.0329 7.0391 7.0391 7.0701 7.0701 7.3324 7.3324 7.3761 7.3761 7.6670 7.6670 9.1850 9.1850 9.2897 9.2897 9.8652 9.8652 10.0335 10.0335 13.8608 13.8608 13.8979 13.8979 15.3723 15.3723 15.3947 15.3947 15.6467 15.6467 16.0725 16.0725 k = 0.0000 0.4697-0.0000 ( 2558 PWs) bands (ev): -42.7010 -42.7010 -42.6984 -42.6984 -20.3030 -20.3030 -20.2827 -20.2827 -18.3705 -18.3705 -18.3348 -18.3348 -18.0838 -18.0838 -18.0695 -18.0695 -6.3571 -6.3571 -6.2574 -6.2574 -5.6570 -5.6570 -5.6083 -5.6083 6.0039 6.0039 6.0527 6.0527 7.0354 7.0354 7.0396 7.0396 7.1543 7.1543 7.3097 7.3097 7.3546 7.3546 7.5706 7.5706 9.1983 9.1983 9.2683 9.2683 9.8909 9.8909 10.0035 10.0035 13.8733 13.8733 13.8984 13.8984 15.3851 15.3851 15.4001 15.4001 15.7170 15.7170 16.0013 16.0013 k = 0.0000 0.4848-0.0000 ( 2558 PWs) bands (ev): -42.7004 -42.7004 -42.6990 -42.6990 -20.2979 -20.2979 -20.2878 -20.2878 -18.3616 -18.3616 -18.3437 -18.3437 -18.0803 -18.0803 -18.0731 -18.0731 -6.3283 -6.3283 -6.2779 -6.2779 -5.6499 -5.6499 -5.6250 -5.6250 6.0291 6.0291 6.0538 6.0538 7.0373 7.0373 7.0394 7.0394 7.2284 7.2284 7.2919 7.2919 7.3553 7.3553 7.4788 7.4788 9.2133 9.2133 9.2483 9.2483 9.9177 9.9177 9.9741 9.9741 13.8835 13.8835 13.8961 13.8961 15.3943 15.3943 15.4019 15.4019 15.7878 15.7878 15.9300 15.9300 k = 0.0000 0.5000-0.0000 ( 2556 PWs) bands (ev): -42.6997 -42.6997 -42.6997 -42.6997 -20.2929 -20.2929 -20.2929 -20.2929 -18.3527 -18.3527 -18.3527 -18.3527 -18.0767 -18.0767 -18.0767 -18.0767 -6.3017 -6.3017 -6.3017 -6.3017 -5.6390 -5.6390 -5.6390 -5.6390 6.0459 6.0459 6.0459 6.0459 7.0387 7.0387 7.0387 7.0387 7.2720 7.2720 7.2720 7.2720 7.3993 7.3993 7.3993 7.3993 9.2300 9.2300 9.2300 9.2300 9.9455 9.9455 9.9455 9.9455 13.8911 13.8911 13.8911 13.8911 15.3999 15.3999 15.3999 15.3999 15.8588 15.8588 15.8588 15.8588 k = 0.0000 0.5000-0.0000 ( 2556 PWs) bands (ev): -42.6997 -42.6997 -42.6997 -42.6997 -20.2929 -20.2929 -20.2929 -20.2929 -18.3527 -18.3527 -18.3527 -18.3527 -18.0767 -18.0767 -18.0767 -18.0767 -6.3017 -6.3017 -6.3017 -6.3017 -5.6390 -5.6390 -5.6390 -5.6390 6.0459 6.0459 6.0459 6.0459 7.0387 7.0387 7.0387 7.0387 7.2720 7.2720 7.2720 7.2720 7.3993 7.3993 7.3993 7.3993 9.2300 9.2300 9.2300 9.2300 9.9455 9.9455 9.9455 9.9455 13.8911 13.8911 13.8911 13.8911 15.3999 15.3999 15.3999 15.3999 15.8588 15.8588 15.8588 15.8588 k = 0.0152 0.5000-0.0000 ( 2558 PWs) bands (ev): -42.6997 -42.6997 -42.6997 -42.6997 -20.2929 -20.2929 -20.2929 -20.2929 -18.3528 -18.3528 -18.3528 -18.3528 -18.0766 -18.0766 -18.0766 -18.0766 -6.3031 -6.3031 -6.3031 -6.3031 -5.6374 -5.6374 -5.6374 -5.6374 6.0416 6.0416 6.0416 6.0416 7.0382 7.0382 7.0382 7.0382 7.2661 7.2661 7.2661 7.2661 7.4117 7.4117 7.4117 7.4117 9.2310 9.2310 9.2310 9.2310 9.9436 9.9436 9.9436 9.9436 13.8896 13.8896 13.8896 13.8896 15.3983 15.3983 15.3983 15.3983 15.8595 15.8595 15.8595 15.8595 k = 0.0303 0.5000-0.0000 ( 2562 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2930 -20.2930 -20.2930 -20.2930 -18.3530 -18.3530 -18.3530 -18.3530 -18.0763 -18.0763 -18.0763 -18.0763 -6.3073 -6.3073 -6.3073 -6.3073 -5.6326 -5.6326 -5.6326 -5.6326 6.0288 6.0288 6.0288 6.0288 7.0368 7.0368 7.0368 7.0368 7.2535 7.2535 7.2535 7.2535 7.4436 7.4436 7.4436 7.4436 9.2338 9.2338 9.2338 9.2338 9.9380 9.9380 9.9380 9.9380 13.8852 13.8852 13.8852 13.8852 15.3933 15.3933 15.3933 15.3933 15.8617 15.8617 15.8617 15.8617 k = 0.0455 0.5000-0.0000 ( 2562 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2931 -20.2931 -20.2931 -20.2931 -18.3533 -18.3533 -18.3533 -18.3533 -18.0758 -18.0758 -18.0758 -18.0758 -6.3143 -6.3143 -6.3143 -6.3143 -5.6247 -5.6247 -5.6247 -5.6247 6.0081 6.0081 6.0081 6.0081 7.0345 7.0345 7.0345 7.0345 7.2411 7.2411 7.2411 7.2411 7.4875 7.4875 7.4875 7.4875 9.2385 9.2385 9.2385 9.2385 9.9286 9.9286 9.9286 9.9286 13.8778 13.8778 13.8778 13.8778 15.3851 15.3851 15.3851 15.3851 15.8653 15.8653 15.8653 15.8653 k = 0.0606 0.5000-0.0000 ( 2560 PWs) bands (ev): -42.6997 -42.6997 -42.6997 -42.6997 -20.2933 -20.2933 -20.2933 -20.2933 -18.3538 -18.3538 -18.3538 -18.3538 -18.0750 -18.0750 -18.0750 -18.0750 -6.3236 -6.3236 -6.3236 -6.3236 -5.6140 -5.6140 -5.6140 -5.6140 5.9803 5.9803 5.9803 5.9803 7.0314 7.0314 7.0314 7.0314 7.2321 7.2321 7.2321 7.2321 7.5395 7.5395 7.5395 7.5395 9.2451 9.2451 9.2451 9.2451 9.9157 9.9157 9.9157 9.9157 13.8675 13.8675 13.8675 13.8675 15.3738 15.3738 15.3738 15.3738 15.8702 15.8702 15.8702 15.8702 k = 0.0758 0.5000-0.0000 ( 2568 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2935 -20.2935 -20.2935 -20.2935 -18.3544 -18.3544 -18.3544 -18.3544 -18.0741 -18.0741 -18.0741 -18.0741 -6.3351 -6.3351 -6.3351 -6.3351 -5.6008 -5.6008 -5.6008 -5.6008 5.9463 5.9463 5.9463 5.9463 7.0273 7.0273 7.0273 7.0273 7.2274 7.2274 7.2274 7.2274 7.5974 7.5974 7.5974 7.5974 9.2534 9.2534 9.2534 9.2534 9.8992 9.8992 9.8992 9.8992 13.8542 13.8542 13.8542 13.8542 15.3593 15.3593 15.3593 15.3593 15.8765 15.8765 15.8765 15.8765 k = 0.0909 0.5000-0.0000 ( 2564 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2937 -20.2937 -20.2937 -20.2937 -18.3551 -18.3551 -18.3551 -18.3551 -18.0730 -18.0730 -18.0730 -18.0730 -6.3483 -6.3483 -6.3483 -6.3483 -5.5855 -5.5855 -5.5855 -5.5855 5.9073 5.9073 5.9073 5.9073 7.0226 7.0226 7.0226 7.0226 7.2272 7.2272 7.2272 7.2272 7.6600 7.6600 7.6600 7.6600 9.2633 9.2633 9.2633 9.2633 9.8793 9.8793 9.8793 9.8793 13.8382 13.8382 13.8382 13.8382 15.3421 15.3421 15.3421 15.3421 15.8841 15.8841 15.8841 15.8841 k = 0.1061 0.5000-0.0000 ( 2568 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2940 -20.2940 -20.2940 -20.2940 -18.3560 -18.3560 -18.3560 -18.3560 -18.0717 -18.0717 -18.0717 -18.0717 -6.3631 -6.3631 -6.3631 -6.3631 -5.5683 -5.5683 -5.5683 -5.5683 5.8642 5.8642 5.8642 5.8642 7.0170 7.0170 7.0170 7.0170 7.2315 7.2315 7.2315 7.2315 7.7263 7.7263 7.7263 7.7263 9.2749 9.2749 9.2749 9.2749 9.8561 9.8561 9.8561 9.8561 13.8193 13.8193 13.8193 13.8193 15.3222 15.3222 15.3222 15.3222 15.8928 15.8928 15.8928 15.8928 k = 0.1212 0.5000-0.0000 ( 2570 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.2944 -20.2944 -20.2944 -20.2944 -18.3569 -18.3569 -18.3569 -18.3569 -18.0703 -18.0703 -18.0703 -18.0703 -6.3791 -6.3791 -6.3791 -6.3791 -5.5496 -5.5496 -5.5496 -5.5496 5.8180 5.8180 5.8180 5.8180 7.0109 7.0109 7.0109 7.0109 7.2399 7.2399 7.2399 7.2399 7.7954 7.7954 7.7954 7.7954 9.2879 9.2879 9.2879 9.2879 9.8299 9.8299 9.8299 9.8299 13.7977 13.7977 13.7977 13.7977 15.2999 15.2999 15.2999 15.2999 15.9027 15.9027 15.9027 15.9027 k = 0.1364 0.5000-0.0000 ( 2566 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2947 -20.2947 -20.2947 -20.2947 -18.3579 -18.3579 -18.3579 -18.3579 -18.0687 -18.0687 -18.0687 -18.0687 -6.3959 -6.3959 -6.3959 -6.3959 -5.5297 -5.5297 -5.5297 -5.5297 5.7695 5.7695 5.7695 5.7695 7.0041 7.0041 7.0041 7.0041 7.2521 7.2521 7.2521 7.2521 7.8666 7.8666 7.8666 7.8666 9.3022 9.3022 9.3022 9.3022 9.8010 9.8010 9.8010 9.8010 13.7735 13.7735 13.7735 13.7735 15.2754 15.2754 15.2754 15.2754 15.9135 15.9135 15.9135 15.9135 k = 0.1515 0.5000-0.0000 ( 2562 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2951 -20.2951 -20.2951 -20.2951 -18.3590 -18.3590 -18.3590 -18.3590 -18.0670 -18.0670 -18.0670 -18.0670 -6.4134 -6.4134 -6.4134 -6.4134 -5.5089 -5.5089 -5.5089 -5.5089 5.7195 5.7195 5.7195 5.7195 6.9969 6.9969 6.9969 6.9969 7.2679 7.2679 7.2679 7.2679 7.9393 7.9393 7.9393 7.9393 9.3178 9.3178 9.3178 9.3178 9.7694 9.7694 9.7694 9.7694 13.7468 13.7468 13.7468 13.7468 15.2489 15.2489 15.2489 15.2489 15.9252 15.9252 15.9252 15.9252 k = 0.1667 0.5000-0.0000 ( 2568 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2956 -20.2956 -20.2956 -20.2956 -18.3601 -18.3601 -18.3601 -18.3601 -18.0652 -18.0652 -18.0652 -18.0652 -6.4313 -6.4313 -6.4313 -6.4313 -5.4875 -5.4875 -5.4875 -5.4875 5.6687 5.6687 5.6687 5.6687 6.9892 6.9892 6.9892 6.9892 7.2871 7.2871 7.2871 7.2871 8.0126 8.0126 8.0126 8.0126 9.3344 9.3344 9.3344 9.3344 9.7356 9.7356 9.7356 9.7356 13.7177 13.7177 13.7177 13.7177 15.2207 15.2207 15.2207 15.2207 15.9377 15.9377 15.9377 15.9377 k = 0.1818 0.5000-0.0000 ( 2568 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2960 -20.2960 -20.2960 -20.2960 -18.3613 -18.3613 -18.3613 -18.3613 -18.0633 -18.0633 -18.0633 -18.0633 -6.4494 -6.4494 -6.4494 -6.4494 -5.4657 -5.4657 -5.4657 -5.4657 5.6176 5.6176 5.6176 5.6176 6.9812 6.9812 6.9812 6.9812 7.3093 7.3093 7.3093 7.3093 8.0861 8.0861 8.0861 8.0861 9.3519 9.3519 9.3519 9.3519 9.7000 9.7000 9.7000 9.7000 13.6863 13.6863 13.6863 13.6863 15.1912 15.1912 15.1912 15.1912 15.9507 15.9507 15.9507 15.9507 k = 0.1970 0.5000-0.0000 ( 2566 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2965 -20.2965 -20.2965 -20.2965 -18.3626 -18.3626 -18.3626 -18.3626 -18.0614 -18.0614 -18.0614 -18.0614 -6.4675 -6.4675 -6.4675 -6.4675 -5.4437 -5.4437 -5.4437 -5.4437 5.5668 5.5668 5.5668 5.5668 6.9729 6.9729 6.9729 6.9729 7.3344 7.3344 7.3344 7.3344 8.1590 8.1590 8.1590 8.1590 9.3702 9.3702 9.3702 9.3702 9.6628 9.6628 9.6628 9.6628 13.6528 13.6528 13.6528 13.6528 15.1606 15.1606 15.1606 15.1606 15.9642 15.9642 15.9642 15.9642 k = 0.2121 0.5000-0.0000 ( 2570 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.2970 -20.2970 -20.2970 -20.2970 -18.3638 -18.3638 -18.3638 -18.3638 -18.0594 -18.0594 -18.0594 -18.0594 -6.4854 -6.4854 -6.4854 -6.4854 -5.4217 -5.4217 -5.4217 -5.4217 5.5166 5.5166 5.5166 5.5166 6.9645 6.9645 6.9645 6.9645 7.3623 7.3623 7.3623 7.3623 8.2306 8.2306 8.2306 8.2306 9.3889 9.3889 9.3889 9.3889 9.6248 9.6248 9.6248 9.6248 13.6175 13.6175 13.6175 13.6175 15.1292 15.1292 15.1292 15.1292 15.9780 15.9780 15.9780 15.9780 k = 0.2273 0.5000-0.0000 ( 2570 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.2975 -20.2975 -20.2975 -20.2975 -18.3651 -18.3651 -18.3651 -18.3651 -18.0573 -18.0573 -18.0573 -18.0573 -6.5031 -6.5031 -6.5031 -6.5031 -5.3999 -5.3999 -5.3999 -5.3999 5.4674 5.4674 5.4674 5.4674 6.9559 6.9559 6.9559 6.9559 7.3927 7.3927 7.3927 7.3927 8.3000 8.3000 8.3000 8.3000 9.4079 9.4079 9.4079 9.4079 9.5865 9.5865 9.5865 9.5865 13.5805 13.5805 13.5805 13.5805 15.0972 15.0972 15.0972 15.0972 15.9920 15.9920 15.9920 15.9920 k = 0.2424 0.5000-0.0000 ( 2570 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.2980 -20.2980 -20.2980 -20.2980 -18.3664 -18.3664 -18.3664 -18.3664 -18.0553 -18.0553 -18.0553 -18.0553 -6.5203 -6.5203 -6.5203 -6.5203 -5.3784 -5.3784 -5.3784 -5.3784 5.4195 5.4195 5.4195 5.4195 6.9474 6.9474 6.9474 6.9474 7.4255 7.4255 7.4255 7.4255 8.3665 8.3665 8.3665 8.3665 9.4267 9.4267 9.4267 9.4267 9.5489 9.5489 9.5489 9.5489 13.5422 13.5422 13.5422 13.5422 15.0651 15.0651 15.0651 15.0651 16.0060 16.0060 16.0060 16.0060 k = 0.2576 0.5000-0.0000 ( 2578 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.2985 -20.2985 -20.2985 -20.2985 -18.3676 -18.3676 -18.3676 -18.3676 -18.0532 -18.0532 -18.0532 -18.0532 -6.5370 -6.5370 -6.5370 -6.5370 -5.3575 -5.3575 -5.3575 -5.3575 5.3732 5.3732 5.3732 5.3732 6.9389 6.9389 6.9389 6.9389 7.4607 7.4607 7.4607 7.4607 8.4288 8.4288 8.4288 8.4288 9.4442 9.4442 9.4442 9.4442 9.5139 9.5139 9.5139 9.5139 13.5027 13.5027 13.5027 13.5027 15.0330 15.0330 15.0330 15.0330 16.0198 16.0198 16.0198 16.0198 k = 0.2727 0.5000-0.0000 ( 2582 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.2990 -20.2990 -20.2990 -20.2990 -18.3689 -18.3689 -18.3689 -18.3689 -18.0512 -18.0512 -18.0512 -18.0512 -6.5530 -6.5530 -6.5530 -6.5530 -5.3372 -5.3372 -5.3372 -5.3372 5.3287 5.3287 5.3287 5.3287 6.9305 6.9305 6.9305 6.9305 7.4981 7.4981 7.4981 7.4981 8.4858 8.4858 8.4858 8.4858 9.4530 9.4530 9.4530 9.4530 9.4898 9.4898 9.4898 9.4898 13.4625 13.4625 13.4625 13.4625 15.0013 15.0013 15.0013 15.0013 16.0334 16.0334 16.0334 16.0334 k = 0.2879 0.5000-0.0000 ( 2582 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.2995 -20.2995 -20.2995 -20.2995 -18.3701 -18.3701 -18.3701 -18.3701 -18.0493 -18.0493 -18.0493 -18.0493 -6.5684 -6.5684 -6.5684 -6.5684 -5.3176 -5.3176 -5.3176 -5.3176 5.2862 5.2862 5.2862 5.2862 6.9224 6.9224 6.9224 6.9224 7.5375 7.5375 7.5375 7.5375 8.5359 8.5359 8.5359 8.5359 9.4358 9.4358 9.4358 9.4358 9.4951 9.4951 9.4951 9.4951 13.4218 13.4218 13.4218 13.4218 14.9702 14.9702 14.9702 14.9702 16.0466 16.0466 16.0466 16.0466 k = 0.3030 0.5000-0.0000 ( 2594 PWs) bands (ev): -42.7001 -42.7001 -42.7001 -42.7001 -20.3000 -20.3000 -20.3000 -20.3000 -18.3713 -18.3713 -18.3713 -18.3713 -18.0474 -18.0474 -18.0474 -18.0474 -6.5830 -6.5830 -6.5830 -6.5830 -5.2989 -5.2989 -5.2989 -5.2989 5.2459 5.2459 5.2459 5.2459 6.9145 6.9145 6.9145 6.9145 7.5789 7.5789 7.5789 7.5789 8.5773 8.5773 8.5773 8.5773 9.4120 9.4120 9.4120 9.4120 9.5114 9.5114 9.5114 9.5114 13.3811 13.3811 13.3811 13.3811 14.9399 14.9399 14.9399 14.9399 16.0593 16.0593 16.0593 16.0593 k = 0.3182 0.5000-0.0000 ( 2584 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3005 -20.3005 -20.3005 -20.3005 -18.3724 -18.3724 -18.3724 -18.3724 -18.0455 -18.0455 -18.0455 -18.0455 -6.5967 -6.5967 -6.5967 -6.5967 -5.2812 -5.2812 -5.2812 -5.2812 5.2081 5.2081 5.2081 5.2081 6.9069 6.9069 6.9069 6.9069 7.6221 7.6221 7.6221 7.6221 8.6084 8.6084 8.6084 8.6084 9.3931 9.3931 9.3931 9.3931 9.5291 9.5291 9.5291 9.5291 13.3407 13.3407 13.3407 13.3407 14.9108 14.9108 14.9108 14.9108 16.0714 16.0714 16.0714 16.0714 k = 0.3333 0.5000-0.0000 ( 2586 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3009 -20.3009 -20.3009 -20.3009 -18.3734 -18.3734 -18.3734 -18.3734 -18.0438 -18.0438 -18.0438 -18.0438 -6.6095 -6.6095 -6.6095 -6.6095 -5.2645 -5.2645 -5.2645 -5.2645 5.1727 5.1727 5.1727 5.1727 6.8998 6.8998 6.8998 6.8998 7.6670 7.6670 7.6670 7.6670 8.6275 8.6275 8.6275 8.6275 9.3814 9.3814 9.3814 9.3814 9.5465 9.5465 9.5465 9.5465 13.3011 13.3011 13.3011 13.3011 14.8830 14.8830 14.8830 14.8830 16.0829 16.0829 16.0829 16.0829 k = 0.3485 0.5000-0.0000 ( 2586 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3014 -20.3014 -20.3014 -20.3014 -18.3744 -18.3744 -18.3744 -18.3744 -18.0422 -18.0422 -18.0422 -18.0422 -6.6214 -6.6214 -6.6214 -6.6214 -5.2490 -5.2490 -5.2490 -5.2490 5.1401 5.1401 5.1401 5.1401 6.8930 6.8930 6.8930 6.8930 7.7135 7.7135 7.7135 7.7135 8.6340 8.6340 8.6340 8.6340 9.3779 9.3779 9.3779 9.3779 9.5633 9.5633 9.5633 9.5633 13.2627 13.2627 13.2627 13.2627 14.8568 14.8568 14.8568 14.8568 16.0935 16.0935 16.0935 16.0935 k = 0.3636 0.5000-0.0000 ( 2584 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3017 -20.3017 -20.3017 -20.3017 -18.3753 -18.3753 -18.3753 -18.3753 -18.0406 -18.0406 -18.0406 -18.0406 -6.6323 -6.6323 -6.6323 -6.6323 -5.2347 -5.2347 -5.2347 -5.2347 5.1102 5.1102 5.1102 5.1102 6.8868 6.8868 6.8868 6.8868 7.7614 7.7614 7.7614 7.7614 8.6279 8.6279 8.6279 8.6279 9.3823 9.3823 9.3823 9.3823 9.5793 9.5793 9.5793 9.5793 13.2260 13.2260 13.2260 13.2260 14.8325 14.8325 14.8325 14.8325 16.1033 16.1033 16.1033 16.1033 k = 0.3788 0.5000-0.0000 ( 2580 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3021 -20.3021 -20.3021 -20.3021 -18.3761 -18.3761 -18.3761 -18.3761 -18.0392 -18.0392 -18.0392 -18.0392 -6.6421 -6.6421 -6.6421 -6.6421 -5.2218 -5.2218 -5.2218 -5.2218 5.0832 5.0832 5.0832 5.0832 6.8811 6.8811 6.8811 6.8811 7.8107 7.8107 7.8107 7.8107 8.6105 8.6105 8.6105 8.6105 9.3932 9.3932 9.3932 9.3932 9.5942 9.5942 9.5942 9.5942 13.1914 13.1914 13.1914 13.1914 14.8101 14.8101 14.8101 14.8101 16.1122 16.1122 16.1122 16.1122 k = 0.3939 0.5000-0.0000 ( 2576 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3024 -20.3024 -20.3024 -20.3024 -18.3769 -18.3769 -18.3769 -18.3769 -18.0380 -18.0380 -18.0380 -18.0380 -6.6508 -6.6508 -6.6508 -6.6508 -5.2102 -5.2102 -5.2102 -5.2102 5.0591 5.0591 5.0591 5.0591 6.8760 6.8760 6.8760 6.8760 7.8610 7.8610 7.8610 7.8610 8.5835 8.5835 8.5835 8.5835 9.4085 9.4085 9.4085 9.4085 9.6078 9.6078 9.6078 9.6078 13.1594 13.1594 13.1594 13.1594 14.7899 14.7899 14.7899 14.7899 16.1202 16.1202 16.1202 16.1202 k = 0.4091 0.5000-0.0000 ( 2576 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3027 -20.3027 -20.3027 -20.3027 -18.3775 -18.3775 -18.3775 -18.3775 -18.0369 -18.0369 -18.0369 -18.0369 -6.6585 -6.6585 -6.6585 -6.6585 -5.2000 -5.2000 -5.2000 -5.2000 5.0381 5.0381 5.0381 5.0381 6.8715 6.8715 6.8715 6.8715 7.9122 7.9122 7.9122 7.9122 8.5491 8.5491 8.5491 8.5491 9.4261 9.4261 9.4261 9.4261 9.6201 9.6201 9.6201 9.6201 13.1305 13.1305 13.1305 13.1305 14.7721 14.7721 14.7721 14.7721 16.1271 16.1271 16.1271 16.1271 k = 0.4242 0.5000-0.0000 ( 2580 PWs) bands (ev): -42.7000 -42.7000 -42.7000 -42.7000 -20.3030 -20.3030 -20.3030 -20.3030 -18.3781 -18.3781 -18.3781 -18.3781 -18.0359 -18.0359 -18.0359 -18.0359 -6.6650 -6.6650 -6.6650 -6.6650 -5.1913 -5.1913 -5.1913 -5.1913 5.0202 5.0202 5.0202 5.0202 6.8677 6.8677 6.8677 6.8677 7.9640 7.9640 7.9640 7.9640 8.5090 8.5090 8.5090 8.5090 9.4441 9.4441 9.4441 9.4441 9.6308 9.6308 9.6308 9.6308 13.1051 13.1051 13.1051 13.1051 14.7567 14.7567 14.7567 14.7567 16.1330 16.1330 16.1330 16.1330 k = 0.4394 0.5000-0.0000 ( 2576 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3032 -20.3032 -20.3032 -20.3032 -18.3785 -18.3785 -18.3785 -18.3785 -18.0351 -18.0351 -18.0351 -18.0351 -6.6703 -6.6703 -6.6703 -6.6703 -5.1842 -5.1842 -5.1842 -5.1842 5.0055 5.0055 5.0055 5.0055 6.8645 6.8645 6.8645 6.8645 8.0159 8.0159 8.0159 8.0159 8.4652 8.4652 8.4652 8.4652 9.4607 9.4607 9.4607 9.4607 9.6400 9.6400 9.6400 9.6400 13.0838 13.0838 13.0838 13.0838 14.7440 14.7440 14.7440 14.7440 16.1379 16.1379 16.1379 16.1379 k = 0.4545 0.5000-0.0000 ( 2576 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3034 -20.3034 -20.3034 -20.3034 -18.3789 -18.3789 -18.3789 -18.3789 -18.0345 -18.0345 -18.0345 -18.0345 -6.6745 -6.6745 -6.6745 -6.6745 -5.1786 -5.1786 -5.1786 -5.1786 4.9940 4.9940 4.9940 4.9940 6.8620 6.8620 6.8620 6.8620 8.0672 8.0672 8.0672 8.0672 8.4193 8.4193 8.4193 8.4193 9.4748 9.4748 9.4748 9.4748 9.6473 9.6473 9.6473 9.6473 13.0667 13.0667 13.0667 13.0667 14.7340 14.7340 14.7340 14.7340 16.1417 16.1417 16.1417 16.1417 k = 0.4697 0.5000-0.0000 ( 2572 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.3035 -20.3035 -20.3035 -20.3035 -18.3792 -18.3792 -18.3792 -18.3792 -18.0341 -18.0341 -18.0341 -18.0341 -6.6775 -6.6775 -6.6775 -6.6775 -5.1745 -5.1745 -5.1745 -5.1745 4.9858 4.9858 4.9858 4.9858 6.8602 6.8602 6.8602 6.8602 8.1160 8.1160 8.1160 8.1160 8.3738 8.3738 8.3738 8.3738 9.4854 9.4854 9.4854 9.4854 9.6526 9.6526 9.6526 9.6526 13.0543 13.0543 13.0543 13.0543 14.7269 14.7269 14.7269 14.7269 16.1444 16.1444 16.1444 16.1444 k = 0.4848 0.5000-0.0000 ( 2576 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3035 -20.3035 -20.3035 -20.3035 -18.3793 -18.3793 -18.3793 -18.3793 -18.0338 -18.0338 -18.0338 -18.0338 -6.6793 -6.6793 -6.6793 -6.6793 -5.1721 -5.1721 -5.1721 -5.1721 4.9809 4.9809 4.9809 4.9809 6.8591 6.8591 6.8591 6.8591 8.1575 8.1575 8.1575 8.1575 8.3342 8.3342 8.3342 8.3342 9.4920 9.4920 9.4920 9.4920 9.6559 9.6559 9.6559 9.6559 13.0467 13.0467 13.0467 13.0467 14.7225 14.7225 14.7225 14.7225 16.1460 16.1460 16.1460 16.1460 k = 0.5000 0.5000-0.0000 ( 2580 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3036 -20.3036 -20.3036 -20.3036 -18.3794 -18.3794 -18.3794 -18.3794 -18.0337 -18.0337 -18.0337 -18.0337 -6.6799 -6.6799 -6.6799 -6.6799 -5.1713 -5.1713 -5.1713 -5.1713 4.9792 4.9792 4.9792 4.9792 6.8588 6.8588 6.8588 6.8588 8.1766 8.1766 8.1766 8.1766 8.3156 8.3156 8.3156 8.3156 9.4942 9.4942 9.4942 9.4942 9.6570 9.6570 9.6570 9.6570 13.0442 13.0442 13.0442 13.0442 14.7210 14.7210 14.7210 14.7210 16.1466 16.1466 16.1466 16.1466 k = 0.5000 0.5000-0.0000 ( 2580 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3036 -20.3036 -20.3036 -20.3036 -18.3794 -18.3794 -18.3794 -18.3794 -18.0337 -18.0337 -18.0337 -18.0337 -6.6799 -6.6799 -6.6799 -6.6799 -5.1713 -5.1713 -5.1713 -5.1713 4.9792 4.9792 4.9792 4.9792 6.8588 6.8588 6.8588 6.8588 8.1766 8.1766 8.1766 8.1766 8.3156 8.3156 8.3156 8.3156 9.4942 9.4942 9.4942 9.4942 9.6570 9.6570 9.6570 9.6570 13.0442 13.0442 13.0442 13.0442 14.7210 14.7210 14.7210 14.7210 16.1466 16.1466 16.1466 16.1466 k = 0.4894 0.4894-0.0000 ( 2572 PWs) bands (ev): -42.6999 -42.6999 -42.6998 -42.6998 -20.3037 -20.3037 -20.3034 -20.3034 -18.3795 -18.3795 -18.3791 -18.3791 -18.0339 -18.0339 -18.0337 -18.0337 -6.6800 -6.6800 -6.6785 -6.6785 -5.1730 -5.1730 -5.1712 -5.1712 4.9792 4.9792 4.9825 4.9825 6.8588 6.8588 6.8594 6.8594 8.1422 8.1422 8.1765 8.1765 8.3160 8.3160 8.3487 8.3487 9.4884 9.4884 9.4956 9.4956 9.6549 9.6549 9.6569 9.6569 13.0444 13.0444 13.0490 13.0490 14.7210 14.7210 14.7240 14.7240 16.1444 16.1444 16.1477 16.1477 k = 0.4787 0.4787-0.0000 ( 2572 PWs) bands (ev): -42.6999 -42.6999 -42.6998 -42.6998 -20.3039 -20.3039 -20.3030 -20.3030 -18.3799 -18.3799 -18.3784 -18.3784 -18.0345 -18.0345 -18.0336 -18.0336 -6.6805 -6.6805 -6.6745 -6.6745 -5.1780 -5.1780 -5.1709 -5.1709 4.9792 4.9792 4.9923 4.9923 6.8590 6.8590 6.8613 6.8613 8.0758 8.0758 8.1760 8.1760 8.3171 8.3171 8.4109 8.4109 9.4712 9.4712 9.4996 9.4996 9.6488 9.6488 9.6567 9.6567 13.0450 13.0450 13.0632 13.0632 14.7208 14.7208 14.7327 14.7327 16.1379 16.1379 16.1510 16.1510 k = 0.4681 0.4681-0.0000 ( 2574 PWs) bands (ev): -42.7001 -42.7001 -42.6997 -42.6997 -20.3044 -20.3044 -20.3023 -20.3023 -18.3806 -18.3806 -18.3772 -18.3772 -18.0355 -18.0355 -18.0335 -18.0335 -6.6814 -6.6814 -6.6678 -6.6678 -5.1863 -5.1863 -5.1705 -5.1705 4.9791 4.9791 5.0085 5.0085 6.8594 6.8594 6.8645 6.8645 8.0015 8.0015 8.1750 8.1750 8.3189 8.3189 8.4783 8.4783 9.4428 9.4428 9.5063 9.5063 9.6391 9.6391 9.6566 9.6566 13.0459 13.0459 13.0863 13.0863 14.7205 14.7205 14.7470 14.7470 16.1271 16.1271 16.1565 16.1565 k = 0.4574 0.4574-0.0000 ( 2578 PWs) bands (ev): -42.7003 -42.7003 -42.6995 -42.6995 -20.3051 -20.3051 -20.3013 -20.3013 -18.3816 -18.3816 -18.3756 -18.3756 -18.0368 -18.0368 -18.0334 -18.0334 -6.6826 -6.6826 -6.6584 -6.6584 -5.1979 -5.1979 -5.1699 -5.1699 4.9790 4.9790 5.0311 5.0311 6.8599 6.8599 6.8689 6.8689 7.9241 7.9241 8.1733 8.1733 8.3215 8.3215 8.5459 8.5459 9.4040 9.4040 9.5154 9.5154 9.6263 9.6263 9.6568 9.6568 13.0473 13.0473 13.1174 13.1174 14.7202 14.7202 14.7667 14.7667 16.1120 16.1120 16.1642 16.1642 k = 0.4468 0.4468-0.0000 ( 2578 PWs) bands (ev): -42.7004 -42.7004 -42.6994 -42.6994 -20.3059 -20.3059 -20.3001 -20.3001 -18.3828 -18.3828 -18.3734 -18.3734 -18.0385 -18.0385 -18.0332 -18.0332 -6.6841 -6.6841 -6.6465 -6.6465 -5.2126 -5.2126 -5.1691 -5.1691 4.9789 4.9789 5.0599 5.0599 6.8605 6.8605 6.8745 6.8745 7.8453 7.8453 8.1704 8.1704 8.3247 8.3247 8.6121 8.6121 9.3561 9.3561 9.5265 9.5265 9.6112 9.6112 9.6574 9.6574 13.0490 13.0490 13.1557 13.1557 14.7197 14.7197 14.7916 14.7916 16.0927 16.0927 16.1741 16.1741 k = 0.4362 0.4362-0.0000 ( 2582 PWs) bands (ev): -42.7006 -42.7006 -42.6994 -42.6994 -20.3070 -20.3070 -20.2985 -20.2985 -18.3843 -18.3843 -18.3708 -18.3708 -18.0406 -18.0406 -18.0330 -18.0330 -6.6859 -6.6859 -6.6320 -6.6320 -5.2302 -5.2302 -5.1682 -5.1682 4.9788 4.9788 5.0948 5.0948 6.8612 6.8612 6.8812 6.8812 7.7657 7.7657 8.1658 8.1658 8.3286 8.3286 8.6761 8.6761 9.3006 9.3006 9.5377 9.5377 9.5958 9.5958 9.6587 9.6587 13.0510 13.0510 13.1998 13.1998 14.7190 14.7190 14.8212 14.8212 16.0694 16.0694 16.1862 16.1862 k = 0.4255 0.4255-0.0000 ( 2582 PWs) bands (ev): -42.7008 -42.7008 -42.6992 -42.6992 -20.3082 -20.3082 -20.2967 -20.2967 -18.3861 -18.3861 -18.3678 -18.3678 -18.0430 -18.0430 -18.0327 -18.0327 -6.6881 -6.6881 -6.6151 -6.6151 -5.2507 -5.2507 -5.1671 -5.1671 4.9787 4.9787 5.1355 5.1355 6.8621 6.8621 6.8889 6.8889 7.6856 7.6856 8.1586 8.1586 8.3331 8.3331 8.7376 8.7376 9.2397 9.2397 9.5417 9.5417 9.5875 9.5875 9.6610 9.6610 13.0534 13.0534 13.2486 13.2486 14.7183 14.7183 14.8550 14.8550 16.0422 16.0422 16.2004 16.2004 k = 0.4149 0.4149-0.0000 ( 2582 PWs) bands (ev): -42.7010 -42.7010 -42.6990 -42.6990 -20.3096 -20.3096 -20.2947 -20.2947 -18.3881 -18.3881 -18.3643 -18.3643 -18.0457 -18.0457 -18.0324 -18.0324 -6.6907 -6.6907 -6.5959 -6.5959 -5.2737 -5.2737 -5.1658 -5.1658 4.9785 4.9785 5.1819 5.1819 6.8631 6.8631 6.8975 6.8975 7.6054 7.6054 8.1479 8.1479 8.3382 8.3382 8.7963 8.7963 9.1757 9.1757 9.5289 9.5289 9.5955 9.5955 9.6650 9.6650 13.0561 13.0561 13.3008 13.3008 14.7175 14.7175 14.8925 14.8925 16.0112 16.0112 16.2168 16.2168 k = 0.4043 0.4043-0.0000 ( 2582 PWs) bands (ev): -42.7013 -42.7013 -42.6987 -42.6987 -20.3111 -20.3111 -20.2924 -20.2924 -18.3904 -18.3904 -18.3604 -18.3604 -18.0486 -18.0486 -18.0321 -18.0321 -6.6936 -6.6936 -6.5745 -6.5745 -5.2991 -5.2991 -5.1643 -5.1643 4.9783 4.9783 5.2335 5.2335 6.8642 6.8642 6.9070 6.9070 7.5252 7.5252 8.1323 8.1323 8.3439 8.3439 8.8520 8.8520 9.1112 9.1112 9.5064 9.5064 9.6115 9.6115 9.6723 9.6723 13.0590 13.0590 13.3553 13.3553 14.7167 14.7167 14.9330 14.9330 15.9766 15.9766 16.2354 16.2354 k = 0.3936 0.3936-0.0000 ( 2582 PWs) bands (ev): -42.7015 -42.7015 -42.6985 -42.6985 -20.3128 -20.3128 -20.2899 -20.2899 -18.3930 -18.3930 -18.3561 -18.3561 -18.0518 -18.0518 -18.0317 -18.0317 -6.6969 -6.6969 -6.5510 -6.5510 -5.3266 -5.3266 -5.1628 -5.1628 4.9781 4.9781 5.2901 5.2901 6.8655 6.8655 6.9171 6.9171 7.4453 7.4453 8.1105 8.1105 8.3500 8.3500 8.9045 8.9045 9.0489 9.0489 9.4803 9.4803 9.6267 9.6267 9.6859 9.6859 13.0622 13.0622 13.4109 13.4109 14.7157 14.7157 14.9760 14.9760 15.9385 15.9385 16.2561 16.2561 k = 0.3830 0.3830-0.0000 ( 2580 PWs) bands (ev): -42.7018 -42.7018 -42.6981 -42.6981 -20.3147 -20.3147 -20.2872 -20.2872 -18.3958 -18.3958 -18.3513 -18.3513 -18.0553 -18.0553 -18.0313 -18.0313 -6.7006 -6.7006 -6.5257 -6.5257 -5.3559 -5.3559 -5.1610 -5.1610 4.9779 4.9779 5.3512 5.3512 6.8668 6.8668 6.9278 6.9278 7.3658 7.3658 8.0807 8.0807 8.3566 8.3566 8.9529 8.9529 8.9927 8.9927 9.4523 9.4523 9.6374 9.6374 9.7080 9.7080 13.0656 13.0656 13.4665 13.4665 14.7146 14.7146 15.0206 15.0206 15.8971 15.8971 16.2790 16.2790 k = 0.3723 0.3723-0.0000 ( 2584 PWs) bands (ev): -42.7021 -42.7021 -42.6980 -42.6980 -20.3168 -20.3168 -20.2843 -20.2843 -18.3989 -18.3989 -18.3462 -18.3462 -18.0589 -18.0589 -18.0308 -18.0308 -6.7047 -6.7047 -6.4987 -6.4987 -5.3867 -5.3867 -5.1591 -5.1591 4.9776 4.9776 5.4165 5.4165 6.8682 6.8682 6.9389 6.9389 7.2870 7.2870 8.0418 8.0418 8.3637 8.3637 8.9399 8.9399 9.0025 9.0025 9.4235 9.4235 9.6441 9.6441 9.7373 9.7373 13.0692 13.0692 13.5213 13.5213 14.7134 14.7134 15.0661 15.0661 15.8527 15.8527 16.3039 16.3039 k = 0.3617 0.3617-0.0000 ( 2586 PWs) bands (ev): -42.7026 -42.7026 -42.6975 -42.6975 -20.3189 -20.3189 -20.2812 -20.2812 -18.4022 -18.4022 -18.3408 -18.3408 -18.0627 -18.0627 -18.0303 -18.0303 -6.7091 -6.7091 -6.4702 -6.4702 -5.4186 -5.4186 -5.1571 -5.1571 4.9773 4.9773 5.4852 5.4852 6.8698 6.8698 6.9503 6.9503 7.2088 7.2088 7.9928 7.9928 8.3710 8.3710 8.8998 8.8998 9.0459 9.0459 9.3943 9.3943 9.6488 9.6488 9.7715 9.7715 13.0730 13.0730 13.5744 13.5744 14.7122 14.7122 15.1117 15.1117 15.8055 15.8055 16.3309 16.3309 k = 0.3511 0.3511-0.0000 ( 2590 PWs) bands (ev): -42.7029 -42.7029 -42.6973 -42.6973 -20.3213 -20.3213 -20.2780 -20.2780 -18.4058 -18.4058 -18.3350 -18.3350 -18.0666 -18.0666 -18.0297 -18.0297 -6.7140 -6.7140 -6.4407 -6.4407 -5.4512 -5.4512 -5.1550 -5.1550 4.9770 4.9770 5.5569 5.5569 6.8714 6.8714 6.9617 6.9617 7.1315 7.1315 7.9341 7.9341 8.3787 8.3787 8.8696 8.8696 9.0872 9.0872 9.3653 9.3653 9.6525 9.6525 9.8089 9.8089 13.0769 13.0769 13.6250 13.6250 14.7109 14.7109 15.1566 15.1566 15.7557 15.7557 16.3598 16.3598 k = 0.3404 0.3404-0.0000 ( 2586 PWs) bands (ev): -42.7033 -42.7033 -42.6968 -42.6968 -20.3237 -20.3237 -20.2746 -20.2746 -18.4097 -18.4097 -18.3289 -18.3289 -18.0706 -18.0706 -18.0291 -18.0291 -6.7193 -6.7193 -6.4104 -6.4104 -5.4839 -5.4839 -5.1527 -5.1527 4.9766 4.9766 5.6306 5.6306 6.8731 6.8731 6.9730 6.9730 7.0553 7.0553 7.8668 7.8668 8.3867 8.3867 8.8497 8.8497 9.1262 9.1262 9.3371 9.3371 9.6560 9.6560 9.8485 9.8485 13.0809 13.0809 13.6726 13.6726 14.7096 14.7096 15.2000 15.2000 15.7035 15.7035 16.3908 16.3908 k = 0.3298 0.3298-0.0000 ( 2584 PWs) bands (ev): -42.7038 -42.7038 -42.6963 -42.6963 -20.3263 -20.3263 -20.2710 -20.2710 -18.4137 -18.4137 -18.3225 -18.3225 -18.0747 -18.0747 -18.0285 -18.0285 -6.7251 -6.7251 -6.3798 -6.3798 -5.5162 -5.5162 -5.1503 -5.1503 4.9762 4.9762 5.7054 5.7054 6.8749 6.8749 6.9799 6.9799 6.9843 6.9843 7.7930 7.7930 8.3948 8.3948 8.8393 8.8393 9.1630 9.1630 9.3104 9.3104 9.6594 9.6594 9.8897 9.8897 13.0850 13.0850 13.7165 13.7165 14.7082 14.7082 15.2409 15.2409 15.6493 15.6493 16.4236 16.4236 k = 0.3191 0.3191-0.0000 ( 2580 PWs) bands (ev): -42.7042 -42.7042 -42.6958 -42.6958 -20.3289 -20.3289 -20.2674 -20.2674 -18.4180 -18.4180 -18.3158 -18.3158 -18.0787 -18.0787 -18.0278 -18.0278 -6.7314 -6.7314 -6.3494 -6.3494 -5.5475 -5.5475 -5.1478 -5.1478 4.9758 4.9758 5.7801 5.7801 6.8767 6.8767 6.9063 6.9063 6.9945 6.9945 7.7152 7.7152 8.4031 8.4031 8.8373 8.8373 9.1968 9.1968 9.2865 9.2865 9.6630 9.6630 9.9319 9.9319 13.0891 13.0891 13.7563 13.7563 14.7067 14.7067 15.2785 15.2785 15.5934 15.5934 16.4582 16.4582 k = 0.3085 0.3085-0.0000 ( 2570 PWs) bands (ev): -42.7045 -42.7045 -42.6952 -42.6952 -20.3317 -20.3317 -20.2636 -20.2636 -18.4224 -18.4224 -18.3089 -18.3089 -18.0828 -18.0828 -18.0270 -18.0270 -6.7381 -6.7381 -6.3200 -6.3200 -5.5770 -5.5770 -5.1452 -5.1452 4.9753 4.9753 5.8531 5.8531 6.8336 6.8336 6.8788 6.8788 7.0044 7.0044 7.6365 7.6365 8.4115 8.4115 8.8426 8.8426 9.2222 9.2222 9.2714 9.2714 9.6669 9.6669 9.9746 9.9746 13.0932 13.0932 13.7915 13.7915 14.7052 14.7052 15.3116 15.3116 15.5364 15.5364 16.4946 16.4946 k = 0.2979 0.2979-0.0000 ( 2570 PWs) bands (ev): -42.7050 -42.7050 -42.6948 -42.6948 -20.3346 -20.3346 -20.2597 -20.2597 -18.4270 -18.4270 -18.3018 -18.3018 -18.0869 -18.0869 -18.0262 -18.0262 -6.7454 -6.7454 -6.2923 -6.2923 -5.6036 -5.6036 -5.1425 -5.1425 4.9747 4.9747 5.9223 5.9223 6.7625 6.7625 6.8807 6.8807 7.0134 7.0134 7.5602 7.5602 8.4199 8.4199 8.8540 8.8540 9.2218 9.2218 9.2833 9.2833 9.6712 9.6712 10.0173 10.0173 13.0973 13.0973 13.8219 13.8219 14.7037 14.7037 15.3385 15.3385 15.4793 15.4793 16.5326 16.5326 k = 0.2872 0.2872-0.0000 ( 2566 PWs) bands (ev): -42.7053 -42.7053 -42.6944 -42.6944 -20.3375 -20.3375 -20.2558 -20.2558 -18.4319 -18.4319 -18.2945 -18.2945 -18.0909 -18.0909 -18.0254 -18.0254 -6.7533 -6.7533 -6.2673 -6.2673 -5.6264 -5.6264 -5.1398 -5.1398 4.9741 4.9741 5.9852 5.9852 6.6930 6.6930 6.8827 6.8827 7.0213 7.0213 7.4899 7.4899 8.4283 8.4283 8.8705 8.8705 9.2062 9.2062 9.3118 9.3118 9.6759 9.6759 10.0598 10.0598 13.1014 13.1014 13.8472 13.8472 14.7021 14.7021 15.3540 15.3540 15.4271 15.4271 16.5721 16.5721 k = 0.2766 0.2766-0.0000 ( 2574 PWs) bands (ev): -42.7060 -42.7060 -42.6939 -42.6939 -20.3405 -20.3405 -20.2519 -20.2519 -18.4368 -18.4368 -18.2871 -18.2871 -18.0949 -18.0949 -18.0245 -18.0245 -6.7617 -6.7617 -6.2462 -6.2462 -5.6441 -5.6441 -5.1369 -5.1369 4.9735 4.9735 6.0384 6.0384 6.6252 6.6252 6.8848 6.8848 7.0281 7.0281 7.4296 7.4296 8.4367 8.4367 8.8915 8.8915 9.1896 9.1896 9.3432 9.3432 9.6812 9.6812 10.1018 10.1018 13.1053 13.1053 13.8670 13.8670 14.7004 14.7004 15.3335 15.3335 15.4039 15.4039 16.6130 16.6130 k = 0.2660 0.2660-0.0000 ( 2576 PWs) bands (ev): -42.7064 -42.7064 -42.6936 -42.6936 -20.3436 -20.3436 -20.2479 -20.2479 -18.4419 -18.4419 -18.2797 -18.2797 -18.0987 -18.0987 -18.0236 -18.0236 -6.7708 -6.7708 -6.2300 -6.2300 -5.6556 -5.6556 -5.1339 -5.1339 4.9728 4.9728 6.0784 6.0784 6.5592 6.5592 6.8868 6.8868 7.0336 7.0336 7.3837 7.3837 8.4450 8.4450 8.9163 8.9163 9.1748 9.1748 9.3751 9.3751 9.6871 9.6871 10.1429 10.1429 13.1092 13.1092 13.8813 13.8813 14.6988 14.6988 15.2800 15.2800 15.4068 15.4068 16.6552 16.6552 k = 0.2553 0.2553-0.0000 ( 2584 PWs) bands (ev): -42.7068 -42.7068 -42.6933 -42.6933 -20.3468 -20.3468 -20.2439 -20.2439 -18.4471 -18.4471 -18.2721 -18.2721 -18.1025 -18.1025 -18.0226 -18.0226 -6.7806 -6.7806 -6.2197 -6.2197 -5.6599 -5.6599 -5.1309 -5.1309 4.9720 4.9720 6.1014 6.1014 6.4950 6.4950 6.8889 6.8889 7.0377 7.0377 7.3561 7.3561 8.4531 8.4531 8.9445 8.9445 9.1622 9.1622 9.4071 9.4071 9.6937 9.6937 10.1830 10.1830 13.1129 13.1129 13.8900 13.8900 14.6971 14.6971 15.2196 15.2196 15.4093 15.4093 16.6985 16.6985 k = 0.2447 0.2447-0.0000 ( 2578 PWs) bands (ev): -42.7071 -42.7071 -42.6929 -42.6929 -20.3499 -20.3499 -20.2399 -20.2399 -18.4523 -18.4523 -18.2646 -18.2646 -18.1061 -18.1061 -18.0215 -18.0215 -6.7910 -6.7910 -6.2157 -6.2157 -5.6564 -5.6564 -5.1278 -5.1278 4.9711 4.9711 6.1051 6.1051 6.4327 6.4327 6.8910 6.8910 7.0402 7.0402 7.3498 7.3498 8.4611 8.4611 8.9756 8.9756 9.1522 9.1522 9.4391 9.4391 9.7011 9.7011 10.2219 10.2219 13.1165 13.1165 13.8930 13.8930 14.6954 14.6954 15.1576 15.1576 15.4064 15.4064 16.7428 16.7428 k = 0.2340 0.2340-0.0000 ( 2578 PWs) bands (ev): -42.7076 -42.7076 -42.6924 -42.6924 -20.3530 -20.3530 -20.2360 -20.2360 -18.4576 -18.4576 -18.2570 -18.2570 -18.1095 -18.1095 -18.0204 -18.0204 -6.8021 -6.8021 -6.2179 -6.2179 -5.6454 -5.6454 -5.1247 -5.1247 4.9702 4.9702 6.0888 6.0888 6.3725 6.3725 6.8931 6.8931 7.0413 7.0413 7.3651 7.3651 8.4689 8.4689 9.0095 9.0095 9.1448 9.1448 9.4709 9.4709 9.7093 9.7093 10.2595 10.2595 13.1199 13.1199 13.8902 13.8902 14.6937 14.6937 15.0951 15.0951 15.3972 15.3972 16.7879 16.7879 k = 0.2234 0.2234-0.0000 ( 2576 PWs) bands (ev): -42.7080 -42.7080 -42.6920 -42.6920 -20.3562 -20.3562 -20.2321 -20.2321 -18.4629 -18.4629 -18.2496 -18.2496 -18.1128 -18.1128 -18.0193 -18.0193 -6.8140 -6.8140 -6.2255 -6.2255 -5.6276 -5.6276 -5.1214 -5.1214 4.9691 4.9691 6.0546 6.0546 6.3144 6.3144 6.8951 6.8951 7.0409 7.0409 7.4006 7.4006 8.4764 8.4764 9.0460 9.0460 9.1399 9.1399 9.5027 9.5027 9.7184 9.7184 10.2956 10.2956 13.1232 13.1232 13.8818 13.8818 14.6919 14.6919 15.0327 15.0327 15.3817 15.3817 16.8336 16.8336 k = 0.2128 0.2128-0.0000 ( 2576 PWs) bands (ev): -42.7084 -42.7084 -42.6915 -42.6915 -20.3593 -20.3593 -20.2283 -20.2283 -18.4682 -18.4682 -18.2423 -18.2423 -18.1159 -18.1159 -18.0181 -18.0181 -6.8265 -6.8265 -6.2373 -6.2373 -5.6040 -5.6040 -5.1181 -5.1181 4.9679 4.9679 6.0056 6.0056 6.2586 6.2586 6.8972 6.8972 7.0390 7.0390 7.4526 7.4526 8.4838 8.4838 9.0849 9.0849 9.1375 9.1375 9.5343 9.5343 9.7284 9.7284 10.3301 10.3301 13.1263 13.1263 13.8677 13.8677 14.6901 14.6901 14.9707 14.9707 15.3599 15.3599 16.8797 16.8797 k = 0.2021 0.2021-0.0000 ( 2572 PWs) bands (ev): -42.7087 -42.7087 -42.6912 -42.6912 -20.3624 -20.3624 -20.2245 -20.2245 -18.4735 -18.4735 -18.2351 -18.2351 -18.1188 -18.1188 -18.0168 -18.0168 -6.8398 -6.8398 -6.2522 -6.2522 -5.5761 -5.5761 -5.1147 -5.1147 4.9666 4.9666 5.9459 5.9459 6.2049 6.2049 6.8992 6.8992 7.0357 7.0357 7.5172 7.5172 8.4908 8.4908 9.1259 9.1259 9.1374 9.1374 9.5657 9.5657 9.7395 9.7395 10.3630 10.3630 13.1292 13.1292 13.8481 13.8481 14.6881 14.6881 14.9097 14.9097 15.3324 15.3324 16.9260 16.9260 k = 0.1915 0.1915-0.0000 ( 2572 PWs) bands (ev): -42.7092 -42.7092 -42.6907 -42.6907 -20.3655 -20.3655 -20.2208 -20.2208 -18.4787 -18.4787 -18.2281 -18.2281 -18.1215 -18.1215 -18.0156 -18.0156 -6.8537 -6.8537 -6.2691 -6.2691 -5.5451 -5.5451 -5.1112 -5.1112 4.9650 4.9650 5.8788 5.8788 6.1536 6.1536 6.9011 6.9011 7.0312 7.0312 7.5907 7.5907 8.4976 8.4976 9.1387 9.1387 9.1697 9.1697 9.5967 9.5967 9.7516 9.7516 10.3942 10.3942 13.1319 13.1319 13.8233 13.8233 14.6860 14.6860 14.8498 14.8498 15.2997 15.2997 16.9724 16.9724 k = 0.1809 0.1809-0.0000 ( 2568 PWs) bands (ev): -42.7095 -42.7095 -42.6903 -42.6903 -20.3685 -20.3685 -20.2173 -20.2173 -18.4838 -18.4838 -18.2214 -18.2214 -18.1240 -18.1240 -18.0142 -18.0142 -6.8682 -6.8682 -6.2870 -6.2870 -5.5120 -5.5120 -5.1076 -5.1076 4.9633 4.9633 5.8074 5.8074 6.1047 6.1047 6.9031 6.9031 7.0257 7.0257 7.6700 7.6700 8.5041 8.5041 9.1422 9.1422 9.2153 9.2153 9.6274 9.6274 9.7649 9.7649 10.4237 10.4237 13.1344 13.1344 13.7934 13.7934 14.6831 14.6831 14.7919 14.7919 15.2625 15.2625 17.0184 17.0184 k = 0.1702 0.1702-0.0000 ( 2564 PWs) bands (ev): -42.7099 -42.7099 -42.6898 -42.6898 -20.3714 -20.3714 -20.2138 -20.2138 -18.4887 -18.4887 -18.2150 -18.2150 -18.1262 -18.1262 -18.0128 -18.0128 -6.8832 -6.8832 -6.3052 -6.3052 -5.4777 -5.4777 -5.1038 -5.1038 4.9613 4.9613 5.7341 5.7341 6.0583 6.0583 6.9049 6.9049 7.0191 7.0191 7.7525 7.7525 8.5103 8.5103 9.1470 9.1470 9.2630 9.2630 9.6575 9.6575 9.7792 9.7792 10.4513 10.4513 13.1367 13.1367 13.7589 13.7589 14.6778 14.6778 14.7380 14.7380 15.2215 15.2215 17.0639 17.0639 k = 0.1596 0.1596-0.0000 ( 2566 PWs) bands (ev): -42.7103 -42.7103 -42.6895 -42.6895 -20.3742 -20.3742 -20.2106 -20.2106 -18.4936 -18.4936 -18.2090 -18.2090 -18.1282 -18.1282 -18.0114 -18.0114 -6.8985 -6.8985 -6.3230 -6.3230 -5.4431 -5.4431 -5.0999 -5.0999 4.9590 4.9590 5.6605 5.6605 6.0143 6.0143 6.9067 6.9067 7.0118 7.0118 7.8359 7.8359 8.5162 8.5162 9.1530 9.1530 9.3127 9.3127 9.6869 9.6869 9.7946 9.7946 10.4772 10.4772 13.1388 13.1388 13.7202 13.7202 14.6586 14.6586 14.6999 14.6999 15.1776 15.1776 17.1087 17.1087 k = 0.1489 0.1489-0.0000 ( 2568 PWs) bands (ev): -42.7106 -42.7106 -42.6891 -42.6891 -20.3770 -20.3770 -20.2074 -20.2074 -18.4982 -18.4982 -18.2033 -18.2033 -18.1299 -18.1299 -18.0100 -18.0100 -6.9141 -6.9141 -6.3402 -6.3402 -5.4088 -5.4088 -5.0957 -5.0957 4.9563 4.9563 5.5883 5.5883 5.9730 5.9730 6.9084 6.9084 7.0039 7.0039 7.9187 7.9187 8.5218 8.5218 9.1597 9.1597 9.3643 9.3643 9.7155 9.7155 9.8109 9.8109 10.5014 10.5014 13.1407 13.1407 13.6777 13.6777 14.6146 14.6146 14.6886 14.6886 15.1315 15.1315 17.1524 17.1524 k = 0.1383 0.1383-0.0000 ( 2572 PWs) bands (ev): -42.7110 -42.7110 -42.6889 -42.6889 -20.3796 -20.3796 -20.2044 -20.2044 -18.5026 -18.5026 -18.1981 -18.1981 -18.1314 -18.1314 -18.0086 -18.0086 -6.9298 -6.9298 -6.3564 -6.3564 -5.3754 -5.3754 -5.0912 -5.0912 4.9531 4.9531 5.5185 5.5185 5.9342 5.9342 6.9100 6.9100 6.9956 6.9956 7.9993 7.9993 8.5271 8.5271 9.1670 9.1670 9.4177 9.4177 9.7431 9.7431 9.8280 9.8280 10.5237 10.5237 13.1424 13.1424 13.6320 13.6320 14.5654 14.5654 14.6848 14.6848 15.0841 15.0841 17.1948 17.1948 k = 0.1277 0.1277-0.0000 ( 2572 PWs) bands (ev): -42.7115 -42.7115 -42.6884 -42.6884 -20.3821 -20.3821 -20.2017 -20.2017 -18.5068 -18.5068 -18.1934 -18.1934 -18.1326 -18.1326 -18.0072 -18.0072 -6.9453 -6.9453 -6.3715 -6.3715 -5.3436 -5.3436 -5.0864 -5.0864 4.9493 4.9493 5.4522 5.4522 5.8982 5.8982 6.9115 6.9115 6.9871 6.9871 8.0765 8.0765 8.5322 8.5322 9.1745 9.1745 9.4724 9.4724 9.7697 9.7697 9.8458 9.8458 10.5442 10.5442 13.1439 13.1439 13.5838 13.5838 14.5174 14.5174 14.6825 14.6825 15.0363 15.0363 17.2356 17.2356 k = 0.1170 0.1170-0.0000 ( 2568 PWs) bands (ev): -42.7118 -42.7118 -42.6880 -42.6880 -20.3844 -20.3844 -20.1991 -20.1991 -18.5108 -18.5108 -18.1891 -18.1891 -18.1335 -18.1335 -18.0057 -18.0057 -6.9605 -6.9605 -6.3853 -6.3853 -5.3137 -5.3137 -5.0811 -5.0811 4.9447 4.9447 5.3902 5.3902 5.8648 5.8648 6.9129 6.9129 6.9786 6.9786 8.1494 8.1494 8.5370 8.5370 9.1821 9.1821 9.5281 9.5281 9.7950 9.7950 9.8639 9.8639 10.5630 10.5630 13.1452 13.1452 13.5339 13.5339 14.4717 14.4717 14.6806 14.6806 14.9888 14.9888 17.2745 17.2745 k = 0.1064 0.1064-0.0000 ( 2572 PWs) bands (ev): -42.7121 -42.7121 -42.6878 -42.6878 -20.3866 -20.3866 -20.1966 -20.1966 -18.5145 -18.5145 -18.1854 -18.1854 -18.1341 -18.1341 -18.0044 -18.0044 -6.9752 -6.9752 -6.3978 -6.3978 -5.2862 -5.2862 -5.0753 -5.0753 4.9392 4.9392 5.3332 5.3332 5.8343 5.8343 6.9142 6.9142 6.9702 6.9702 8.2171 8.2171 8.5416 8.5416 9.1894 9.1894 9.5841 9.5841 9.8190 9.8190 9.8822 9.8822 10.5800 10.5800 13.1462 13.1462 13.4829 13.4829 14.4288 14.4288 14.6789 14.6789 14.9425 14.9425 17.3113 17.3113 k = 0.0957 0.0957-0.0000 ( 2566 PWs) bands (ev): -42.7122 -42.7122 -42.6875 -42.6875 -20.3885 -20.3885 -20.1944 -20.1944 -18.5179 -18.5179 -18.1823 -18.1823 -18.1344 -18.1344 -18.0030 -18.0030 -6.9892 -6.9892 -6.4090 -6.4090 -5.2615 -5.2615 -5.0689 -5.0689 4.9326 4.9326 5.2820 5.2820 5.8065 5.8065 6.9154 6.9154 6.9621 6.9621 8.2789 8.2789 8.5461 8.5461 9.1964 9.1964 9.6397 9.6397 9.8417 9.8417 9.9002 9.9002 10.5952 10.5952 13.1471 13.1471 13.4320 13.4320 14.3892 14.3892 14.6773 14.6773 14.8982 14.8982 17.3456 17.3456 k = 0.0851 0.0851-0.0000 ( 2566 PWs) bands (ev): -42.7125 -42.7125 -42.6873 -42.6873 -20.3904 -20.3904 -20.1924 -20.1924 -18.5210 -18.5210 -18.1796 -18.1796 -18.1344 -18.1344 -18.0018 -18.0018 -7.0023 -7.0023 -6.4188 -6.4188 -5.2398 -5.2398 -5.0620 -5.0620 4.9248 4.9248 5.2371 5.2371 5.7815 5.7815 6.9164 6.9164 6.9545 6.9545 8.3342 8.3342 8.5507 8.5507 9.2028 9.2028 9.6940 9.6940 9.8628 9.8628 9.9175 9.9175 10.6088 10.6088 13.1477 13.1477 13.3822 13.3822 14.3530 14.3530 14.6757 14.6757 14.8567 14.8567 17.3772 17.3772 k = 0.0745 0.0745-0.0000 ( 2570 PWs) bands (ev): -42.7127 -42.7127 -42.6872 -42.6872 -20.3920 -20.3920 -20.1906 -20.1906 -18.5237 -18.5237 -18.1775 -18.1775 -18.1343 -18.1343 -18.0006 -18.0006 -7.0143 -7.0143 -6.4274 -6.4274 -5.2214 -5.2214 -5.0546 -5.0546 4.9157 4.9157 5.1989 5.1989 5.7595 5.7595 6.9172 6.9172 6.9476 6.9476 8.3825 8.3825 8.5553 8.5553 9.2087 9.2087 9.7457 9.7457 9.8824 9.8824 9.9339 9.9339 10.6206 10.6206 13.1479 13.1479 13.3345 13.3345 14.3204 14.3204 14.6740 14.6740 14.8186 14.8186 17.4057 17.4057 k = 0.0638 0.0638-0.0000 ( 2570 PWs) bands (ev): -42.7129 -42.7129 -42.6870 -42.6870 -20.3934 -20.3934 -20.1891 -20.1891 -18.5261 -18.5261 -18.1758 -18.1758 -18.1340 -18.1340 -17.9995 -17.9995 -7.0250 -7.0250 -6.4347 -6.4347 -5.2062 -5.2062 -5.0469 -5.0469 4.9056 4.9056 5.1674 5.1674 5.7403 5.7403 6.9179 6.9179 6.9414 6.9414 8.4235 8.4235 8.5604 8.5604 9.2139 9.2139 9.7933 9.7933 9.9006 9.9006 9.9489 9.9489 10.6308 10.6308 13.1477 13.1477 13.2904 13.2904 14.2918 14.2918 14.6719 14.6719 14.7849 14.7849 17.4311 17.4311 k = 0.0532 0.0532-0.0000 ( 2570 PWs) bands (ev): -42.7131 -42.7131 -42.6868 -42.6868 -20.3947 -20.3947 -20.1877 -20.1877 -18.5282 -18.5282 -18.1745 -18.1745 -18.1336 -18.1336 -17.9986 -17.9986 -7.0344 -7.0344 -6.4409 -6.4409 -5.1941 -5.1941 -5.0394 -5.0394 4.8949 4.8949 5.1424 5.1424 5.7240 5.7240 6.9182 6.9182 6.9362 6.9362 8.4566 8.4566 8.5663 8.5663 9.2184 9.2184 9.8353 9.8353 9.9177 9.9177 9.9624 9.9624 10.6394 10.6394 13.1467 13.1467 13.2511 13.2511 14.2672 14.2672 14.6692 14.6692 14.7562 14.7562 17.4529 17.4529 k = 0.0426 0.0426-0.0000 ( 2565 PWs) bands (ev): -42.7131 -42.7131 -42.6867 -42.6867 -20.3957 -20.3957 -20.1866 -20.1866 -18.5299 -18.5299 -18.1735 -18.1735 -18.1332 -18.1332 -17.9978 -17.9978 -7.0422 -7.0422 -6.4458 -6.4458 -5.1848 -5.1848 -5.0324 -5.0324 4.8844 4.8844 5.1234 5.1234 5.7106 5.7106 6.9182 6.9182 6.9321 6.9321 8.4818 8.4818 8.5730 8.5730 9.2221 9.2221 9.8697 9.8697 9.9339 9.9339 9.9739 9.9739 10.6464 10.6464 13.1445 13.1445 13.2185 13.2185 14.2469 14.2469 14.6656 14.6656 14.7335 14.7335 17.4711 17.4711 k = 0.0319 0.0319-0.0000 ( 2559 PWs) bands (ev): -42.7131 -42.7131 -42.6865 -42.6865 -20.3965 -20.3965 -20.1858 -20.1858 -18.5313 -18.5313 -18.1728 -18.1728 -18.1328 -18.1328 -17.9971 -17.9971 -7.0484 -7.0484 -6.4496 -6.4496 -5.1779 -5.1779 -5.0264 -5.0264 4.8750 4.8750 5.1097 5.1097 5.7002 5.7002 6.9179 6.9179 6.9292 6.9292 8.4992 8.4992 8.5802 8.5802 9.2250 9.2250 9.8949 9.8949 9.9495 9.9495 9.9834 9.9834 10.6518 10.6518 13.1401 13.1401 13.1944 13.1944 14.2310 14.2310 14.6610 14.6610 14.7172 14.7172 17.4854 17.4854 k = 0.0213 0.0213-0.0000 ( 2553 PWs) bands (ev): -42.7130 -42.7130 -42.6865 -42.6865 -20.3970 -20.3970 -20.1852 -20.1852 -18.5322 -18.5322 -18.1724 -18.1724 -18.1325 -18.1325 -17.9966 -17.9966 -7.0529 -7.0529 -6.4523 -6.4523 -5.1733 -5.1733 -5.0218 -5.0218 4.8676 4.8676 5.1006 5.1006 5.6928 5.6928 6.9172 6.9172 6.9275 6.9275 8.5101 8.5101 8.5870 8.5870 9.2270 9.2270 9.9110 9.9110 9.9632 9.9632 9.9908 9.9908 10.6556 10.6556 13.1334 13.1334 13.1801 13.1801 14.2196 14.2196 14.6560 14.6560 14.7071 14.7071 17.4957 17.4957 k = 0.0106 0.0106-0.0000 ( 2545 PWs) bands (ev): -42.7128 -42.7128 -42.6864 -42.6864 -20.3974 -20.3974 -20.1848 -20.1848 -18.5328 -18.5328 -18.1721 -18.1721 -18.1322 -18.1322 -17.9963 -17.9963 -7.0556 -7.0556 -6.4539 -6.4539 -5.1706 -5.1706 -5.0189 -5.0189 4.8629 4.8629 5.0953 5.0953 5.6883 5.6883 6.9166 6.9166 6.9266 6.9266 8.5159 8.5159 8.5918 8.5918 9.2283 9.2283 9.9196 9.9196 9.9725 9.9725 9.9956 9.9956 10.6579 10.6579 13.1269 13.1269 13.1736 13.1736 14.2127 14.2127 14.6520 14.6520 14.7019 14.7019 17.4911 17.4911 k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -42.7129 -42.7129 -42.6863 -42.6863 -20.3975 -20.3975 -20.1847 -20.1847 -18.5330 -18.5330 -18.1720 -18.1720 -18.1322 -18.1322 -17.9963 -17.9963 -7.0565 -7.0565 -6.4545 -6.4545 -5.1697 -5.1697 -5.0179 -5.0179 4.8613 4.8613 5.0936 5.0936 5.6868 5.6868 6.9164 6.9164 6.9264 6.9264 8.5177 8.5177 8.5935 8.5935 9.2287 9.2287 9.9223 9.9223 9.9757 9.9757 9.9973 9.9973 10.6587 10.6587 13.1244 13.1244 13.1718 13.1718 14.2104 14.2104 14.6504 14.6504 14.7003 14.7003 17.4897 17.4897 k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -42.7129 -42.7129 -42.6863 -42.6863 -20.3975 -20.3975 -20.1847 -20.1847 -18.5330 -18.5330 -18.1720 -18.1720 -18.1322 -18.1322 -17.9963 -17.9963 -7.0565 -7.0565 -6.4545 -6.4545 -5.1697 -5.1697 -5.0179 -5.0179 4.8613 4.8613 5.0936 5.0936 5.6868 5.6868 6.9164 6.9164 6.9264 6.9264 8.5177 8.5177 8.5935 8.5935 9.2287 9.2287 9.9223 9.9223 9.9757 9.9757 9.9973 9.9973 10.6587 10.6587 13.1244 13.1244 13.1718 13.1718 14.2104 14.2104 14.6504 14.6504 14.7003 14.7003 17.4897 17.4897 k = 0.0000 0.0000 0.0152 ( 2541 PWs) bands (ev): -42.7128 -42.7128 -42.6862 -42.6862 -20.3975 -20.3975 -20.1848 -20.1848 -18.5328 -18.5328 -18.1724 -18.1724 -18.1324 -18.1324 -17.9969 -17.9969 -7.0553 -7.0553 -6.4535 -6.4535 -5.1706 -5.1706 -5.0188 -5.0188 4.8628 4.8628 5.0955 5.0955 5.6879 5.6879 6.9150 6.9150 6.9249 6.9249 8.5200 8.5200 8.5958 8.5958 9.2253 9.2253 9.9202 9.9202 9.9742 9.9742 9.9936 9.9936 10.6583 10.6583 13.1263 13.1263 13.1752 13.1752 14.2097 14.2097 14.6504 14.6504 14.7002 14.7002 17.4918 17.4918 k = 0.0000 0.0000 0.0304 ( 2549 PWs) bands (ev): -42.7127 -42.7127 -42.6860 -42.6860 -20.3977 -20.3977 -20.1854 -20.1854 -18.5321 -18.5321 -18.1734 -18.1734 -18.1331 -18.1331 -17.9990 -17.9990 -7.0517 -7.0517 -6.4507 -6.4507 -5.1732 -5.1732 -5.0217 -5.0217 4.8673 4.8673 5.1010 5.1010 5.6911 5.6911 6.9110 6.9110 6.9204 6.9204 8.5269 8.5269 8.6028 8.6028 9.2152 9.2152 9.9136 9.9136 9.9697 9.9697 9.9829 9.9829 10.6572 10.6572 13.1323 13.1323 13.1852 13.1852 14.2075 14.2075 14.6502 14.6502 14.6999 14.6999 17.4988 17.4988 k = 0.0000 0.0000 0.0455 ( 2549 PWs) bands (ev): -42.7124 -42.7124 -42.6857 -42.6857 -20.3980 -20.3980 -20.1864 -20.1864 -18.5309 -18.5309 -18.1753 -18.1753 -18.1341 -18.1341 -18.0025 -18.0025 -7.0457 -7.0457 -6.4460 -6.4460 -5.1774 -5.1774 -5.0264 -5.0264 4.8748 4.8748 5.1103 5.1103 5.6963 5.6963 6.9043 6.9043 6.9132 6.9132 8.5382 8.5382 8.6144 8.6144 9.1985 9.1985 9.9018 9.9018 9.9623 9.9623 9.9660 9.9660 10.6553 10.6553 13.1420 13.1420 13.2017 13.2017 14.2040 14.2040 14.6499 14.6499 14.6995 14.6995 17.4924 17.4924 k = 0.0000 0.0000 0.0607 ( 2541 PWs) bands (ev): -42.7118 -42.7118 -42.6850 -42.6850 -20.3983 -20.3983 -20.1877 -20.1877 -18.5293 -18.5293 -18.1782 -18.1782 -18.1353 -18.1353 -18.0073 -18.0073 -7.0373 -7.0373 -6.4394 -6.4394 -5.1834 -5.1834 -5.0330 -5.0330 4.8853 4.8853 5.1232 5.1232 5.7037 5.7037 6.8953 6.8953 6.9033 6.9033 8.5537 8.5537 8.6301 8.6301 9.1754 9.1754 9.8834 9.8834 9.9449 9.9449 9.9519 9.9519 10.6526 10.6526 13.1556 13.1556 13.2246 13.2246 14.1992 14.1992 14.6497 14.6497 14.6990 14.6990 17.4833 17.4833 k = 0.0000 0.0000 0.0759 ( 2541 PWs) bands (ev): -42.7111 -42.7111 -42.6844 -42.6844 -20.3988 -20.3988 -20.1895 -20.1895 -18.5273 -18.5273 -18.1822 -18.1822 -18.1364 -18.1364 -18.0134 -18.0134 -7.0267 -7.0267 -6.4309 -6.4309 -5.1911 -5.1911 -5.0415 -5.0415 4.8987 4.8987 5.1398 5.1398 5.7132 5.7132 6.8842 6.8842 6.8910 6.8910 8.5732 8.5732 8.6499 8.6499 9.1461 9.1461 9.8562 9.8562 9.9220 9.9220 9.9386 9.9386 10.6491 10.6491 13.1728 13.1728 13.2534 13.2534 14.1930 14.1930 14.6495 14.6495 14.6985 14.6985 17.4717 17.4717 k = 0.0000 0.0000 0.0911 ( 2541 PWs) bands (ev): -42.7103 -42.7103 -42.6837 -42.6837 -20.3994 -20.3994 -20.1916 -20.1916 -18.5248 -18.5248 -18.1876 -18.1876 -18.1372 -18.1372 -18.0208 -18.0208 -7.0137 -7.0137 -6.4207 -6.4207 -5.2004 -5.2004 -5.0517 -5.0517 4.9150 4.9150 5.1599 5.1599 5.7249 5.7249 6.8712 6.8712 6.8767 6.8767 8.5962 8.5962 8.6732 8.6732 9.1108 9.1108 9.8192 9.8192 9.8989 9.8989 9.9224 9.9224 10.6447 10.6447 13.1934 13.1934 13.2878 13.2878 14.1857 14.1857 14.6494 14.6494 14.6980 14.6980 17.4576 17.4576 k = 0.0000 0.0000 0.1063 ( 2541 PWs) bands (ev): -42.7092 -42.7092 -42.6830 -42.6830 -20.4002 -20.4002 -20.1941 -20.1941 -18.5219 -18.5219 -18.1944 -18.1944 -18.1377 -18.1377 -18.0294 -18.0294 -6.9985 -6.9985 -6.4088 -6.4088 -5.2113 -5.2113 -5.0638 -5.0638 4.9342 4.9342 5.1836 5.1836 5.7386 5.7386 6.8567 6.8567 6.8608 6.8608 8.6225 8.6225 8.6997 8.6997 9.0699 9.0699 9.7732 9.7732 9.8753 9.8753 9.9033 9.9033 10.6394 10.6394 13.2173 13.2173 13.3274 13.3274 14.1772 14.1772 14.6497 14.6497 14.6979 14.6979 17.4409 17.4409 k = 0.0000 0.0000 0.1215 ( 2545 PWs) bands (ev): -42.7081 -42.7081 -42.6820 -42.6820 -20.4011 -20.4011 -20.1970 -20.1970 -18.5186 -18.5186 -18.2026 -18.2026 -18.1377 -18.1377 -18.0392 -18.0392 -6.9811 -6.9811 -6.3951 -6.3951 -5.2238 -5.2238 -5.0775 -5.0775 4.9562 4.9562 5.2107 5.2107 5.7544 5.7544 6.8409 6.8409 6.8434 6.8434 8.6515 8.6515 8.7290 8.7290 9.0237 9.0237 9.7197 9.7197 9.8505 9.8505 9.8815 9.8815 10.6330 10.6330 13.2443 13.2443 13.3718 13.3718 14.1677 14.1677 14.6505 14.6505 14.6981 14.6981 17.4217 17.4217 k = 0.0000 0.0000 0.1366 ( 2553 PWs) bands (ev): -42.7070 -42.7070 -42.6809 -42.6809 -20.4021 -20.4021 -20.2003 -20.2003 -18.5149 -18.5149 -18.2121 -18.2121 -18.1374 -18.1374 -18.0501 -18.0501 -6.9616 -6.9616 -6.3799 -6.3799 -5.2378 -5.2378 -5.0930 -5.0930 4.9808 4.9808 5.2412 5.2412 5.7723 5.7723 6.8243 6.8243 6.8250 6.8250 8.6828 8.6828 8.7605 8.7605 8.9728 8.9728 9.6599 9.6599 9.8238 9.8238 9.8569 9.8569 10.6256 10.6256 13.2743 13.2743 13.4206 13.4206 14.1573 14.1573 14.6518 14.6518 14.6988 14.6988 17.4001 17.4001 k = 0.0000 0.0000 0.1518 ( 2549 PWs) bands (ev): -42.7056 -42.7056 -42.6796 -42.6796 -20.4032 -20.4032 -20.2040 -20.2040 -18.5107 -18.5107 -18.2228 -18.2228 -18.1368 -18.1368 -18.0621 -18.0621 -6.9400 -6.9400 -6.3631 -6.3631 -5.2532 -5.2532 -5.1100 -5.1100 5.0081 5.0081 5.2749 5.2749 5.7922 5.7922 6.8060 6.8060 6.8072 6.8072 8.7161 8.7161 8.7939 8.7939 8.9173 8.9173 9.5948 9.5948 9.7949 9.7949 9.8297 9.8297 10.6170 10.6170 13.3069 13.3069 13.4735 13.4735 14.1462 14.1462 14.6540 14.6540 14.7002 14.7002 17.3761 17.3761 k = 0.0000 0.0000 0.1670 ( 2561 PWs) bands (ev): -42.7043 -42.7043 -42.6784 -42.6784 -20.4045 -20.4045 -20.2081 -20.2081 -18.5062 -18.5062 -18.2347 -18.2347 -18.1358 -18.1358 -18.0750 -18.0750 -6.9165 -6.9165 -6.3448 -6.3448 -5.2700 -5.2700 -5.1286 -5.1286 5.0379 5.0379 5.3117 5.3117 5.8143 5.8143 6.7866 6.7866 6.7898 6.7898 8.7510 8.7510 8.8286 8.8286 8.8579 8.8579 9.5253 9.5253 9.7637 9.7637 9.7999 9.7999 10.6071 10.6071 13.3421 13.3421 13.5301 13.5301 14.1345 14.1345 14.6569 14.6569 14.7025 14.7025 17.3496 17.3496 k = 0.0000 0.0000 0.1822 ( 2561 PWs) bands (ev): -42.7026 -42.7026 -42.6770 -42.6770 -20.4060 -20.4060 -20.2126 -20.2126 -18.5013 -18.5013 -18.2476 -18.2476 -18.1346 -18.1346 -18.0888 -18.0888 -6.8911 -6.8911 -6.3251 -6.3251 -5.2882 -5.2882 -5.1487 -5.1487 5.0702 5.0702 5.3516 5.3516 5.8384 5.8384 6.7672 6.7672 6.7725 6.7725 8.7869 8.7869 8.7945 8.7945 8.8646 8.8646 9.4520 9.4520 9.7301 9.7301 9.7678 9.7678 10.5958 10.5958 13.3797 13.3797 13.5901 13.5901 14.1224 14.1224 14.6610 14.6610 14.7057 14.7057 17.3208 17.3208 k = 0.0000 0.0000 0.1974 ( 2561 PWs) bands (ev): -42.7010 -42.7010 -42.6753 -42.6753 -20.4077 -20.4077 -20.2175 -20.2175 -18.4961 -18.4961 -18.2613 -18.2613 -18.1332 -18.1332 -18.1034 -18.1034 -6.8639 -6.8639 -6.3041 -6.3041 -5.3076 -5.3076 -5.1702 -5.1702 5.1048 5.1048 5.3944 5.3944 5.8645 5.8645 6.7480 6.7480 6.7554 6.7554 8.7282 8.7282 8.8236 8.8236 8.9009 8.9009 9.3756 9.3756 9.6942 9.6942 9.7333 9.7333 10.5830 10.5830 13.4196 13.4196 13.6532 13.6532 14.1100 14.1100 14.6662 14.6662 14.7100 14.7100 17.2897 17.2897 k = 0.0000 0.0000 0.2126 ( 2565 PWs) bands (ev): -42.6992 -42.6992 -42.6736 -42.6736 -20.4095 -20.4095 -20.2229 -20.2229 -18.4906 -18.4906 -18.2759 -18.2759 -18.1315 -18.1315 -18.1187 -18.1187 -6.8350 -6.8350 -6.2820 -6.2820 -5.3282 -5.3282 -5.1931 -5.1931 5.1415 5.1415 5.4399 5.4399 5.8927 5.8927 6.7293 6.7293 6.7388 6.7388 8.6590 8.6590 8.8605 8.8605 8.9374 8.9374 9.2967 9.2967 9.6560 9.6560 9.6968 9.6968 10.5687 10.5687 13.4615 13.4615 13.7192 13.7192 14.0975 14.0975 14.6727 14.6727 14.7155 14.7155 17.2563 17.2563 k = 0.0000 0.0000 0.2277 ( 2565 PWs) bands (ev): -42.6972 -42.6972 -42.6719 -42.6719 -20.4116 -20.4116 -20.2286 -20.2286 -18.4848 -18.4848 -18.2911 -18.2911 -18.1346 -18.1346 -18.1297 -18.1297 -6.8045 -6.8045 -6.2587 -6.2587 -5.3499 -5.3499 -5.2172 -5.2172 5.1804 5.1804 5.4880 5.4880 5.9229 5.9229 6.7112 6.7112 6.7230 6.7230 8.5874 8.5874 8.8971 8.8971 8.9735 8.9735 9.2160 9.2160 9.6157 9.6157 9.6584 9.6584 10.5526 10.5526 13.5055 13.5055 13.7878 13.7878 14.0853 14.0853 14.6806 14.6806 14.7223 14.7223 17.2208 17.2208 k = 0.0000 0.0000 0.2429 ( 2565 PWs) bands (ev): -42.6950 -42.6950 -42.6702 -42.6702 -20.4138 -20.4138 -20.2347 -20.2347 -18.4787 -18.4787 -18.3069 -18.3069 -18.1510 -18.1510 -18.1278 -18.1278 -6.7726 -6.7726 -6.2344 -6.2344 -5.3726 -5.3726 -5.2424 -5.2424 5.2212 5.2212 5.5384 5.5384 5.9551 5.9551 6.6941 6.6941 6.7080 6.7080 8.5138 8.5138 8.9324 8.9324 9.0087 9.0087 9.1347 9.1347 9.5734 9.5734 9.6184 9.6184 10.5346 10.5346 13.5513 13.5513 13.8590 13.8590 14.0733 14.0733 14.6898 14.6898 14.7304 14.7304 17.1831 17.1831 k = 0.0000 0.0000 0.2581 ( 2569 PWs) bands (ev): -42.6928 -42.6928 -42.6684 -42.6684 -20.4162 -20.4162 -20.2412 -20.2412 -18.4725 -18.4725 -18.3232 -18.3232 -18.1677 -18.1677 -18.1258 -18.1258 -6.7392 -6.7392 -6.2092 -6.2092 -5.3962 -5.3962 -5.2687 -5.2687 5.2637 5.2637 5.5911 5.5911 5.9894 5.9894 6.6780 6.6780 6.6941 6.6941 8.4386 8.4386 8.9619 8.9619 9.0426 9.0426 9.0573 9.0573 9.5294 9.5294 9.5774 9.5774 10.5147 10.5147 13.5991 13.5991 13.9324 13.9324 14.0620 14.0620 14.7006 14.7006 14.7399 14.7399 17.1432 17.1432 k = 0.0000 0.0000 0.2733 ( 2569 PWs) bands (ev): -42.6905 -42.6905 -42.6665 -42.6665 -20.4189 -20.4189 -20.2481 -20.2481 -18.4661 -18.4661 -18.3398 -18.3398 -18.1847 -18.1847 -18.1237 -18.1237 -6.7046 -6.7046 -6.1833 -6.1833 -5.4206 -5.4206 -5.2960 -5.2960 5.3079 5.3079 5.6458 5.6458 6.0256 6.0256 6.6631 6.6631 6.6814 6.6814 8.3621 8.3621 8.9442 8.9442 9.0252 9.0252 9.0742 9.0742 9.4839 9.4839 9.5359 9.5359 10.4927 10.4927 13.6486 13.6486 14.0080 14.0080 14.0513 14.0513 14.7128 14.7128 14.7510 14.7510 17.1014 17.1014 k = 0.0000 0.0000 0.2885 ( 2569 PWs) bands (ev): -42.6881 -42.6881 -42.6645 -42.6645 -20.4218 -20.4218 -20.2554 -20.2554 -18.4597 -18.4597 -18.3568 -18.3568 -18.2018 -18.2018 -18.1215 -18.1215 -6.6688 -6.6688 -6.1567 -6.1567 -5.4458 -5.4458 -5.3242 -5.3242 5.3534 5.3534 5.7022 5.7022 6.0638 6.0638 6.6496 6.6496 6.6699 6.6699 8.2848 8.2848 8.8683 8.8683 9.0493 9.0493 9.1026 9.1026 9.4376 9.4376 9.4951 9.4951 10.4685 10.4685 13.6998 13.6998 14.0417 14.0417 14.0856 14.0856 14.7267 14.7267 14.7634 14.7634 17.0576 17.0576 k = 0.0000 0.0000 0.3037 ( 2560 PWs) bands (ev): -42.6853 -42.6853 -42.6624 -42.6624 -20.4249 -20.4249 -20.2631 -20.2631 -18.4532 -18.4532 -18.3739 -18.3739 -18.2188 -18.2188 -18.1193 -18.1193 -6.6320 -6.6320 -6.1295 -6.1295 -5.4716 -5.4716 -5.3531 -5.3531 5.4002 5.4002 5.7601 5.7601 6.1039 6.1039 6.6375 6.6375 6.6599 6.6599 8.2069 8.2069 8.7848 8.7848 9.0782 9.0782 9.1259 9.1259 9.3912 9.3912 9.4565 9.4565 10.4419 10.4419 13.7527 13.7527 14.0332 14.0332 14.1653 14.1653 14.7419 14.7419 14.7773 14.7773 17.0119 17.0119 k = 0.0000 0.0000 0.3188 ( 2560 PWs) bands (ev): -42.6828 -42.6828 -42.6603 -42.6603 -20.4282 -20.4282 -20.2711 -20.2711 -18.4470 -18.4470 -18.3912 -18.3912 -18.2355 -18.2355 -18.1171 -18.1171 -6.5943 -6.5943 -6.1020 -6.1020 -5.4978 -5.4978 -5.3827 -5.3827 5.4481 5.4481 5.8192 5.8192 6.1460 6.1460 6.6270 6.6270 6.6514 6.6514 8.1289 8.1289 8.7004 8.7004 9.1040 9.1040 9.1412 9.1412 9.3467 9.3467 9.4232 9.4232 10.4129 10.4129 13.8074 13.8074 14.0261 14.0261 14.2467 14.2467 14.7587 14.7587 14.7926 14.7926 16.9644 16.9644 k = 0.0000 0.0000 0.3340 ( 2552 PWs) bands (ev): -42.6800 -42.6800 -42.6582 -42.6582 -20.4318 -20.4318 -20.2795 -20.2795 -18.4412 -18.4412 -18.4084 -18.4084 -18.2517 -18.2517 -18.1148 -18.1148 -6.5558 -6.5558 -6.0742 -6.0742 -5.5245 -5.5245 -5.4129 -5.4129 5.4967 5.4967 5.8792 5.8792 6.1899 6.1899 6.6182 6.6182 6.6444 6.6444 8.0510 8.0510 8.6161 8.6161 9.1216 9.1216 9.1445 9.1445 9.3082 9.3082 9.3991 9.3991 10.3815 10.3815 13.8637 13.8637 14.0206 14.0206 14.3299 14.3299 14.7768 14.7768 14.8092 14.8092 16.9152 16.9152 k = 0.0000 0.0000 0.3492 ( 2552 PWs) bands (ev): -42.6774 -42.6774 -42.6561 -42.6561 -20.4356 -20.4356 -20.2882 -20.2882 -18.4360 -18.4360 -18.4256 -18.4256 -18.2670 -18.2670 -18.1126 -18.1126 -6.5166 -6.5166 -6.0463 -6.0463 -5.5514 -5.5514 -5.4435 -5.4435 5.5460 5.5460 5.9399 5.9399 6.2358 6.2358 6.6110 6.6110 6.6390 6.6390 7.9738 7.9738 8.5327 8.5327 9.1224 9.1224 9.1323 9.1323 9.2841 9.2841 9.3879 9.3879 10.3474 10.3474 13.9217 13.9217 14.0168 14.0168 14.4147 14.4147 14.7963 14.7963 14.8270 14.8270 16.8642 16.8642 k = 0.0000 0.0000 0.3644 ( 2552 PWs) bands (ev): -42.6747 -42.6747 -42.6539 -42.6539 -20.4396 -20.4396 -20.2972 -20.2972 -18.4426 -18.4426 -18.4318 -18.4318 -18.2810 -18.2810 -18.1104 -18.1104 -6.4769 -6.4769 -6.0184 -6.0184 -5.5783 -5.5783 -5.4746 -5.4746 5.5956 5.5956 6.0007 6.0007 6.2835 6.2835 6.6057 6.6057 6.6353 6.6353 7.8975 7.8975 8.4504 8.4504 9.0996 9.0996 9.1048 9.1048 9.2813 9.2813 9.3892 9.3892 10.3106 10.3106 13.9813 13.9813 14.0152 14.0152 14.5011 14.5011 14.8168 14.8168 14.8459 14.8459 16.8117 16.8117 k = 0.0000 0.0000 0.3796 ( 2560 PWs) bands (ev): -42.6719 -42.6719 -42.6519 -42.6519 -20.4438 -20.4438 -20.3066 -20.3066 -18.4594 -18.4594 -18.4292 -18.4292 -18.2931 -18.2931 -18.1082 -18.1082 -6.4367 -6.4367 -5.9908 -5.9908 -5.6052 -5.6052 -5.5058 -5.5058 5.6452 5.6452 6.0614 6.0614 6.3331 6.3331 6.6022 6.6022 6.6332 6.6332 7.8224 7.8224 8.3698 8.3698 9.0589 9.0589 9.0659 9.0659 9.2940 9.2940 9.3995 9.3995 10.2712 10.2712 14.0144 14.0144 14.0438 14.0438 14.5888 14.5888 14.8385 14.8385 14.8658 14.8658 16.7576 16.7576 k = 0.0000 0.0000 0.3948 ( 2556 PWs) bands (ev): -42.6692 -42.6692 -42.6496 -42.6496 -20.4482 -20.4482 -20.3161 -20.3161 -18.4758 -18.4758 -18.4287 -18.4287 -18.3027 -18.3027 -18.1061 -18.1061 -6.3962 -6.3962 -5.9636 -5.9636 -5.6318 -5.6318 -5.5372 -5.5372 5.6947 5.6947 6.1214 6.1214 6.3844 6.3844 6.6007 6.6007 6.6328 6.6328 7.7492 7.7492 8.2911 8.2911 9.0091 9.0091 9.0197 9.0197 9.3135 9.3135 9.4146 9.4146 10.2290 10.2290 14.0171 14.0171 14.1068 14.1068 14.6778 14.6778 14.8611 14.8611 14.8866 14.8866 16.7022 16.7022 k = 0.0000 0.0000 0.4099 ( 2556 PWs) bands (ev): -42.6664 -42.6664 -42.6474 -42.6474 -20.4528 -20.4528 -20.3260 -20.3260 -18.4919 -18.4919 -18.4311 -18.4311 -18.3092 -18.3092 -18.1041 -18.1041 -6.3555 -6.3555 -5.9373 -5.9373 -5.6578 -5.6578 -5.5686 -5.5686 5.7437 5.7437 6.1803 6.1803 6.4376 6.4376 6.6011 6.6011 6.6341 6.6341 7.6781 7.6781 8.2146 8.2146 8.9549 8.9549 8.9688 8.9688 9.3353 9.3353 9.4320 9.4320 10.1840 10.1840 14.0218 14.0218 14.1719 14.1719 14.7679 14.7679 14.8845 14.8845 14.9081 14.9081 16.6454 16.6454 k = 0.0000 0.0000 0.4251 ( 2564 PWs) bands (ev): -42.6638 -42.6638 -42.6452 -42.6452 -20.4575 -20.4575 -20.3360 -20.3360 -18.5075 -18.5075 -18.4364 -18.4364 -18.3122 -18.3122 -18.1022 -18.1022 -6.3148 -6.3148 -5.9122 -5.9122 -5.6827 -5.6827 -5.6000 -5.6000 5.7919 5.7919 6.2373 6.2373 6.4925 6.4925 6.6036 6.6036 6.6371 6.6371 7.6097 7.6097 8.1407 8.1407 8.8982 8.8982 8.9151 8.9151 9.3574 9.3574 9.4501 9.4501 10.1363 10.1363 14.0289 14.0289 14.2389 14.2389 14.8589 14.8589 14.9085 14.9085 14.9302 14.9302 16.5873 16.5873 k = 0.0000 0.0000 0.4403 ( 2556 PWs) bands (ev): -42.6609 -42.6609 -42.6430 -42.6430 -20.4624 -20.4624 -20.3462 -20.3462 -18.5226 -18.5226 -18.4445 -18.4445 -18.3120 -18.3120 -18.1004 -18.1004 -6.2741 -6.2741 -5.8893 -5.8893 -5.7056 -5.7056 -5.6312 -5.6312 5.8391 5.8391 6.2917 6.2917 6.5491 6.5491 6.6082 6.6082 6.6418 6.6418 7.5447 7.5447 8.0696 8.0696 8.8401 8.8401 8.8594 8.8594 9.3792 9.3792 9.4681 9.4681 10.0859 10.0859 14.0384 14.0384 14.3077 14.3077 14.9331 14.9331 14.9493 14.9493 14.9541 14.9541 16.5280 16.5280 k = 0.0000 0.0000 0.4555 ( 2564 PWs) bands (ev): -42.6581 -42.6581 -42.6411 -42.6411 -20.4675 -20.4675 -20.3565 -20.3565 -18.5372 -18.5372 -18.4547 -18.4547 -18.3092 -18.3092 -18.0988 -18.0988 -6.2335 -6.2335 -5.8701 -5.8701 -5.7251 -5.7251 -5.6621 -5.6621 5.8848 5.8848 6.3427 6.3427 6.6072 6.6072 6.6151 6.6151 6.6482 6.6482 7.4837 7.4837 8.0019 8.0019 8.7812 8.7812 8.8025 8.8025 9.4000 9.4000 9.4854 9.4854 10.0327 10.0327 14.0505 14.0505 14.3783 14.3783 14.9580 14.9580 14.9753 14.9753 15.0432 15.0432 16.4677 16.4677 k = 0.0000 0.0000 0.4707 ( 2564 PWs) bands (ev): -42.6554 -42.6554 -42.6390 -42.6390 -20.4726 -20.4726 -20.3670 -20.3670 -18.5511 -18.5511 -18.4664 -18.4664 -18.3045 -18.3045 -18.0973 -18.0973 -6.1933 -6.1933 -5.8577 -5.8577 -5.7380 -5.7380 -5.6926 -5.6926 5.9287 5.9287 6.3893 6.3893 6.6241 6.6241 6.6546 6.6546 6.6688 6.6688 7.4276 7.4276 7.9376 7.9376 8.7217 8.7217 8.7449 8.7449 9.4198 9.4198 9.5017 9.5017 9.9770 9.9770 14.0652 14.0652 14.4507 14.4507 14.9833 14.9833 14.9981 14.9981 15.1358 15.1358 16.4064 16.4064 k = 0.0000 0.0000 0.4859 ( 2564 PWs) bands (ev): -42.6527 -42.6527 -42.6369 -42.6369 -20.4778 -20.4778 -20.3775 -20.3775 -18.5644 -18.5644 -18.4789 -18.4789 -18.2983 -18.2983 -18.0960 -18.0960 -6.1534 -6.1534 -5.8557 -5.8557 -5.7406 -5.7406 -5.7226 -5.7226 5.9705 5.9705 6.4304 6.4304 6.6354 6.6354 6.6650 6.6650 6.7295 6.7295 7.3773 7.3773 7.8772 7.8772 8.6621 8.6621 8.6868 8.6868 9.4385 9.4385 9.5170 9.5170 9.9186 9.9186 14.0825 14.0825 14.5249 14.5249 15.0086 15.0086 15.0209 15.0209 15.2283 15.2283 16.3443 16.3443 k = 0.0000 0.0000 0.5010 ( 2564 PWs) bands (ev): -42.6500 -42.6500 -42.6349 -42.6349 -20.4830 -20.4830 -20.3880 -20.3880 -18.5770 -18.5770 -18.4919 -18.4919 -18.2912 -18.2912 -18.0948 -18.0948 -6.1141 -6.1141 -5.8646 -5.8646 -5.7521 -5.7521 -5.7328 -5.7328 6.0099 6.0099 6.4650 6.4650 6.6485 6.6485 6.6761 6.6761 6.7926 6.7926 7.3342 7.3342 7.8210 7.8210 8.6025 8.6025 8.6286 8.6286 9.4559 9.4559 9.5311 9.5311 9.8578 9.8578 14.1024 14.1024 14.6006 14.6006 15.0341 15.0341 15.0435 15.0435 15.3206 15.3206 16.2814 16.2814 k = 0.0000 0.0000 0.5162 ( 2564 PWs) bands (ev): -42.6475 -42.6475 -42.6329 -42.6329 -20.4882 -20.4882 -20.3984 -20.3984 -18.5889 -18.5889 -18.5051 -18.5051 -18.2834 -18.2834 -18.0939 -18.0939 -6.0755 -6.0755 -5.8802 -5.8802 -5.7808 -5.7808 -5.7184 -5.7184 6.0465 6.0465 6.4924 6.4924 6.6628 6.6628 6.6887 6.6887 6.8574 6.8574 7.2994 7.2994 7.7693 7.7693 8.5432 8.5432 8.5704 8.5704 9.4722 9.4722 9.5440 9.5440 9.7946 9.7946 14.1249 14.1249 14.6778 14.6778 15.0596 15.0596 15.0657 15.0657 15.4119 15.4119 16.2180 16.2180 k = 0.0000 0.0000 0.5314 ( 2564 PWs) bands (ev): -42.6449 -42.6449 -42.6310 -42.6310 -20.4934 -20.4934 -20.4088 -20.4088 -18.6001 -18.6001 -18.5181 -18.5181 -18.2751 -18.2751 -18.0933 -18.0933 -6.0376 -6.0376 -5.8989 -5.8989 -5.8087 -5.8087 -5.7012 -5.7012 6.0800 6.0800 6.5123 6.5123 6.6774 6.6774 6.7026 6.7026 6.9237 6.9237 7.2740 7.2740 7.7222 7.7222 8.4843 8.4843 8.5126 8.5126 9.4872 9.4872 9.5556 9.5556 9.7292 9.7292 14.1500 14.1500 14.7561 14.7561 15.0854 15.0854 15.0874 15.0874 15.5021 15.5021 16.1541 16.1541 k = 0.0000 0.0000 0.5466 ( 2568 PWs) bands (ev): -42.6425 -42.6425 -42.6292 -42.6292 -20.4986 -20.4986 -20.4191 -20.4191 -18.6105 -18.6105 -18.5310 -18.5310 -18.2666 -18.2666 -18.0928 -18.0928 -6.0007 -6.0007 -5.9188 -5.9188 -5.8356 -5.8356 -5.6831 -5.6831 6.1101 6.1101 6.5242 6.5242 6.6916 6.6916 6.7178 6.7178 6.9914 6.9914 7.2589 7.2589 7.6800 7.6800 8.4260 8.4260 8.4552 8.4552 9.5011 9.5011 9.5659 9.5659 9.6617 9.6617 14.1777 14.1777 14.8349 14.8349 15.1085 15.1085 15.1116 15.1116 15.5901 15.5901 16.0901 16.0901 k = 0.0000 0.0000 0.5618 ( 2556 PWs) bands (ev): -42.6402 -42.6402 -42.6271 -42.6271 -20.5035 -20.5035 -20.4293 -20.4293 -18.6201 -18.6201 -18.5435 -18.5435 -18.2578 -18.2578 -18.0927 -18.0927 -5.9651 -5.9651 -5.9388 -5.9388 -5.8612 -5.8612 -5.6651 -5.6651 6.1368 6.1368 6.5283 6.5283 6.7055 6.7055 6.7343 6.7343 7.0606 7.0606 7.2537 7.2537 7.6429 7.6429 8.3686 8.3686 8.3985 8.3985 9.5139 9.5139 9.5733 9.5733 9.5940 9.5940 14.2079 14.2079 14.9134 14.9134 15.1288 15.1288 15.1391 15.1391 15.6752 15.6752 16.0269 16.0269 k = 0.0000 0.0000 0.5770 ( 2532 PWs) bands (ev): -42.6372 -42.6372 -42.6255 -42.6255 -20.5084 -20.5084 -20.4391 -20.4391 -18.6290 -18.6290 -18.5556 -18.5556 -18.2490 -18.2490 -18.0927 -18.0927 -5.9584 -5.9584 -5.9322 -5.9322 -5.8841 -5.8841 -5.6479 -5.6479 6.1597 6.1597 6.5245 6.5245 6.7197 6.7197 6.7519 6.7519 7.1311 7.1311 7.2577 7.2577 7.6108 7.6108 8.3122 8.3122 8.3427 8.3427 9.5192 9.5192 9.5257 9.5257 9.5847 9.5847 14.2405 14.2405 14.9893 14.9893 15.1483 15.1483 15.1698 15.1698 15.7544 15.7544 15.9663 15.9663 k = 0.0000 0.0000 0.5921 ( 2556 PWs) bands (ev): -42.6350 -42.6350 -42.6246 -42.6246 -20.5131 -20.5131 -20.4487 -20.4487 -18.6371 -18.6371 -18.5673 -18.5673 -18.2401 -18.2401 -18.0931 -18.0931 -5.9773 -5.9773 -5.9195 -5.9195 -5.8868 -5.8868 -5.6317 -5.6317 6.1790 6.1790 6.5138 6.5138 6.7350 6.7350 6.7705 6.7705 7.2029 7.2029 7.2692 7.2692 7.5838 7.5838 8.2570 8.2570 8.2878 8.2878 9.4463 9.4463 9.5364 9.5364 9.5915 9.5915 14.2756 14.2756 15.0582 15.0582 15.1667 15.1667 15.2074 15.2074 15.8138 15.8138 15.9219 15.9219 k = 0.0000 0.0000 0.6073 ( 2556 PWs) bands (ev): -42.6328 -42.6328 -42.6231 -42.6231 -20.5175 -20.5175 -20.4581 -20.4581 -18.6443 -18.6443 -18.5784 -18.5784 -18.2313 -18.2313 -18.0938 -18.0938 -5.9953 -5.9953 -5.9378 -5.9378 -5.8586 -5.8586 -5.6167 -5.6167 6.1946 6.1946 6.4973 6.4973 6.7517 6.7517 6.7899 6.7899 7.2760 7.2760 7.2861 7.2861 7.5616 7.5616 8.2033 8.2033 8.2343 8.2343 9.3714 9.3714 9.5462 9.5462 9.5976 9.5976 14.3129 14.3129 15.1140 15.1140 15.1841 15.1841 15.2583 15.2583 15.8004 15.8004 15.9461 15.9461 k = 0.0000 0.0000 0.6225 ( 2556 PWs) bands (ev): -42.6307 -42.6307 -42.6218 -42.6218 -20.5216 -20.5216 -20.4671 -20.4671 -18.6508 -18.6508 -18.5890 -18.5890 -18.2225 -18.2225 -18.0948 -18.0948 -6.0122 -6.0122 -5.9586 -5.9586 -5.8280 -5.8280 -5.6031 -5.6031 6.2069 6.2069 6.4767 6.4767 6.7699 6.7699 6.8100 6.8100 7.3066 7.3066 7.3503 7.3503 7.5440 7.5440 8.1512 8.1512 8.1822 8.1822 9.2950 9.2950 9.5552 9.5552 9.6028 9.6028 14.3525 14.3525 15.1539 15.1539 15.2003 15.2003 15.3246 15.3246 15.7443 15.7443 16.0082 16.0082 k = 0.0000 0.0000 0.6377 ( 2556 PWs) bands (ev): -42.6288 -42.6288 -42.6206 -42.6206 -20.5254 -20.5254 -20.4757 -20.4757 -18.6565 -18.6565 -18.5991 -18.5991 -18.2139 -18.2139 -18.0962 -18.0962 -6.0279 -6.0279 -5.9786 -5.9786 -5.7982 -5.7982 -5.5910 -5.5910 6.2162 6.2162 6.4536 6.4536 6.7894 6.7894 6.8305 6.8305 7.3291 7.3291 7.4257 7.4257 7.5306 7.5306 8.1011 8.1011 8.1318 8.1318 9.2172 9.2172 9.5633 9.5633 9.6072 9.6072 14.3942 14.3942 15.1827 15.1827 15.2152 15.2152 15.4013 15.4013 15.6813 15.6813 16.0715 16.0715 k = 0.0000 0.0000 0.6529 ( 2556 PWs) bands (ev): -42.6270 -42.6270 -42.6194 -42.6194 -20.5289 -20.5289 -20.4839 -20.4839 -18.6614 -18.6614 -18.6086 -18.6086 -18.2054 -18.2054 -18.0979 -18.0979 -6.0423 -6.0423 -5.9975 -5.9975 -5.7697 -5.7697 -5.5806 -5.5806 6.2228 6.2228 6.4292 6.4292 6.8100 6.8100 6.8512 6.8512 7.3523 7.3523 7.5011 7.5011 7.5219 7.5219 8.0533 8.0533 8.0833 8.0833 9.1383 9.1383 9.5707 9.5707 9.6108 9.6108 14.4381 14.4381 15.2051 15.2051 15.2287 15.2287 15.4830 15.4830 15.6169 15.6169 16.1300 16.1300 k = 0.0000 0.0000 0.6681 ( 2556 PWs) bands (ev): -42.6253 -42.6253 -42.6185 -42.6185 -20.5319 -20.5319 -20.4916 -20.4916 -18.6655 -18.6655 -18.6175 -18.6175 -18.1971 -18.1971 -18.0999 -18.0999 -6.0553 -6.0553 -6.0150 -6.0150 -5.7427 -5.7427 -5.5719 -5.5719 6.2272 6.2272 6.4047 6.4047 6.8311 6.8311 6.8718 6.8718 7.3752 7.3752 7.5134 7.5134 7.5805 7.5805 8.0081 8.0081 8.0371 8.0371 9.0583 9.0583 9.5774 9.5774 9.6136 9.6136 14.4839 14.4839 15.2236 15.2236 15.2407 15.2407 15.5522 15.5522 15.5668 15.5668 16.1817 16.1817 k = 0.0000 0.0000 0.6832 ( 2564 PWs) bands (ev): -42.6237 -42.6237 -42.6179 -42.6179 -20.5345 -20.5345 -20.4988 -20.4988 -18.6688 -18.6688 -18.6257 -18.6257 -18.1890 -18.1890 -18.1022 -18.1022 -6.0669 -6.0669 -6.0311 -6.0311 -5.7172 -5.7172 -5.5649 -5.5649 6.2300 6.2300 6.3808 6.3808 6.8526 6.8526 6.8919 6.8919 7.3972 7.3972 7.5094 7.5094 7.6588 7.6588 7.9658 7.9658 7.9934 7.9934 8.9773 8.9773 9.5834 9.5834 9.6157 9.6157 14.5316 14.5316 15.2393 15.2393 15.2508 15.2508 15.4878 15.4878 15.6508 15.6508 16.2254 16.2254 k = 0.0000 0.0000 0.6984 ( 2572 PWs) bands (ev): -42.6224 -42.6224 -42.6172 -42.6172 -20.5367 -20.5367 -20.5055 -20.5055 -18.6714 -18.6714 -18.6334 -18.6334 -18.1812 -18.1812 -18.1050 -18.1050 -6.0770 -6.0770 -6.0456 -6.0456 -5.6935 -5.6935 -5.5598 -5.5598 6.2317 6.2317 6.3581 6.3581 6.8739 6.8739 6.9111 6.9111 7.4176 7.4176 7.5070 7.5070 7.7381 7.7381 7.9270 7.9270 7.9526 7.9526 8.8956 8.8956 9.5888 9.5888 9.6172 9.6172 14.5811 14.5811 15.2529 15.2529 15.2582 15.2582 15.4249 15.4249 15.7339 15.7339 16.2599 16.2599 k = 0.0000 0.0000 0.7136 ( 2572 PWs) bands (ev): -42.6211 -42.6211 -42.6167 -42.6167 -20.5383 -20.5383 -20.5117 -20.5117 -18.6733 -18.6733 -18.6404 -18.6404 -18.1736 -18.1736 -18.1081 -18.1081 -6.0855 -6.0855 -6.0587 -6.0587 -5.6714 -5.6714 -5.5566 -5.5566 6.2329 6.2329 6.3370 6.3370 6.8947 6.8947 6.9290 6.9290 7.4360 7.4360 7.5060 7.5060 7.8179 7.8179 7.8925 7.8925 7.9153 7.9153 8.8133 8.8133 9.5938 9.5938 9.6182 9.6182 14.6324 14.6324 15.2607 15.2607 15.2646 15.2646 15.3660 15.3660 15.8151 15.8151 16.2845 16.2845 k = 0.0000 0.0000 0.7288 ( 2572 PWs) bands (ev): -42.6199 -42.6199 -42.6163 -42.6163 -20.5394 -20.5394 -20.5173 -20.5173 -18.6744 -18.6744 -18.6468 -18.6468 -18.1663 -18.1663 -18.1116 -18.1116 -6.0925 -6.0925 -6.0701 -6.0701 -5.6512 -5.6512 -5.5553 -5.5553 6.2340 6.2340 6.3177 6.3177 6.9144 6.9144 6.9449 6.9449 7.4523 7.4523 7.5056 7.5056 7.8597 7.8597 7.8818 7.8818 7.9011 7.9011 8.7304 8.7304 9.5982 9.5982 9.6185 9.6185 14.6852 14.6852 15.2482 15.2482 15.2745 15.2745 15.3210 15.3210 15.8933 15.8933 16.2985 16.2985 k = 0.0000 0.0000 0.7440 ( 2572 PWs) bands (ev): -42.6188 -42.6188 -42.6160 -42.6160 -20.5399 -20.5399 -20.5223 -20.5223 -18.6747 -18.6747 -18.6526 -18.6526 -18.1593 -18.1593 -18.1154 -18.1154 -6.0978 -6.0978 -6.0799 -6.0799 -5.6328 -5.6328 -5.5559 -5.5559 6.2355 6.2355 6.3004 6.3004 6.9325 6.9325 6.9583 6.9583 7.4663 7.4663 7.5055 7.5055 7.8352 7.8352 7.8528 7.8528 7.9817 7.9817 8.6472 8.6472 9.6021 9.6021 9.6184 9.6184 14.7395 14.7395 15.2064 15.2064 15.2828 15.2828 15.3045 15.3045 15.9677 15.9677 16.3016 16.3016 k = 0.0000 0.0000 0.7592 ( 2572 PWs) bands (ev): -42.6181 -42.6181 -42.6157 -42.6157 -20.5399 -20.5399 -20.5267 -20.5267 -18.6744 -18.6744 -18.6577 -18.6577 -18.1526 -18.1526 -18.1196 -18.1196 -6.1015 -6.1015 -6.0880 -6.0880 -5.6163 -5.6163 -5.5585 -5.5585 6.2378 6.2378 6.2853 6.2853 6.9483 6.9483 6.9686 6.9686 7.4778 7.4778 7.5051 7.5051 7.8153 7.8153 7.8289 7.8289 8.0638 8.0638 8.5637 8.5637 9.6056 9.6056 9.6178 9.6178 14.7953 14.7953 15.1498 15.1498 15.2895 15.2895 15.3020 15.3020 16.0372 16.0372 16.2934 16.2934 k = 0.0000 0.0000 0.7743 ( 2572 PWs) bands (ev): -42.6173 -42.6173 -42.6157 -42.6157 -20.5392 -20.5392 -20.5304 -20.5304 -18.6733 -18.6733 -18.6622 -18.6622 -18.1462 -18.1462 -18.1242 -18.1242 -6.1035 -6.1035 -6.0945 -6.0945 -5.6017 -5.6017 -5.5632 -5.5632 6.2413 6.2413 6.2724 6.2724 6.9613 6.9613 6.9753 6.9753 7.4870 7.4870 7.5041 7.5041 7.8013 7.8013 7.8105 7.8105 8.1464 8.1464 8.4801 8.4801 9.6086 9.6086 9.6168 9.6168 14.8523 14.8523 15.0899 15.0899 15.2947 15.2947 15.3020 15.3020 16.1007 16.1007 16.2745 16.2745 k = 0.0000 0.0000 0.7895 ( 2572 PWs) bands (ev): -42.6167 -42.6167 -42.6159 -42.6159 -20.5380 -20.5380 -20.5336 -20.5336 -18.6715 -18.6715 -18.6660 -18.6660 -18.1402 -18.1402 -18.1292 -18.1292 -6.1038 -6.1038 -6.0993 -6.0993 -5.5891 -5.5891 -5.5698 -5.5698 6.2463 6.2463 6.2617 6.2617 6.9708 6.9708 6.9780 6.9780 7.4939 7.4939 7.5022 7.5022 7.7937 7.7937 7.7984 7.7984 8.2295 8.2295 8.3964 8.3964 9.6113 9.6113 9.6154 9.6154 14.9105 14.9105 15.0296 15.0296 15.2984 15.2984 15.3019 15.3019 16.1571 16.1571 16.2449 16.2449 k = 0.0000 0.0000 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5361 -20.5361 -20.5361 -20.5361 -18.6691 -18.6691 -18.6691 -18.6691 -18.1345 -18.1345 -18.1345 -18.1345 -6.1024 -6.1024 -6.1024 -6.1024 -5.5784 -5.5784 -5.5784 -5.5784 6.2530 6.2530 6.2530 6.2530 6.9765 6.9765 6.9765 6.9765 7.4989 7.4989 7.4989 7.4989 7.7927 7.7927 7.7927 7.7927 8.3129 8.3129 8.3129 8.3129 9.6135 9.6135 9.6135 9.6135 14.9697 14.9697 14.9697 14.9697 15.3008 15.3008 15.3008 15.3008 16.2056 16.2056 16.2056 16.2056 k = 0.0000 0.0000 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5361 -20.5361 -20.5361 -20.5361 -18.6691 -18.6691 -18.6691 -18.6691 -18.1345 -18.1345 -18.1345 -18.1345 -6.1024 -6.1024 -6.1024 -6.1024 -5.5784 -5.5784 -5.5784 -5.5784 6.2530 6.2530 6.2530 6.2530 6.9765 6.9765 6.9765 6.9765 7.4989 7.4989 7.4989 7.4989 7.7927 7.7927 7.7927 7.7927 8.3129 8.3129 8.3129 8.3129 9.6135 9.6135 9.6135 9.6135 14.9697 14.9697 14.9697 14.9697 15.3008 15.3008 15.3008 15.3008 16.2056 16.2056 16.2056 16.2056 k = 0.0000 0.0152 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5380 -20.5380 -20.5342 -20.5342 -18.6727 -18.6727 -18.6655 -18.6655 -18.1354 -18.1354 -18.1335 -18.1335 -6.1068 -6.1068 -6.1022 -6.1022 -5.5809 -5.5809 -5.5713 -5.5713 6.2491 6.2491 6.2519 6.2519 6.9703 6.9703 6.9815 6.9815 7.4801 7.4801 7.5036 7.5036 7.7913 7.7913 7.8145 7.8145 8.3148 8.3148 8.3158 8.3158 9.6119 9.6119 9.6127 9.6127 14.9531 14.9531 14.9679 14.9679 15.3003 15.3003 15.3161 15.3161 16.2054 16.2054 16.2060 16.2060 k = 0.0000 0.0303 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5399 -20.5399 -20.5323 -20.5323 -18.6764 -18.6764 -18.6618 -18.6618 -18.1364 -18.1364 -18.1325 -18.1325 -6.1151 -6.1151 -6.1064 -6.1064 -5.5786 -5.5786 -5.5598 -5.5598 6.2403 6.2403 6.2456 6.2456 6.9632 6.9632 6.9846 6.9846 7.4536 7.4536 7.4933 7.4933 7.8109 7.8109 7.8508 7.8508 8.3215 8.3215 8.3234 8.3234 9.6078 9.6078 9.6094 9.6094 14.9219 14.9219 14.9480 14.9480 15.3144 15.3144 15.3424 15.3424 16.2055 16.2055 16.2067 16.2067 k = 0.0000 0.0455 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5419 -20.5419 -20.5305 -20.5305 -18.6800 -18.6800 -18.6582 -18.6582 -18.1372 -18.1372 -18.1314 -18.1314 -6.1270 -6.1270 -6.1147 -6.1147 -5.5719 -5.5719 -5.5444 -5.5444 6.2270 6.2270 6.2346 6.2346 6.9545 6.9545 6.9844 6.9844 7.4260 7.4260 7.4739 7.4739 7.8460 7.8460 7.8959 7.8959 8.3329 8.3329 8.3360 8.3360 9.6013 9.6013 9.6036 9.6036 14.8807 14.8807 14.9138 14.9138 15.3393 15.3393 15.3753 15.3753 16.2060 16.2060 16.2078 16.2078 k = 0.0000 0.0606 0.8047 ( 2568 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5438 -20.5438 -20.5287 -20.5287 -18.6836 -18.6836 -18.6547 -18.6547 -18.1380 -18.1380 -18.1303 -18.1303 -6.1417 -6.1417 -6.1266 -6.1266 -5.5610 -5.5610 -5.5258 -5.5258 6.2097 6.2097 6.2190 6.2190 6.9433 6.9433 6.9789 6.9789 7.4026 7.4026 7.4521 7.4521 7.8903 7.8903 7.9460 7.9460 8.3492 8.3492 8.3534 8.3534 9.5923 9.5923 9.5954 9.5954 14.8327 14.8327 14.8700 14.8700 15.3705 15.3705 15.4114 15.4114 16.2067 16.2067 16.2090 16.2090 k = 0.0000 0.0758 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5458 -20.5458 -20.5269 -20.5269 -18.6872 -18.6872 -18.6511 -18.6511 -18.1388 -18.1388 -18.1292 -18.1292 -6.1588 -6.1588 -6.1417 -6.1417 -5.5467 -5.5467 -5.5044 -5.5044 6.1890 6.1890 6.1995 6.1995 6.9285 6.9285 6.9665 6.9665 7.3866 7.3866 7.4328 7.4328 7.9394 7.9394 7.9988 7.9988 8.3704 8.3704 8.3757 8.3757 9.5810 9.5810 9.5847 9.5847 14.7800 14.7800 14.8195 14.8195 15.4048 15.4048 15.4489 15.4489 16.2077 16.2077 16.2105 16.2105 k = 0.0000 0.0909 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5477 -20.5477 -20.5252 -20.5252 -18.6907 -18.6907 -18.6477 -18.6477 -18.1395 -18.1395 -18.1280 -18.1280 -6.1777 -6.1777 -6.1592 -6.1592 -5.5294 -5.5294 -5.4809 -5.4809 6.1654 6.1654 6.1766 6.1766 6.9092 6.9092 6.9462 6.9462 7.3800 7.3800 7.4189 7.4189 7.9907 7.9907 8.0528 8.0528 8.3965 8.3965 8.4030 8.4030 9.5674 9.5674 9.5717 9.5717 14.7238 14.7238 14.7645 14.7645 15.4405 15.4405 15.4864 15.4864 16.2090 16.2090 16.2123 16.2123 k = 0.0000 0.1061 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5496 -20.5496 -20.5235 -20.5235 -18.6942 -18.6942 -18.6442 -18.6442 -18.1401 -18.1401 -18.1269 -18.1269 -6.1980 -6.1980 -6.1788 -6.1788 -5.5098 -5.5098 -5.4557 -5.4557 6.1394 6.1394 6.1510 6.1510 6.8848 6.8848 6.9183 6.9183 7.3827 7.3827 7.4117 7.4117 8.0426 8.0426 8.1068 8.1068 8.4276 8.4276 8.4352 8.4352 9.5515 9.5515 9.5563 9.5563 14.6649 14.6649 14.7062 14.7062 15.4764 15.4764 15.5235 15.5235 16.2106 16.2106 16.2143 16.2143 k = 0.0000 0.1212 0.8047 ( 2568 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5515 -20.5515 -20.5218 -20.5218 -18.6976 -18.6976 -18.6409 -18.6409 -18.1407 -18.1407 -18.1257 -18.1257 -6.2191 -6.2191 -6.1997 -6.1997 -5.4883 -5.4883 -5.4293 -5.4293 6.1117 6.1117 6.1232 6.1232 6.8555 6.8555 6.8841 6.8841 7.3936 7.3936 7.4117 7.4117 8.0939 8.0939 8.1600 8.1600 8.4637 8.4637 8.4725 8.4725 9.5334 9.5334 9.5387 9.5387 14.6039 14.6039 14.6453 14.6453 15.5117 15.5117 15.5596 15.5596 16.2125 16.2125 16.2165 16.2165 k = 0.0000 0.1364 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5534 -20.5534 -20.5202 -20.5202 -18.7009 -18.7009 -18.6376 -18.6376 -18.1413 -18.1413 -18.1245 -18.1245 -6.2408 -6.2408 -6.2216 -6.2216 -5.4656 -5.4656 -5.4021 -5.4021 6.0826 6.0826 6.0937 6.0937 6.8218 6.8218 6.8453 6.8453 7.4113 7.4113 7.4183 7.4183 8.1440 8.1440 8.2117 8.2117 8.5047 8.5047 8.5145 8.5145 9.5131 9.5131 9.5188 9.5188 14.5410 14.5410 14.5824 14.5824 15.5462 15.5462 15.5944 15.5944 16.2146 16.2146 16.2189 16.2189 k = 0.0000 0.1515 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5553 -20.5553 -20.5187 -20.5187 -18.7042 -18.7042 -18.6345 -18.6345 -18.1417 -18.1417 -18.1233 -18.1233 -6.2629 -6.2629 -6.2442 -6.2442 -5.4419 -5.4419 -5.3744 -5.3744 6.0525 6.0525 6.0631 6.0631 6.7848 6.7848 6.8036 6.8036 7.4307 7.4307 7.4341 7.4341 8.1923 8.1923 8.2615 8.2615 8.5505 8.5505 8.5611 8.5611 9.4908 9.4908 9.4968 9.4968 14.4768 14.4768 14.5180 14.5180 15.5796 15.5796 15.6279 15.6279 16.2170 16.2170 16.2215 16.2215 k = 0.0000 0.1667 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5571 -20.5571 -20.5172 -20.5172 -18.7074 -18.7074 -18.6314 -18.6314 -18.1422 -18.1422 -18.1221 -18.1221 -6.2849 -6.2849 -6.2670 -6.2670 -5.4177 -5.4177 -5.3464 -5.3464 6.0219 6.0219 6.0318 6.0318 6.7454 6.7454 6.7601 6.7601 7.4481 7.4481 7.4609 7.4609 8.2386 8.2386 8.3091 8.3091 8.6006 8.6006 8.6118 8.6118 9.4666 9.4666 9.4727 9.4727 14.4115 14.4115 14.4523 14.4523 15.6117 15.6117 15.6599 15.6599 16.2196 16.2196 16.2242 16.2242 k = 0.0000 0.1818 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5589 -20.5589 -20.5158 -20.5158 -18.7105 -18.7105 -18.6284 -18.6284 -18.1425 -18.1425 -18.1210 -18.1210 -6.3069 -6.3069 -6.2899 -6.2899 -5.3931 -5.3931 -5.3183 -5.3183 5.9911 5.9911 6.0001 6.0001 6.7044 6.7044 6.7158 6.7158 7.4695 7.4695 7.4908 7.4908 8.2828 8.2828 8.3547 8.3547 8.6543 8.6543 8.6660 8.6660 9.4405 9.4405 9.4467 9.4467 14.3453 14.3453 14.3857 14.3857 15.6425 15.6425 15.6903 15.6903 16.2224 16.2224 16.2270 16.2270 k = 0.0000 0.1970 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5607 -20.5607 -20.5144 -20.5144 -18.7135 -18.7135 -18.6255 -18.6255 -18.1429 -18.1429 -18.1198 -18.1198 -6.3285 -6.3285 -6.3126 -6.3126 -5.3685 -5.3685 -5.2905 -5.2905 5.9603 5.9603 5.9685 5.9685 6.6628 6.6628 6.6714 6.6714 7.4943 7.4943 7.5232 7.5232 8.3251 8.3251 8.3981 8.3981 8.7111 8.7111 8.7232 8.7232 9.4127 9.4127 9.4188 9.4188 14.2785 14.2785 14.3185 14.3185 15.6718 15.6718 15.7192 15.7192 16.2255 16.2255 16.2300 16.2300 k = 0.0000 0.2121 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5624 -20.5624 -20.5131 -20.5131 -18.7164 -18.7164 -18.6227 -18.6227 -18.1431 -18.1431 -18.1187 -18.1187 -6.3497 -6.3497 -6.3349 -6.3349 -5.3440 -5.3440 -5.2630 -5.2630 5.9299 5.9299 5.9370 5.9370 6.6209 6.6209 6.6276 6.6276 7.5218 7.5218 7.5575 7.5575 8.3654 8.3654 8.4397 8.4397 8.7700 8.7700 8.7825 8.7825 9.3834 9.3834 9.3893 9.3893 14.2114 14.2114 14.2509 14.2509 15.6996 15.6996 15.7464 15.7464 16.2288 16.2288 16.2331 16.2331 k = 0.0000 0.2273 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5640 -20.5640 -20.5118 -20.5118 -18.7192 -18.7192 -18.6200 -18.6200 -18.1434 -18.1434 -18.1175 -18.1175 -6.3704 -6.3704 -6.3567 -6.3567 -5.3198 -5.3198 -5.2361 -5.2361 5.8999 5.8999 5.9061 5.9061 6.5795 6.5795 6.5846 6.5846 7.5515 7.5515 7.5935 7.5935 8.4039 8.4039 8.4795 8.4795 8.8304 8.8304 8.8433 8.8433 9.3526 9.3526 9.3582 9.3582 14.1443 14.1443 14.1834 14.1834 15.7260 15.7260 15.7719 15.7719 16.2322 16.2322 16.2363 16.2363 k = 0.0000 0.2424 0.8047 ( 2568 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5656 -20.5656 -20.5106 -20.5106 -18.7218 -18.7218 -18.6175 -18.6175 -18.1436 -18.1436 -18.1164 -18.1164 -6.3903 -6.3903 -6.3779 -6.3779 -5.2962 -5.2962 -5.2098 -5.2098 5.8706 5.8706 5.8760 5.8760 6.5389 6.5389 6.5428 6.5428 7.5832 7.5832 7.6308 7.6308 8.4405 8.4405 8.5175 8.5175 8.8915 8.8915 8.9049 8.9049 9.3207 9.3207 9.3260 9.3260 14.0774 14.0774 14.1160 14.1160 15.7508 15.7508 15.7958 15.7958 16.2358 16.2358 16.2395 16.2395 k = 0.0000 0.2576 0.8047 ( 2568 PWs) bands (ev): -42.6162 -42.6162 -42.6161 -42.6161 -20.5672 -20.5672 -20.5095 -20.5095 -18.7244 -18.7244 -18.6150 -18.6150 -18.1437 -18.1437 -18.1154 -18.1154 -6.4095 -6.4095 -6.3983 -6.3983 -5.2732 -5.2732 -5.1843 -5.1843 5.8423 5.8423 5.8467 5.8467 6.4993 6.4993 6.5026 6.5026 7.6164 7.6164 7.6694 7.6694 8.4754 8.4754 8.5538 8.5538 8.9524 8.9524 8.9667 8.9667 9.2880 9.2880 9.2929 9.2929 14.0111 14.0111 14.0493 14.0493 15.7740 15.7740 15.8181 15.8181 16.2394 16.2394 16.2427 16.2427 k = 0.0000 0.2727 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5686 -20.5686 -20.5084 -20.5084 -18.7268 -18.7268 -18.6128 -18.6128 -18.1438 -18.1438 -18.1143 -18.1143 -6.4279 -6.4279 -6.4179 -6.4179 -5.2509 -5.2509 -5.1598 -5.1598 5.8149 5.8149 5.8186 5.8186 6.4612 6.4612 6.4640 6.4640 7.6509 7.6509 7.7090 7.7090 8.5084 8.5084 8.5882 8.5882 9.0120 9.0120 9.0276 9.0276 9.2550 9.2550 9.2598 9.2598 13.9456 13.9456 13.9835 13.9835 15.7958 15.7958 15.8388 15.8388 16.2432 16.2432 16.2459 16.2459 k = 0.0000 0.2879 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5700 -20.5700 -20.5074 -20.5074 -18.7291 -18.7291 -18.6106 -18.6106 -18.1439 -18.1439 -18.1134 -18.1134 -6.4454 -6.4454 -6.4365 -6.4365 -5.2296 -5.2296 -5.1363 -5.1363 5.7888 5.7888 5.7916 5.7916 6.4247 6.4247 6.4272 6.4272 7.6865 7.6865 7.7495 7.7495 8.5394 8.5394 8.6206 8.6206 9.0678 9.0678 9.0859 9.0859 9.2233 9.2233 9.2289 9.2289 13.8815 13.8815 13.9189 13.9189 15.8160 15.8160 15.8579 15.8579 16.2470 16.2470 16.2491 16.2491 k = 0.0000 0.3030 0.8047 ( 2560 PWs) bands (ev): -42.6160 -42.6160 -42.6160 -42.6160 -20.5714 -20.5714 -20.5065 -20.5065 -18.7312 -18.7312 -18.6086 -18.6086 -18.1439 -18.1439 -18.1124 -18.1124 -6.4618 -6.4618 -6.4541 -6.4541 -5.2093 -5.2093 -5.1140 -5.1140 5.7639 5.7639 5.7661 5.7661 6.3901 6.3901 6.3925 6.3925 7.7228 7.7228 7.7908 7.7908 8.5683 8.5683 8.6508 8.6508 9.1103 9.1103 9.1323 9.1323 9.2019 9.2019 9.2094 9.2094 13.8189 13.8189 13.8561 13.8561 15.8347 15.8347 15.8755 15.8755 16.2508 16.2508 16.2523 16.2523 k = 0.0000 0.3182 0.8047 ( 2560 PWs) bands (ev): -42.6160 -42.6160 -42.6160 -42.6160 -20.5726 -20.5726 -20.5056 -20.5056 -18.7332 -18.7332 -18.6067 -18.6067 -18.1440 -18.1440 -18.1115 -18.1115 -6.4773 -6.4773 -6.4707 -6.4707 -5.1901 -5.1901 -5.0929 -5.0929 5.7405 5.7405 5.7420 5.7420 6.3575 6.3575 6.3599 6.3599 7.7597 7.7597 7.8327 7.8327 8.5949 8.5949 8.6784 8.6784 9.1144 9.1144 9.1313 9.1313 9.2261 9.2261 9.2264 9.2264 13.7584 13.7584 13.7953 13.7953 15.8520 15.8520 15.8915 15.8915 16.2546 16.2546 16.2553 16.2553 k = 0.0000 0.3333 0.8047 ( 2560 PWs) bands (ev): -42.6160 -42.6160 -42.6160 -42.6160 -20.5738 -20.5738 -20.5048 -20.5048 -18.7351 -18.7351 -18.6050 -18.6050 -18.1440 -18.1440 -18.1107 -18.1107 -6.4917 -6.4917 -6.4861 -6.4861 -5.1721 -5.1721 -5.0731 -5.0731 5.7186 5.7186 5.7195 5.7195 6.3270 6.3270 6.3296 6.3296 7.7970 7.7970 7.8750 7.8750 8.6189 8.6189 8.7031 8.7031 9.0892 9.0892 9.1027 9.1027 9.2708 9.2708 9.2762 9.2762 13.7003 13.7003 13.7369 13.7369 15.8677 15.8677 15.9061 15.9061 16.2583 16.2583 16.2583 16.2583 k = 0.0000 0.3485 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5749 -20.5749 -20.5041 -20.5041 -18.7368 -18.7368 -18.6034 -18.6034 -18.1440 -18.1440 -18.1100 -18.1100 -6.5050 -6.5050 -6.5003 -6.5003 -5.1554 -5.1554 -5.0548 -5.0548 5.6983 5.6983 5.6986 5.6986 6.2988 6.2988 6.3015 6.3015 7.8343 7.8343 7.9175 7.9175 8.6400 8.6400 8.7242 8.7242 9.0573 9.0573 9.0706 9.0706 9.3203 9.3203 9.3280 9.3280 13.6451 13.6451 13.6814 13.6814 15.8820 15.8820 15.9191 15.9191 16.2611 16.2611 16.2618 16.2618 k = 0.0000 0.3636 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5758 -20.5758 -20.5035 -20.5035 -18.7384 -18.7384 -18.6019 -18.6019 -18.1439 -18.1439 -18.1093 -18.1093 -6.5171 -6.5171 -6.5133 -6.5133 -5.1400 -5.1400 -5.0380 -5.0380 5.6795 5.6795 5.6797 5.6797 6.2729 6.2729 6.2760 6.2760 7.8712 7.8712 7.9600 7.9600 8.6578 8.6578 8.7409 8.7409 9.0253 9.0253 9.0388 9.0388 9.3688 9.3688 9.3778 9.3778 13.5932 13.5932 13.6293 13.6293 15.8948 15.8948 15.9308 15.9308 16.2638 16.2638 16.2653 16.2653 k = 0.0000 0.3788 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5767 -20.5767 -20.5029 -20.5029 -18.7398 -18.7398 -18.6007 -18.6007 -18.1439 -18.1439 -18.1086 -18.1086 -6.5280 -6.5280 -6.5250 -6.5250 -5.1261 -5.1261 -5.0228 -5.0228 5.6623 5.6623 5.6629 5.6629 6.2496 6.2496 6.2529 6.2529 7.9075 7.9075 8.0023 8.0023 8.6720 8.6720 8.7519 8.7519 8.9958 8.9958 9.0088 9.0088 9.4147 9.4147 9.4243 9.4243 13.5450 13.5450 13.5811 13.5811 15.9063 15.9063 15.9411 15.9411 16.2663 16.2663 16.2685 16.2685 k = 0.0000 0.3939 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5775 -20.5775 -20.5024 -20.5024 -18.7410 -18.7410 -18.5995 -18.5995 -18.1439 -18.1439 -18.1080 -18.1080 -6.5377 -6.5377 -6.5354 -6.5354 -5.1136 -5.1136 -5.0092 -5.0092 5.6469 5.6469 5.6479 5.6479 6.2288 6.2288 6.2324 6.2324 7.9426 7.9426 8.0439 8.0439 8.6820 8.6820 8.7555 8.7555 8.9715 8.9715 8.9818 8.9818 9.4568 9.4568 9.4670 9.4670 13.5011 13.5011 13.5370 13.5370 15.9163 15.9163 15.9501 15.9501 16.2686 16.2686 16.2714 16.2714 k = 0.0000 0.4091 0.8047 ( 2586 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5782 -20.5782 -20.5019 -20.5019 -18.7421 -18.7421 -18.5985 -18.5985 -18.1439 -18.1439 -18.1076 -18.1076 -6.5462 -6.5462 -6.5445 -6.5445 -5.1027 -5.1027 -4.9973 -4.9973 5.6334 5.6334 5.6347 5.6347 6.2106 6.2106 6.2146 6.2146 7.9759 7.9759 8.0842 8.0842 8.6875 8.6875 8.7507 8.7507 8.9539 8.9539 8.9587 8.9587 9.4947 9.4947 9.5052 9.5052 13.4620 13.4620 13.4978 13.4978 15.9249 15.9249 15.9578 15.9578 16.2706 16.2706 16.2741 16.2741 k = 0.0000 0.4242 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5788 -20.5788 -20.5015 -20.5015 -18.7430 -18.7430 -18.5977 -18.5977 -18.1438 -18.1438 -18.1071 -18.1071 -6.5534 -6.5534 -6.5522 -6.5522 -5.0934 -5.0934 -4.9872 -4.9872 5.6220 5.6220 5.6236 5.6236 6.1952 6.1952 6.1994 6.1994 8.0068 8.0068 8.1226 8.1226 8.6885 8.6885 8.7379 8.7379 8.9402 8.9402 8.9437 8.9437 9.5277 9.5277 9.5384 9.5384 13.4280 13.4280 13.4637 13.4637 15.9322 15.9322 15.9643 15.9643 16.2723 16.2723 16.2764 16.2764 k = 0.0000 0.4394 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5793 -20.5793 -20.5012 -20.5012 -18.7438 -18.7438 -18.5970 -18.5970 -18.1438 -18.1438 -18.1068 -18.1068 -6.5593 -6.5593 -6.5586 -6.5586 -5.0858 -5.0858 -4.9788 -4.9788 5.6126 5.6126 5.6143 5.6143 6.1825 6.1825 6.1869 6.1869 8.0342 8.0342 8.1579 8.1579 8.6857 8.6857 8.7196 8.7196 8.9265 8.9265 8.9391 8.9391 9.5553 9.5553 9.5663 9.5663 13.3995 13.3995 13.4352 13.4352 15.9381 15.9381 15.9695 15.9695 16.2738 16.2738 16.2783 16.2783 k = 0.0000 0.4545 0.8047 ( 2584 PWs) bands (ev): -42.6164 -42.6164 -42.6163 -42.6163 -20.5797 -20.5797 -20.5010 -20.5010 -18.7443 -18.7443 -18.5965 -18.5965 -18.1437 -18.1437 -18.1065 -18.1065 -6.5639 -6.5639 -6.5635 -6.5635 -5.0798 -5.0798 -4.9723 -4.9723 5.6052 5.6052 5.6072 5.6072 6.1725 6.1725 6.1772 6.1772 8.0573 8.0573 8.1888 8.1888 8.6805 8.6805 8.6995 8.6995 8.9172 8.9172 8.9380 8.9380 9.5773 9.5773 9.5884 9.5884 13.3769 13.3769 13.4126 13.4126 15.9428 15.9428 15.9736 15.9736 16.2750 16.2750 16.2799 16.2799 k = 0.0000 0.4697 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5799 -20.5799 -20.5008 -20.5008 -18.7448 -18.7448 -18.5961 -18.5961 -18.1437 -18.1437 -18.1063 -18.1063 -6.5672 -6.5672 -6.5671 -6.5671 -5.0755 -5.0755 -4.9676 -4.9676 5.5999 5.5999 5.6020 5.6020 6.1654 6.1654 6.1702 6.1702 8.0748 8.0748 8.2134 8.2134 8.6748 8.6748 8.6814 8.6814 8.9115 8.9115 8.9385 8.9385 9.5932 9.5932 9.6044 9.6044 13.3606 13.3606 13.3962 13.3962 15.9460 15.9460 15.9765 15.9765 16.2759 16.2759 16.2810 16.2810 k = 0.0000 0.4848 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5801 -20.5801 -20.5007 -20.5007 -18.7450 -18.7450 -18.5958 -18.5958 -18.1437 -18.1437 -18.1062 -18.1062 -6.5692 -6.5692 -6.5692 -6.5692 -5.0729 -5.0729 -4.9648 -4.9648 5.5967 5.5967 5.5989 5.5989 6.1612 6.1612 6.1660 6.1660 8.0859 8.0859 8.2295 8.2295 8.6688 8.6688 8.6704 8.6704 8.9085 8.9085 8.9391 8.9391 9.6029 9.6029 9.6141 9.6141 13.3507 13.3507 13.3863 13.3863 15.9480 15.9480 15.9782 15.9782 16.2764 16.2764 16.2817 16.2817 k = 0.0000 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5801 -20.5801 -20.5007 -20.5007 -18.7451 -18.7451 -18.5958 -18.5958 -18.1437 -18.1437 -18.1061 -18.1061 -6.5699 -6.5699 -6.5698 -6.5698 -5.0720 -5.0720 -4.9638 -4.9638 5.5957 5.5957 5.5979 5.5979 6.1597 6.1597 6.1646 6.1646 8.0897 8.0897 8.2351 8.2351 8.6643 8.6643 8.6688 8.6688 8.9076 8.9076 8.9394 8.9394 9.6061 9.6061 9.6173 9.6173 13.3474 13.3474 13.3830 13.3830 15.9486 15.9486 15.9787 15.9787 16.2765 16.2765 16.2819 16.2819 k = 0.0000 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5801 -20.5801 -20.5007 -20.5007 -18.7451 -18.7451 -18.5958 -18.5958 -18.1437 -18.1437 -18.1061 -18.1061 -6.5699 -6.5699 -6.5698 -6.5698 -5.0720 -5.0720 -4.9638 -4.9638 5.5957 5.5957 5.5979 5.5979 6.1597 6.1597 6.1646 6.1646 8.0897 8.0897 8.2351 8.2351 8.6643 8.6643 8.6688 8.6688 8.9076 8.9076 8.9394 8.9394 9.6061 9.6061 9.6173 9.6173 13.3474 13.3474 13.3830 13.3830 15.9486 15.9486 15.9787 15.9787 16.2765 16.2765 16.2819 16.2819 k = 0.0152 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5801 -20.5801 -20.5007 -20.5007 -18.7450 -18.7450 -18.5958 -18.5958 -18.1437 -18.1437 -18.1062 -18.1062 -6.5693 -6.5693 -6.5692 -6.5692 -5.0728 -5.0728 -4.9647 -4.9647 5.5965 5.5965 5.5987 5.5987 6.1610 6.1610 6.1659 6.1659 8.0844 8.0844 8.2277 8.2277 8.6661 8.6661 8.6738 8.6738 8.9084 8.9084 8.9392 8.9392 9.6068 9.6068 9.6181 9.6181 13.3490 13.3490 13.3846 13.3846 15.9472 15.9472 15.9774 15.9774 16.2766 16.2766 16.2819 16.2819 k = 0.0303 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5799 -20.5799 -20.5008 -20.5008 -18.7448 -18.7448 -18.5961 -18.5961 -18.1438 -18.1438 -18.1063 -18.1063 -6.5674 -6.5674 -6.5672 -6.5672 -5.0752 -5.0752 -4.9673 -4.9673 5.5990 5.5990 5.6012 5.6012 6.1648 6.1648 6.1699 6.1699 8.0690 8.0690 8.2065 8.2065 8.6709 8.6709 8.6875 8.6875 8.9110 8.9110 8.9386 8.9386 9.6089 9.6089 9.6204 9.6204 13.3537 13.3537 13.3894 13.3894 15.9428 15.9428 15.9735 15.9735 16.2768 16.2768 16.2817 16.2817 k = 0.0455 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5797 -20.5797 -20.5010 -20.5010 -18.7444 -18.7444 -18.5965 -18.5965 -18.1438 -18.1438 -18.1066 -18.1066 -6.5643 -6.5643 -6.5638 -6.5638 -5.0790 -5.0790 -4.9716 -4.9716 5.6030 5.6030 5.6053 5.6053 6.1711 6.1711 6.1766 6.1766 8.0446 8.0446 8.1742 8.1742 8.6770 8.6770 8.7064 8.7064 8.9160 8.9160 8.9383 8.9383 9.6125 9.6125 9.6242 9.6242 13.3616 13.3616 13.3974 13.3974 15.9355 15.9355 15.9670 15.9670 16.2770 16.2770 16.2814 16.2814 k = 0.0606 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5793 -20.5793 -20.5013 -20.5013 -18.7438 -18.7438 -18.5970 -18.5970 -18.1439 -18.1439 -18.1069 -18.1069 -6.5600 -6.5600 -6.5592 -6.5592 -5.0845 -5.0845 -4.9776 -4.9776 5.6087 5.6087 5.6110 5.6110 6.1799 6.1799 6.1859 6.1859 8.0127 8.0127 8.1337 8.1337 8.6823 8.6823 8.7266 8.7266 8.9240 8.9240 8.9395 8.9395 9.6177 9.6177 9.6297 9.6297 13.3726 13.3726 13.4086 13.4086 15.9252 15.9252 15.9577 15.9577 16.2774 16.2774 16.2810 16.2810 k = 0.0758 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5788 -20.5788 -20.5016 -20.5016 -18.7431 -18.7431 -18.5978 -18.5978 -18.1440 -18.1440 -18.1073 -18.1073 -6.5544 -6.5544 -6.5532 -6.5532 -5.0914 -5.0914 -4.9852 -4.9852 5.6160 5.6160 5.6184 5.6184 6.1912 6.1912 6.1978 6.1978 7.9746 7.9746 8.0874 8.0874 8.6845 8.6845 8.7438 8.7438 8.9357 8.9357 8.9439 8.9439 9.6245 9.6245 9.6369 9.6369 13.3867 13.3867 13.4228 13.4228 15.9121 15.9121 15.9458 15.9458 16.2779 16.2779 16.2806 16.2806 k = 0.0909 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5783 -20.5783 -20.5020 -20.5020 -18.7422 -18.7422 -18.5986 -18.5986 -18.1442 -18.1442 -18.1079 -18.1079 -6.5476 -6.5476 -6.5460 -6.5460 -5.0998 -5.0998 -4.9945 -4.9945 5.6249 5.6249 5.6274 5.6274 6.2050 6.2050 6.2124 6.2124 7.9319 7.9319 8.0369 8.0369 8.6824 8.6824 8.7545 8.7545 8.9512 8.9512 8.9534 8.9534 9.6330 9.6330 9.6458 9.6458 13.4038 13.4038 13.4401 13.4401 15.8961 15.8961 15.9312 15.9312 16.2785 16.2785 16.2803 16.2803 k = 0.1061 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5776 -20.5776 -20.5024 -20.5024 -18.7412 -18.7412 -18.5996 -18.5996 -18.1443 -18.1443 -18.1084 -18.1084 -6.5397 -6.5397 -6.5374 -6.5374 -5.1096 -5.1096 -5.0053 -5.0053 5.6353 5.6353 5.6379 5.6379 6.2213 6.2213 6.2295 6.2295 7.8854 7.8854 7.9835 7.9835 8.6752 8.6752 8.7567 8.7567 8.9686 8.9686 8.9700 8.9700 9.6434 9.6434 9.6565 9.6565 13.4238 13.4238 13.4604 13.4604 15.8773 15.8773 15.9138 15.9138 16.2793 16.2793 16.2801 16.2801 k = 0.1212 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5768 -20.5768 -20.5030 -20.5030 -18.7400 -18.7400 -18.6008 -18.6008 -18.1445 -18.1445 -18.1091 -18.1091 -6.5306 -6.5306 -6.5277 -6.5277 -5.1208 -5.1208 -5.0177 -5.0177 5.6472 5.6472 5.6501 5.6501 6.2400 6.2400 6.2491 6.2491 7.8360 7.8360 7.9278 7.9278 8.6631 8.6631 8.7505 8.7505 8.9888 8.9888 8.9912 8.9912 9.6557 9.6557 9.6691 9.6691 13.4466 13.4466 13.4835 13.4835 15.8557 15.8557 15.8937 15.8937 16.2800 16.2800 16.2802 16.2802 k = 0.1364 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5760 -20.5760 -20.5036 -20.5036 -18.7387 -18.7387 -18.6022 -18.6022 -18.1447 -18.1447 -18.1099 -18.1099 -6.5204 -6.5204 -6.5167 -6.5167 -5.1334 -5.1334 -5.0316 -5.0316 5.6606 5.6606 5.6637 5.6637 6.2610 6.2610 6.2712 6.2712 7.7845 7.7845 7.8706 7.8706 8.6463 8.6463 8.7370 8.7370 9.0121 9.0121 9.0139 9.0139 9.6700 9.6700 9.6836 9.6836 13.4722 13.4722 13.5094 13.5094 15.8314 15.8314 15.8708 15.8708 16.2801 16.2801 16.2812 16.2812 k = 0.1515 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5750 -20.5750 -20.5043 -20.5043 -18.7372 -18.7372 -18.6037 -18.6037 -18.1448 -18.1448 -18.1107 -18.1107 -6.5091 -6.5091 -6.5046 -6.5046 -5.1472 -5.1472 -5.0470 -5.0470 5.6755 5.6755 5.6788 5.6788 6.2845 6.2845 6.2957 6.2957 7.7314 7.7314 7.8122 7.8122 8.6253 8.6253 8.7177 8.7177 9.0367 9.0367 9.0371 9.0371 9.6864 9.6864 9.6999 9.6999 13.5004 13.5004 13.5379 13.5379 15.8045 15.8045 15.8453 15.8453 16.2804 16.2804 16.2823 16.2823 k = 0.1667 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5740 -20.5740 -20.5050 -20.5050 -18.7355 -18.7355 -18.6053 -18.6053 -18.1450 -18.1450 -18.1117 -18.1117 -6.4967 -6.4967 -6.4914 -6.4914 -5.1622 -5.1622 -5.0636 -5.0636 5.6918 5.6918 5.6954 5.6954 6.3102 6.3102 6.3226 6.3226 7.6770 7.6770 7.7531 7.7531 8.6006 8.6006 8.6937 8.6937 9.0602 9.0602 9.0614 9.0614 9.7046 9.7046 9.7179 9.7179 13.5311 13.5311 13.5690 13.5690 15.7749 15.7749 15.8170 15.8170 16.2810 16.2810 16.2836 16.2836 k = 0.1818 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5729 -20.5729 -20.5059 -20.5059 -18.7337 -18.7337 -18.6071 -18.6071 -18.1452 -18.1452 -18.1126 -18.1126 -6.4834 -6.4834 -6.4771 -6.4771 -5.1784 -5.1784 -5.0816 -5.0816 5.7095 5.7095 5.7135 5.7135 6.3381 6.3381 6.3517 6.3517 7.6218 7.6218 7.6934 7.6934 8.5726 8.5726 8.6657 8.6657 9.0826 9.0826 9.0852 9.0852 9.7248 9.7248 9.7377 9.7377 13.5642 13.5642 13.6025 13.6025 15.7429 15.7429 15.7862 15.7862 16.2817 16.2817 16.2849 16.2849 k = 0.1970 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5716 -20.5716 -20.5068 -20.5068 -18.7318 -18.7318 -18.6090 -18.6090 -18.1453 -18.1453 -18.1137 -18.1137 -6.4691 -6.4691 -6.4618 -6.4618 -5.1955 -5.1955 -5.1007 -5.1007 5.7286 5.7286 5.7329 5.7329 6.3682 6.3682 6.3829 6.3829 7.5661 7.5661 7.6335 7.6335 8.5416 8.5416 8.6343 8.6343 9.1038 9.1038 9.1077 9.1077 9.7466 9.7466 9.7590 9.7590 13.5996 13.5996 13.6383 13.6383 15.7085 15.7085 15.7530 15.7530 16.2826 16.2826 16.2863 16.2863 k = 0.2121 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5703 -20.5703 -20.5077 -20.5077 -18.7297 -18.7297 -18.6111 -18.6111 -18.1454 -18.1454 -18.1148 -18.1148 -6.4538 -6.4538 -6.4456 -6.4456 -5.2136 -5.2136 -5.1210 -5.1210 5.7489 5.7489 5.7538 5.7538 6.4003 6.4003 6.4162 6.4162 7.5102 7.5102 7.5735 7.5735 8.5078 8.5078 8.5998 8.5998 9.1238 9.1238 9.1285 9.1285 9.7698 9.7698 9.7816 9.7816 13.6372 13.6372 13.6763 13.6763 15.6719 15.6719 15.7173 15.7173 16.2837 16.2837 16.2878 16.2878 k = 0.2273 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5690 -20.5690 -20.5088 -20.5088 -18.7275 -18.7275 -18.6133 -18.6133 -18.1455 -18.1455 -18.1160 -18.1160 -6.4378 -6.4378 -6.4286 -6.4286 -5.2326 -5.2326 -5.1422 -5.1422 5.7706 5.7706 5.7760 5.7760 6.4344 6.4344 6.4513 6.4513 7.4542 7.4542 7.5136 7.5136 8.4715 8.4715 8.5627 8.5627 9.1424 9.1424 9.1477 9.1477 9.7943 9.7943 9.8053 9.8053 13.6767 13.6767 13.7162 13.7162 15.6331 15.6331 15.6794 15.6794 16.2850 16.2850 16.2894 16.2894 k = 0.2424 0.5000 0.8047 ( 2600 PWs) bands (ev): -42.6165 -42.6165 -42.6165 -42.6165 -20.5676 -20.5676 -20.5099 -20.5099 -18.7252 -18.7252 -18.6157 -18.6157 -18.1456 -18.1456 -18.1172 -18.1172 -6.4210 -6.4210 -6.4107 -6.4107 -5.2523 -5.2523 -5.1644 -5.1644 5.7935 5.7935 5.7994 5.7994 6.4703 6.4703 6.4881 6.4881 7.3985 7.3985 7.4540 7.4540 8.4331 8.4331 8.5232 8.5232 9.1595 9.1595 9.1651 9.1651 9.8196 9.8196 9.8298 9.8298 13.7180 13.7180 13.7580 13.7580 15.5923 15.5923 15.6394 15.6394 16.2864 16.2864 16.2910 16.2910 k = 0.2576 0.5000 0.8047 ( 2600 PWs) bands (ev): -42.6165 -42.6165 -42.6165 -42.6165 -20.5661 -20.5661 -20.5110 -20.5110 -18.7227 -18.7227 -18.6182 -18.6182 -18.1457 -18.1457 -18.1184 -18.1184 -6.4034 -6.4034 -6.3922 -6.3922 -5.2726 -5.2726 -5.1873 -5.1873 5.8176 5.8176 5.8242 5.8242 6.5078 6.5078 6.5264 6.5264 7.3433 7.3433 7.3949 7.3949 8.3926 8.3926 8.4814 8.4814 9.1752 9.1752 9.1809 9.1809 9.8455 9.8455 9.8548 9.8548 13.7611 13.7611 13.8015 13.8015 15.5497 15.5497 15.5974 15.5974 16.2879 16.2879 16.2926 16.2926 k = 0.2727 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5645 -20.5645 -20.5123 -20.5123 -18.7201 -18.7201 -18.6208 -18.6208 -18.1457 -18.1457 -18.1197 -18.1197 -6.3853 -6.3853 -6.3731 -6.3731 -5.2933 -5.2933 -5.2109 -5.2109 5.8428 5.8428 5.8501 5.8501 6.5468 6.5468 6.5659 6.5659 7.2890 7.2890 7.3365 7.3365 8.3503 8.3503 8.4378 8.4378 9.1895 9.1895 9.1952 9.1952 9.8715 9.8715 9.8800 9.8800 13.8058 13.8058 13.8466 13.8466 15.5054 15.5054 15.5536 15.5536 16.2895 16.2895 16.2942 16.2942 k = 0.2879 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5629 -20.5629 -20.5135 -20.5135 -18.7174 -18.7174 -18.6235 -18.6235 -18.1456 -18.1456 -18.1210 -18.1210 -6.3668 -6.3668 -6.3536 -6.3536 -5.3143 -5.3143 -5.2350 -5.2350 5.8692 5.8692 5.8772 5.8772 6.5871 6.5871 6.6062 6.6062 7.2357 7.2357 7.2789 7.2789 8.3066 8.3066 8.3924 8.3924 9.2025 9.2025 9.2080 9.2080 9.8975 9.8975 9.9050 9.9050 13.8518 13.8518 13.8930 13.8930 15.4596 15.4596 15.5082 15.5082 16.2912 16.2912 16.2958 16.2958 k = 0.3030 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5612 -20.5612 -20.5149 -20.5149 -18.7145 -18.7145 -18.6263 -18.6263 -18.1455 -18.1455 -18.1223 -18.1223 -6.3478 -6.3478 -6.3337 -6.3337 -5.3355 -5.3355 -5.2594 -5.2594 5.8966 5.8966 5.9054 5.9054 6.6283 6.6283 6.6467 6.6467 7.1842 7.1842 7.2225 7.2225 8.2615 8.2615 8.3456 8.3456 9.2143 9.2143 9.2195 9.2195 9.9230 9.9230 9.9297 9.9297 13.8991 13.8991 13.9407 13.9407 15.4125 15.4125 15.4613 15.4613 16.2929 16.2929 16.2974 16.2974 k = 0.3182 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5595 -20.5595 -20.5163 -20.5163 -18.7116 -18.7116 -18.6293 -18.6293 -18.1453 -18.1453 -18.1236 -18.1236 -6.3286 -6.3286 -6.3138 -6.3138 -5.3566 -5.3566 -5.2840 -5.2840 5.9250 5.9250 5.9346 5.9346 6.6699 6.6699 6.6867 6.6867 7.1350 7.1350 7.1676 7.1676 8.2156 8.2156 8.2975 8.2975 9.2249 9.2249 9.2298 9.2298 9.9478 9.9478 9.9537 9.9537 13.9474 13.9474 13.9893 13.9893 15.3643 15.3643 15.4131 15.4131 16.2947 16.2947 16.2990 16.2990 k = 0.3333 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5577 -20.5577 -20.5178 -20.5178 -18.7085 -18.7085 -18.6324 -18.6324 -18.1451 -18.1451 -18.1250 -18.1250 -6.3093 -6.3093 -6.2939 -6.2939 -5.3775 -5.3775 -5.3087 -5.3087 5.9543 5.9543 5.9648 5.9648 6.7113 6.7113 6.7246 6.7246 7.0897 7.0897 7.1149 7.1149 8.1689 8.1689 8.2486 8.2486 9.2344 9.2344 9.2390 9.2390 9.9717 9.9717 9.9768 9.9768 13.9966 13.9966 14.0387 14.0387 15.3151 15.3151 15.3639 15.3639 16.2963 16.2963 16.3004 16.3004 k = 0.3485 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5559 -20.5559 -20.5193 -20.5193 -18.7054 -18.7054 -18.6355 -18.6355 -18.1448 -18.1448 -18.1263 -18.1263 -6.2901 -6.2901 -6.2743 -6.2743 -5.3978 -5.3978 -5.3331 -5.3331 5.9843 5.9843 5.9956 5.9956 6.7511 6.7511 6.7579 6.7579 7.0505 7.0505 7.0656 7.0656 8.1221 8.1221 8.1991 8.1991 9.2430 9.2430 9.2471 9.2471 9.9942 9.9942 9.9986 9.9986 14.0465 14.0465 14.0887 14.0887 15.2653 15.2653 15.3138 15.3138 16.2980 16.2980 16.3018 16.3018 k = 0.3636 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5540 -20.5540 -20.5208 -20.5208 -18.7022 -18.7022 -18.6387 -18.6387 -18.1445 -18.1445 -18.1276 -18.1276 -6.2712 -6.2712 -6.2552 -6.2552 -5.4174 -5.4174 -5.3571 -5.3571 6.0150 6.0150 6.0271 6.0271 6.7819 6.7819 6.7867 6.7867 7.0221 7.0221 7.0222 7.0222 8.0754 8.0754 8.1494 8.1494 9.2506 9.2506 9.2543 9.2543 10.0153 10.0153 10.0191 10.0191 14.0969 14.0969 14.1390 14.1390 15.2151 15.2151 15.2632 15.2632 16.2996 16.2996 16.3031 16.3031 k = 0.3788 0.5000 0.8047 ( 2576 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5522 -20.5522 -20.5225 -20.5225 -18.6989 -18.6989 -18.6421 -18.6421 -18.1441 -18.1441 -18.1289 -18.1289 -6.2527 -6.2527 -6.2369 -6.2369 -5.4359 -5.4359 -5.3804 -5.3804 6.0461 6.0461 6.0589 6.0589 6.7901 6.7901 6.8118 6.8118 6.9909 6.9909 7.0106 7.0106 8.0294 8.0294 8.0999 8.0999 9.2573 9.2573 9.2606 9.2606 10.0348 10.0348 10.0379 10.0379 14.1473 14.1473 14.1892 14.1892 15.1650 15.1650 15.2123 15.2123 16.3011 16.3011 16.3043 16.3043 k = 0.3939 0.5000 0.8047 ( 2576 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5503 -20.5503 -20.5241 -20.5241 -18.6955 -18.6955 -18.6455 -18.6455 -18.1436 -18.1436 -18.1302 -18.1302 -6.2351 -6.2351 -6.2198 -6.2198 -5.4530 -5.4530 -5.4028 -5.4028 6.0773 6.0773 6.0907 6.0907 6.7799 6.7799 6.8156 6.8156 6.9822 6.9822 7.0185 7.0185 7.9848 7.9848 8.0512 8.0512 9.2632 9.2632 9.2660 9.2660 10.0523 10.0523 10.0550 10.0550 14.1976 14.1976 14.2389 14.2389 15.1154 15.1154 15.1615 15.1615 16.3024 16.3024 16.3053 16.3053 k = 0.4091 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5484 -20.5484 -20.5258 -20.5258 -18.6921 -18.6921 -18.6489 -18.6489 -18.1431 -18.1431 -18.1315 -18.1315 -6.2185 -6.2185 -6.2041 -6.2041 -5.4683 -5.4683 -5.4238 -5.4238 6.1082 6.1082 6.1220 6.1220 6.7567 6.7567 6.7961 6.7961 6.9980 6.9980 7.0400 7.0400 7.9426 7.9426 8.0040 8.0040 9.2682 9.2682 9.2706 9.2706 10.0679 10.0679 10.0700 10.0700 14.2472 14.2472 14.2874 14.2874 15.0669 15.0669 15.1113 15.1113 16.3037 16.3037 16.3062 16.3062 k = 0.4242 0.5000 0.8047 ( 2576 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5464 -20.5464 -20.5276 -20.5276 -18.6886 -18.6886 -18.6524 -18.6524 -18.1424 -18.1424 -18.1328 -18.1328 -6.2033 -6.2033 -6.1902 -6.1902 -5.4814 -5.4814 -5.4432 -5.4432 6.1384 6.1384 6.1521 6.1521 6.7279 6.7279 6.7647 6.7647 7.0266 7.0266 7.0673 7.0673 7.9037 7.9037 7.9590 7.9590 9.2725 9.2725 9.2745 9.2745 10.0813 10.0813 10.0830 10.0830 14.2954 14.2954 14.3338 14.3338 15.0206 15.0206 15.0625 15.0625 16.3048 16.3048 16.3069 16.3069 k = 0.4394 0.5000 0.8047 ( 2572 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5445 -20.5445 -20.5294 -20.5294 -18.6850 -18.6850 -18.6560 -18.6560 -18.1418 -18.1418 -18.1340 -18.1340 -6.1898 -6.1898 -6.1786 -6.1786 -5.4921 -5.4921 -5.4607 -5.4607 6.1670 6.1670 6.1800 6.1800 6.6988 6.6988 6.7306 6.7306 7.0585 7.0585 7.0949 7.0949 7.8696 7.8696 7.9174 7.9174 9.2760 9.2760 9.2776 9.2776 10.0925 10.0925 10.0938 10.0938 14.3413 14.3413 14.3767 14.3767 14.9778 14.9778 15.0161 15.0161 16.3058 16.3058 16.3075 16.3075 k = 0.4545 0.5000 0.8047 ( 2580 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5426 -20.5426 -20.5312 -20.5312 -18.6814 -18.6814 -18.6596 -18.6596 -18.1410 -18.1410 -18.1352 -18.1352 -6.1784 -6.1784 -6.1695 -6.1695 -5.4998 -5.4998 -5.4757 -5.4757 6.1928 6.1928 6.2043 6.2043 6.6729 6.6729 6.6985 6.6985 7.0891 7.0891 7.1189 7.1189 7.8420 7.8420 7.8804 7.8804 9.2787 9.2787 9.2799 9.2799 10.1012 10.1012 10.1022 10.1022 14.3834 14.3834 14.4140 14.4140 14.9406 14.9406 14.9734 14.9734 16.3066 16.3066 16.3079 16.3079 k = 0.4697 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5407 -20.5407 -20.5331 -20.5331 -18.6778 -18.6778 -18.6632 -18.6632 -18.1402 -18.1402 -18.1363 -18.1363 -6.1695 -6.1695 -6.1632 -6.1632 -5.5043 -5.5043 -5.4880 -5.4880 6.2143 6.2143 6.2232 6.2232 6.6531 6.6531 6.6712 6.6712 7.1152 7.1152 7.1366 7.1366 7.8227 7.8227 7.8499 7.8499 9.2807 9.2807 9.2815 9.2815 10.1076 10.1076 10.1083 10.1083 14.4194 14.4194 14.4427 14.4427 14.9121 14.9121 14.9368 14.9368 16.3073 16.3073 16.3081 16.3081 k = 0.4848 0.5000 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5387 -20.5387 -20.5349 -20.5349 -18.6742 -18.6742 -18.6669 -18.6669 -18.1393 -18.1393 -18.1373 -18.1373 -6.1633 -6.1633 -6.1601 -6.1601 -5.5055 -5.5055 -5.4972 -5.4972 6.2296 6.2296 6.2345 6.2345 6.6419 6.6419 6.6514 6.6514 7.1344 7.1344 7.1457 7.1457 7.8133 7.8133 7.8275 7.8275 9.2820 9.2820 9.2824 9.2824 10.1115 10.1115 10.1118 10.1118 14.4464 14.4464 14.4592 14.4592 14.8958 14.8958 14.9094 14.9094 16.3077 16.3077 16.3082 16.3082 k = 0.5000 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5368 -20.5368 -20.5368 -20.5368 -18.6705 -18.6705 -18.6705 -18.6705 -18.1384 -18.1384 -18.1384 -18.1384 -6.1601 -6.1601 -6.1601 -6.1601 -5.5031 -5.5031 -5.5031 -5.5031 6.2367 6.2367 6.2367 6.2367 6.6412 6.6412 6.6412 6.6412 7.1450 7.1450 7.1450 7.1450 7.8150 7.8150 7.8150 7.8150 9.2826 9.2826 9.2826 9.2826 10.1129 10.1129 10.1129 10.1129 14.4605 14.4605 14.4605 14.4605 14.8949 14.8949 14.8949 14.8949 16.3080 16.3080 16.3080 16.3080 k = 0.5000 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5368 -20.5368 -20.5368 -20.5368 -18.6705 -18.6705 -18.6705 -18.6705 -18.1384 -18.1384 -18.1384 -18.1384 -6.1601 -6.1601 -6.1601 -6.1601 -5.5031 -5.5031 -5.5031 -5.5031 6.2367 6.2367 6.2367 6.2367 6.6412 6.6412 6.6412 6.6412 7.1450 7.1450 7.1450 7.1450 7.8150 7.8150 7.8150 7.8150 9.2826 9.2826 9.2826 9.2826 10.1129 10.1129 10.1129 10.1129 14.4605 14.4605 14.4605 14.4605 14.8949 14.8949 14.8949 14.8949 16.3080 16.3080 16.3080 16.3080 k = 0.4894 0.4894 0.8047 ( 2588 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5387 -20.5387 -20.5350 -20.5350 -18.6741 -18.6741 -18.6669 -18.6669 -18.1393 -18.1393 -18.1374 -18.1374 -6.1639 -6.1639 -6.1594 -6.1594 -5.5059 -5.5059 -5.4969 -5.4969 6.2268 6.2268 6.2376 6.2376 6.6393 6.6393 6.6537 6.6537 7.1321 7.1321 7.1482 7.1482 7.8114 7.8114 7.8292 7.8292 9.2813 9.2813 9.2831 9.2831 10.1113 10.1113 10.1121 10.1121 14.4428 14.4428 14.4633 14.4633 14.8914 14.8914 14.9133 14.9133 16.3077 16.3077 16.3082 16.3082 k = 0.4787 0.4787 0.8047 ( 2588 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5406 -20.5406 -20.5331 -20.5331 -18.6777 -18.6777 -18.6633 -18.6633 -18.1402 -18.1402 -18.1363 -18.1363 -6.1733 -6.1733 -6.1591 -6.1591 -5.5071 -5.5071 -5.4856 -5.4856 6.2013 6.2013 6.2386 6.2386 6.6387 6.6387 6.6833 6.6833 7.1022 7.1022 7.1514 7.1514 7.8106 7.8106 7.8600 7.8600 9.2777 9.2777 9.2845 9.2845 10.1065 10.1065 10.1095 10.1095 14.4020 14.4020 14.4649 14.4649 14.8880 14.8880 14.9561 14.9561 16.3072 16.3072 16.3081 16.3081 k = 0.4681 0.4681 0.8047 ( 2584 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5425 -20.5425 -20.5313 -20.5313 -18.6813 -18.6813 -18.6597 -18.6597 -18.1410 -18.1410 -18.1352 -18.1352 -6.1879 -6.1879 -6.1588 -6.1588 -5.5080 -5.5080 -5.4688 -5.4688 6.1652 6.1652 6.2401 6.2401 6.6379 6.6379 6.7254 6.7254 7.0578 7.0578 7.1568 7.1568 7.8103 7.8103 7.9054 7.9054 9.2718 9.2718 9.2870 9.2870 10.0984 10.0984 10.1051 10.1051 14.3464 14.3464 14.4673 14.4673 14.8827 14.8827 15.0152 15.0152 16.3065 16.3065 16.3080 16.3080 k = 0.4574 0.4574 0.8047 ( 2572 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5444 -20.5444 -20.5295 -20.5295 -18.6848 -18.6848 -18.6562 -18.6562 -18.1417 -18.1417 -18.1340 -18.1340 -6.2071 -6.2071 -6.1583 -6.1583 -5.5088 -5.5088 -5.4471 -5.4471 6.1233 6.1233 6.2423 6.2423 6.6367 6.6367 6.7745 6.7745 7.0037 7.0037 7.1652 7.1652 7.8100 7.8100 7.9608 7.9608 9.2635 9.2635 9.2903 9.2903 10.0871 10.0871 10.0988 10.0988 14.2832 14.2832 14.4706 14.4706 14.8757 14.8757 15.0832 15.0832 16.3055 16.3055 16.3078 16.3078 k = 0.4468 0.4468 0.8047 ( 2572 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5463 -20.5463 -20.5277 -20.5277 -18.6883 -18.6883 -18.6527 -18.6527 -18.1424 -18.1424 -18.1328 -18.1328 -6.2296 -6.2296 -6.1577 -6.1577 -5.5096 -5.5096 -5.4215 -5.4215 6.0788 6.0788 6.2451 6.2451 6.6352 6.6352 6.8260 6.8260 6.9436 6.9436 7.1781 7.1781 7.8097 7.8097 8.0226 8.0226 9.2529 9.2529 9.2946 9.2946 10.0725 10.0725 10.0907 10.0907 14.2169 14.2169 14.4748 14.4748 14.8669 14.8669 15.1558 15.1558 16.3043 16.3043 16.3074 16.3074 k = 0.4362 0.4362 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6161 -42.6161 -20.5481 -20.5481 -20.5260 -20.5260 -18.6916 -18.6916 -18.6493 -18.6493 -18.1431 -18.1431 -18.1316 -18.1316 -6.2547 -6.2547 -6.1571 -6.1571 -5.5106 -5.5106 -5.3929 -5.3929 6.0337 6.0337 6.2486 6.2486 6.6331 6.6331 6.8719 6.8719 6.8846 6.8846 7.1975 7.1975 7.8094 7.8094 8.0881 8.0881 9.2401 9.2401 9.2997 9.2997 10.0546 10.0546 10.0805 10.0805 14.1501 14.1501 14.4799 14.4799 14.8568 14.8568 15.2303 15.2303 16.3028 16.3028 16.3070 16.3070 k = 0.4255 0.4255 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6161 -42.6161 -20.5499 -20.5499 -20.5244 -20.5244 -18.6949 -18.6949 -18.6461 -18.6461 -18.1436 -18.1436 -18.1304 -18.1304 -6.2813 -6.2813 -6.1563 -6.1563 -5.5117 -5.5117 -5.3622 -5.3622 5.9892 5.9892 6.2527 6.2527 6.6301 6.6301 6.8156 6.8156 6.9218 6.9218 7.2257 7.2257 7.8090 7.8090 8.1553 8.1553 9.2251 9.2251 9.3057 9.3057 10.0332 10.0332 10.0683 10.0683 14.0844 14.0844 14.4859 14.4859 14.8455 14.8455 15.3054 15.3054 16.3011 16.3011 16.3064 16.3064 k = 0.4149 0.4149 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5517 -20.5517 -20.5229 -20.5229 -18.6980 -18.6980 -18.6429 -18.6429 -18.1441 -18.1441 -18.1291 -18.1291 -6.3088 -6.3088 -6.1553 -6.1553 -5.5129 -5.5129 -5.3303 -5.3303 5.9461 5.9461 6.2576 6.2576 6.6253 6.6253 6.7532 6.7532 6.9585 6.9585 7.2649 7.2649 7.8087 7.8087 8.2228 8.2228 9.2081 9.2081 9.3123 9.3123 10.0085 10.0085 10.0538 10.0538 14.0208 14.0208 14.4928 14.4928 14.8334 14.8334 15.3798 15.3798 16.2991 16.2991 16.3057 16.3057 k = 0.4043 0.4043 0.8047 ( 2570 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5534 -20.5534 -20.5214 -20.5214 -18.7010 -18.7010 -18.6399 -18.6399 -18.1445 -18.1445 -18.1279 -18.1279 -6.3365 -6.3365 -6.1543 -6.1543 -5.5143 -5.5143 -5.2978 -5.2978 5.9048 5.9048 6.2631 6.2631 6.6148 6.6148 6.6970 6.6970 6.9862 6.9862 7.3154 7.3154 7.8083 7.8083 8.2896 8.2896 9.1891 9.1891 9.3197 9.3197 9.9802 9.9802 10.0369 10.0369 13.9602 13.9602 14.5006 14.5006 14.8209 14.8209 15.4530 15.4530 16.2969 16.2969 16.3049 16.3049 k = 0.3936 0.3936 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6161 -42.6161 -20.5550 -20.5550 -20.5200 -20.5200 -18.7039 -18.7039 -18.6370 -18.6370 -18.1449 -18.1449 -18.1266 -18.1266 -6.3640 -6.3640 -6.1532 -6.1532 -5.5158 -5.5158 -5.2653 -5.2653 5.8658 5.8658 6.2695 6.2695 6.5873 6.5873 6.6593 6.6593 7.0059 7.0059 7.3757 7.3757 7.8080 7.8080 8.3550 8.3550 9.1682 9.1682 9.3276 9.3276 9.9483 9.9483 10.0176 10.0176 13.9033 13.9033 14.5093 14.5093 14.8083 14.8083 15.5242 15.5242 16.2945 16.2945 16.3040 16.3040 k = 0.3830 0.3830 0.8047 ( 2570 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5566 -20.5566 -20.5186 -20.5186 -18.7066 -18.7066 -18.6342 -18.6342 -18.1452 -18.1452 -18.1254 -18.1254 -6.3907 -6.3907 -6.1519 -6.1519 -5.5174 -5.5174 -5.2335 -5.2335 5.8292 5.8292 6.2766 6.2766 6.5393 6.5393 6.6442 6.6442 7.0195 7.0195 7.4434 7.4434 7.8078 7.8078 8.4181 8.4181 9.1457 9.1457 9.3361 9.3361 9.9129 9.9129 9.9957 9.9957 13.8505 13.8505 14.5188 14.5188 14.7960 14.7960 15.5930 15.5930 16.2919 16.2919 16.3030 16.3030 k = 0.3723 0.3723 0.8047 ( 2570 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5580 -20.5580 -20.5174 -20.5174 -18.7092 -18.7092 -18.6316 -18.6316 -18.1455 -18.1455 -18.1242 -18.1242 -6.4163 -6.4163 -6.1506 -6.1506 -5.5192 -5.5192 -5.2026 -5.2026 5.7953 5.7953 6.2845 6.2845 6.4854 6.4854 6.6377 6.6377 7.0288 7.0288 7.5161 7.5161 7.8078 7.8078 8.4786 8.4786 9.1215 9.1215 9.3450 9.3450 9.8739 9.8739 9.9711 9.9711 13.8024 13.8024 14.5292 14.5292 14.7844 14.7844 15.6590 15.6590 16.2891 16.2891 16.3019 16.3019 k = 0.3617 0.3617 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5594 -20.5594 -20.5162 -20.5162 -18.7115 -18.7115 -18.6292 -18.6292 -18.1457 -18.1457 -18.1230 -18.1230 -6.4406 -6.4406 -6.1492 -6.1492 -5.5210 -5.5210 -5.1731 -5.1731 5.7643 5.7643 6.2932 6.2932 6.4320 6.4320 6.6339 6.6339 7.0353 7.0353 7.5920 7.5920 7.8084 7.8084 8.5359 8.5359 9.0959 9.0959 9.3542 9.3542 9.8313 9.8313 9.9438 9.9438 13.7592 13.7592 14.5403 14.5403 14.7737 14.7737 15.7216 15.7216 16.2861 16.2861 16.3007 16.3007 k = 0.3511 0.3511 0.8047 ( 2578 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5607 -20.5607 -20.5152 -20.5152 -18.7137 -18.7137 -18.6270 -18.6270 -18.1459 -18.1459 -18.1219 -18.1219 -6.4634 -6.4634 -6.1477 -6.1477 -5.5230 -5.5230 -5.1454 -5.1454 5.7363 5.7363 6.3025 6.3025 6.3814 6.3814 6.6312 6.6312 7.0399 7.0399 7.6687 7.6687 7.8105 7.8105 8.5896 8.5896 9.0689 9.0689 9.3637 9.3637 9.7851 9.7851 9.9136 9.9136 13.7215 13.7215 14.5522 14.5522 14.7644 14.7644 15.7807 15.7807 16.2830 16.2830 16.2993 16.2993 k = 0.3404 0.3404 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5619 -20.5619 -20.5142 -20.5142 -18.7157 -18.7157 -18.6250 -18.6250 -18.1460 -18.1460 -18.1209 -18.1209 -6.4842 -6.4842 -6.1461 -6.1461 -5.5251 -5.5251 -5.1197 -5.1197 5.7113 5.7113 6.3107 6.3107 6.3362 6.3362 6.6290 6.6290 7.0430 7.0430 7.7406 7.7406 7.8192 7.8192 8.6393 8.6393 9.0407 9.0407 9.3732 9.3732 9.7354 9.7354 9.8806 9.8806 13.6894 13.6894 14.5649 14.5649 14.7568 14.7568 15.8358 15.8358 16.2798 16.2798 16.2979 16.2979 k = 0.3298 0.3298 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5630 -20.5630 -20.5133 -20.5133 -18.7175 -18.7175 -18.6232 -18.6232 -18.1461 -18.1461 -18.1199 -18.1199 -6.5032 -6.5032 -6.1445 -6.1445 -5.5273 -5.5273 -5.0963 -5.0963 5.6895 5.6895 6.2868 6.2868 6.3278 6.3278 6.6273 6.6273 7.0452 7.0452 7.7823 7.7823 7.8589 7.8589 8.6847 8.6847 9.0115 9.0115 9.3827 9.3827 9.6823 9.6823 9.8449 9.8449 13.6632 13.6632 14.5782 14.5782 14.7511 14.7511 15.8868 15.8868 16.2764 16.2764 16.2964 16.2964 k = 0.3191 0.3191 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5639 -20.5639 -20.5126 -20.5126 -18.7190 -18.7190 -18.6216 -18.6216 -18.1462 -18.1462 -18.1190 -18.1190 -6.5199 -6.5199 -6.1427 -6.1427 -5.5295 -5.5295 -5.0754 -5.0754 5.6708 5.6708 6.2481 6.2481 6.3393 6.3393 6.6260 6.6260 7.0467 7.0467 7.7917 7.7917 7.9314 7.9314 8.7255 8.7255 8.9814 8.9814 9.3919 9.3919 9.6259 9.6259 9.8065 9.8065 13.6430 13.6430 14.5922 14.5922 14.7476 14.7476 15.9332 15.9332 16.2730 16.2730 16.2948 16.2948 k = 0.3085 0.3085 0.8047 ( 2586 PWs) bands (ev): -42.6164 -42.6164 -42.6163 -42.6163 -20.5647 -20.5647 -20.5119 -20.5119 -18.7204 -18.7204 -18.6202 -18.6202 -18.1462 -18.1462 -18.1182 -18.1182 -6.5345 -6.5345 -6.1410 -6.1410 -5.5318 -5.5318 -5.0574 -5.0574 5.6554 5.6554 6.2129 6.2129 6.3526 6.3526 6.6251 6.6251 7.0475 7.0475 7.7939 7.7939 8.0110 8.0110 8.7614 8.7614 8.9505 8.9505 9.4006 9.4006 9.5663 9.5663 9.7657 9.7657 13.6289 13.6289 14.6067 14.6067 14.7465 14.7465 15.9749 15.9749 16.2696 16.2696 16.2931 16.2931 k = 0.2979 0.2979 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5654 -20.5654 -20.5113 -20.5113 -18.7215 -18.7215 -18.6190 -18.6190 -18.1462 -18.1462 -18.1175 -18.1175 -6.5466 -6.5466 -6.1391 -6.1391 -5.5342 -5.5342 -5.0422 -5.0422 5.6433 5.6433 6.1819 6.1819 6.3671 6.3671 6.6248 6.6248 7.0480 7.0480 7.7944 7.7944 8.0918 8.0918 8.7923 8.7923 8.9190 8.9190 9.4083 9.4083 9.5040 9.5040 9.7230 9.7230 13.6210 13.6210 14.6218 14.6218 14.7480 14.7480 16.0116 16.0116 16.2662 16.2662 16.2914 16.2914 k = 0.2872 0.2872 0.8047 ( 2582 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5659 -20.5659 -20.5109 -20.5109 -18.7224 -18.7224 -18.6180 -18.6180 -18.1461 -18.1461 -18.1169 -18.1169 -6.5563 -6.5563 -6.1373 -6.1373 -5.5367 -5.5367 -5.0302 -5.0302 5.6345 5.6345 6.1555 6.1555 6.3828 6.3828 6.6251 6.6251 7.0482 7.0482 7.7943 7.7943 8.1721 8.1721 8.8179 8.8179 8.8871 8.8871 9.4137 9.4137 9.4398 9.4398 9.6790 9.6790 13.6192 13.6192 14.6374 14.6374 14.7521 14.7521 16.0432 16.0432 16.2628 16.2628 16.2897 16.2897 k = 0.2766 0.2766 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6162 -42.6162 -20.5663 -20.5663 -20.5105 -20.5105 -18.7230 -18.7230 -18.6173 -18.6173 -18.1460 -18.1460 -18.1164 -18.1164 -6.5635 -6.5635 -6.1354 -6.1354 -5.5391 -5.5391 -5.0213 -5.0213 5.6291 5.6291 6.1336 6.1336 6.3995 6.3995 6.6261 6.6261 7.0481 7.0481 7.7939 7.7939 8.2511 8.2511 8.8381 8.8381 8.8550 8.8550 9.3709 9.3709 9.4188 9.4188 9.6352 9.6352 13.6236 13.6236 14.6534 14.6534 14.7589 14.7589 16.0696 16.0696 16.2594 16.2594 16.2879 16.2879 k = 0.2660 0.2660 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6162 -42.6162 -20.5666 -20.5666 -20.5103 -20.5103 -18.7235 -18.7235 -18.6168 -18.6168 -18.1460 -18.1460 -18.1160 -18.1160 -6.5682 -6.5682 -6.1335 -6.1335 -5.5417 -5.5417 -5.0158 -5.0158 5.6269 5.6269 6.1164 6.1164 6.4173 6.4173 6.6279 6.6279 7.0477 7.0477 7.7933 7.7933 8.3278 8.3278 8.8226 8.8226 8.8529 8.8529 9.3027 9.3027 9.4163 9.4163 9.5943 9.5943 13.6338 13.6338 14.6698 14.6698 14.7684 14.7684 16.0906 16.0906 16.2561 16.2561 16.2860 16.2860 k = 0.2553 0.2553 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5667 -20.5667 -20.5102 -20.5102 -18.7236 -18.7236 -18.6165 -18.6165 -18.1458 -18.1458 -18.1158 -18.1158 -6.5702 -6.5702 -6.1315 -6.1315 -5.5442 -5.5442 -5.0136 -5.0136 5.6281 5.6281 6.1036 6.1036 6.4363 6.4363 6.6308 6.6308 7.0472 7.0472 7.7926 7.7926 8.4011 8.4011 8.7903 8.7903 8.8621 8.8621 9.2337 9.2337 9.4039 9.4039 9.5610 9.5610 13.6500 13.6500 14.6866 14.6866 14.7806 14.7806 16.1064 16.1064 16.2528 16.2528 16.2841 16.2841 k = 0.2447 0.2447 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5667 -20.5667 -20.5101 -20.5101 -18.7236 -18.7236 -18.6165 -18.6165 -18.1457 -18.1457 -18.1157 -18.1157 -6.5696 -6.5696 -6.1296 -6.1296 -5.5467 -5.5467 -5.0148 -5.0148 5.6326 5.6326 6.0951 6.0951 6.4563 6.4563 6.6349 6.6349 7.0465 7.0465 7.7919 7.7919 8.4693 8.4693 8.7581 8.7581 8.8658 8.8658 9.1659 9.1659 9.3769 9.3769 9.5403 9.5403 13.6717 13.6717 14.7037 14.7037 14.7954 14.7954 16.1169 16.1169 16.2495 16.2495 16.2818 16.2818 k = 0.2340 0.2340 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5665 -20.5665 -20.5102 -20.5102 -18.7233 -18.7233 -18.6166 -18.6166 -18.1456 -18.1456 -18.1157 -18.1157 -6.5664 -6.5664 -6.1276 -6.1276 -5.5492 -5.5492 -5.0193 -5.0193 5.6403 5.6403 6.0909 6.0909 6.4774 6.4774 6.6404 6.6404 7.0457 7.0457 7.7912 7.7912 8.5294 8.5294 8.7261 8.7261 8.8642 8.8642 9.1022 9.1022 9.3357 9.3357 9.5318 9.5318 13.6989 13.6989 14.7210 14.7210 14.8126 14.8126 16.1225 16.1225 16.2462 16.2462 16.2792 16.2792 k = 0.2234 0.2234 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5662 -20.5662 -20.5104 -20.5104 -18.7228 -18.7228 -18.6171 -18.6171 -18.1454 -18.1454 -18.1158 -18.1158 -6.5605 -6.5605 -6.1257 -6.1257 -5.5518 -5.5518 -5.0273 -5.0273 5.6513 5.6513 6.0905 6.0905 6.4995 6.4995 6.6476 6.6476 7.0448 7.0448 7.7905 7.7905 8.5762 8.5762 8.6946 8.6946 8.8568 8.8568 9.0481 9.0481 9.2852 9.2852 9.5308 9.5308 13.7313 13.7313 14.7384 14.7384 14.8322 14.8322 16.1233 16.1233 16.2429 16.2429 16.2761 16.2761 k = 0.2128 0.2128 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5657 -20.5657 -20.5107 -20.5107 -18.7220 -18.7220 -18.6177 -18.6177 -18.1452 -18.1452 -18.1160 -18.1160 -6.5521 -6.5521 -6.1238 -6.1238 -5.5542 -5.5542 -5.0386 -5.0386 5.6655 5.6655 6.0936 6.0936 6.5227 6.5227 6.6569 6.6569 7.0438 7.0438 7.7898 7.7898 8.6014 8.6014 8.6636 8.6636 8.8426 8.8426 9.0131 9.0131 9.2293 9.2293 9.5338 9.5338 13.7686 13.7686 14.7559 14.7559 14.8539 14.8539 16.1194 16.1194 16.2395 16.2395 16.2724 16.2724 k = 0.2021 0.2021 0.8047 ( 2564 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5651 -20.5651 -20.5111 -20.5111 -18.7210 -18.7210 -18.6186 -18.6186 -18.1450 -18.1450 -18.1164 -18.1164 -6.5411 -6.5411 -6.1219 -6.1219 -5.5567 -5.5567 -5.0531 -5.0531 5.6828 5.6828 6.0998 6.0998 6.5468 6.5468 6.6686 6.6686 7.0427 7.0427 7.7891 7.7891 8.5967 8.5967 8.6334 8.6334 8.8204 8.8204 9.0068 9.0068 9.1703 9.1703 9.5387 9.5387 13.8105 13.8105 14.7733 14.7733 14.8776 14.8776 16.1109 16.1109 16.2361 16.2361 16.2681 16.2681 k = 0.1915 0.1915 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5644 -20.5644 -20.5116 -20.5116 -18.7198 -18.7198 -18.6197 -18.6197 -18.1447 -18.1447 -18.1168 -18.1168 -6.5276 -6.5276 -6.1200 -6.1200 -5.5591 -5.5591 -5.0707 -5.0707 5.7031 5.7031 6.1087 6.1087 6.5718 6.5718 6.6830 6.6830 7.0415 7.0415 7.7884 7.7884 8.5620 8.5620 8.6039 8.6039 8.7920 8.7920 9.0279 9.0279 9.1094 9.1094 9.5446 9.5446 13.8568 13.8568 14.7906 14.7906 14.9031 14.9031 16.0976 16.0976 16.2327 16.2327 16.2634 16.2634 k = 0.1809 0.1809 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5636 -20.5636 -20.5123 -20.5123 -18.7184 -18.7184 -18.6210 -18.6210 -18.1445 -18.1445 -18.1174 -18.1174 -6.5117 -6.5117 -6.1182 -6.1182 -5.5614 -5.5614 -5.0913 -5.0913 5.7264 5.7264 6.1197 6.1197 6.5977 6.5977 6.7006 6.7006 7.0401 7.0401 7.7878 7.7878 8.5059 8.5059 8.5753 8.5753 8.7591 8.7591 9.0469 9.0469 9.0670 9.0670 9.5508 9.5508 13.9071 13.9071 14.8076 14.8076 14.9301 14.9301 16.0796 16.0796 16.2294 16.2294 16.2584 16.2584 k = 0.1702 0.1702 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5626 -20.5626 -20.5130 -20.5130 -18.7167 -18.7167 -18.6226 -18.6226 -18.1442 -18.1442 -18.1181 -18.1181 -6.4934 -6.4934 -6.1165 -6.1165 -5.5637 -5.5637 -5.1147 -5.1147 5.7526 5.7526 6.1321 6.1321 6.6244 6.6244 6.7218 6.7218 7.0387 7.0387 7.7871 7.7871 8.4374 8.4374 8.5478 8.5478 8.7219 8.7219 8.9849 8.9849 9.1136 9.1136 9.5571 9.5571 13.9612 13.9612 14.8242 14.8242 14.9584 14.9584 16.0567 16.0567 16.2263 16.2263 16.2534 16.2534 k = 0.1596 0.1596 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5615 -20.5615 -20.5138 -20.5138 -18.7149 -18.7149 -18.6243 -18.6243 -18.1439 -18.1439 -18.1188 -18.1188 -6.4728 -6.4728 -6.1148 -6.1148 -5.5659 -5.5659 -5.1408 -5.1408 5.7814 5.7814 6.1454 6.1454 6.6517 6.6517 6.7470 6.7470 7.0371 7.0371 7.7865 7.7865 8.3622 8.3622 8.5213 8.5213 8.6803 8.6803 8.9227 8.9227 9.1640 9.1640 9.5634 9.5634 14.0188 14.0188 14.8403 14.8403 14.9876 14.9876 16.0290 16.0290 16.2234 16.2234 16.2484 16.2484 k = 0.1489 0.1489 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5603 -20.5603 -20.5147 -20.5147 -18.7128 -18.7128 -18.6262 -18.6262 -18.1435 -18.1435 -18.1197 -18.1197 -6.4501 -6.4501 -6.1132 -6.1132 -5.5680 -5.5680 -5.1693 -5.1693 5.8127 5.8127 6.1591 6.1591 6.6796 6.6796 6.7764 6.7764 7.0353 7.0353 7.7860 7.7860 8.2835 8.2835 8.4961 8.4961 8.6343 8.6343 8.8609 8.8609 9.2150 9.2150 9.5694 9.5694 14.0795 14.0795 14.8558 14.8558 15.0175 15.0175 15.9966 15.9966 16.2207 16.2207 16.2435 16.2435 k = 0.1383 0.1383 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5590 -20.5590 -20.5158 -20.5158 -18.7105 -18.7105 -18.6284 -18.6284 -18.1432 -18.1432 -18.1206 -18.1206 -6.4254 -6.4254 -6.1116 -6.1116 -5.5700 -5.5700 -5.1999 -5.1999 5.8463 5.8463 6.1725 6.1725 6.7080 6.7080 6.8105 6.8105 7.0334 7.0334 7.7854 7.7854 8.2035 8.2035 8.4722 8.4722 8.5841 8.5841 8.8001 8.8001 9.2650 9.2650 9.5752 9.5752 14.1430 14.1430 14.8706 14.8706 15.0476 15.0476 15.9596 15.9596 16.2183 16.2183 16.2388 16.2388 k = 0.1277 0.1277 0.8047 ( 2566 PWs) bands (ev): -42.6161 -42.6161 -42.6161 -42.6161 -20.5575 -20.5575 -20.5169 -20.5169 -18.7081 -18.7081 -18.6307 -18.6307 -18.1428 -18.1428 -18.1216 -18.1216 -6.3989 -6.3989 -6.1102 -6.1102 -5.5719 -5.5719 -5.2324 -5.2324 5.8820 5.8820 6.1854 6.1854 6.7365 6.7365 6.8492 6.8492 7.0313 7.0313 7.7848 7.7848 8.1234 8.1234 8.4496 8.4496 8.5298 8.5298 8.7406 8.7406 9.3131 9.3131 9.5807 9.5807 14.2090 14.2090 14.8848 14.8848 15.0775 15.0775 15.9183 15.9183 16.2162 16.2162 16.2344 16.2344 k = 0.1170 0.1170 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5560 -20.5560 -20.5181 -20.5181 -18.7055 -18.7055 -18.6332 -18.6332 -18.1423 -18.1423 -18.1226 -18.1226 -6.3709 -6.3709 -6.1088 -6.1088 -5.5736 -5.5736 -5.2665 -5.2665 5.9195 5.9195 6.1973 6.1973 6.7650 6.7650 6.8927 6.8927 7.0289 7.0289 7.7841 7.7841 8.0444 8.0444 8.4286 8.4286 8.4719 8.4719 8.6829 8.6829 9.3586 9.3586 9.5858 9.5858 14.2772 14.2772 14.8981 14.8981 15.1070 15.1070 15.8729 15.8729 16.2142 16.2142 16.2302 16.2302 k = 0.1064 0.1064 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5545 -20.5545 -20.5194 -20.5194 -18.7027 -18.7027 -18.6359 -18.6359 -18.1418 -18.1418 -18.1237 -18.1237 -6.3415 -6.3415 -6.1075 -6.1075 -5.5753 -5.5753 -5.3018 -5.3018 5.9583 5.9583 6.2080 6.2080 6.7933 6.7933 6.9407 6.9407 7.0262 7.0262 7.7832 7.7832 7.9675 7.9675 8.4082 8.4082 8.4114 8.4114 8.6274 8.6274 9.4010 9.4010 9.5905 9.5905 14.3473 14.3473 14.9104 14.9104 15.1356 15.1356 15.8238 15.8238 16.2125 16.2125 16.2263 16.2263 k = 0.0957 0.0957 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5528 -20.5528 -20.5208 -20.5208 -18.6998 -18.6998 -18.6388 -18.6388 -18.1413 -18.1413 -18.1248 -18.1248 -6.3111 -6.3111 -6.1063 -6.1063 -5.5768 -5.5768 -5.3380 -5.3380 5.9980 5.9980 6.2175 6.2175 6.8208 6.8208 6.9926 6.9926 7.0237 7.0237 7.7815 7.7815 7.8942 7.8942 8.3459 8.3459 8.3913 8.3913 8.5746 8.5746 9.4401 9.4401 9.5948 9.5948 14.4187 14.4187 14.9219 14.9219 15.1630 15.1630 15.7712 15.7712 16.2110 16.2110 16.2227 16.2227 k = 0.0851 0.0851 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5511 -20.5511 -20.5222 -20.5222 -18.6967 -18.6967 -18.6417 -18.6417 -18.1407 -18.1407 -18.1259 -18.1259 -6.2800 -6.2800 -6.1053 -6.1053 -5.5781 -5.5781 -5.3744 -5.3744 6.0381 6.0381 6.2258 6.2258 6.8474 6.8474 7.0179 7.0179 7.0512 7.0512 7.7760 7.7760 7.8284 7.8284 8.2790 8.2790 8.3752 8.3752 8.5251 8.5251 9.4756 9.4756 9.5987 9.5987 14.4913 14.4913 14.9323 14.9323 15.1887 15.1887 15.7156 15.7156 16.2096 16.2096 16.2193 16.2193 k = 0.0745 0.0745 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5493 -20.5493 -20.5238 -20.5238 -18.6936 -18.6936 -18.6449 -18.6449 -18.1401 -18.1401 -18.1270 -18.1270 -6.2488 -6.2488 -6.1043 -6.1043 -5.5793 -5.5793 -5.4105 -5.4105 6.0779 6.0779 6.2328 6.2328 6.8725 6.8725 7.0143 7.0143 7.1106 7.1106 7.7437 7.7437 7.7941 7.7941 8.2099 8.2099 8.3608 8.3608 8.4794 8.4794 9.5074 9.5074 9.6022 9.6022 14.5644 14.5644 14.9417 14.9417 15.2125 15.2125 15.6574 15.6574 16.2085 16.2085 16.2164 16.2164 k = 0.0638 0.0638 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5475 -20.5475 -20.5254 -20.5254 -18.6903 -18.6903 -18.6481 -18.6481 -18.1395 -18.1395 -18.1281 -18.1281 -6.2181 -6.2181 -6.1035 -6.1035 -5.5804 -5.5804 -5.4458 -5.4458 6.1164 6.1164 6.2386 6.2386 6.8958 6.8958 7.0096 7.0096 7.1734 7.1734 7.6884 7.6884 7.7886 7.7886 8.1394 8.1394 8.3482 8.3482 8.4380 8.4380 9.5352 9.5352 9.6052 9.6052 14.6375 14.6375 14.9499 14.9499 15.2339 15.2339 15.5973 15.5973 16.2075 16.2075 16.2137 16.2137 k = 0.0532 0.0532 0.8047 ( 2578 PWs) bands (ev): -42.6163 -42.6163 -42.6163 -42.6163 -20.5456 -20.5456 -20.5271 -20.5271 -18.6869 -18.6869 -18.6514 -18.6514 -18.1388 -18.1388 -18.1292 -18.1292 -6.1887 -6.1887 -6.1028 -6.1028 -5.5812 -5.5812 -5.4791 -5.4791 6.1527 6.1527 6.2434 6.2434 6.9167 6.9167 7.0043 7.0043 7.2383 7.2383 7.6358 7.6358 7.7871 7.7871 8.0682 8.0682 8.3375 8.3375 8.4015 8.4015 9.5589 9.5589 9.6077 9.6077 14.7099 14.7099 14.9569 14.9569 15.2525 15.2525 15.5358 15.5358 16.2068 16.2068 16.2114 16.2114 k = 0.0426 0.0426 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5437 -20.5437 -20.5288 -20.5288 -18.6834 -18.6834 -18.6548 -18.6548 -18.1380 -18.1380 -18.1303 -18.1303 -6.1616 -6.1616 -6.1022 -6.1022 -5.5819 -5.5819 -5.5096 -5.5096 6.1854 6.1854 6.2471 6.2471 6.9348 6.9348 6.9986 6.9986 7.3040 7.3040 7.5904 7.5904 7.7864 7.7864 7.9974 7.9974 8.3286 8.3286 8.3706 8.3706 9.5784 9.5784 9.6098 9.6098 14.7803 14.7803 14.9627 14.9627 15.2683 15.2683 15.4744 15.4744 16.2062 16.2062 16.2095 16.2095 k = 0.0319 0.0319 0.8047 ( 2574 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5418 -20.5418 -20.5305 -20.5305 -18.6799 -18.6799 -18.6583 -18.6583 -18.1372 -18.1372 -18.1314 -18.1314 -6.1381 -6.1381 -6.1018 -6.1018 -5.5823 -5.5823 -5.5360 -5.5360 6.2132 6.2132 6.2500 6.2500 6.9498 6.9498 6.9927 6.9927 7.3685 7.3685 7.5536 7.5536 7.7862 7.7862 7.9290 7.9290 8.3217 8.3217 8.3458 8.3458 9.5937 9.5937 9.6115 9.6115 14.8467 14.8467 14.9672 14.9672 15.2808 15.2808 15.4149 15.4149 16.2057 16.2057 16.2080 16.2080 k = 0.0213 0.0213 0.8047 ( 2570 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5399 -20.5399 -20.5324 -20.5324 -18.6763 -18.6763 -18.6619 -18.6619 -18.1363 -18.1363 -18.1325 -18.1325 -6.1196 -6.1196 -6.1015 -6.1015 -5.5823 -5.5823 -5.5568 -5.5568 6.2345 6.2345 6.2519 6.2519 6.9615 6.9615 6.9870 6.9870 7.4281 7.4281 7.5265 7.5265 7.7862 7.7862 7.8666 7.8666 8.3168 8.3168 8.3277 8.3277 9.6046 9.6046 9.6127 9.6127 14.9056 14.9056 14.9704 14.9704 15.2900 15.2900 15.3610 15.3610 16.2055 16.2055 16.2068 16.2068 k = 0.0106 0.0106 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5380 -20.5380 -20.5342 -20.5342 -18.6727 -18.6727 -18.6655 -18.6655 -18.1354 -18.1354 -18.1335 -18.1335 -6.1075 -6.1075 -6.1014 -6.1014 -5.5814 -5.5814 -5.5709 -5.5709 6.2480 6.2480 6.2531 6.2531 6.9701 6.9701 6.9818 6.9818 7.4751 7.4751 7.5094 7.5094 7.7871 7.7871 7.8176 7.8176 8.3138 8.3138 8.3167 8.3167 9.6112 9.6112 9.6134 9.6134 14.9497 14.9497 14.9720 14.9720 15.2958 15.2958 15.3199 15.3199 16.2054 16.2054 16.2060 16.2060 k = 0.0000 0.0000 0.8047 ( 2572 PWs) bands (ev): -42.6162 -42.6162 -42.6162 -42.6162 -20.5361 -20.5361 -20.5361 -20.5361 -18.6691 -18.6691 -18.6691 -18.6691 -18.1345 -18.1345 -18.1345 -18.1345 -6.1024 -6.1024 -6.1024 -6.1024 -5.5784 -5.5784 -5.5784 -5.5784 6.2530 6.2530 6.2530 6.2530 6.9765 6.9765 6.9765 6.9765 7.4989 7.4989 7.4989 7.4989 7.7927 7.7927 7.7927 7.7927 8.3129 8.3129 8.3129 8.3129 9.6135 9.6135 9.6135 9.6135 14.9697 14.9697 14.9697 14.9697 15.3008 15.3008 15.3008 15.3008 16.2056 16.2056 16.2056 16.2056 k = 0.0000 0.5000-0.0000 ( 2556 PWs) bands (ev): -42.6997 -42.6997 -42.6997 -42.6997 -20.2929 -20.2929 -20.2929 -20.2929 -18.3527 -18.3527 -18.3527 -18.3527 -18.0767 -18.0767 -18.0767 -18.0767 -6.3017 -6.3017 -6.3017 -6.3017 -5.6390 -5.6390 -5.6390 -5.6390 6.0459 6.0459 6.0459 6.0459 7.0387 7.0387 7.0387 7.0387 7.2720 7.2720 7.2720 7.2720 7.3993 7.3993 7.3993 7.3993 9.2300 9.2300 9.2300 9.2300 9.9455 9.9455 9.9455 9.9455 13.8911 13.8911 13.8911 13.8911 15.3999 15.3999 15.3999 15.3999 15.8588 15.8588 15.8588 15.8588 k = 0.0000 0.5000 0.0152 ( 2552 PWs) bands (ev): -42.6996 -42.6996 -42.6996 -42.6996 -20.2941 -20.2941 -20.2919 -20.2919 -18.3530 -18.3530 -18.3521 -18.3521 -18.0786 -18.0786 -18.0761 -18.0761 -6.3018 -6.3018 -6.2994 -6.2994 -5.6403 -5.6403 -5.6392 -5.6392 6.0460 6.0460 6.0493 6.0493 7.0255 7.0255 7.0267 7.0267 7.2750 7.2750 7.2762 7.2762 7.4094 7.4094 7.4098 7.4098 9.2238 9.2238 9.2252 9.2252 9.9467 9.9467 9.9482 9.9482 13.8928 13.8928 13.8940 13.8940 15.3944 15.3944 15.4007 15.4007 15.8554 15.8554 15.8642 15.8642 k = 0.0000 0.5000 0.0304 ( 2558 PWs) bands (ev): -42.6994 -42.6994 -42.6994 -42.6994 -20.2955 -20.2955 -20.2912 -20.2912 -18.3532 -18.3532 -18.3513 -18.3513 -18.0817 -18.0817 -18.0768 -18.0768 -6.2999 -6.2999 -6.2950 -6.2950 -5.6429 -5.6429 -5.6408 -5.6408 6.0496 6.0496 6.0563 6.0563 6.9925 6.9925 6.9942 6.9942 7.2819 7.2819 7.2834 7.2834 7.4385 7.4385 7.4397 7.4397 9.2068 9.2068 9.2095 9.2095 9.9518 9.9518 9.9545 9.9545 13.8990 13.8990 13.9013 13.9013 15.3842 15.3842 15.3964 15.3964 15.8540 15.8540 15.8712 15.8712 k = 0.0000 0.5000 0.0455 ( 2566 PWs) bands (ev): -42.6992 -42.6992 -42.6992 -42.6992 -20.2972 -20.2972 -20.2907 -20.2907 -18.3531 -18.3531 -18.3502 -18.3502 -18.0860 -18.0860 -18.0787 -18.0787 -6.2959 -6.2959 -6.2885 -6.2885 -5.6470 -5.6470 -5.6438 -5.6438 6.0567 6.0567 6.0668 6.0668 6.9481 6.9481 6.9499 6.9499 7.2887 7.2887 7.2899 7.2899 7.4821 7.4821 7.4841 7.4841 9.1799 9.1799 9.1837 9.1837 9.9599 9.9599 9.9638 9.9638 13.9096 13.9096 13.9130 13.9130 15.3697 15.3697 15.3872 15.3872 15.8545 15.8545 15.8796 15.8796 k = 0.0000 0.5000 0.0607 ( 2566 PWs) bands (ev): -42.6986 -42.6986 -42.6986 -42.6986 -20.2992 -20.2992 -20.2905 -20.2905 -18.3529 -18.3529 -18.3488 -18.3488 -18.0914 -18.0914 -18.0818 -18.0818 -6.2897 -6.2897 -6.2800 -6.2800 -5.6524 -5.6524 -5.6481 -5.6481 6.0673 6.0673 6.0807 6.0807 6.8983 6.8983 6.8998 6.8998 7.2943 7.2943 7.2951 7.2951 7.5350 7.5350 7.5377 7.5377 9.1443 9.1443 9.1491 9.1491 9.9702 9.9702 9.9750 9.9750 13.9245 13.9245 13.9291 13.9291 15.3515 15.3515 15.3735 15.3735 15.8569 15.8569 15.8890 15.8890 k = 0.0000 0.5000 0.0759 ( 2570 PWs) bands (ev): -42.6981 -42.6981 -42.6981 -42.6981 -20.3014 -20.3014 -20.2905 -20.2905 -18.3525 -18.3525 -18.3472 -18.3472 -18.0979 -18.0979 -18.0862 -18.0862 -6.2816 -6.2816 -6.2696 -6.2696 -5.6592 -5.6592 -5.6537 -5.6537 6.0813 6.0813 6.0980 6.0980 6.8460 6.8460 6.8473 6.8473 7.2992 7.2992 7.2996 7.2996 7.5932 7.5932 7.5967 7.5967 9.1013 9.1013 9.1067 9.1067 9.9817 9.9817 9.9872 9.9872 13.9435 13.9435 13.9493 13.9493 15.3297 15.3297 15.3555 15.3555 15.8607 15.8607 15.8989 15.8989 k = 0.0000 0.5000 0.0911 ( 2562 PWs) bands (ev): -42.6972 -42.6972 -42.6972 -42.6972 -20.3038 -20.3038 -20.2908 -20.2908 -18.3521 -18.3521 -18.3454 -18.3454 -18.1054 -18.1054 -18.0918 -18.0918 -6.2714 -6.2714 -6.2573 -6.2573 -5.6674 -5.6674 -5.6606 -5.6606 6.0987 6.0987 6.1186 6.1186 6.7931 6.7931 6.7939 6.7939 7.3038 7.3038 7.3038 7.3038 7.6546 7.6546 7.6587 7.6587 9.0521 9.0521 9.0580 9.0580 9.9935 9.9935 9.9996 9.9996 13.9665 13.9665 13.9734 13.9734 15.3050 15.3050 15.3336 15.3336 15.8656 15.8656 15.9092 15.9092 k = 0.0000 0.5000 0.1063 ( 2562 PWs) bands (ev): -42.6962 -42.6962 -42.6962 -42.6962 -20.3066 -20.3066 -20.2914 -20.2914 -18.3516 -18.3516 -18.3432 -18.3432 -18.1138 -18.1138 -18.0985 -18.0985 -6.2594 -6.2594 -6.2432 -6.2432 -5.6768 -5.6768 -5.6686 -5.6686 6.1194 6.1194 6.1426 6.1426 6.7405 6.7405 6.7409 6.7409 7.3078 7.3078 7.3083 7.3083 7.7176 7.7176 7.7224 7.7224 8.9980 8.9980 9.0042 9.0042 10.0048 10.0048 10.0112 10.0112 13.9931 13.9931 14.0011 14.0011 15.2777 15.2777 15.3084 15.3084 15.8713 15.8713 15.9195 15.9195 k = 0.0000 0.5000 0.1215 ( 2564 PWs) bands (ev): -42.6952 -42.6952 -42.6952 -42.6952 -20.3095 -20.3095 -20.2922 -20.2922 -18.3511 -18.3511 -18.3408 -18.3408 -18.1230 -18.1230 -18.1063 -18.1063 -6.2455 -6.2455 -6.2275 -6.2275 -5.6874 -5.6874 -5.6777 -5.6777 6.1433 6.1433 6.1696 6.1696 6.6886 6.6886 6.6888 6.6888 7.3117 7.3117 7.3126 7.3126 7.7814 7.7814 7.7868 7.7868 8.9401 8.9401 8.9464 8.9464 10.0150 10.0150 10.0217 10.0217 14.0230 14.0230 14.0321 14.0321 15.2481 15.2481 15.2804 15.2804 15.8775 15.8775 15.9297 15.9297 k = 0.0000 0.5000 0.1366 ( 2564 PWs) bands (ev): -42.6940 -42.6940 -42.6940 -42.6940 -20.3128 -20.3128 -20.2932 -20.2932 -18.3508 -18.3508 -18.3382 -18.3382 -18.1329 -18.1329 -18.1151 -18.1151 -6.2299 -6.2299 -6.2102 -6.2102 -5.6991 -5.6991 -5.6877 -5.6877 6.1703 6.1703 6.1997 6.1997 6.6377 6.6377 6.6385 6.6385 7.3155 7.3155 7.3168 7.3168 7.8450 7.8450 7.8513 7.8513 8.8795 8.8795 8.8858 8.8858 10.0238 10.0238 10.0305 10.0305 14.0560 14.0560 14.0663 14.0663 15.2165 15.2165 15.2498 15.2498 15.8839 15.8839 15.9394 15.9394 k = 0.0000 0.5000 0.1518 ( 2560 PWs) bands (ev): -42.6927 -42.6927 -42.6927 -42.6927 -20.3163 -20.3163 -20.2946 -20.2946 -18.3507 -18.3507 -18.3353 -18.3353 -18.1432 -18.1432 -18.1250 -18.1250 -6.2127 -6.2127 -6.1917 -6.1917 -5.7118 -5.7118 -5.6985 -5.6985 6.2003 6.2003 6.2325 6.2325 6.5883 6.5883 6.5900 6.5900 7.3188 7.3188 7.3205 7.3205 7.9080 7.9080 7.9152 7.9152 8.8174 8.8174 8.8233 8.8233 10.0307 10.0307 10.0374 10.0374 14.0916 14.0916 14.1031 14.1031 15.1834 15.1834 15.2171 15.2171 15.8903 15.8903 15.9487 15.9487 k = 0.0000 0.5000 0.1670 ( 2560 PWs) bands (ev): -42.6912 -42.6912 -42.6912 -42.6912 -20.3201 -20.3201 -20.2962 -20.2962 -18.3510 -18.3510 -18.3323 -18.3323 -18.1538 -18.1538 -18.1357 -18.1357 -6.1941 -6.1941 -6.1721 -6.1721 -5.7254 -5.7254 -5.7098 -5.7098 6.2331 6.2331 6.2677 6.2677 6.5408 6.5408 6.5437 6.5437 7.3214 7.3214 7.3235 7.3235 7.9697 7.9697 7.9781 7.9781 8.7549 8.7549 8.7602 8.7602 10.0356 10.0356 10.0423 10.0423 14.1295 14.1295 14.1422 14.1422 15.1490 15.1490 15.1827 15.1827 15.8966 15.8966 15.9574 15.9574 k = 0.0000 0.5000 0.1822 ( 2568 PWs) bands (ev): -42.6898 -42.6898 -42.6898 -42.6898 -20.3243 -20.3243 -20.2981 -20.2981 -18.3519 -18.3519 -18.3290 -18.3290 -18.1645 -18.1645 -18.1472 -18.1472 -6.1743 -6.1743 -6.1518 -6.1518 -5.7396 -5.7396 -5.7213 -5.7213 6.2685 6.2685 6.3046 6.3046 6.4953 6.4953 6.5003 6.5003 7.3231 7.3231 7.3256 7.3256 8.0291 8.0291 8.0392 8.0392 8.6934 8.6934 8.6977 8.6977 10.0384 10.0384 10.0449 10.0449 14.1691 14.1691 14.1831 14.1831 15.1137 15.1137 15.1471 15.1471 15.9025 15.9025 15.9655 15.9655 k = 0.0000 0.5000 0.1974 ( 2554 PWs) bands (ev): -42.6879 -42.6879 -42.6879 -42.6879 -20.3286 -20.3286 -20.3003 -20.3003 -18.3536 -18.3536 -18.3255 -18.3255 -18.1749 -18.1749 -18.1595 -18.1595 -6.1536 -6.1536 -6.1313 -6.1313 -5.7543 -5.7543 -5.7328 -5.7328 6.3059 6.3059 6.3409 6.3409 6.4523 6.4523 6.4620 6.4620 7.3234 7.3234 7.3263 7.3263 8.0853 8.0853 8.0978 8.0978 8.6348 8.6348 8.6372 8.6372 10.0390 10.0390 10.0452 10.0452 14.2101 14.2101 14.2255 14.2255 15.0780 15.0780 15.1107 15.1107 15.9082 15.9082 15.9730 15.9730 k = 0.0000 0.5000 0.2126 ( 2558 PWs) bands (ev): -42.6862 -42.6862 -42.6862 -42.6862 -20.3333 -20.3333 -20.3028 -20.3028 -18.3563 -18.3563 -18.3220 -18.3220 -18.1847 -18.1847 -18.1723 -18.1723 -6.1323 -6.1323 -6.1109 -6.1109 -5.7691 -5.7691 -5.7435 -5.7435 6.3437 6.3437 6.3656 6.3656 6.4135 6.4135 6.4396 6.4396 7.3219 7.3219 7.3252 7.3252 8.1363 8.1363 8.1523 8.1523 8.5810 8.5810 8.5815 8.5815 10.0374 10.0374 10.0433 10.0433 14.2515 14.2515 14.2686 14.2686 15.0424 15.0424 15.0739 15.0739 15.9134 15.9134 15.9799 15.9799 k = 0.0000 0.5000 0.2277 ( 2564 PWs) bands (ev): -42.6844 -42.6844 -42.6844 -42.6844 -20.3383 -20.3383 -20.3057 -20.3057 -18.3602 -18.3602 -18.3184 -18.3184 -18.1936 -18.1936 -18.1857 -18.1857 -6.1110 -6.1110 -6.0916 -6.0916 -5.7835 -5.7835 -5.7529 -5.7529 6.3540 6.3540 6.3587 6.3587 6.4015 6.4015 6.4575 6.4575 7.3182 7.3182 7.3218 7.3218 8.1791 8.1791 8.2003 8.2003 8.5323 8.5323 8.5374 8.5374 10.0337 10.0337 10.0393 10.0393 14.2926 14.2926 14.3116 14.3116 15.0076 15.0076 15.0375 15.0375 15.9182 15.9182 15.9861 15.9861 k = 0.0000 0.5000 0.2429 ( 2560 PWs) bands (ev): -42.6824 -42.6824 -42.6824 -42.6824 -20.3436 -20.3436 -20.3088 -20.3088 -18.3658 -18.3658 -18.3148 -18.3148 -18.2012 -18.2012 -18.1993 -18.1993 -6.0905 -6.0905 -6.0743 -6.0743 -5.7967 -5.7967 -5.7600 -5.7600 6.3241 6.3241 6.3285 6.3285 6.4387 6.4387 6.4975 6.4975 7.3119 7.3119 7.3155 7.3155 8.2085 8.2085 8.2369 8.2369 8.4969 8.4969 8.5085 8.5085 10.0279 10.0279 10.0331 10.0331 14.3324 14.3324 14.3537 14.3537 14.9746 14.9746 15.0025 15.0025 15.9226 15.9226 15.9917 15.9917 k = 0.0000 0.5000 0.2581 ( 2562 PWs) bands (ev): -42.6804 -42.6804 -42.6804 -42.6804 -20.3492 -20.3492 -20.3122 -20.3122 -18.3730 -18.3730 -18.3115 -18.3115 -18.2129 -18.2129 -18.2074 -18.2074 -6.0719 -6.0719 -6.0602 -6.0602 -5.8078 -5.8078 -5.7636 -5.7636 6.2921 6.2921 6.2949 6.2949 6.4827 6.4827 6.5427 6.5427 7.3026 7.3026 7.3061 7.3061 8.2194 8.2194 8.2544 8.2544 8.4831 8.4831 8.5008 8.5008 10.0201 10.0201 10.0248 10.0248 14.3692 14.3692 14.3934 14.3934 14.9450 14.9450 14.9702 14.9702 15.9266 15.9266 15.9967 15.9967 k = 0.0000 0.5000 0.2733 ( 2558 PWs) bands (ev): -42.6782 -42.6782 -42.6782 -42.6782 -20.3551 -20.3551 -20.3160 -20.3160 -18.3820 -18.3820 -18.3087 -18.3087 -18.2263 -18.2263 -18.2120 -18.2120 -6.0565 -6.0565 -6.0505 -6.0505 -5.8152 -5.8152 -5.7626 -5.7626 6.2611 6.2611 6.2628 6.2628 6.5282 6.5282 6.5894 6.5894 7.2903 7.2903 7.2931 7.2931 8.2122 8.2122 8.2502 8.2502 8.4946 8.4946 8.5146 8.5146 10.0104 10.0104 10.0147 10.0147 14.4009 14.4009 14.4286 14.4286 14.9208 14.9208 14.9425 14.9425 15.9302 15.9302 16.0013 16.0013 k = 0.0000 0.5000 0.2885 ( 2566 PWs) bands (ev): -42.6761 -42.6761 -42.6761 -42.6761 -20.3613 -20.3613 -20.3200 -20.3200 -18.3927 -18.3927 -18.3071 -18.3071 -18.2386 -18.2386 -18.2149 -18.2149 -6.0463 -6.0463 -6.0462 -6.0462 -5.8172 -5.8172 -5.7559 -5.7559 6.2319 6.2319 6.2328 6.2328 6.5735 6.5735 6.6355 6.6355 7.2754 7.2754 7.2768 7.2768 8.1944 8.1944 8.2323 8.2323 8.5237 8.5237 8.5431 8.5431 9.9990 9.9990 10.0028 10.0028 14.4247 14.4247 14.4565 14.4565 14.9045 14.9045 14.9222 14.9222 15.9334 15.9334 16.0054 16.0054 k = 0.0000 0.5000 0.3037 ( 2564 PWs) bands (ev): -42.6739 -42.6739 -42.6739 -42.6739 -20.3678 -20.3678 -20.3244 -20.3244 -18.4049 -18.4049 -18.3075 -18.3075 -18.2489 -18.2489 -18.2164 -18.2164 -6.0476 -6.0476 -6.0427 -6.0427 -5.8124 -5.8124 -5.7434 -5.7434 6.2047 6.2047 6.2050 6.2050 6.6174 6.6174 6.6793 6.6793 7.2578 7.2578 7.2590 7.2590 8.1737 8.1737 8.2107 8.2107 8.5609 8.5609 8.5791 8.5791 9.9859 9.9859 9.9892 9.9892 14.4380 14.4380 14.4740 14.4740 14.8991 14.8991 14.9126 14.9126 15.9363 15.9363 16.0090 16.0090 k = 0.0000 0.5000 0.3188 ( 2564 PWs) bands (ev): -42.6715 -42.6715 -42.6715 -42.6715 -20.3746 -20.3746 -20.3291 -20.3291 -18.4184 -18.4184 -18.3114 -18.3114 -18.2558 -18.2558 -18.2164 -18.2164 -6.0545 -6.0545 -6.0461 -6.0461 -5.8004 -5.8004 -5.7253 -5.7253 6.1794 6.1794 6.1797 6.1797 6.6579 6.6579 6.7180 6.7180 7.2377 7.2377 7.2433 7.2433 8.1547 8.1547 8.1910 8.1910 8.6009 8.6009 8.6181 8.6181 9.9713 9.9713 9.9741 9.9741 14.4385 14.4385 14.4782 14.4782 14.9064 14.9064 14.9163 14.9163 15.9389 15.9389 16.0123 16.0123 k = 0.0000 0.5000 0.3340 ( 2566 PWs) bands (ev): -42.6692 -42.6692 -42.6692 -42.6692 -20.3816 -20.3816 -20.3341 -20.3341 -18.4329 -18.4329 -18.3194 -18.3194 -18.2585 -18.2585 -18.2154 -18.2154 -6.0659 -6.0659 -6.0558 -6.0558 -5.7819 -5.7819 -5.7026 -5.7026 6.1562 6.1562 6.1569 6.1569 6.6923 6.6923 6.7480 6.7480 7.2192 7.2192 7.2321 7.2321 8.1397 8.1397 8.1756 8.1756 8.6410 8.6410 8.6577 8.6577 9.9553 9.9553 9.9575 9.9575 14.4264 14.4264 14.4685 14.4685 14.9264 14.9264 14.9338 14.9338 15.9413 15.9413 16.0154 16.0154 k = 0.0000 0.5000 0.3492 ( 2566 PWs) bands (ev): -42.6668 -42.6668 -42.6668 -42.6668 -20.3890 -20.3890 -20.3394 -20.3394 -18.4482 -18.4482 -18.3306 -18.3306 -18.2578 -18.2578 -18.2134 -18.2134 -6.0808 -6.0808 -6.0702 -6.0702 -5.7585 -5.7585 -5.6762 -5.6762 6.1351 6.1351 6.1363 6.1363 6.7170 6.7170 6.7651 6.7651 7.2063 7.2063 7.2298 7.2298 8.1296 8.1296 8.1651 8.1651 8.6801 8.6801 8.6966 8.6966 9.9380 9.9380 9.9398 9.9398 14.4034 14.4034 14.4468 14.4468 14.9573 14.9573 14.9636 14.9636 15.9435 15.9435 16.0181 16.0181 k = 0.0000 0.5000 0.3644 ( 2564 PWs) bands (ev): -42.6643 -42.6643 -42.6643 -42.6643 -20.3965 -20.3965 -20.3450 -20.3450 -18.4640 -18.4640 -18.3437 -18.3437 -18.2551 -18.2551 -18.2106 -18.2106 -6.0985 -6.0985 -6.0881 -6.0881 -5.7316 -5.7316 -5.6472 -5.6472 6.1163 6.1163 6.1178 6.1178 6.7278 6.7278 6.7658 6.7658 7.2036 7.2036 7.2404 7.2404 8.1242 8.1242 8.1597 8.1597 8.7176 8.7176 8.7342 8.7342 9.9197 9.9197 9.9209 9.9209 14.3722 14.3722 14.4159 14.4159 14.9965 14.9965 15.0026 15.0026 15.9455 15.9455 16.0208 16.0208 k = 0.0000 0.5000 0.3796 ( 2560 PWs) bands (ev): -42.6618 -42.6618 -42.6618 -42.6618 -20.4043 -20.4043 -20.3509 -20.3509 -18.4801 -18.4801 -18.3578 -18.3578 -18.2512 -18.2512 -18.2072 -18.2072 -6.1182 -6.1182 -6.1084 -6.1084 -5.7022 -5.7022 -5.6161 -5.6161 6.0996 6.0996 6.1015 6.1015 6.7222 6.7222 6.7492 6.7492 7.2144 7.2144 7.2652 7.2652 8.1234 8.1234 8.1590 8.1590 8.7531 8.7531 8.7699 8.7699 9.9003 9.9003 9.9011 9.9011 14.3349 14.3349 14.3784 14.3784 15.0416 15.0416 15.0482 15.0482 15.9474 15.9474 16.0233 16.0233 k = 0.0000 0.5000 0.3948 ( 2564 PWs) bands (ev): -42.6594 -42.6594 -42.6594 -42.6594 -20.4123 -20.4123 -20.3571 -20.3571 -18.4963 -18.4963 -18.3723 -18.3723 -18.2466 -18.2466 -18.2034 -18.2034 -6.1393 -6.1393 -6.1303 -6.1303 -5.6712 -5.6712 -5.5835 -5.5835 6.0849 6.0849 6.0872 6.0872 6.7004 6.7004 6.7179 6.7179 7.2390 7.2390 7.3025 7.3025 8.1265 8.1265 8.1622 8.1622 8.7865 8.7865 8.8037 8.8037 9.8802 9.8802 9.8805 9.8805 14.2934 14.2934 14.3364 14.3364 15.0909 15.0909 15.0983 15.0983 15.9492 15.9492 16.0257 16.0257 k = 0.0000 0.5000 0.4099 ( 2572 PWs) bands (ev): -42.6570 -42.6570 -42.6570 -42.6570 -20.4205 -20.4205 -20.3634 -20.3634 -18.5126 -18.5126 -18.3870 -18.3870 -18.2416 -18.2416 -18.1991 -18.1991 -6.1615 -6.1615 -6.1533 -6.1533 -5.6390 -5.6390 -5.5501 -5.5501 6.0722 6.0722 6.0748 6.0748 6.6652 6.6652 6.6756 6.6756 7.2752 7.2752 7.3491 7.3491 8.1329 8.1329 8.1689 8.1689 8.8176 8.8176 8.8354 8.8354 9.8592 9.8592 9.8594 9.8594 14.2489 14.2489 14.2914 14.2914 15.1431 15.1431 15.1515 15.1515 15.9510 15.9510 16.0281 16.0281 k = 0.0000 0.5000 0.4251 ( 2572 PWs) bands (ev): -42.6546 -42.6546 -42.6545 -42.6545 -20.4289 -20.4289 -20.3700 -20.3700 -18.5287 -18.5287 -18.4015 -18.4015 -18.2363 -18.2363 -18.1945 -18.1945 -6.1844 -6.1844 -6.1769 -6.1769 -5.6062 -5.6062 -5.5160 -5.5160 6.0613 6.0613 6.0643 6.0643 6.6206 6.6206 6.6258 6.6258 7.3198 7.3198 7.4019 7.4019 8.1420 8.1420 8.1783 8.1783 8.8466 8.8466 8.8650 8.8650 9.8375 9.8375 9.8381 9.8381 14.2024 14.2024 14.2443 14.2443 15.1973 15.1973 15.2069 15.2069 15.9528 15.9528 16.0305 16.0305 k = 0.0000 0.5000 0.4403 ( 2568 PWs) bands (ev): -42.6520 -42.6520 -42.6520 -42.6520 -20.4374 -20.4374 -20.3768 -20.3768 -18.5446 -18.5446 -18.4158 -18.4158 -18.2309 -18.2309 -18.1897 -18.1897 -6.2078 -6.2078 -6.2010 -6.2010 -5.5731 -5.5731 -5.4816 -5.4816 6.0521 6.0521 6.0556 6.0556 6.5696 6.5696 6.5712 6.5712 7.3700 7.3700 7.4589 7.4589 8.1533 8.1533 8.1899 8.1899 8.8735 8.8735 8.8924 8.8924 9.8155 9.8155 9.8165 9.8165 14.1545 14.1545 14.1958 14.1958 15.2527 15.2527 15.2637 15.2637 15.9546 15.9546 16.0330 16.0330 k = 0.0000 0.5000 0.4555 ( 2568 PWs) bands (ev): -42.6496 -42.6496 -42.6496 -42.6496 -20.4460 -20.4460 -20.3838 -20.3838 -18.5602 -18.5602 -18.4299 -18.4299 -18.2253 -18.2253 -18.1848 -18.1848 -6.2313 -6.2313 -6.2253 -6.2253 -5.5399 -5.5399 -5.4471 -5.4471 6.0445 6.0445 6.0483 6.0483 6.5138 6.5138 6.5149 6.5149 7.4237 7.4237 7.5185 7.5185 8.1661 8.1661 8.2030 8.2030 8.8983 8.8983 8.9177 8.9177 9.7933 9.7933 9.7946 9.7946 14.1057 14.1057 14.1465 14.1465 15.3089 15.3089 15.3214 15.3214 15.9565 15.9565 16.0357 16.0357 k = 0.0000 0.5000 0.4707 ( 2568 PWs) bands (ev): -42.6472 -42.6472 -42.6472 -42.6472 -20.4546 -20.4546 -20.3909 -20.3909 -18.5754 -18.5754 -18.4435 -18.4435 -18.2197 -18.2197 -18.1797 -18.1797 -6.2550 -6.2550 -6.2495 -6.2495 -5.5067 -5.5067 -5.4128 -5.4128 6.0380 6.0380 6.0424 6.0424 6.4551 6.4551 6.4583 6.4583 7.4794 7.4794 7.5794 7.5794 8.1802 8.1802 8.2172 8.2172 8.9212 8.9212 8.9410 8.9410 9.7713 9.7713 9.7728 9.7728 14.0564 14.0564 14.0967 14.0967 15.3653 15.3653 15.3796 15.3796 15.9585 15.9585 16.0386 16.0386 k = 0.0000 0.5000 0.4859 ( 2568 PWs) bands (ev): -42.6448 -42.6448 -42.6448 -42.6448 -20.4633 -20.4633 -20.3981 -20.3981 -18.5900 -18.5900 -18.4567 -18.4567 -18.2142 -18.2142 -18.1745 -18.1745 -6.2784 -6.2784 -6.2736 -6.2736 -5.4739 -5.4739 -5.3789 -5.3789 6.0325 6.0325 6.0375 6.0375 6.3963 6.3963 6.4014 6.4014 7.5361 7.5361 7.6409 7.6409 8.1952 8.1952 8.2320 8.2320 8.9423 8.9423 8.9622 8.9622 9.7495 9.7495 9.7511 9.7511 14.0070 14.0070 14.0468 14.0468 15.4215 15.4215 15.4378 15.4378 15.9608 15.9608 16.0418 16.0418 k = 0.0000 0.5000 0.5010 ( 2570 PWs) bands (ev): -42.6425 -42.6425 -42.6425 -42.6425 -20.4719 -20.4719 -20.4053 -20.4053 -18.6042 -18.6042 -18.4694 -18.4694 -18.2087 -18.2087 -18.1694 -18.1694 -6.3017 -6.3017 -6.2974 -6.2974 -5.4416 -5.4416 -5.3454 -5.3454 6.0273 6.0273 6.0330 6.0330 6.3387 6.3387 6.3454 6.3454 7.5928 7.5928 7.7023 7.7023 8.2107 8.2107 8.2470 8.2470 8.9617 8.9617 8.9815 8.9815 9.7282 9.7282 9.7298 9.7298 13.9578 13.9578 13.9971 13.9971 15.4773 15.4773 15.4957 15.4957 15.9633 15.9633 16.0453 16.0453 k = 0.0000 0.5000 0.5162 ( 2570 PWs) bands (ev): -42.6402 -42.6402 -42.6402 -42.6402 -20.4806 -20.4806 -20.4126 -20.4126 -18.6178 -18.6178 -18.4816 -18.4816 -18.2032 -18.2032 -18.1642 -18.1642 -6.3245 -6.3245 -6.3207 -6.3207 -5.4099 -5.4099 -5.3126 -5.3126 6.0217 6.0217 6.0283 6.0283 6.2835 6.2835 6.2917 6.2917 7.6489 7.6489 7.7630 7.7630 8.2267 8.2267 8.2620 8.2620 8.9794 8.9794 8.9988 8.9988 9.7076 9.7076 9.7091 9.7091 13.9089 13.9089 13.9479 13.9479 15.5321 15.5321 15.5529 15.5529 15.9662 15.9662 16.0493 16.0493 k = 0.0000 0.5000 0.5314 ( 2574 PWs) bands (ev): -42.6380 -42.6380 -42.6380 -42.6380 -20.4891 -20.4891 -20.4199 -20.4199 -18.6308 -18.6308 -18.4933 -18.4933 -18.1979 -18.1979 -18.1592 -18.1592 -6.3469 -6.3469 -6.3435 -6.3435 -5.3790 -5.3790 -5.2807 -5.2807 6.0144 6.0144 6.0219 6.0219 6.2324 6.2324 6.2422 6.2422 7.7036 7.7036 7.8226 7.8226 8.2430 8.2430 8.2767 8.2767 8.9955 8.9955 9.0140 9.0140 9.6881 9.6881 9.6892 9.6892 13.8607 13.8607 13.8993 13.8993 15.5855 15.5855 15.6090 15.6090 15.9696 15.9696 16.0540 16.0540 k = 0.0000 0.5000 0.5466 ( 2574 PWs) bands (ev): -42.6359 -42.6359 -42.6359 -42.6359 -20.4975 -20.4975 -20.4271 -20.4271 -18.6431 -18.6431 -18.5043 -18.5043 -18.1927 -18.1927 -18.1542 -18.1542 -6.3686 -6.3686 -6.3656 -6.3656 -5.3490 -5.3490 -5.2497 -5.2497 6.0032 6.0032 6.0116 6.0116 6.1879 6.1879 6.1992 6.1992 7.7565 7.7565 7.8805 7.8805 8.2597 8.2597 8.2911 8.2911 9.0099 9.0099 9.0272 9.0272 9.6699 9.6699 9.6704 9.6704 13.8134 13.8134 13.8516 13.8516 15.6372 15.6372 15.6634 15.6634 15.9737 15.9737 16.0594 16.0594 k = 0.0000 0.5000 0.5618 ( 2574 PWs) bands (ev): -42.6338 -42.6338 -42.6338 -42.6338 -20.5057 -20.5057 -20.4342 -20.4342 -18.6548 -18.6548 -18.5148 -18.5148 -18.1876 -18.1876 -18.1493 -18.1493 -6.3896 -6.3896 -6.3870 -6.3870 -5.3201 -5.3201 -5.2197 -5.2197 5.9857 5.9857 5.9943 5.9943 6.1535 6.1535 6.1654 6.1654 7.8068 7.8068 7.9362 7.9362 8.2769 8.2769 8.3053 8.3053 9.0225 9.0225 9.0380 9.0380 9.6529 9.6529 9.6532 9.6532 13.7672 13.7672 13.8051 13.8051 15.6866 15.6866 15.7155 15.7155 15.9791 15.9791 16.0659 16.0659 k = 0.0000 0.5000 0.5770 ( 2578 PWs) bands (ev): -42.6319 -42.6319 -42.6319 -42.6319 -20.5136 -20.5136 -20.4411 -20.4411 -18.6658 -18.6658 -18.5246 -18.5246 -18.1828 -18.1828 -18.1446 -18.1446 -6.4098 -6.4098 -6.4075 -6.4075 -5.2922 -5.2922 -5.1910 -5.1910 5.9602 5.9602 5.9677 5.9677 6.1314 6.1314 6.1426 6.1426 7.8539 7.8539 7.9891 7.9891 8.2950 8.2950 8.3195 8.3195 9.0331 9.0331 9.0464 9.0464 9.6371 9.6371 9.6384 9.6384 13.7223 13.7223 13.7599 13.7599 15.7332 15.7332 15.7644 15.7644 15.9861 15.9861 16.0736 16.0736 k = 0.0000 0.5000 0.5921 ( 2594 PWs) bands (ev): -42.6302 -42.6302 -42.6302 -42.6302 -20.5214 -20.5214 -20.4479 -20.4479 -18.6761 -18.6761 -18.5338 -18.5338 -18.1781 -18.1781 -18.1401 -18.1401 -6.4291 -6.4291 -6.4272 -6.4272 -5.2657 -5.2657 -5.1636 -5.1636 5.9278 5.9278 5.9336 5.9336 6.1201 6.1201 6.1299 6.1299 7.8972 7.8972 8.0385 8.0385 8.3144 8.3144 8.3343 8.3343 9.0415 9.0415 9.0520 9.0520 9.6233 9.6233 9.6256 9.6256 13.6790 13.6790 13.7163 13.7163 15.7762 15.7762 15.8088 15.8088 15.9960 15.9960 16.0829 16.0829 k = 0.0000 0.5000 0.6073 ( 2594 PWs) bands (ev): -42.6284 -42.6284 -42.6284 -42.6284 -20.5287 -20.5287 -20.4544 -20.4544 -18.6856 -18.6856 -18.5424 -18.5424 -18.1737 -18.1737 -18.1358 -18.1358 -6.4474 -6.4474 -6.4458 -6.4458 -5.2405 -5.2405 -5.1375 -5.1375 5.8915 5.8915 5.8954 5.8954 6.1161 6.1161 6.1244 6.1244 7.9361 7.9361 8.0834 8.0834 8.3354 8.3354 8.3503 8.3503 9.0475 9.0475 9.0548 9.0548 9.6116 9.6116 9.6153 9.6153 13.6375 13.6375 13.6746 13.6746 15.8153 15.8153 15.8470 15.8470 16.0099 16.0099 16.0943 16.0943 k = 0.0000 0.5000 0.6225 ( 2586 PWs) bands (ev): -42.6266 -42.6266 -42.6266 -42.6266 -20.5358 -20.5358 -20.4607 -20.4607 -18.6945 -18.6945 -18.5503 -18.5503 -18.1695 -18.1695 -18.1316 -18.1316 -6.4647 -6.4647 -6.4633 -6.4633 -5.2167 -5.2167 -5.1130 -5.1130 5.8538 5.8538 5.8563 5.8563 6.1163 6.1163 6.1235 6.1235 7.9702 7.9702 8.1227 8.1227 8.3585 8.3585 8.3687 8.3687 9.0507 9.0507 9.0545 9.0545 9.6023 9.6023 9.6073 9.6073 13.5979 13.5979 13.6348 13.6348 15.8497 15.8497 15.8775 15.8775 16.0294 16.0294 16.1079 16.1079 k = 0.0000 0.5000 0.6377 ( 2582 PWs) bands (ev): -42.6250 -42.6250 -42.6250 -42.6250 -20.5424 -20.5424 -20.4666 -20.4666 -18.7026 -18.7026 -18.5576 -18.5576 -18.1656 -18.1656 -18.1278 -18.1278 -6.4808 -6.4808 -6.4797 -6.4797 -5.1945 -5.1945 -5.0901 -5.0901 5.8166 5.8166 5.8180 5.8180 6.1191 6.1191 6.1254 6.1254 7.9990 7.9990 8.1554 8.1554 8.3839 8.3839 8.3904 8.3904 9.0509 9.0509 9.0510 9.0510 9.5954 9.5954 9.6019 9.6019 13.5606 13.5606 13.5973 13.5973 15.8790 15.8790 15.8996 15.8996 16.0545 16.0545 16.1239 16.1239 k = 0.0000 0.5000 0.6529 ( 2574 PWs) bands (ev): -42.6234 -42.6234 -42.6234 -42.6234 -20.5486 -20.5486 -20.4721 -20.4721 -18.7100 -18.7100 -18.5643 -18.5643 -18.1619 -18.1619 -18.1242 -18.1242 -6.4958 -6.4958 -6.4948 -6.4948 -5.1739 -5.1739 -5.0689 -5.0689 5.7811 5.7811 5.7816 5.7816 6.1232 6.1232 6.1290 6.1290 8.0227 8.0227 8.1812 8.1812 8.4117 8.4117 8.4159 8.4159 9.0443 9.0443 9.0481 9.0481 9.5910 9.5910 9.5988 9.5988 13.5257 13.5257 13.5622 13.5622 15.9032 15.9032 15.9147 15.9147 16.0837 16.0837 16.1421 16.1421 k = 0.0000 0.5000 0.6681 ( 2578 PWs) bands (ev): -42.6221 -42.6221 -42.6221 -42.6221 -20.5543 -20.5543 -20.4773 -20.4773 -18.7167 -18.7167 -18.5703 -18.5703 -18.1585 -18.1585 -18.1209 -18.1209 -6.5095 -6.5095 -6.5087 -6.5087 -5.1551 -5.1551 -5.0494 -5.0494 5.7477 5.7477 5.7479 5.7479 6.1282 6.1282 6.1336 6.1336 8.0415 8.0415 8.2001 8.2001 8.4414 8.4414 8.4450 8.4450 9.0346 9.0346 9.0422 9.0422 9.5889 9.5889 9.5977 9.5977 13.4934 13.4934 13.5297 13.5297 15.9226 15.9226 15.9249 15.9249 16.1145 16.1145 16.1618 16.1618 k = 0.0000 0.5000 0.6832 ( 2578 PWs) bands (ev): -42.6209 -42.6209 -42.6209 -42.6209 -20.5596 -20.5596 -20.4820 -20.4820 -18.7227 -18.7227 -18.5757 -18.5757 -18.1555 -18.1555 -18.1178 -18.1178 -6.5219 -6.5219 -6.5213 -6.5213 -5.1380 -5.1380 -5.0318 -5.0318 5.7167 5.7167 5.7174 5.7174 6.1334 6.1334 6.1386 6.1386 8.0560 8.0560 8.2134 8.2134 8.4727 8.4727 8.4767 8.4767 9.0222 9.0222 9.0334 9.0334 9.5887 9.5887 9.5984 9.5984 13.4639 13.4639 13.5001 13.5001 15.9319 15.9319 15.9378 15.9378 16.1449 16.1449 16.1823 16.1823 k = 0.0000 0.5000 0.6984 ( 2586 PWs) bands (ev): -42.6200 -42.6200 -42.6200 -42.6200 -20.5643 -20.5643 -20.4862 -20.4862 -18.7280 -18.7280 -18.5804 -18.5804 -18.1528 -18.1528 -18.1152 -18.1152 -6.5330 -6.5330 -6.5325 -6.5325 -5.1228 -5.1228 -5.0162 -5.0162 5.6890 5.6890 5.6901 5.6901 6.1387 6.1387 6.1437 6.1437 8.0669 8.0669 8.2222 8.2222 8.5047 8.5047 8.5097 8.5097 9.0074 9.0074 9.0221 9.0221 9.5901 9.5901 9.6005 9.6005 13.4373 13.4373 13.4734 13.4734 15.9369 15.9369 15.9496 15.9496 16.1736 16.1736 16.2026 16.2026 k = 0.0000 0.5000 0.7136 ( 2586 PWs) bands (ev): -42.6190 -42.6190 -42.6190 -42.6190 -20.5684 -20.5684 -20.4900 -20.4900 -18.7325 -18.7325 -18.5845 -18.5845 -18.1504 -18.1504 -18.1128 -18.1128 -6.5427 -6.5427 -6.5423 -6.5423 -5.1095 -5.1095 -5.0024 -5.0024 5.6646 5.6646 5.6660 5.6660 6.1437 6.1437 6.1486 6.1486 8.0749 8.0749 8.2279 8.2279 8.5368 8.5368 8.5428 8.5428 8.9907 8.9907 9.0087 9.0087 9.5925 9.5925 9.6034 9.6034 13.4140 13.4140 13.4499 13.4499 15.9406 15.9406 15.9586 15.9586 16.1997 16.1997 16.2218 16.2218 k = 0.0000 0.5000 0.7288 ( 2582 PWs) bands (ev): -42.6182 -42.6182 -42.6182 -42.6182 -20.5719 -20.5719 -20.4932 -20.4932 -18.7364 -18.7364 -18.5879 -18.5879 -18.1484 -18.1484 -18.1108 -18.1108 -6.5509 -6.5509 -6.5507 -6.5507 -5.0981 -5.0981 -4.9907 -4.9907 5.6437 5.6437 5.6454 5.6454 6.1482 6.1482 6.1531 6.1531 8.0805 8.0805 8.2313 8.2313 8.5681 8.5681 8.5747 8.5747 8.9728 8.9728 8.9939 8.9939 9.5956 9.5956 9.6067 9.6067 13.3939 13.3939 13.4298 13.4298 15.9434 15.9434 15.9655 15.9655 16.2225 16.2225 16.2392 16.2392 k = 0.0000 0.5000 0.7440 ( 2582 PWs) bands (ev): -42.6175 -42.6175 -42.6175 -42.6175 -20.5749 -20.5749 -20.4959 -20.4959 -18.7395 -18.7395 -18.5908 -18.5908 -18.1467 -18.1467 -18.1091 -18.1091 -6.5577 -6.5577 -6.5575 -6.5575 -5.0888 -5.0888 -4.9811 -4.9811 5.6265 5.6265 5.6284 5.6284 6.1522 6.1522 6.1571 6.1571 8.0844 8.0844 8.2333 8.2333 8.5975 8.5975 8.6043 8.6043 8.9544 8.9544 8.9786 8.9786 9.5988 9.5988 9.6100 9.6100 13.3773 13.3773 13.4131 13.4131 15.9454 15.9454 15.9706 15.9706 16.2416 16.2416 16.2541 16.2541 k = 0.0000 0.5000 0.7592 ( 2582 PWs) bands (ev): -42.6170 -42.6170 -42.6170 -42.6170 -20.5772 -20.5772 -20.4980 -20.4980 -18.7420 -18.7420 -18.5930 -18.5930 -18.1454 -18.1454 -18.1078 -18.1078 -6.5630 -6.5630 -6.5629 -6.5629 -5.0815 -5.0815 -4.9736 -4.9736 5.6131 5.6131 5.6151 5.6151 6.1554 6.1554 6.1603 6.1603 8.0869 8.0869 8.2343 8.2343 8.6237 8.6237 8.6301 8.6301 8.9369 8.9369 8.9638 8.9638 9.6017 9.6017 9.6130 9.6130 13.3643 13.3643 13.4000 13.4000 15.9469 15.9469 15.9743 15.9743 16.2567 16.2567 16.2660 16.2660 k = 0.0000 0.5000 0.7743 ( 2592 PWs) bands (ev): -42.6167 -42.6167 -42.6167 -42.6167 -20.5788 -20.5788 -20.4995 -20.4995 -18.7437 -18.7437 -18.5945 -18.5945 -18.1445 -18.1445 -18.1069 -18.1069 -6.5668 -6.5668 -6.5668 -6.5668 -5.0762 -5.0762 -4.9682 -4.9682 5.6034 5.6034 5.6055 5.6055 6.1578 6.1578 6.1626 6.1626 8.0885 8.0885 8.2348 8.2348 8.6450 8.6450 8.6507 8.6507 8.9219 8.9219 8.9512 8.9512 9.6041 9.6041 9.6153 9.6153 13.3549 13.3549 13.3906 13.3906 15.9479 15.9479 15.9768 15.9768 16.2677 16.2677 16.2748 16.2748 k = 0.0000 0.5000 0.7895 ( 2588 PWs) bands (ev): -42.6165 -42.6165 -42.6165 -42.6165 -20.5798 -20.5798 -20.5004 -20.5004 -18.7448 -18.7448 -18.5955 -18.5955 -18.1439 -18.1439 -18.1063 -18.1063 -6.5691 -6.5691 -6.5691 -6.5691 -5.0731 -5.0731 -4.9649 -4.9649 5.5976 5.5976 5.5998 5.5998 6.1592 6.1592 6.1641 6.1641 8.0894 8.0894 8.2350 8.2350 8.6592 8.6592 8.6641 8.6641 8.9114 8.9114 8.9426 8.9426 9.6056 9.6056 9.6168 9.6168 13.3493 13.3493 13.3849 13.3849 15.9484 15.9484 15.9783 15.9783 16.2743 16.2743 16.2801 16.2801 k = 0.0000 0.5000 0.8047 ( 2588 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5801 -20.5801 -20.5007 -20.5007 -18.7451 -18.7451 -18.5958 -18.5958 -18.1437 -18.1437 -18.1061 -18.1061 -6.5699 -6.5699 -6.5698 -6.5698 -5.0720 -5.0720 -4.9638 -4.9638 5.5957 5.5957 5.5979 5.5979 6.1597 6.1597 6.1646 6.1646 8.0897 8.0897 8.2351 8.2351 8.6643 8.6643 8.6688 8.6688 8.9076 8.9076 8.9394 8.9394 9.6061 9.6061 9.6173 9.6173 13.3474 13.3474 13.3830 13.3830 15.9486 15.9486 15.9787 15.9787 16.2765 16.2765 16.2819 16.2819 k = 0.5000 0.5000-0.0000 ( 2580 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3036 -20.3036 -20.3036 -20.3036 -18.3794 -18.3794 -18.3794 -18.3794 -18.0337 -18.0337 -18.0337 -18.0337 -6.6799 -6.6799 -6.6799 -6.6799 -5.1713 -5.1713 -5.1713 -5.1713 4.9792 4.9792 4.9792 4.9792 6.8588 6.8588 6.8588 6.8588 8.1766 8.1766 8.1766 8.1766 8.3156 8.3156 8.3156 8.3156 9.4942 9.4942 9.4942 9.4942 9.6570 9.6570 9.6570 9.6570 13.0442 13.0442 13.0442 13.0442 14.7210 14.7210 14.7210 14.7210 16.1466 16.1466 16.1466 16.1466 k = 0.5000 0.5000 0.0152 ( 2580 PWs) bands (ev): -42.6999 -42.6999 -42.6999 -42.6999 -20.3037 -20.3037 -20.3037 -20.3037 -18.3793 -18.3793 -18.3793 -18.3793 -18.0343 -18.0343 -18.0343 -18.0343 -6.6788 -6.6788 -6.6788 -6.6788 -5.1722 -5.1722 -5.1722 -5.1722 4.9809 4.9809 4.9809 4.9809 6.8559 6.8559 6.8559 6.8559 8.1803 8.1803 8.1803 8.1803 8.3163 8.3163 8.3163 8.3163 9.4931 9.4931 9.4931 9.4931 9.6534 9.6534 9.6534 9.6534 13.0471 13.0471 13.0471 13.0471 14.7207 14.7207 14.7207 14.7207 16.1452 16.1452 16.1452 16.1452 k = 0.5000 0.5000 0.0304 ( 2588 PWs) bands (ev): -42.6998 -42.6998 -42.6998 -42.6998 -20.3040 -20.3040 -20.3040 -20.3040 -18.3792 -18.3792 -18.3792 -18.3792 -18.0361 -18.0361 -18.0361 -18.0361 -6.6756 -6.6756 -6.6756 -6.6756 -5.1748 -5.1748 -5.1748 -5.1748 4.9859 4.9859 4.9859 4.9859 6.8476 6.8476 6.8476 6.8476 8.1913 8.1913 8.1913 8.1913 8.3184 8.3184 8.3184 8.3184 9.4899 9.4899 9.4899 9.4899 9.6428 9.6428 9.6428 9.6428 13.0559 13.0559 13.0559 13.0559 14.7195 14.7195 14.7195 14.7195 16.1413 16.1413 16.1413 16.1413 k = 0.5000 0.5000 0.0455 ( 2580 PWs) bands (ev): -42.6993 -42.6993 -42.6993 -42.6993 -20.3045 -20.3045 -20.3045 -20.3045 -18.3790 -18.3790 -18.3790 -18.3790 -18.0389 -18.0389 -18.0389 -18.0389 -6.6702 -6.6702 -6.6702 -6.6702 -5.1792 -5.1792 -5.1792 -5.1792 4.9942 4.9942 4.9942 4.9942 6.8340 6.8340 6.8340 6.8340 8.2093 8.2093 8.2093 8.2093 8.3218 8.3218 8.3218 8.3218 9.4844 9.4844 9.4844 9.4844 9.6254 9.6254 9.6254 9.6254 13.0706 13.0706 13.0706 13.0706 14.7177 14.7177 14.7177 14.7177 16.1348 16.1348 16.1348 16.1348 k = 0.5000 0.5000 0.0607 ( 2588 PWs) bands (ev): -42.6989 -42.6989 -42.6989 -42.6989 -20.3053 -20.3053 -20.3053 -20.3053 -18.3787 -18.3787 -18.3787 -18.3787 -18.0429 -18.0429 -18.0429 -18.0429 -6.6627 -6.6627 -6.6627 -6.6627 -5.1854 -5.1854 -5.1854 -5.1854 5.0058 5.0058 5.0058 5.0058 6.8158 6.8158 6.8158 6.8158 8.2335 8.2335 8.2335 8.2335 8.3266 8.3266 8.3266 8.3266 9.4762 9.4762 9.4762 9.4762 9.6018 9.6018 9.6018 9.6018 13.0907 13.0907 13.0907 13.0907 14.7151 14.7151 14.7151 14.7151 16.1255 16.1255 16.1255 16.1255 k = 0.5000 0.5000 0.0759 ( 2592 PWs) bands (ev): -42.6983 -42.6983 -42.6983 -42.6983 -20.3063 -20.3063 -20.3063 -20.3063 -18.3784 -18.3784 -18.3784 -18.3784 -18.0480 -18.0480 -18.0480 -18.0480 -6.6531 -6.6531 -6.6531 -6.6531 -5.1932 -5.1932 -5.1932 -5.1932 5.0207 5.0207 5.0207 5.0207 6.7936 6.7936 6.7936 6.7936 8.2633 8.2633 8.2633 8.2633 8.3327 8.3327 8.3327 8.3327 9.4649 9.4649 9.4649 9.4649 9.5731 9.5731 9.5731 9.5731 13.1162 13.1162 13.1162 13.1162 14.7120 14.7120 14.7120 14.7120 16.1138 16.1138 16.1138 16.1138 k = 0.5000 0.5000 0.0911 ( 2592 PWs) bands (ev): -42.6975 -42.6975 -42.6975 -42.6975 -20.3075 -20.3075 -20.3075 -20.3075 -18.3780 -18.3780 -18.3780 -18.3780 -18.0540 -18.0540 -18.0540 -18.0540 -6.6415 -6.6415 -6.6415 -6.6415 -5.2028 -5.2028 -5.2028 -5.2028 5.0388 5.0388 5.0388 5.0388 6.7680 6.7680 6.7680 6.7680 8.2977 8.2977 8.2977 8.2977 8.3401 8.3401 8.3401 8.3401 9.4488 9.4488 9.4488 9.4488 9.5412 9.5412 9.5412 9.5412 13.1469 13.1469 13.1469 13.1469 14.7084 14.7084 14.7084 14.7084 16.0994 16.0994 16.0994 16.0994 k = 0.5000 0.5000 0.1063 ( 2584 PWs) bands (ev): -42.6965 -42.6965 -42.6965 -42.6965 -20.3089 -20.3089 -20.3089 -20.3089 -18.3777 -18.3777 -18.3777 -18.3777 -18.0610 -18.0610 -18.0610 -18.0610 -6.6279 -6.6279 -6.6279 -6.6279 -5.2140 -5.2140 -5.2140 -5.2140 5.0600 5.0600 5.0600 5.0600 6.7399 6.7399 6.7399 6.7399 8.3360 8.3360 8.3360 8.3360 8.3490 8.3490 8.3490 8.3490 9.4251 9.4251 9.4251 9.4251 9.5096 9.5096 9.5096 9.5096 13.1822 13.1822 13.1822 13.1822 14.7045 14.7045 14.7045 14.7045 16.0826 16.0826 16.0826 16.0826 k = 0.5000 0.5000 0.1215 ( 2568 PWs) bands (ev): -42.6952 -42.6952 -42.6952 -42.6952 -20.3106 -20.3106 -20.3106 -20.3106 -18.3774 -18.3774 -18.3774 -18.3774 -18.0689 -18.0689 -18.0689 -18.0689 -6.6123 -6.6123 -6.6123 -6.6123 -5.2267 -5.2267 -5.2267 -5.2267 5.0844 5.0844 5.0844 5.0844 6.7097 6.7097 6.7097 6.7097 8.3589 8.3589 8.3589 8.3589 8.3775 8.3775 8.3775 8.3775 9.3902 9.3902 9.3902 9.3902 9.4824 9.4824 9.4824 9.4824 13.2221 13.2221 13.2221 13.2221 14.7004 14.7004 14.7004 14.7004 16.0634 16.0634 16.0634 16.0634 k = 0.5000 0.5000 0.1366 ( 2584 PWs) bands (ev): -42.6943 -42.6943 -42.6943 -42.6943 -20.3125 -20.3125 -20.3125 -20.3125 -18.3771 -18.3771 -18.3771 -18.3771 -18.0775 -18.0775 -18.0775 -18.0775 -6.5949 -6.5949 -6.5949 -6.5949 -5.2411 -5.2411 -5.2411 -5.2411 5.1118 5.1118 5.1118 5.1118 6.6782 6.6782 6.6782 6.6782 8.3703 8.3703 8.3703 8.3703 8.4208 8.4208 8.4208 8.4208 9.3438 9.3438 9.3438 9.3438 9.4607 9.4607 9.4607 9.4607 13.2660 13.2660 13.2660 13.2660 14.6960 14.6960 14.6960 14.6960 16.0416 16.0416 16.0416 16.0416 k = 0.5000 0.5000 0.1518 ( 2576 PWs) bands (ev): -42.6928 -42.6928 -42.6928 -42.6928 -20.3146 -20.3146 -20.3146 -20.3146 -18.3770 -18.3770 -18.3770 -18.3770 -18.0867 -18.0867 -18.0867 -18.0867 -6.5757 -6.5757 -6.5757 -6.5757 -5.2569 -5.2569 -5.2569 -5.2569 5.1421 5.1421 5.1421 5.1421 6.6459 6.6459 6.6459 6.6459 8.3830 8.3830 8.3830 8.3830 8.4653 8.4653 8.4653 8.4653 9.2887 9.2887 9.2887 9.2887 9.4424 9.4424 9.4424 9.4424 13.3139 13.3139 13.3139 13.3139 14.6918 14.6918 14.6918 14.6918 16.0176 16.0176 16.0176 16.0176 k = 0.5000 0.5000 0.1670 ( 2576 PWs) bands (ev): -42.6914 -42.6914 -42.6914 -42.6914 -20.3170 -20.3170 -20.3170 -20.3170 -18.3771 -18.3771 -18.3771 -18.3771 -18.0965 -18.0965 -18.0965 -18.0965 -6.5547 -6.5547 -6.5547 -6.5547 -5.2742 -5.2742 -5.2742 -5.2742 5.1753 5.1753 5.1753 5.1753 6.6132 6.6132 6.6132 6.6132 8.3968 8.3968 8.3968 8.3968 8.5101 8.5101 8.5101 8.5101 9.2273 9.2273 9.2273 9.2273 9.4261 9.4261 9.4261 9.4261 13.3652 13.3652 13.3652 13.3652 14.6877 14.6877 14.6877 14.6877 15.9912 15.9912 15.9912 15.9912 k = 0.5000 0.5000 0.1822 ( 2568 PWs) bands (ev): -42.6898 -42.6898 -42.6898 -42.6898 -20.3197 -20.3197 -20.3197 -20.3197 -18.3775 -18.3775 -18.3775 -18.3775 -18.1066 -18.1066 -18.1066 -18.1066 -6.5321 -6.5321 -6.5321 -6.5321 -5.2929 -5.2929 -5.2929 -5.2929 5.2113 5.2113 5.2113 5.2113 6.5805 6.5805 6.5805 6.5805 8.4120 8.4120 8.4120 8.4120 8.5543 8.5543 8.5543 8.5543 9.1610 9.1610 9.1610 9.1610 9.4112 9.4112 9.4112 9.4112 13.4199 13.4199 13.4199 13.4199 14.6838 14.6838 14.6838 14.6838 15.9626 15.9626 15.9626 15.9626 k = 0.5000 0.5000 0.1974 ( 2568 PWs) bands (ev): -42.6881 -42.6881 -42.6881 -42.6881 -20.3227 -20.3227 -20.3227 -20.3227 -18.3783 -18.3783 -18.3783 -18.3783 -18.1169 -18.1169 -18.1169 -18.1169 -6.5079 -6.5079 -6.5079 -6.5079 -5.3129 -5.3129 -5.3129 -5.3129 5.2499 5.2499 5.2499 5.2499 6.5482 6.5482 6.5482 6.5482 8.4282 8.4282 8.4282 8.4282 8.5967 8.5967 8.5967 8.5967 9.0909 9.0909 9.0909 9.0909 9.3978 9.3978 9.3978 9.3978 13.4776 13.4776 13.4776 13.4776 14.6804 14.6804 14.6804 14.6804 15.9319 15.9319 15.9319 15.9319 k = 0.5000 0.5000 0.2126 ( 2568 PWs) bands (ev): -42.6863 -42.6863 -42.6863 -42.6863 -20.3259 -20.3259 -20.3259 -20.3259 -18.3796 -18.3796 -18.3796 -18.3796 -18.1273 -18.1273 -18.1273 -18.1273 -6.4824 -6.4824 -6.4824 -6.4824 -5.3341 -5.3341 -5.3341 -5.3341 5.2911 5.2911 5.2911 5.2911 6.5165 6.5165 6.5165 6.5165 8.4457 8.4457 8.4457 8.4457 8.6363 8.6363 8.6363 8.6363 9.0175 9.0175 9.0175 9.0175 9.3864 9.3864 9.3864 9.3864 13.5380 13.5380 13.5380 13.5380 14.6775 14.6775 14.6775 14.6775 15.8991 15.8991 15.8991 15.8991 k = 0.5000 0.5000 0.2277 ( 2572 PWs) bands (ev): -42.6845 -42.6845 -42.6845 -42.6845 -20.3294 -20.3294 -20.3294 -20.3294 -18.3814 -18.3814 -18.3814 -18.3814 -18.1375 -18.1375 -18.1375 -18.1375 -6.4554 -6.4554 -6.4554 -6.4554 -5.3565 -5.3565 -5.3565 -5.3565 5.3347 5.3347 5.3347 5.3347 6.4857 6.4857 6.4857 6.4857 8.4642 8.4642 8.4642 8.4642 8.6719 8.6719 8.6719 8.6719 8.9416 8.9416 8.9416 8.9416 9.3779 9.3779 9.3779 9.3779 13.6010 13.6010 13.6010 13.6010 14.6753 14.6753 14.6753 14.6753 15.8644 15.8644 15.8644 15.8644 k = 0.5000 0.5000 0.2429 ( 2564 PWs) bands (ev): -42.6824 -42.6824 -42.6824 -42.6824 -20.3332 -20.3332 -20.3332 -20.3332 -18.3840 -18.3840 -18.3840 -18.3840 -18.1473 -18.1473 -18.1473 -18.1473 -6.4272 -6.4272 -6.4272 -6.4272 -5.3799 -5.3799 -5.3799 -5.3799 5.3805 5.3805 5.3805 5.3805 6.4559 6.4559 6.4559 6.4559 8.4839 8.4839 8.4839 8.4839 8.7021 8.7021 8.7021 8.7021 8.8635 8.8635 8.8635 8.8635 9.3732 9.3732 9.3732 9.3732 13.6664 13.6664 13.6664 13.6664 14.6738 14.6738 14.6738 14.6738 15.8278 15.8278 15.8278 15.8278 k = 0.5000 0.5000 0.2581 ( 2556 PWs) bands (ev): -42.6803 -42.6803 -42.6803 -42.6803 -20.3373 -20.3373 -20.3373 -20.3373 -18.3874 -18.3874 -18.3874 -18.3874 -18.1566 -18.1566 -18.1566 -18.1566 -6.3979 -6.3979 -6.3979 -6.3979 -5.4044 -5.4044 -5.4044 -5.4044 5.4285 5.4285 5.4285 5.4285 6.4274 6.4274 6.4274 6.4274 8.5045 8.5045 8.5045 8.5045 8.7255 8.7255 8.7255 8.7255 8.7840 8.7840 8.7840 8.7840 9.3732 9.3732 9.3732 9.3732 13.7341 13.7341 13.7341 13.7341 14.6731 14.6731 14.6731 14.6731 15.7895 15.7895 15.7895 15.7895 k = 0.5000 0.5000 0.2733 ( 2564 PWs) bands (ev): -42.6783 -42.6783 -42.6783 -42.6783 -20.3417 -20.3417 -20.3417 -20.3417 -18.3917 -18.3917 -18.3917 -18.3917 -18.1651 -18.1651 -18.1651 -18.1651 -6.3675 -6.3675 -6.3675 -6.3675 -5.4297 -5.4297 -5.4297 -5.4297 5.4784 5.4784 5.4784 5.4784 6.4003 6.4003 6.4003 6.4003 8.5261 8.5261 8.5261 8.5261 8.7020 8.7020 8.7020 8.7020 8.7424 8.7424 8.7424 8.7424 9.3788 9.3788 9.3788 9.3788 13.8038 13.8038 13.8038 13.8038 14.6734 14.6734 14.6734 14.6734 15.7494 15.7494 15.7494 15.7494 k = 0.5000 0.5000 0.2885 ( 2568 PWs) bands (ev): -42.6761 -42.6761 -42.6761 -42.6761 -20.3465 -20.3465 -20.3465 -20.3465 -18.3971 -18.3971 -18.3971 -18.3971 -18.1727 -18.1727 -18.1727 -18.1727 -6.3362 -6.3362 -6.3362 -6.3362 -5.4558 -5.4558 -5.4558 -5.4558 5.5301 5.5301 5.5301 5.5301 6.3746 6.3746 6.3746 6.3746 8.5483 8.5483 8.5483 8.5483 8.6206 8.6206 8.6206 8.6206 8.7499 8.7499 8.7499 8.7499 9.3906 9.3906 9.3906 9.3906 13.8756 13.8756 13.8756 13.8756 14.6745 14.6745 14.6745 14.6745 15.7079 15.7079 15.7079 15.7079 k = 0.5000 0.5000 0.3037 ( 2568 PWs) bands (ev): -42.6739 -42.6739 -42.6739 -42.6739 -20.3515 -20.3515 -20.3515 -20.3515 -18.4036 -18.4036 -18.4036 -18.4036 -18.1793 -18.1793 -18.1793 -18.1793 -6.3042 -6.3042 -6.3042 -6.3042 -5.4826 -5.4826 -5.4826 -5.4826 5.5835 5.5835 5.5835 5.5835 6.3505 6.3505 6.3505 6.3505 8.5358 8.5358 8.5358 8.5358 8.5739 8.5739 8.5739 8.5739 8.7493 8.7493 8.7493 8.7493 9.4083 9.4083 9.4083 9.4083 13.9492 13.9492 13.9492 13.9492 14.6766 14.6766 14.6766 14.6766 15.6649 15.6649 15.6649 15.6649 k = 0.5000 0.5000 0.3188 ( 2568 PWs) bands (ev): -42.6715 -42.6715 -42.6715 -42.6715 -20.3568 -20.3568 -20.3568 -20.3568 -18.4113 -18.4113 -18.4113 -18.4113 -18.1847 -18.1847 -18.1847 -18.1847 -6.2715 -6.2715 -6.2715 -6.2715 -5.5100 -5.5100 -5.5100 -5.5100 5.6382 5.6382 5.6382 5.6382 6.3281 6.3281 6.3281 6.3281 8.4537 8.4537 8.4537 8.4537 8.5972 8.5972 8.5972 8.5972 8.7411 8.7411 8.7411 8.7411 9.4315 9.4315 9.4315 9.4315 14.0245 14.0245 14.0245 14.0245 14.6797 14.6797 14.6797 14.6797 15.6207 15.6207 15.6207 15.6207 k = 0.5000 0.5000 0.3340 ( 2568 PWs) bands (ev): -42.6692 -42.6692 -42.6692 -42.6692 -20.3623 -20.3623 -20.3623 -20.3623 -18.4199 -18.4199 -18.4199 -18.4199 -18.1890 -18.1890 -18.1890 -18.1890 -6.2382 -6.2382 -6.2382 -6.2382 -5.5379 -5.5379 -5.5379 -5.5379 5.6942 5.6942 5.6942 5.6942 6.3073 6.3073 6.3073 6.3073 8.3708 8.3708 8.3708 8.3708 8.6222 8.6222 8.6222 8.6222 8.7259 8.7259 8.7259 8.7259 9.4591 9.4591 9.4591 9.4591 14.1015 14.1015 14.1015 14.1015 14.6838 14.6838 14.6838 14.6838 15.5753 15.5753 15.5753 15.5753 k = 0.5000 0.5000 0.3492 ( 2556 PWs) bands (ev): -42.6666 -42.6666 -42.6666 -42.6666 -20.3682 -20.3682 -20.3682 -20.3682 -18.4296 -18.4296 -18.4296 -18.4296 -18.1922 -18.1922 -18.1922 -18.1922 -6.2045 -6.2045 -6.2045 -6.2045 -5.5662 -5.5662 -5.5662 -5.5662 5.7512 5.7512 5.7512 5.7512 6.2883 6.2883 6.2883 6.2883 8.2880 8.2880 8.2880 8.2880 8.6479 8.6479 8.6479 8.6479 8.7049 8.7049 8.7049 8.7049 9.4903 9.4903 9.4903 9.4903 14.1799 14.1799 14.1799 14.1799 14.6890 14.6890 14.6890 14.6890 15.5290 15.5290 15.5290 15.5290 k = 0.5000 0.5000 0.3644 ( 2556 PWs) bands (ev): -42.6642 -42.6642 -42.6642 -42.6642 -20.3743 -20.3743 -20.3743 -20.3743 -18.4401 -18.4401 -18.4401 -18.4401 -18.1943 -18.1943 -18.1943 -18.1943 -6.1706 -6.1706 -6.1706 -6.1706 -5.5947 -5.5947 -5.5947 -5.5947 5.8090 5.8090 5.8090 5.8090 6.2711 6.2711 6.2711 6.2711 8.2057 8.2057 8.2057 8.2057 8.6726 8.6726 8.6726 8.6726 8.6807 8.6807 8.6807 8.6807 9.5238 9.5238 9.5238 9.5238 14.2596 14.2596 14.2596 14.2596 14.6952 14.6952 14.6952 14.6952 15.4818 15.4818 15.4818 15.4818 k = 0.5000 0.5000 0.3796 ( 2572 PWs) bands (ev): -42.6619 -42.6619 -42.6619 -42.6619 -20.3807 -20.3807 -20.3807 -20.3807 -18.4514 -18.4514 -18.4514 -18.4514 -18.1954 -18.1954 -18.1954 -18.1954 -6.1365 -6.1365 -6.1365 -6.1365 -5.6234 -5.6234 -5.6234 -5.6234 5.8673 5.8673 5.8673 5.8673 6.2556 6.2556 6.2556 6.2556 8.1241 8.1241 8.1241 8.1241 8.6485 8.6485 8.6485 8.6485 8.7019 8.7019 8.7019 8.7019 9.5589 9.5589 9.5589 9.5589 14.3404 14.3404 14.3404 14.3404 14.7024 14.7024 14.7024 14.7024 15.4339 15.4339 15.4339 15.4339 k = 0.5000 0.5000 0.3948 ( 2576 PWs) bands (ev): -42.6595 -42.6595 -42.6595 -42.6595 -20.3874 -20.3874 -20.3874 -20.3874 -18.4632 -18.4632 -18.4632 -18.4632 -18.1957 -18.1957 -18.1957 -18.1957 -6.1024 -6.1024 -6.1024 -6.1024 -5.6521 -5.6521 -5.6521 -5.6521 5.9258 5.9258 5.9258 5.9258 6.2420 6.2420 6.2420 6.2420 8.0436 8.0436 8.0436 8.0436 8.6156 8.6156 8.6156 8.6156 8.7294 8.7294 8.7294 8.7294 9.5947 9.5947 9.5947 9.5947 14.4219 14.4219 14.4219 14.4219 14.7112 14.7112 14.7112 14.7112 15.3854 15.3854 15.3854 15.3854 k = 0.5000 0.5000 0.4099 ( 2576 PWs) bands (ev): -42.6570 -42.6570 -42.6570 -42.6570 -20.3942 -20.3942 -20.3942 -20.3942 -18.4753 -18.4753 -18.4753 -18.4753 -18.1952 -18.1952 -18.1952 -18.1952 -6.0684 -6.0684 -6.0684 -6.0684 -5.6806 -5.6806 -5.6806 -5.6806 5.9842 5.9842 5.9842 5.9842 6.2305 6.2305 6.2305 6.2305 7.9644 7.9644 7.9644 7.9644 8.5800 8.5800 8.5800 8.5800 8.7573 8.7573 8.7573 8.7573 9.6308 9.6308 9.6308 9.6308 14.5033 14.5033 14.5033 14.5033 14.7219 14.7219 14.7219 14.7219 15.3367 15.3367 15.3367 15.3367 k = 0.5000 0.5000 0.4251 ( 2576 PWs) bands (ev): -42.6545 -42.6545 -42.6545 -42.6545 -20.4013 -20.4013 -20.4013 -20.4013 -18.4877 -18.4877 -18.4877 -18.4877 -18.1941 -18.1941 -18.1941 -18.1941 -6.0349 -6.0349 -6.0349 -6.0349 -5.7088 -5.7088 -5.7088 -5.7088 6.0418 6.0418 6.0418 6.0418 6.2212 6.2212 6.2212 6.2212 7.8867 7.8867 7.8867 7.8867 8.5425 8.5425 8.5425 8.5425 8.7856 8.7856 8.7856 8.7856 9.6665 9.6665 9.6665 9.6665 14.5824 14.5824 14.5824 14.5824 14.7366 14.7366 14.7366 14.7366 15.2878 15.2878 15.2878 15.2878 k = 0.5000 0.5000 0.4403 ( 2576 PWs) bands (ev): -42.6521 -42.6521 -42.6521 -42.6521 -20.4085 -20.4085 -20.4085 -20.4085 -18.5002 -18.5002 -18.5002 -18.5002 -18.1924 -18.1924 -18.1924 -18.1924 -6.0020 -6.0020 -6.0020 -6.0020 -5.7364 -5.7364 -5.7364 -5.7364 6.0974 6.0974 6.0974 6.0974 6.2153 6.2153 6.2153 6.2153 7.8108 7.8108 7.8108 7.8108 8.5035 8.5035 8.5035 8.5035 8.8142 8.8142 8.8142 8.8142 9.7017 9.7017 9.7017 9.7017 14.6527 14.6527 14.6527 14.6527 14.7614 14.7614 14.7614 14.7614 15.2390 15.2390 15.2390 15.2390 k = 0.5000 0.5000 0.4555 ( 2584 PWs) bands (ev): -42.6497 -42.6497 -42.6497 -42.6497 -20.4159 -20.4159 -20.4159 -20.4159 -18.5127 -18.5127 -18.5127 -18.5127 -18.1903 -18.1903 -18.1903 -18.1903 -5.9703 -5.9703 -5.9703 -5.9703 -5.7630 -5.7630 -5.7630 -5.7630 6.1462 6.1462 6.1462 6.1462 6.2170 6.2170 6.2170 6.2170 7.7369 7.7369 7.7369 7.7369 8.4634 8.4634 8.4634 8.4634 8.8429 8.8429 8.8429 8.8429 9.7359 9.7359 9.7359 9.7359 14.7000 14.7000 14.7000 14.7000 14.8100 14.8100 14.8100 14.8100 15.1908 15.1908 15.1908 15.1908 k = 0.5000 0.5000 0.4707 ( 2584 PWs) bands (ev): -42.6473 -42.6473 -42.6473 -42.6473 -20.4234 -20.4234 -20.4234 -20.4234 -18.5250 -18.5250 -18.5250 -18.5250 -18.1879 -18.1879 -18.1879 -18.1879 -5.9406 -5.9406 -5.9406 -5.9406 -5.7876 -5.7876 -5.7876 -5.7876 6.1730 6.1730 6.1730 6.1730 6.2414 6.2414 6.2414 6.2414 7.6652 7.6652 7.6652 7.6652 8.4226 8.4226 8.4226 8.4226 8.8717 8.8717 8.8717 8.8717 9.7689 9.7689 9.7689 9.7689 14.7247 14.7247 14.7247 14.7247 14.8813 14.8813 14.8813 14.8813 15.1438 15.1438 15.1438 15.1438 k = 0.5000 0.5000 0.4859 ( 2576 PWs) bands (ev): -42.6448 -42.6448 -42.6448 -42.6448 -20.4309 -20.4309 -20.4309 -20.4309 -18.5371 -18.5371 -18.5371 -18.5371 -18.1852 -18.1852 -18.1852 -18.1852 -5.9153 -5.9153 -5.9153 -5.9153 -5.8078 -5.8078 -5.8078 -5.8078 6.1784 6.1784 6.1784 6.1784 6.2874 6.2874 6.2874 6.2874 7.5960 7.5960 7.5960 7.5960 8.3814 8.3814 8.3814 8.3814 8.9004 8.9004 8.9004 8.9004 9.8006 9.8006 9.8006 9.8006 14.7402 14.7402 14.7402 14.7402 14.9588 14.9588 14.9588 14.9588 15.1012 15.1012 15.1012 15.1012 k = 0.5000 0.5000 0.5010 ( 2576 PWs) bands (ev): -42.6425 -42.6425 -42.6425 -42.6425 -20.4385 -20.4385 -20.4385 -20.4385 -18.5489 -18.5489 -18.5489 -18.5489 -18.1823 -18.1823 -18.1823 -18.1823 -5.9010 -5.9010 -5.9010 -5.9010 -5.8171 -5.8171 -5.8171 -5.8171 6.1785 6.1785 6.1785 6.1785 6.3386 6.3386 6.3386 6.3386 7.5296 7.5296 7.5296 7.5296 8.3401 8.3401 8.3401 8.3401 8.9289 8.9289 8.9289 8.9289 9.8310 9.8310 9.8310 9.8310 14.7526 14.7526 14.7526 14.7526 15.0100 15.0100 15.0100 15.0100 15.0891 15.0891 15.0891 15.0891 k = 0.5000 0.5000 0.5162 ( 2576 PWs) bands (ev): -42.6402 -42.6402 -42.6402 -42.6402 -20.4461 -20.4461 -20.4461 -20.4461 -18.5604 -18.5604 -18.5604 -18.5604 -18.1792 -18.1792 -18.1792 -18.1792 -5.9051 -5.9051 -5.9051 -5.9051 -5.8083 -5.8083 -5.8083 -5.8083 6.1781 6.1781 6.1781 6.1781 6.3897 6.3897 6.3897 6.3897 7.4663 7.4663 7.4663 7.4663 8.2989 8.2989 8.2989 8.2989 8.9572 8.9572 8.9572 8.9572 9.8598 9.8598 9.8598 9.8598 14.7633 14.7633 14.7633 14.7633 14.9862 14.9862 14.9862 14.9862 15.1546 15.1546 15.1546 15.1546 k = 0.5000 0.5000 0.5314 ( 2592 PWs) bands (ev): -42.6382 -42.6382 -42.6382 -42.6382 -20.4537 -20.4537 -20.4537 -20.4537 -18.5714 -18.5714 -18.5714 -18.5714 -18.1760 -18.1760 -18.1760 -18.1760 -5.9215 -5.9215 -5.9215 -5.9215 -5.7873 -5.7873 -5.7873 -5.7873 6.1781 6.1781 6.1781 6.1781 6.4392 6.4392 6.4392 6.4392 7.4064 7.4064 7.4064 7.4064 8.2580 8.2580 8.2580 8.2580 8.9850 8.9850 8.9850 8.9850 9.8870 9.8870 9.8870 9.8870 14.7726 14.7726 14.7726 14.7726 14.9457 14.9457 14.9457 14.9457 15.2391 15.2391 15.2391 15.2391 k = 0.5000 0.5000 0.5466 ( 2584 PWs) bands (ev): -42.6360 -42.6360 -42.6360 -42.6360 -20.4612 -20.4612 -20.4612 -20.4612 -18.5819 -18.5819 -18.5819 -18.5819 -18.1728 -18.1728 -18.1728 -18.1728 -5.9421 -5.9421 -5.9421 -5.9421 -5.7622 -5.7622 -5.7622 -5.7622 6.1790 6.1790 6.1790 6.1790 6.4862 6.4862 6.4862 6.4862 7.3503 7.3503 7.3503 7.3503 8.2178 8.2178 8.2178 8.2178 9.0124 9.0124 9.0124 9.0124 9.9126 9.9126 9.9126 9.9126 14.7801 14.7801 14.7801 14.7801 14.9051 14.9051 14.9051 14.9051 15.3261 15.3261 15.3261 15.3261 k = 0.5000 0.5000 0.5618 ( 2584 PWs) bands (ev): -42.6339 -42.6339 -42.6339 -42.6339 -20.4686 -20.4686 -20.4686 -20.4686 -18.5919 -18.5919 -18.5919 -18.5919 -18.1696 -18.1696 -18.1696 -18.1696 -5.9636 -5.9636 -5.9636 -5.9636 -5.7364 -5.7364 -5.7364 -5.7364 6.1807 6.1807 6.1807 6.1807 6.5301 6.5301 6.5301 6.5301 7.2984 7.2984 7.2984 7.2984 8.1783 8.1783 8.1783 8.1783 9.0391 9.0391 9.0391 9.0391 9.9366 9.9366 9.9366 9.9366 14.7834 14.7834 14.7834 14.7834 14.8689 14.8689 14.8689 14.8689 15.4134 15.4134 15.4134 15.4134 k = 0.5000 0.5000 0.5770 ( 2584 PWs) bands (ev): -42.6319 -42.6319 -42.6319 -42.6319 -20.4757 -20.4757 -20.4757 -20.4757 -18.6013 -18.6013 -18.6013 -18.6013 -18.1663 -18.1663 -18.1663 -18.1663 -5.9851 -5.9851 -5.9851 -5.9851 -5.7108 -5.7108 -5.7108 -5.7108 6.1831 6.1831 6.1831 6.1831 6.5703 6.5703 6.5703 6.5703 7.2514 7.2514 7.2514 7.2514 8.1399 8.1399 8.1399 8.1399 9.0651 9.0651 9.0651 9.0651 9.9589 9.9589 9.9589 9.9589 14.7756 14.7756 14.7756 14.7756 14.8445 14.8445 14.8445 14.8445 15.5000 15.5000 15.5000 15.5000 k = 0.5000 0.5000 0.5921 ( 2584 PWs) bands (ev): -42.6300 -42.6300 -42.6300 -42.6300 -20.4827 -20.4827 -20.4827 -20.4827 -18.6102 -18.6102 -18.6102 -18.6102 -18.1632 -18.1632 -18.1632 -18.1632 -6.0059 -6.0059 -6.0059 -6.0059 -5.6860 -5.6860 -5.6860 -5.6860 6.1863 6.1863 6.1863 6.1863 6.6059 6.6059 6.6059 6.6059 7.2098 7.2098 7.2098 7.2098 8.1028 8.1028 8.1028 8.1028 9.0902 9.0902 9.0902 9.0902 9.9796 9.9796 9.9796 9.9796 14.7516 14.7516 14.7516 14.7516 14.8374 14.8374 14.8374 14.8374 15.5853 15.5853 15.5853 15.5853 k = 0.5000 0.5000 0.6073 ( 2580 PWs) bands (ev): -42.6282 -42.6282 -42.6282 -42.6282 -20.4894 -20.4894 -20.4894 -20.4894 -18.6185 -18.6185 -18.6185 -18.6185 -18.1601 -18.1601 -18.1601 -18.1601 -6.0258 -6.0258 -6.0258 -6.0258 -5.6623 -5.6623 -5.6623 -5.6623 6.1901 6.1901 6.1901 6.1901 6.6360 6.6360 6.6360 6.6360 7.1744 7.1744 7.1744 7.1744 8.0670 8.0670 8.0670 8.0670 9.1142 9.1142 9.1142 9.1142 9.9987 9.9987 9.9987 9.9987 14.7193 14.7193 14.7193 14.7193 14.8400 14.8400 14.8400 14.8400 15.6688 15.6688 15.6688 15.6688 k = 0.5000 0.5000 0.6225 ( 2568 PWs) bands (ev): -42.6263 -42.6263 -42.6263 -42.6263 -20.4958 -20.4958 -20.4958 -20.4958 -18.6262 -18.6262 -18.6262 -18.6262 -18.1572 -18.1572 -18.1572 -18.1572 -6.0447 -6.0447 -6.0447 -6.0447 -5.6400 -5.6400 -5.6400 -5.6400 6.1943 6.1943 6.1943 6.1943 6.6600 6.6600 6.6600 6.6600 7.1460 7.1460 7.1460 7.1460 8.0329 8.0329 8.0329 8.0329 9.1372 9.1372 9.1372 9.1372 10.0163 10.0163 10.0163 10.0163 14.6855 14.6855 14.6855 14.6855 14.8457 14.8457 14.8457 14.8457 15.7498 15.7498 15.7498 15.7498 k = 0.5000 0.5000 0.6377 ( 2584 PWs) bands (ev): -42.6249 -42.6249 -42.6249 -42.6249 -20.5019 -20.5019 -20.5019 -20.5019 -18.6333 -18.6333 -18.6333 -18.6333 -18.1544 -18.1544 -18.1544 -18.1544 -6.0624 -6.0624 -6.0624 -6.0624 -5.6190 -5.6190 -5.6190 -5.6190 6.1990 6.1990 6.1990 6.1990 6.6770 6.6770 6.6770 6.6770 7.1251 7.1251 7.1251 7.1251 8.0007 8.0007 8.0007 8.0007 9.1588 9.1588 9.1588 9.1588 10.0322 10.0322 10.0322 10.0322 14.6524 14.6524 14.6524 14.6524 14.8522 14.8522 14.8522 14.8522 15.8278 15.8278 15.8278 15.8278 k = 0.5000 0.5000 0.6529 ( 2592 PWs) bands (ev): -42.6236 -42.6236 -42.6236 -42.6236 -20.5077 -20.5077 -20.5077 -20.5077 -18.6398 -18.6398 -18.6398 -18.6398 -18.1518 -18.1518 -18.1518 -18.1518 -6.0788 -6.0788 -6.0788 -6.0788 -5.5995 -5.5995 -5.5995 -5.5995 6.2038 6.2038 6.2038 6.2038 6.6871 6.6871 6.6871 6.6871 7.1118 7.1118 7.1118 7.1118 7.9704 7.9704 7.9704 7.9704 9.1791 9.1791 9.1791 9.1791 10.0466 10.0466 10.0466 10.0466 14.6211 14.6211 14.6211 14.6211 14.8587 14.8587 14.8587 14.8587 15.9022 15.9022 15.9022 15.9022 k = 0.5000 0.5000 0.6681 ( 2592 PWs) bands (ev): -42.6222 -42.6222 -42.6222 -42.6222 -20.5129 -20.5129 -20.5129 -20.5129 -18.6457 -18.6457 -18.6457 -18.6457 -18.1494 -18.1494 -18.1494 -18.1494 -6.0938 -6.0938 -6.0938 -6.0938 -5.5817 -5.5817 -5.5817 -5.5817 6.2088 6.2088 6.2088 6.2088 6.6905 6.6905 6.6905 6.6905 7.1056 7.1056 7.1056 7.1056 7.9424 7.9424 7.9424 7.9424 9.1978 9.1978 9.1978 9.1978 10.0595 10.0595 10.0595 10.0595 14.5920 14.5920 14.5920 14.5920 14.8650 14.8650 14.8650 14.8650 15.9724 15.9724 15.9724 15.9724 k = 0.5000 0.5000 0.6832 ( 2592 PWs) bands (ev): -42.6210 -42.6210 -42.6210 -42.6210 -20.5178 -20.5178 -20.5178 -20.5178 -18.6509 -18.6509 -18.6509 -18.6509 -18.1472 -18.1472 -18.1472 -18.1472 -6.1075 -6.1075 -6.1075 -6.1075 -5.5655 -5.5655 -5.5655 -5.5655 6.2137 6.2137 6.2137 6.2137 6.6886 6.6886 6.6886 6.6886 7.1052 7.1052 7.1052 7.1052 7.9167 7.9167 7.9167 7.9167 9.2150 9.2150 9.2150 9.2150 10.0709 10.0709 10.0709 10.0709 14.5654 14.5654 14.5654 14.5654 14.8710 14.8710 14.8710 14.8710 16.0376 16.0376 16.0376 16.0376 k = 0.5000 0.5000 0.6984 ( 2592 PWs) bands (ev): -42.6200 -42.6200 -42.6200 -42.6200 -20.5221 -20.5221 -20.5221 -20.5221 -18.6555 -18.6555 -18.6555 -18.6555 -18.1451 -18.1451 -18.1451 -18.1451 -6.1196 -6.1196 -6.1196 -6.1196 -5.5511 -5.5511 -5.5511 -5.5511 6.2184 6.2184 6.2184 6.2184 6.6829 6.6829 6.6829 6.6829 7.1089 7.1089 7.1089 7.1089 7.8936 7.8936 7.8936 7.8936 9.2304 9.2304 9.2304 9.2304 10.0809 10.0809 10.0809 10.0809 14.5414 14.5414 14.5414 14.5414 14.8763 14.8763 14.8763 14.8763 16.0973 16.0973 16.0973 16.0973 k = 0.5000 0.5000 0.7136 ( 2576 PWs) bands (ev): -42.6188 -42.6188 -42.6188 -42.6188 -20.5259 -20.5259 -20.5259 -20.5259 -18.6595 -18.6595 -18.6595 -18.6595 -18.1434 -18.1434 -18.1434 -18.1434 -6.1302 -6.1302 -6.1302 -6.1302 -5.5385 -5.5385 -5.5385 -5.5385 6.2228 6.2228 6.2228 6.2228 6.6751 6.6751 6.6751 6.6751 7.1151 7.1151 7.1151 7.1151 7.8733 7.8733 7.8733 7.8733 9.2439 9.2439 9.2439 9.2439 10.0895 10.0895 10.0895 10.0895 14.5204 14.5204 14.5204 14.5204 14.8812 14.8812 14.8812 14.8812 16.1508 16.1508 16.1508 16.1508 k = 0.5000 0.5000 0.7288 ( 2576 PWs) bands (ev): -42.6180 -42.6180 -42.6180 -42.6180 -20.5292 -20.5292 -20.5292 -20.5292 -18.6629 -18.6629 -18.6629 -18.6629 -18.1419 -18.1419 -18.1419 -18.1419 -6.1393 -6.1393 -6.1393 -6.1393 -5.5278 -5.5278 -5.5278 -5.5278 6.2268 6.2268 6.2268 6.2268 6.6666 6.6666 6.6666 6.6666 7.1224 7.1224 7.1224 7.1224 7.8557 7.8557 7.8557 7.8557 9.2555 9.2555 9.2555 9.2555 10.0967 10.0967 10.0967 10.0967 14.5023 14.5023 14.5023 14.5023 14.8853 14.8853 14.8853 14.8853 16.1974 16.1974 16.1974 16.1974 k = 0.5000 0.5000 0.7440 ( 2576 PWs) bands (ev): -42.6173 -42.6173 -42.6173 -42.6173 -20.5319 -20.5319 -20.5319 -20.5319 -18.6656 -18.6656 -18.6656 -18.6656 -18.1406 -18.1406 -18.1406 -18.1406 -6.1468 -6.1468 -6.1468 -6.1468 -5.5189 -5.5189 -5.5189 -5.5189 6.2302 6.2302 6.2302 6.2302 6.6583 6.6583 6.6583 6.6583 7.1296 7.1296 7.1296 7.1296 7.8412 7.8412 7.8412 7.8412 9.2652 9.2652 9.2652 9.2652 10.1026 10.1026 10.1026 10.1026 14.4874 14.4874 14.4874 14.4874 14.8887 14.8887 14.8887 14.8887 16.2364 16.2364 16.2364 16.2364 k = 0.5000 0.5000 0.7592 ( 2576 PWs) bands (ev): -42.6168 -42.6168 -42.6168 -42.6168 -20.5340 -20.5340 -20.5340 -20.5340 -18.6678 -18.6678 -18.6678 -18.6678 -18.1396 -18.1396 -18.1396 -18.1396 -6.1526 -6.1526 -6.1526 -6.1526 -5.5120 -5.5120 -5.5120 -5.5120 6.2330 6.2330 6.2330 6.2330 6.6512 6.6512 6.6512 6.6512 7.1360 7.1360 7.1360 7.1360 7.8298 7.8298 7.8298 7.8298 9.2727 9.2727 9.2727 9.2727 10.1071 10.1071 10.1071 10.1071 14.4757 14.4757 14.4757 14.4757 14.8914 14.8914 14.8914 14.8914 16.2674 16.2674 16.2674 16.2674 k = 0.5000 0.5000 0.7743 ( 2584 PWs) bands (ev): -42.6166 -42.6166 -42.6166 -42.6166 -20.5356 -20.5356 -20.5356 -20.5356 -18.6693 -18.6693 -18.6693 -18.6693 -18.1389 -18.1389 -18.1389 -18.1389 -6.1568 -6.1568 -6.1568 -6.1568 -5.5071 -5.5071 -5.5071 -5.5071 6.2351 6.2351 6.2351 6.2351 6.6458 6.6458 6.6458 6.6458 7.1409 7.1409 7.1409 7.1409 7.8216 7.8216 7.8216 7.8216 9.2782 9.2782 9.2782 9.2782 10.1104 10.1104 10.1104 10.1104 14.4673 14.4673 14.4673 14.4673 14.8933 14.8933 14.8933 14.8933 16.2898 16.2898 16.2898 16.2898 k = 0.5000 0.5000 0.7895 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5365 -20.5365 -20.5365 -20.5365 -18.6702 -18.6702 -18.6702 -18.6702 -18.1385 -18.1385 -18.1385 -18.1385 -6.1593 -6.1593 -6.1593 -6.1593 -5.5041 -5.5041 -5.5041 -5.5041 6.2363 6.2363 6.2363 6.2363 6.6424 6.6424 6.6424 6.6424 7.1439 7.1439 7.1439 7.1439 7.8166 7.8166 7.8166 7.8166 9.2815 9.2815 9.2815 9.2815 10.1123 10.1123 10.1123 10.1123 14.4622 14.4622 14.4622 14.4622 14.8945 14.8945 14.8945 14.8945 16.3034 16.3034 16.3034 16.3034 k = 0.5000 0.5000 0.8047 ( 2592 PWs) bands (ev): -42.6164 -42.6164 -42.6164 -42.6164 -20.5368 -20.5368 -20.5368 -20.5368 -18.6705 -18.6705 -18.6705 -18.6705 -18.1384 -18.1384 -18.1384 -18.1384 -6.1601 -6.1601 -6.1601 -6.1601 -5.5031 -5.5031 -5.5031 -5.5031 6.2367 6.2367 6.2367 6.2367 6.6412 6.6412 6.6412 6.6412 7.1450 7.1450 7.1450 7.1450 7.8150 7.8150 7.8150 7.8150 9.2826 9.2826 9.2826 9.2826 10.1129 10.1129 10.1129 10.1129 14.4605 14.4605 14.4605 14.4605 14.8949 14.8949 14.8949 14.8949 16.3080 16.3080 16.3080 16.3080 Writing output data file NbO2.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 143.16s CPU 146.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 143.15s CPU 146.01s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 394 calls) cegterg : 131.15s CPU 133.35s WALL ( 413 calls) Called by sum_band: Called by *egterg: h_psi : 63.08s CPU 64.97s WALL ( 6723 calls) s_psi : 4.15s CPU 4.02s WALL ( 6723 calls) g_psi : 0.14s CPU 0.17s WALL ( 5916 calls) cdiaghg : 60.36s CPU 60.30s WALL ( 6310 calls) cegterg:over : 5.38s CPU 5.65s WALL ( 5916 calls) cegterg:upda : 3.57s CPU 3.84s WALL ( 5916 calls) cegterg:last : 2.29s CPU 2.42s WALL ( 1201 calls) cdiaghg:chol : 3.21s CPU 3.35s WALL ( 6310 calls) cdiaghg:inve : 2.21s CPU 2.30s WALL ( 6310 calls) cdiaghg:para : 3.85s CPU 3.89s WALL ( 12620 calls) Called by h_psi: h_psi:vloc : 53.44s CPU 55.02s WALL ( 6723 calls) h_psi:vnl : 9.52s CPU 9.79s WALL ( 6723 calls) add_vuspsi : 4.75s CPU 4.89s WALL ( 6723 calls) General routines calbec : 4.74s CPU 4.88s WALL ( 6723 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.41s CPU 51.90s WALL ( 1005036 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.20s WALL ( 788 calls) Parallel routines fft_scatter : 23.76s CPU 24.43s WALL ( 1005059 calls) PWSCF : 2m39.74s CPU 3m 1.37s WALL This run was terminated on: 20:58:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=