Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:53:15 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: ./MoO2.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 60 37 11 1222 581 100 Max 61 38 13 1225 602 102 Sum 2161 1353 421 44007 21335 3633 bravais-lattice index = 14 lattice parameter (alat) = 9.1601 a.u. unit-cell volume = 446.1272 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.160069 celldm(2)= 1.000000 celldm(3)= 0.580447 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 0.580447 ) 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 1.722811 ) 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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) Mo 14.00 95.94000 Mo( 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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 ) ( 0.2902234 ) 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= 401 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0024938 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0024938 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0024938 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0024938 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0024938 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0024938 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0024938 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0024938 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0024938 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0024938 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024938 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0024938 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0024938 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0024938 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0024938 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0024938 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0024938 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0024938 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0024938 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0024938 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0024938 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024938 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0024938 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0024938 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0024938 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0024938 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0024938 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0024938 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0024938 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0024938 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0024938 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0024938 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0024938 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0024938 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0024938 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0024938 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0024938 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0024938 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0024938 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0024938 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0024938 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0024938 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024938 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0024938 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0024938 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0024938 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0024938 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0024938 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0024938 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0024938 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0024938 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0024938 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0024938 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024938 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0024938 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0024938 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0024938 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0024938 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0024938 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0024938 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0024938 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0024938 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0024938 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0024938 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0024938 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0024938 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0024938 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0024938 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0024938 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0024938 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0024938 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0024938 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0024938 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0024938 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0024938 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0024938 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0024938 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0024938 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0024938 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0024938 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0024938 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0024938 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0024938 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0024938 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0024938 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0024938 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024938 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0024938 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0024938 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0024938 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0024938 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0024938 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0024938 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0024938 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0024938 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0024938 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0024938 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0024938 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0024938 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0024938 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0024938 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0024938 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0024938 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0024938 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0024938 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0024938 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0024938 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0024938 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0024938 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 117) = ( 0.0000000 0.0000000 0.0153822), wk = 0.0024938 k( 118) = ( 0.0000000 0.0000000 0.0307645), wk = 0.0024938 k( 119) = ( 0.0000000 0.0000000 0.0461467), wk = 0.0024938 k( 120) = ( 0.0000000 0.0000000 0.0615290), wk = 0.0024938 k( 121) = ( 0.0000000 0.0000000 0.0769112), wk = 0.0024938 k( 122) = ( 0.0000000 0.0000000 0.0922934), wk = 0.0024938 k( 123) = ( 0.0000000 0.0000000 0.1076757), wk = 0.0024938 k( 124) = ( 0.0000000 0.0000000 0.1230579), wk = 0.0024938 k( 125) = ( 0.0000000 0.0000000 0.1384401), wk = 0.0024938 k( 126) = ( 0.0000000 0.0000000 0.1538224), wk = 0.0024938 k( 127) = ( 0.0000000 0.0000000 0.1692046), wk = 0.0024938 k( 128) = ( 0.0000000 0.0000000 0.1845869), wk = 0.0024938 k( 129) = ( 0.0000000 0.0000000 0.1999691), wk = 0.0024938 k( 130) = ( 0.0000000 0.0000000 0.2153513), wk = 0.0024938 k( 131) = ( 0.0000000 0.0000000 0.2307336), wk = 0.0024938 k( 132) = ( 0.0000000 0.0000000 0.2461158), wk = 0.0024938 k( 133) = ( 0.0000000 0.0000000 0.2614980), wk = 0.0024938 k( 134) = ( 0.0000000 0.0000000 0.2768803), wk = 0.0024938 k( 135) = ( 0.0000000 0.0000000 0.2922625), wk = 0.0024938 k( 136) = ( 0.0000000 0.0000000 0.3076448), wk = 0.0024938 k( 137) = ( 0.0000000 0.0000000 0.3230270), wk = 0.0024938 k( 138) = ( 0.0000000 0.0000000 0.3384092), wk = 0.0024938 k( 139) = ( 0.0000000 0.0000000 0.3537915), wk = 0.0024938 k( 140) = ( 0.0000000 0.0000000 0.3691737), wk = 0.0024938 k( 141) = ( 0.0000000 0.0000000 0.3845560), wk = 0.0024938 k( 142) = ( 0.0000000 0.0000000 0.3999382), wk = 0.0024938 k( 143) = ( 0.0000000 0.0000000 0.4153204), wk = 0.0024938 k( 144) = ( 0.0000000 0.0000000 0.4307027), wk = 0.0024938 k( 145) = ( 0.0000000 0.0000000 0.4460849), wk = 0.0024938 k( 146) = ( 0.0000000 0.0000000 0.4614671), wk = 0.0024938 k( 147) = ( 0.0000000 0.0000000 0.4768494), wk = 0.0024938 k( 148) = ( 0.0000000 0.0000000 0.4922316), wk = 0.0024938 k( 149) = ( 0.0000000 0.0000000 0.5076139), wk = 0.0024938 k( 150) = ( 0.0000000 0.0000000 0.5229961), wk = 0.0024938 k( 151) = ( 0.0000000 0.0000000 0.5383783), wk = 0.0024938 k( 152) = ( 0.0000000 0.0000000 0.5537606), wk = 0.0024938 k( 153) = ( 0.0000000 0.0000000 0.5691428), wk = 0.0024938 k( 154) = ( 0.0000000 0.0000000 0.5845250), wk = 0.0024938 k( 155) = ( 0.0000000 0.0000000 0.5999073), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.6152895), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.6306718), wk = 0.0024938 k( 158) = ( 0.0000000 0.0000000 0.6460540), wk = 0.0024938 k( 159) = ( 0.0000000 0.0000000 0.6614362), wk = 0.0024938 k( 160) = ( 0.0000000 0.0000000 0.6768185), wk = 0.0024938 k( 161) = ( 0.0000000 0.0000000 0.6922007), wk = 0.0024938 k( 162) = ( 0.0000000 0.0000000 0.7075829), wk = 0.0024938 k( 163) = ( 0.0000000 0.0000000 0.7229652), wk = 0.0024938 k( 164) = ( 0.0000000 0.0000000 0.7383474), wk = 0.0024938 k( 165) = ( 0.0000000 0.0000000 0.7537297), wk = 0.0024938 k( 166) = ( 0.0000000 0.0000000 0.7691119), wk = 0.0024938 k( 167) = ( 0.0000000 0.0000000 0.7844941), wk = 0.0024938 k( 168) = ( 0.0000000 0.0000000 0.7998764), wk = 0.0024938 k( 169) = ( 0.0000000 0.0000000 0.8152586), wk = 0.0024938 k( 170) = ( 0.0000000 0.0000000 0.8306408), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.8460231), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.8614053), wk = 0.0024938 k( 173) = ( 0.0000000 0.0000000 0.8614053), wk = 0.0024938 k( 174) = ( 0.0000000 0.0151515 0.8614053), wk = 0.0024938 k( 175) = ( 0.0000000 0.0303030 0.8614053), wk = 0.0024938 k( 176) = ( 0.0000000 0.0454546 0.8614053), wk = 0.0024938 k( 177) = ( 0.0000000 0.0606061 0.8614053), wk = 0.0024938 k( 178) = ( 0.0000000 0.0757576 0.8614053), wk = 0.0024938 k( 179) = ( 0.0000000 0.0909091 0.8614053), wk = 0.0024938 k( 180) = ( 0.0000000 0.1060606 0.8614053), wk = 0.0024938 k( 181) = ( 0.0000000 0.1212121 0.8614053), wk = 0.0024938 k( 182) = ( 0.0000000 0.1363636 0.8614053), wk = 0.0024938 k( 183) = ( 0.0000000 0.1515151 0.8614053), wk = 0.0024938 k( 184) = ( 0.0000000 0.1666667 0.8614053), wk = 0.0024938 k( 185) = ( 0.0000000 0.1818182 0.8614053), wk = 0.0024938 k( 186) = ( 0.0000000 0.1969697 0.8614053), wk = 0.0024938 k( 187) = ( 0.0000000 0.2121212 0.8614053), wk = 0.0024938 k( 188) = ( 0.0000000 0.2272727 0.8614053), wk = 0.0024938 k( 189) = ( 0.0000000 0.2424242 0.8614053), wk = 0.0024938 k( 190) = ( 0.0000000 0.2575758 0.8614053), wk = 0.0024938 k( 191) = ( 0.0000000 0.2727273 0.8614053), wk = 0.0024938 k( 192) = ( 0.0000000 0.2878788 0.8614053), wk = 0.0024938 k( 193) = ( 0.0000000 0.3030303 0.8614053), wk = 0.0024938 k( 194) = ( 0.0000000 0.3181818 0.8614053), wk = 0.0024938 k( 195) = ( 0.0000000 0.3333333 0.8614053), wk = 0.0024938 k( 196) = ( 0.0000000 0.3484849 0.8614053), wk = 0.0024938 k( 197) = ( 0.0000000 0.3636364 0.8614053), wk = 0.0024938 k( 198) = ( 0.0000000 0.3787879 0.8614053), wk = 0.0024938 k( 199) = ( 0.0000000 0.3939394 0.8614053), wk = 0.0024938 k( 200) = ( 0.0000000 0.4090909 0.8614053), wk = 0.0024938 k( 201) = ( 0.0000000 0.4242424 0.8614053), wk = 0.0024938 k( 202) = ( 0.0000000 0.4393939 0.8614053), wk = 0.0024938 k( 203) = ( 0.0000000 0.4545455 0.8614053), wk = 0.0024938 k( 204) = ( 0.0000000 0.4696970 0.8614053), wk = 0.0024938 k( 205) = ( 0.0000000 0.4848485 0.8614053), wk = 0.0024938 k( 206) = ( 0.0000000 0.5000000 0.8614053), wk = 0.0024938 k( 207) = ( 0.0000000 0.5000000 0.8614053), wk = 0.0024938 k( 208) = ( 0.0151515 0.5000000 0.8614053), wk = 0.0024938 k( 209) = ( 0.0303030 0.5000000 0.8614053), wk = 0.0024938 k( 210) = ( 0.0454546 0.5000000 0.8614053), wk = 0.0024938 k( 211) = ( 0.0606061 0.5000000 0.8614053), wk = 0.0024938 k( 212) = ( 0.0757576 0.5000000 0.8614053), wk = 0.0024938 k( 213) = ( 0.0909091 0.5000000 0.8614053), wk = 0.0024938 k( 214) = ( 0.1060606 0.5000000 0.8614053), wk = 0.0024938 k( 215) = ( 0.1212121 0.5000000 0.8614053), wk = 0.0024938 k( 216) = ( 0.1363636 0.5000000 0.8614053), wk = 0.0024938 k( 217) = ( 0.1515151 0.5000000 0.8614053), wk = 0.0024938 k( 218) = ( 0.1666667 0.5000000 0.8614053), wk = 0.0024938 k( 219) = ( 0.1818182 0.5000000 0.8614053), wk = 0.0024938 k( 220) = ( 0.1969697 0.5000000 0.8614053), wk = 0.0024938 k( 221) = ( 0.2121212 0.5000000 0.8614053), wk = 0.0024938 k( 222) = ( 0.2272727 0.5000000 0.8614053), wk = 0.0024938 k( 223) = ( 0.2424242 0.5000000 0.8614053), wk = 0.0024938 k( 224) = ( 0.2575758 0.5000000 0.8614053), wk = 0.0024938 k( 225) = ( 0.2727273 0.5000000 0.8614053), wk = 0.0024938 k( 226) = ( 0.2878788 0.5000000 0.8614053), wk = 0.0024938 k( 227) = ( 0.3030303 0.5000000 0.8614053), wk = 0.0024938 k( 228) = ( 0.3181818 0.5000000 0.8614053), wk = 0.0024938 k( 229) = ( 0.3333333 0.5000000 0.8614053), wk = 0.0024938 k( 230) = ( 0.3484849 0.5000000 0.8614053), wk = 0.0024938 k( 231) = ( 0.3636364 0.5000000 0.8614053), wk = 0.0024938 k( 232) = ( 0.3787879 0.5000000 0.8614053), wk = 0.0024938 k( 233) = ( 0.3939394 0.5000000 0.8614053), wk = 0.0024938 k( 234) = ( 0.4090909 0.5000000 0.8614053), wk = 0.0024938 k( 235) = ( 0.4242424 0.5000000 0.8614053), wk = 0.0024938 k( 236) = ( 0.4393939 0.5000000 0.8614053), wk = 0.0024938 k( 237) = ( 0.4545455 0.5000000 0.8614053), wk = 0.0024938 k( 238) = ( 0.4696970 0.5000000 0.8614053), wk = 0.0024938 k( 239) = ( 0.4848485 0.5000000 0.8614053), wk = 0.0024938 k( 240) = ( 0.5000000 0.5000000 0.8614053), wk = 0.0024938 k( 241) = ( 0.5000000 0.5000000 0.8614053), wk = 0.0024938 k( 242) = ( 0.4891304 0.4891304 0.8614053), wk = 0.0024938 k( 243) = ( 0.4782609 0.4782609 0.8614053), wk = 0.0024938 k( 244) = ( 0.4673913 0.4673913 0.8614053), wk = 0.0024938 k( 245) = ( 0.4565217 0.4565217 0.8614053), wk = 0.0024938 k( 246) = ( 0.4456522 0.4456522 0.8614053), wk = 0.0024938 k( 247) = ( 0.4347826 0.4347826 0.8614053), wk = 0.0024938 k( 248) = ( 0.4239130 0.4239130 0.8614053), wk = 0.0024938 k( 249) = ( 0.4130435 0.4130435 0.8614053), wk = 0.0024938 k( 250) = ( 0.4021739 0.4021739 0.8614053), wk = 0.0024938 k( 251) = ( 0.3913044 0.3913043 0.8614053), wk = 0.0024938 k( 252) = ( 0.3804348 0.3804348 0.8614053), wk = 0.0024938 k( 253) = ( 0.3695652 0.3695652 0.8614053), wk = 0.0024938 k( 254) = ( 0.3586956 0.3586956 0.8614053), wk = 0.0024938 k( 255) = ( 0.3478261 0.3478261 0.8614053), wk = 0.0024938 k( 256) = ( 0.3369565 0.3369565 0.8614053), wk = 0.0024938 k( 257) = ( 0.3260870 0.3260870 0.8614053), wk = 0.0024938 k( 258) = ( 0.3152174 0.3152174 0.8614053), wk = 0.0024938 k( 259) = ( 0.3043478 0.3043478 0.8614053), wk = 0.0024938 k( 260) = ( 0.2934783 0.2934783 0.8614053), wk = 0.0024938 k( 261) = ( 0.2826087 0.2826087 0.8614053), wk = 0.0024938 k( 262) = ( 0.2717391 0.2717391 0.8614053), wk = 0.0024938 k( 263) = ( 0.2608696 0.2608696 0.8614053), wk = 0.0024938 k( 264) = ( 0.2500000 0.2500000 0.8614053), wk = 0.0024938 k( 265) = ( 0.2391304 0.2391304 0.8614053), wk = 0.0024938 k( 266) = ( 0.2282609 0.2282609 0.8614053), wk = 0.0024938 k( 267) = ( 0.2173913 0.2173913 0.8614053), wk = 0.0024938 k( 268) = ( 0.2065217 0.2065217 0.8614053), wk = 0.0024938 k( 269) = ( 0.1956522 0.1956522 0.8614053), wk = 0.0024938 k( 270) = ( 0.1847826 0.1847826 0.8614053), wk = 0.0024938 k( 271) = ( 0.1739130 0.1739130 0.8614053), wk = 0.0024938 k( 272) = ( 0.1630435 0.1630435 0.8614053), wk = 0.0024938 k( 273) = ( 0.1521739 0.1521739 0.8614053), wk = 0.0024938 k( 274) = ( 0.1413043 0.1413043 0.8614053), wk = 0.0024938 k( 275) = ( 0.1304348 0.1304348 0.8614053), wk = 0.0024938 k( 276) = ( 0.1195652 0.1195652 0.8614053), wk = 0.0024938 k( 277) = ( 0.1086957 0.1086956 0.8614053), wk = 0.0024938 k( 278) = ( 0.0978261 0.0978261 0.8614053), wk = 0.0024938 k( 279) = ( 0.0869565 0.0869565 0.8614053), wk = 0.0024938 k( 280) = ( 0.0760870 0.0760870 0.8614053), wk = 0.0024938 k( 281) = ( 0.0652174 0.0652174 0.8614053), wk = 0.0024938 k( 282) = ( 0.0543478 0.0543478 0.8614053), wk = 0.0024938 k( 283) = ( 0.0434783 0.0434783 0.8614053), wk = 0.0024938 k( 284) = ( 0.0326087 0.0326087 0.8614053), wk = 0.0024938 k( 285) = ( 0.0217391 0.0217391 0.8614053), wk = 0.0024938 k( 286) = ( 0.0108696 0.0108696 0.8614053), wk = 0.0024938 k( 287) = ( 0.0000000 0.0000000 0.8614053), wk = 0.0024938 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 289) = ( 0.0000000 0.5000000 0.0153822), wk = 0.0024938 k( 290) = ( 0.0000000 0.5000000 0.0307645), wk = 0.0024938 k( 291) = ( 0.0000000 0.5000000 0.0461467), wk = 0.0024938 k( 292) = ( 0.0000000 0.5000000 0.0615290), wk = 0.0024938 k( 293) = ( 0.0000000 0.5000000 0.0769112), wk = 0.0024938 k( 294) = ( 0.0000000 0.5000000 0.0922934), wk = 0.0024938 k( 295) = ( 0.0000000 0.5000000 0.1076757), wk = 0.0024938 k( 296) = ( 0.0000000 0.5000000 0.1230579), wk = 0.0024938 k( 297) = ( 0.0000000 0.5000000 0.1384401), wk = 0.0024938 k( 298) = ( 0.0000000 0.5000000 0.1538224), wk = 0.0024938 k( 299) = ( 0.0000000 0.5000000 0.1692046), wk = 0.0024938 k( 300) = ( 0.0000000 0.5000000 0.1845869), wk = 0.0024938 k( 301) = ( 0.0000000 0.5000000 0.1999691), wk = 0.0024938 k( 302) = ( 0.0000000 0.5000000 0.2153513), wk = 0.0024938 k( 303) = ( 0.0000000 0.5000000 0.2307336), wk = 0.0024938 k( 304) = ( 0.0000000 0.5000000 0.2461158), wk = 0.0024938 k( 305) = ( 0.0000000 0.5000000 0.2614980), wk = 0.0024938 k( 306) = ( 0.0000000 0.5000000 0.2768803), wk = 0.0024938 k( 307) = ( 0.0000000 0.5000000 0.2922625), wk = 0.0024938 k( 308) = ( 0.0000000 0.5000000 0.3076448), wk = 0.0024938 k( 309) = ( 0.0000000 0.5000000 0.3230270), wk = 0.0024938 k( 310) = ( 0.0000000 0.5000000 0.3384092), wk = 0.0024938 k( 311) = ( 0.0000000 0.5000000 0.3537915), wk = 0.0024938 k( 312) = ( 0.0000000 0.5000000 0.3691737), wk = 0.0024938 k( 313) = ( 0.0000000 0.5000000 0.3845560), wk = 0.0024938 k( 314) = ( 0.0000000 0.5000000 0.3999382), wk = 0.0024938 k( 315) = ( 0.0000000 0.5000000 0.4153204), wk = 0.0024938 k( 316) = ( 0.0000000 0.5000000 0.4307027), wk = 0.0024938 k( 317) = ( 0.0000000 0.5000000 0.4460849), wk = 0.0024938 k( 318) = ( 0.0000000 0.5000000 0.4614671), wk = 0.0024938 k( 319) = ( 0.0000000 0.5000000 0.4768494), wk = 0.0024938 k( 320) = ( 0.0000000 0.5000000 0.4922316), wk = 0.0024938 k( 321) = ( 0.0000000 0.5000000 0.5076139), wk = 0.0024938 k( 322) = ( 0.0000000 0.5000000 0.5229961), wk = 0.0024938 k( 323) = ( 0.0000000 0.5000000 0.5383783), wk = 0.0024938 k( 324) = ( 0.0000000 0.5000000 0.5537606), wk = 0.0024938 k( 325) = ( 0.0000000 0.5000000 0.5691428), wk = 0.0024938 k( 326) = ( 0.0000000 0.5000000 0.5845250), wk = 0.0024938 k( 327) = ( 0.0000000 0.5000000 0.5999073), wk = 0.0024938 k( 328) = ( 0.0000000 0.5000000 0.6152895), wk = 0.0024938 k( 329) = ( 0.0000000 0.5000000 0.6306718), wk = 0.0024938 k( 330) = ( 0.0000000 0.5000000 0.6460540), wk = 0.0024938 k( 331) = ( 0.0000000 0.5000000 0.6614362), wk = 0.0024938 k( 332) = ( 0.0000000 0.5000000 0.6768185), wk = 0.0024938 k( 333) = ( 0.0000000 0.5000000 0.6922007), wk = 0.0024938 k( 334) = ( 0.0000000 0.5000000 0.7075829), wk = 0.0024938 k( 335) = ( 0.0000000 0.5000000 0.7229652), wk = 0.0024938 k( 336) = ( 0.0000000 0.5000000 0.7383474), wk = 0.0024938 k( 337) = ( 0.0000000 0.5000000 0.7537297), wk = 0.0024938 k( 338) = ( 0.0000000 0.5000000 0.7691119), wk = 0.0024938 k( 339) = ( 0.0000000 0.5000000 0.7844941), wk = 0.0024938 k( 340) = ( 0.0000000 0.5000000 0.7998764), wk = 0.0024938 k( 341) = ( 0.0000000 0.5000000 0.8152586), wk = 0.0024938 k( 342) = ( 0.0000000 0.5000000 0.8306408), wk = 0.0024938 k( 343) = ( 0.0000000 0.5000000 0.8460231), wk = 0.0024938 k( 344) = ( 0.0000000 0.5000000 0.8614053), wk = 0.0024938 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 346) = ( 0.5000000 0.5000000 0.0153822), wk = 0.0024938 k( 347) = ( 0.5000000 0.5000000 0.0307645), wk = 0.0024938 k( 348) = ( 0.5000000 0.5000000 0.0461467), wk = 0.0024938 k( 349) = ( 0.5000000 0.5000000 0.0615290), wk = 0.0024938 k( 350) = ( 0.5000000 0.5000000 0.0769112), wk = 0.0024938 k( 351) = ( 0.5000000 0.5000000 0.0922934), wk = 0.0024938 k( 352) = ( 0.5000000 0.5000000 0.1076757), wk = 0.0024938 k( 353) = ( 0.5000000 0.5000000 0.1230579), wk = 0.0024938 k( 354) = ( 0.5000000 0.5000000 0.1384401), wk = 0.0024938 k( 355) = ( 0.5000000 0.5000000 0.1538224), wk = 0.0024938 k( 356) = ( 0.5000000 0.5000000 0.1692046), wk = 0.0024938 k( 357) = ( 0.5000000 0.5000000 0.1845869), wk = 0.0024938 k( 358) = ( 0.5000000 0.5000000 0.1999691), wk = 0.0024938 k( 359) = ( 0.5000000 0.5000000 0.2153513), wk = 0.0024938 k( 360) = ( 0.5000000 0.5000000 0.2307336), wk = 0.0024938 k( 361) = ( 0.5000000 0.5000000 0.2461158), wk = 0.0024938 k( 362) = ( 0.5000000 0.5000000 0.2614980), wk = 0.0024938 k( 363) = ( 0.5000000 0.5000000 0.2768803), wk = 0.0024938 k( 364) = ( 0.5000000 0.5000000 0.2922625), wk = 0.0024938 k( 365) = ( 0.5000000 0.5000000 0.3076448), wk = 0.0024938 k( 366) = ( 0.5000000 0.5000000 0.3230270), wk = 0.0024938 k( 367) = ( 0.5000000 0.5000000 0.3384092), wk = 0.0024938 k( 368) = ( 0.5000000 0.5000000 0.3537915), wk = 0.0024938 k( 369) = ( 0.5000000 0.5000000 0.3691737), wk = 0.0024938 k( 370) = ( 0.5000000 0.5000000 0.3845560), wk = 0.0024938 k( 371) = ( 0.5000000 0.5000000 0.3999382), wk = 0.0024938 k( 372) = ( 0.5000000 0.5000000 0.4153204), wk = 0.0024938 k( 373) = ( 0.5000000 0.5000000 0.4307027), wk = 0.0024938 k( 374) = ( 0.5000000 0.5000000 0.4460849), wk = 0.0024938 k( 375) = ( 0.5000000 0.5000000 0.4614671), wk = 0.0024938 k( 376) = ( 0.5000000 0.5000000 0.4768494), wk = 0.0024938 k( 377) = ( 0.5000000 0.5000000 0.4922316), wk = 0.0024938 k( 378) = ( 0.5000000 0.5000000 0.5076139), wk = 0.0024938 k( 379) = ( 0.5000000 0.5000000 0.5229961), wk = 0.0024938 k( 380) = ( 0.5000000 0.5000000 0.5383783), wk = 0.0024938 k( 381) = ( 0.5000000 0.5000000 0.5537606), wk = 0.0024938 k( 382) = ( 0.5000000 0.5000000 0.5691428), wk = 0.0024938 k( 383) = ( 0.5000000 0.5000000 0.5845250), wk = 0.0024938 k( 384) = ( 0.5000000 0.5000000 0.5999073), wk = 0.0024938 k( 385) = ( 0.5000000 0.5000000 0.6152895), wk = 0.0024938 k( 386) = ( 0.5000000 0.5000000 0.6306718), wk = 0.0024938 k( 387) = ( 0.5000000 0.5000000 0.6460540), wk = 0.0024938 k( 388) = ( 0.5000000 0.5000000 0.6614362), wk = 0.0024938 k( 389) = ( 0.5000000 0.5000000 0.6768185), wk = 0.0024938 k( 390) = ( 0.5000000 0.5000000 0.6922007), wk = 0.0024938 k( 391) = ( 0.5000000 0.5000000 0.7075829), wk = 0.0024938 k( 392) = ( 0.5000000 0.5000000 0.7229652), wk = 0.0024938 k( 393) = ( 0.5000000 0.5000000 0.7383474), wk = 0.0024938 k( 394) = ( 0.5000000 0.5000000 0.7537297), wk = 0.0024938 k( 395) = ( 0.5000000 0.5000000 0.7691119), wk = 0.0024938 k( 396) = ( 0.5000000 0.5000000 0.7844941), wk = 0.0024938 k( 397) = ( 0.5000000 0.5000000 0.7998764), wk = 0.0024938 k( 398) = ( 0.5000000 0.5000000 0.8152586), wk = 0.0024938 k( 399) = ( 0.5000000 0.5000000 0.8306408), wk = 0.0024938 k( 400) = ( 0.5000000 0.5000000 0.8460231), wk = 0.0024938 k( 401) = ( 0.5000000 0.5000000 0.8614053), wk = 0.0024938 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0024938 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0024938 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0024938 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0024938 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0024938 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0024938 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0024938 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0024938 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0024938 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0024938 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024938 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0024938 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0024938 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0024938 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0024938 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0024938 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0024938 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0024938 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0024938 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0024938 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0024938 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024938 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0024938 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0024938 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0024938 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0024938 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0024938 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0024938 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0024938 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0024938 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0024938 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0024938 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0024938 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0024938 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0024938 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0024938 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0024938 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0024938 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0024938 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0024938 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0024938 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0024938 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024938 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0024938 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0024938 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0024938 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0024938 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0024938 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0024938 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0024938 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0024938 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0024938 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0024938 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024938 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0024938 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0024938 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0024938 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0024938 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0024938 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0024938 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0024938 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0024938 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0024938 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0024938 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0024938 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0024938 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0024938 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0024938 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0024938 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0024938 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0024938 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0024938 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0024938 k( 79) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0024938 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0024938 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0024938 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0024938 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0024938 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0024938 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0024938 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0024938 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0024938 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0024938 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0024938 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0024938 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0024938 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024938 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0024938 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0024938 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0024938 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0024938 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0024938 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0024938 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0024938 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0024938 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0024938 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0024938 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0024938 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0024938 k( 105) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0024938 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0024938 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0024938 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0024938 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0024938 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0024938 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0024938 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0024938 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0024938 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0024938 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 117) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0024938 k( 118) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0024938 k( 119) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0024938 k( 120) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024938 k( 121) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0024938 k( 122) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0024938 k( 123) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024938 k( 124) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024938 k( 125) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0024938 k( 126) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0024938 k( 127) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0024938 k( 128) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024938 k( 129) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0024938 k( 130) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024938 k( 131) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0024938 k( 132) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024938 k( 133) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0024938 k( 134) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0024938 k( 135) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0024938 k( 136) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024938 k( 137) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024938 k( 138) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0024938 k( 139) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0024938 k( 140) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024938 k( 141) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0024938 k( 142) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0024938 k( 143) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0024938 k( 144) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024938 k( 145) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0024938 k( 146) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0024938 k( 147) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0024938 k( 148) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024938 k( 149) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0024938 k( 150) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0024938 k( 151) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024938 k( 152) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024938 k( 153) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0024938 k( 154) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0024938 k( 155) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0024938 k( 158) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024938 k( 159) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0024938 k( 160) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024938 k( 161) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0024938 k( 162) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0024938 k( 163) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0024938 k( 164) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024938 k( 165) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024938 k( 166) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0024938 k( 167) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0024938 k( 168) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024938 k( 169) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0024938 k( 170) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 174) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0024938 k( 175) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0024938 k( 176) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0024938 k( 177) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0024938 k( 178) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0024938 k( 179) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0024938 k( 180) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0024938 k( 181) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0024938 k( 182) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0024938 k( 183) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0024938 k( 184) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024938 k( 185) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0024938 k( 186) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0024938 k( 187) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0024938 k( 188) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0024938 k( 189) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0024938 k( 190) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0024938 k( 191) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0024938 k( 192) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0024938 k( 193) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0024938 k( 194) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0024938 k( 195) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024938 k( 196) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0024938 k( 197) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0024938 k( 198) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0024938 k( 199) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0024938 k( 200) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0024938 k( 201) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0024938 k( 202) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0024938 k( 203) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0024938 k( 204) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0024938 k( 205) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0024938 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024938 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024938 k( 208) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0024938 k( 209) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0024938 k( 210) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0024938 k( 211) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0024938 k( 212) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0024938 k( 213) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0024938 k( 214) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0024938 k( 215) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0024938 k( 216) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0024938 k( 217) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0024938 k( 218) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024938 k( 219) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0024938 k( 220) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0024938 k( 221) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0024938 k( 222) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0024938 k( 223) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0024938 k( 224) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0024938 k( 225) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0024938 k( 226) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0024938 k( 227) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0024938 k( 228) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0024938 k( 229) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024938 k( 230) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0024938 k( 231) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0024938 k( 232) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0024938 k( 233) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0024938 k( 234) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0024938 k( 235) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0024938 k( 236) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0024938 k( 237) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0024938 k( 238) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0024938 k( 239) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0024938 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024938 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024938 k( 242) = ( 0.4891304 0.4891304 0.5000000), wk = 0.0024938 k( 243) = ( 0.4782609 0.4782609 0.5000000), wk = 0.0024938 k( 244) = ( 0.4673913 0.4673913 0.5000000), wk = 0.0024938 k( 245) = ( 0.4565217 0.4565217 0.5000000), wk = 0.0024938 k( 246) = ( 0.4456522 0.4456522 0.5000000), wk = 0.0024938 k( 247) = ( 0.4347826 0.4347826 0.5000000), wk = 0.0024938 k( 248) = ( 0.4239130 0.4239130 0.5000000), wk = 0.0024938 k( 249) = ( 0.4130435 0.4130435 0.5000000), wk = 0.0024938 k( 250) = ( 0.4021739 0.4021739 0.5000000), wk = 0.0024938 k( 251) = ( 0.3913044 0.3913044 0.5000000), wk = 0.0024938 k( 252) = ( 0.3804348 0.3804348 0.5000000), wk = 0.0024938 k( 253) = ( 0.3695652 0.3695652 0.5000000), wk = 0.0024938 k( 254) = ( 0.3586956 0.3586956 0.5000000), wk = 0.0024938 k( 255) = ( 0.3478261 0.3478261 0.5000000), wk = 0.0024938 k( 256) = ( 0.3369565 0.3369565 0.5000000), wk = 0.0024938 k( 257) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0024938 k( 258) = ( 0.3152174 0.3152174 0.5000000), wk = 0.0024938 k( 259) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0024938 k( 260) = ( 0.2934783 0.2934783 0.5000000), wk = 0.0024938 k( 261) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0024938 k( 262) = ( 0.2717391 0.2717391 0.5000000), wk = 0.0024938 k( 263) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0024938 k( 264) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024938 k( 265) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0024938 k( 266) = ( 0.2282609 0.2282609 0.5000000), wk = 0.0024938 k( 267) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0024938 k( 268) = ( 0.2065217 0.2065217 0.5000000), wk = 0.0024938 k( 269) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0024938 k( 270) = ( 0.1847826 0.1847826 0.5000000), wk = 0.0024938 k( 271) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0024938 k( 272) = ( 0.1630435 0.1630435 0.5000000), wk = 0.0024938 k( 273) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0024938 k( 274) = ( 0.1413043 0.1413043 0.5000000), wk = 0.0024938 k( 275) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0024938 k( 276) = ( 0.1195652 0.1195652 0.5000000), wk = 0.0024938 k( 277) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0024938 k( 278) = ( 0.0978261 0.0978261 0.5000000), wk = 0.0024938 k( 279) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0024938 k( 280) = ( 0.0760870 0.0760870 0.5000000), wk = 0.0024938 k( 281) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0024938 k( 282) = ( 0.0543478 0.0543478 0.5000000), wk = 0.0024938 k( 283) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0024938 k( 284) = ( 0.0326087 0.0326087 0.5000000), wk = 0.0024938 k( 285) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0024938 k( 286) = ( 0.0108696 0.0108696 0.5000000), wk = 0.0024938 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024938 k( 289) = ( 0.0000000 0.5000000 0.0089286), wk = 0.0024938 k( 290) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0024938 k( 291) = ( 0.0000000 0.5000000 0.0267857), wk = 0.0024938 k( 292) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024938 k( 293) = ( 0.0000000 0.5000000 0.0446429), wk = 0.0024938 k( 294) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0024938 k( 295) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0024938 k( 296) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024938 k( 297) = ( 0.0000000 0.5000000 0.0803571), wk = 0.0024938 k( 298) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0024938 k( 299) = ( 0.0000000 0.5000000 0.0982143), wk = 0.0024938 k( 300) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024938 k( 301) = ( 0.0000000 0.5000000 0.1160714), wk = 0.0024938 k( 302) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024938 k( 303) = ( 0.0000000 0.5000000 0.1339286), wk = 0.0024938 k( 304) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024938 k( 305) = ( 0.0000000 0.5000000 0.1517857), wk = 0.0024938 k( 306) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0024938 k( 307) = ( 0.0000000 0.5000000 0.1696429), wk = 0.0024938 k( 308) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024938 k( 309) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0024938 k( 310) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0024938 k( 311) = ( 0.0000000 0.5000000 0.2053571), wk = 0.0024938 k( 312) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024938 k( 313) = ( 0.0000000 0.5000000 0.2232143), wk = 0.0024938 k( 314) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0024938 k( 315) = ( 0.0000000 0.5000000 0.2410714), wk = 0.0024938 k( 316) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024938 k( 317) = ( 0.0000000 0.5000000 0.2589286), wk = 0.0024938 k( 318) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0024938 k( 319) = ( 0.0000000 0.5000000 0.2767857), wk = 0.0024938 k( 320) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024938 k( 321) = ( 0.0000000 0.5000000 0.2946429), wk = 0.0024938 k( 322) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0024938 k( 323) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0024938 k( 324) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024938 k( 325) = ( 0.0000000 0.5000000 0.3303571), wk = 0.0024938 k( 326) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0024938 k( 327) = ( 0.0000000 0.5000000 0.3482143), wk = 0.0024938 k( 328) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024938 k( 329) = ( 0.0000000 0.5000000 0.3660714), wk = 0.0024938 k( 330) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024938 k( 331) = ( 0.0000000 0.5000000 0.3839286), wk = 0.0024938 k( 332) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024938 k( 333) = ( 0.0000000 0.5000000 0.4017857), wk = 0.0024938 k( 334) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0024938 k( 335) = ( 0.0000000 0.5000000 0.4196429), wk = 0.0024938 k( 336) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024938 k( 337) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0024938 k( 338) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0024938 k( 339) = ( 0.0000000 0.5000000 0.4553571), wk = 0.0024938 k( 340) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024938 k( 341) = ( 0.0000000 0.5000000 0.4732143), wk = 0.0024938 k( 342) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0024938 k( 343) = ( 0.0000000 0.5000000 0.4910714), wk = 0.0024938 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024938 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024938 k( 346) = ( 0.5000000 0.5000000 0.0089286), wk = 0.0024938 k( 347) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0024938 k( 348) = ( 0.5000000 0.5000000 0.0267857), wk = 0.0024938 k( 349) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0024938 k( 350) = ( 0.5000000 0.5000000 0.0446429), wk = 0.0024938 k( 351) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0024938 k( 352) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0024938 k( 353) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0024938 k( 354) = ( 0.5000000 0.5000000 0.0803571), wk = 0.0024938 k( 355) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0024938 k( 356) = ( 0.5000000 0.5000000 0.0982143), wk = 0.0024938 k( 357) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0024938 k( 358) = ( 0.5000000 0.5000000 0.1160714), wk = 0.0024938 k( 359) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0024938 k( 360) = ( 0.5000000 0.5000000 0.1339286), wk = 0.0024938 k( 361) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0024938 k( 362) = ( 0.5000000 0.5000000 0.1517857), wk = 0.0024938 k( 363) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0024938 k( 364) = ( 0.5000000 0.5000000 0.1696429), wk = 0.0024938 k( 365) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0024938 k( 366) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0024938 k( 367) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0024938 k( 368) = ( 0.5000000 0.5000000 0.2053571), wk = 0.0024938 k( 369) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0024938 k( 370) = ( 0.5000000 0.5000000 0.2232143), wk = 0.0024938 k( 371) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0024938 k( 372) = ( 0.5000000 0.5000000 0.2410714), wk = 0.0024938 k( 373) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024938 k( 374) = ( 0.5000000 0.5000000 0.2589286), wk = 0.0024938 k( 375) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0024938 k( 376) = ( 0.5000000 0.5000000 0.2767857), wk = 0.0024938 k( 377) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0024938 k( 378) = ( 0.5000000 0.5000000 0.2946429), wk = 0.0024938 k( 379) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0024938 k( 380) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0024938 k( 381) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0024938 k( 382) = ( 0.5000000 0.5000000 0.3303571), wk = 0.0024938 k( 383) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0024938 k( 384) = ( 0.5000000 0.5000000 0.3482143), wk = 0.0024938 k( 385) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0024938 k( 386) = ( 0.5000000 0.5000000 0.3660714), wk = 0.0024938 k( 387) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0024938 k( 388) = ( 0.5000000 0.5000000 0.3839286), wk = 0.0024938 k( 389) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0024938 k( 390) = ( 0.5000000 0.5000000 0.4017857), wk = 0.0024938 k( 391) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0024938 k( 392) = ( 0.5000000 0.5000000 0.4196429), wk = 0.0024938 k( 393) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0024938 k( 394) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0024938 k( 395) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0024938 k( 396) = ( 0.5000000 0.5000000 0.4553571), wk = 0.0024938 k( 397) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0024938 k( 398) = ( 0.5000000 0.5000000 0.4732143), wk = 0.0024938 k( 399) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0024938 k( 400) = ( 0.5000000 0.5000000 0.4910714), wk = 0.0024938 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024938 Dense grid: 44007 G-vectors FFT dimensions: ( 54, 54, 32) Smooth grid: 21335 G-vectors FFT dimensions: ( 45, 45, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 168, 62) NL pseudopotentials 0.16 Mb ( 84, 124) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 1224) G-vector shells 0.00 Mb ( 604) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 168, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.23 Mb ( 124, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MoO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.7 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.0 secs Computing kpt #: 30 total cpu time spent up to now is 13.4 secs Computing kpt #: 31 total cpu time spent up to now is 13.9 secs Computing kpt #: 32 total cpu time spent up to now is 14.3 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.5 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.4 secs Computing kpt #: 40 total cpu time spent up to now is 17.8 secs Computing kpt #: 41 total cpu time spent up to now is 18.2 secs Computing kpt #: 42 total cpu time spent up to now is 18.7 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 19.5 secs Computing kpt #: 45 total cpu time spent up to now is 20.0 secs Computing kpt #: 46 total cpu time spent up to now is 20.4 secs Computing kpt #: 47 total cpu time spent up to now is 20.8 secs Computing kpt #: 48 total cpu time spent up to now is 21.2 secs Computing kpt #: 49 total cpu time spent up to now is 21.7 secs Computing kpt #: 50 total cpu time spent up to now is 22.1 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.9 secs Computing kpt #: 53 total cpu time spent up to now is 23.3 secs Computing kpt #: 54 total cpu time spent up to now is 23.7 secs Computing kpt #: 55 total cpu time spent up to now is 24.2 secs Computing kpt #: 56 total cpu time spent up to now is 24.6 secs Computing kpt #: 57 total cpu time spent up to now is 25.0 secs Computing kpt #: 58 total cpu time spent up to now is 25.4 secs Computing kpt #: 59 total cpu time spent up to now is 25.8 secs Computing kpt #: 60 total cpu time spent up to now is 26.2 secs Computing kpt #: 61 total cpu time spent up to now is 26.6 secs Computing kpt #: 62 total cpu time spent up to now is 27.0 secs Computing kpt #: 63 total cpu time spent up to now is 27.4 secs Computing kpt #: 64 total cpu time spent up to now is 27.8 secs Computing kpt #: 65 total cpu time spent up to now is 28.2 secs Computing kpt #: 66 total cpu time spent up to now is 28.6 secs Computing kpt #: 67 total cpu time spent up to now is 29.0 secs Computing kpt #: 68 total cpu time spent up to now is 29.4 secs Computing kpt #: 69 total cpu time spent up to now is 29.8 secs Computing kpt #: 70 total cpu time spent up to now is 30.3 secs Computing kpt #: 71 total cpu time spent up to now is 30.9 secs Computing kpt #: 72 total cpu time spent up to now is 31.5 secs Computing kpt #: 73 total cpu time spent up to now is 31.9 secs Computing kpt #: 74 total cpu time spent up to now is 32.4 secs Computing kpt #: 75 total cpu time spent up to now is 32.9 secs Computing kpt #: 76 total cpu time spent up to now is 33.4 secs Computing kpt #: 77 total cpu time spent up to now is 33.9 secs Computing kpt #: 78 total cpu time spent up to now is 34.3 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.3 secs Computing kpt #: 81 total cpu time spent up to now is 35.8 secs Computing kpt #: 82 total cpu time spent up to now is 36.2 secs Computing kpt #: 83 total cpu time spent up to now is 36.7 secs Computing kpt #: 84 total cpu time spent up to now is 37.1 secs Computing kpt #: 85 total cpu time spent up to now is 37.6 secs Computing kpt #: 86 total cpu time spent up to now is 38.0 secs Computing kpt #: 87 total cpu time spent up to now is 38.5 secs Computing kpt #: 88 total cpu time spent up to now is 38.9 secs Computing kpt #: 89 total cpu time spent up to now is 39.3 secs Computing kpt #: 90 total cpu time spent up to now is 39.8 secs Computing kpt #: 91 total cpu time spent up to now is 40.2 secs Computing kpt #: 92 total cpu time spent up to now is 40.6 secs Computing kpt #: 93 total cpu time spent up to now is 41.0 secs Computing kpt #: 94 total cpu time spent up to now is 41.5 secs Computing kpt #: 95 total cpu time spent up to now is 41.9 secs Computing kpt #: 96 total cpu time spent up to now is 42.3 secs Computing kpt #: 97 total cpu time spent up to now is 42.7 secs Computing kpt #: 98 total cpu time spent up to now is 43.1 secs Computing kpt #: 99 total cpu time spent up to now is 43.5 secs Computing kpt #: 100 total cpu time spent up to now is 43.9 secs Computing kpt #: 101 total cpu time spent up to now is 44.3 secs Computing kpt #: 102 total cpu time spent up to now is 44.7 secs Computing kpt #: 103 total cpu time spent up to now is 45.0 secs Computing kpt #: 104 total cpu time spent up to now is 45.4 secs Computing kpt #: 105 total cpu time spent up to now is 45.8 secs Computing kpt #: 106 total cpu time spent up to now is 46.2 secs Computing kpt #: 107 total cpu time spent up to now is 46.6 secs Computing kpt #: 108 total cpu time spent up to now is 47.0 secs Computing kpt #: 109 total cpu time spent up to now is 47.3 secs Computing kpt #: 110 total cpu time spent up to now is 47.7 secs Computing kpt #: 111 total cpu time spent up to now is 48.1 secs Computing kpt #: 112 total cpu time spent up to now is 48.5 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.2 secs Computing kpt #: 115 total cpu time spent up to now is 49.6 secs Computing kpt #: 116 total cpu time spent up to now is 49.9 secs Computing kpt #: 117 total cpu time spent up to now is 50.3 secs Computing kpt #: 118 total cpu time spent up to now is 50.7 secs Computing kpt #: 119 total cpu time spent up to now is 51.1 secs Computing kpt #: 120 total cpu time spent up to now is 51.4 secs Computing kpt #: 121 total cpu time spent up to now is 51.8 secs Computing kpt #: 122 total cpu time spent up to now is 52.2 secs Computing kpt #: 123 total cpu time spent up to now is 52.6 secs Computing kpt #: 124 total cpu time spent up to now is 53.0 secs Computing kpt #: 125 total cpu time spent up to now is 53.4 secs Computing kpt #: 126 total cpu time spent up to now is 53.7 secs Computing kpt #: 127 total cpu time spent up to now is 54.1 secs Computing kpt #: 128 total cpu time spent up to now is 54.5 secs Computing kpt #: 129 total cpu time spent up to now is 54.9 secs Computing kpt #: 130 total cpu time spent up to now is 55.3 secs Computing kpt #: 131 total cpu time spent up to now is 55.7 secs Computing kpt #: 132 total cpu time spent up to now is 56.1 secs Computing kpt #: 133 total cpu time spent up to now is 56.5 secs Computing kpt #: 134 total cpu time spent up to now is 56.9 secs Computing kpt #: 135 total cpu time spent up to now is 57.3 secs Computing kpt #: 136 total cpu time spent up to now is 57.7 secs Computing kpt #: 137 total cpu time spent up to now is 58.1 secs Computing kpt #: 138 total cpu time spent up to now is 58.5 secs Computing kpt #: 139 total cpu time spent up to now is 58.9 secs Computing kpt #: 140 total cpu time spent up to now is 59.3 secs Computing kpt #: 141 total cpu time spent up to now is 59.7 secs Computing kpt #: 142 total cpu time spent up to now is 60.1 secs Computing kpt #: 143 total cpu time spent up to now is 60.5 secs Computing kpt #: 144 total cpu time spent up to now is 61.0 secs Computing kpt #: 145 total cpu time spent up to now is 61.4 secs Computing kpt #: 146 total cpu time spent up to now is 61.8 secs Computing kpt #: 147 total cpu time spent up to now is 62.3 secs Computing kpt #: 148 total cpu time spent up to now is 62.7 secs Computing kpt #: 149 total cpu time spent up to now is 63.1 secs Computing kpt #: 150 total cpu time spent up to now is 63.6 secs Computing kpt #: 151 total cpu time spent up to now is 64.0 secs Computing kpt #: 152 total cpu time spent up to now is 64.5 secs Computing kpt #: 153 total cpu time spent up to now is 64.9 secs Computing kpt #: 154 total cpu time spent up to now is 65.3 secs Computing kpt #: 155 total cpu time spent up to now is 65.8 secs Computing kpt #: 156 total cpu time spent up to now is 66.3 secs Computing kpt #: 157 total cpu time spent up to now is 66.7 secs Computing kpt #: 158 total cpu time spent up to now is 67.2 secs Computing kpt #: 159 total cpu time spent up to now is 67.6 secs Computing kpt #: 160 total cpu time spent up to now is 68.1 secs Computing kpt #: 161 total cpu time spent up to now is 68.6 secs Computing kpt #: 162 total cpu time spent up to now is 69.1 secs Computing kpt #: 163 total cpu time spent up to now is 69.5 secs Computing kpt #: 164 total cpu time spent up to now is 70.0 secs Computing kpt #: 165 total cpu time spent up to now is 70.6 secs Computing kpt #: 166 total cpu time spent up to now is 71.1 secs Computing kpt #: 167 total cpu time spent up to now is 71.6 secs Computing kpt #: 168 total cpu time spent up to now is 72.1 secs Computing kpt #: 169 total cpu time spent up to now is 72.6 secs Computing kpt #: 170 total cpu time spent up to now is 73.1 secs Computing kpt #: 171 total cpu time spent up to now is 73.6 secs Computing kpt #: 172 total cpu time spent up to now is 74.1 secs Computing kpt #: 173 total cpu time spent up to now is 74.5 secs Computing kpt #: 174 total cpu time spent up to now is 75.0 secs Computing kpt #: 175 total cpu time spent up to now is 75.5 secs Computing kpt #: 176 total cpu time spent up to now is 76.0 secs Computing kpt #: 177 total cpu time spent up to now is 76.5 secs Computing kpt #: 178 total cpu time spent up to now is 77.0 secs Computing kpt #: 179 total cpu time spent up to now is 77.5 secs Computing kpt #: 180 total cpu time spent up to now is 78.0 secs Computing kpt #: 181 total cpu time spent up to now is 78.5 secs Computing kpt #: 182 total cpu time spent up to now is 79.0 secs Computing kpt #: 183 total cpu time spent up to now is 79.5 secs Computing kpt #: 184 total cpu time spent up to now is 80.1 secs Computing kpt #: 185 total cpu time spent up to now is 80.6 secs Computing kpt #: 186 total cpu time spent up to now is 81.1 secs Computing kpt #: 187 total cpu time spent up to now is 81.6 secs Computing kpt #: 188 total cpu time spent up to now is 82.1 secs Computing kpt #: 189 total cpu time spent up to now is 82.6 secs Computing kpt #: 190 total cpu time spent up to now is 83.1 secs Computing kpt #: 191 total cpu time spent up to now is 83.6 secs Computing kpt #: 192 total cpu time spent up to now is 84.1 secs Computing kpt #: 193 total cpu time spent up to now is 84.6 secs Computing kpt #: 194 total cpu time spent up to now is 85.1 secs Computing kpt #: 195 total cpu time spent up to now is 85.6 secs Computing kpt #: 196 total cpu time spent up to now is 86.1 secs Computing kpt #: 197 total cpu time spent up to now is 86.6 secs Computing kpt #: 198 total cpu time spent up to now is 87.1 secs Computing kpt #: 199 total cpu time spent up to now is 87.6 secs Computing kpt #: 200 total cpu time spent up to now is 88.0 secs Computing kpt #: 201 total cpu time spent up to now is 88.5 secs Computing kpt #: 202 total cpu time spent up to now is 89.0 secs Computing kpt #: 203 total cpu time spent up to now is 89.5 secs Computing kpt #: 204 total cpu time spent up to now is 90.0 secs Computing kpt #: 205 total cpu time spent up to now is 90.4 secs Computing kpt #: 206 total cpu time spent up to now is 90.9 secs Computing kpt #: 207 total cpu time spent up to now is 91.4 secs Computing kpt #: 208 total cpu time spent up to now is 91.9 secs Computing kpt #: 209 total cpu time spent up to now is 92.3 secs Computing kpt #: 210 total cpu time spent up to now is 92.8 secs Computing kpt #: 211 total cpu time spent up to now is 93.3 secs Computing kpt #: 212 total cpu time spent up to now is 93.8 secs Computing kpt #: 213 total cpu time spent up to now is 94.3 secs Computing kpt #: 214 total cpu time spent up to now is 94.8 secs Computing kpt #: 215 total cpu time spent up to now is 95.3 secs Computing kpt #: 216 total cpu time spent up to now is 95.8 secs Computing kpt #: 217 total cpu time spent up to now is 96.3 secs Computing kpt #: 218 total cpu time spent up to now is 96.8 secs Computing kpt #: 219 total cpu time spent up to now is 97.3 secs Computing kpt #: 220 total cpu time spent up to now is 97.8 secs Computing kpt #: 221 total cpu time spent up to now is 98.3 secs Computing kpt #: 222 total cpu time spent up to now is 98.8 secs Computing kpt #: 223 total cpu time spent up to now is 99.3 secs Computing kpt #: 224 total cpu time spent up to now is 99.8 secs Computing kpt #: 225 total cpu time spent up to now is 100.3 secs Computing kpt #: 226 total cpu time spent up to now is 100.8 secs Computing kpt #: 227 total cpu time spent up to now is 101.4 secs Computing kpt #: 228 total cpu time spent up to now is 101.9 secs Computing kpt #: 229 total cpu time spent up to now is 102.4 secs Computing kpt #: 230 total cpu time spent up to now is 102.9 secs Computing kpt #: 231 total cpu time spent up to now is 103.4 secs Computing kpt #: 232 total cpu time spent up to now is 103.9 secs Computing kpt #: 233 total cpu time spent up to now is 104.4 secs Computing kpt #: 234 total cpu time spent up to now is 105.0 secs Computing kpt #: 235 total cpu time spent up to now is 105.5 secs Computing kpt #: 236 total cpu time spent up to now is 106.0 secs Computing kpt #: 237 total cpu time spent up to now is 106.5 secs Computing kpt #: 238 total cpu time spent up to now is 107.0 secs Computing kpt #: 239 total cpu time spent up to now is 107.6 secs Computing kpt #: 240 total cpu time spent up to now is 108.0 secs Computing kpt #: 241 total cpu time spent up to now is 108.4 secs Computing kpt #: 242 total cpu time spent up to now is 108.9 secs Computing kpt #: 243 total cpu time spent up to now is 109.4 secs Computing kpt #: 244 total cpu time spent up to now is 109.9 secs Computing kpt #: 245 total cpu time spent up to now is 110.4 secs Computing kpt #: 246 total cpu time spent up to now is 110.8 secs Computing kpt #: 247 total cpu time spent up to now is 111.3 secs Computing kpt #: 248 total cpu time spent up to now is 111.8 secs Computing kpt #: 249 total cpu time spent up to now is 112.2 secs Computing kpt #: 250 total cpu time spent up to now is 112.7 secs Computing kpt #: 251 total cpu time spent up to now is 113.1 secs Computing kpt #: 252 total cpu time spent up to now is 113.6 secs Computing kpt #: 253 total cpu time spent up to now is 114.0 secs Computing kpt #: 254 total cpu time spent up to now is 114.5 secs Computing kpt #: 255 total cpu time spent up to now is 114.9 secs Computing kpt #: 256 total cpu time spent up to now is 115.3 secs Computing kpt #: 257 total cpu time spent up to now is 115.7 secs Computing kpt #: 258 total cpu time spent up to now is 116.2 secs Computing kpt #: 259 total cpu time spent up to now is 116.6 secs Computing kpt #: 260 total cpu time spent up to now is 117.0 secs Computing kpt #: 261 total cpu time spent up to now is 117.4 secs Computing kpt #: 262 total cpu time spent up to now is 117.8 secs Computing kpt #: 263 total cpu time spent up to now is 118.3 secs Computing kpt #: 264 total cpu time spent up to now is 118.7 secs Computing kpt #: 265 total cpu time spent up to now is 119.1 secs Computing kpt #: 266 total cpu time spent up to now is 119.5 secs Computing kpt #: 267 total cpu time spent up to now is 120.0 secs Computing kpt #: 268 total cpu time spent up to now is 120.4 secs Computing kpt #: 269 total cpu time spent up to now is 120.8 secs Computing kpt #: 270 total cpu time spent up to now is 121.2 secs Computing kpt #: 271 total cpu time spent up to now is 121.7 secs Computing kpt #: 272 total cpu time spent up to now is 122.1 secs Computing kpt #: 273 total cpu time spent up to now is 122.5 secs Computing kpt #: 274 total cpu time spent up to now is 123.0 secs Computing kpt #: 275 total cpu time spent up to now is 123.4 secs Computing kpt #: 276 total cpu time spent up to now is 123.8 secs Computing kpt #: 277 total cpu time spent up to now is 124.3 secs Computing kpt #: 278 total cpu time spent up to now is 124.7 secs Computing kpt #: 279 total cpu time spent up to now is 125.2 secs Computing kpt #: 280 total cpu time spent up to now is 125.7 secs Computing kpt #: 281 total cpu time spent up to now is 126.1 secs Computing kpt #: 282 total cpu time spent up to now is 126.6 secs Computing kpt #: 283 total cpu time spent up to now is 127.1 secs Computing kpt #: 284 total cpu time spent up to now is 127.6 secs Computing kpt #: 285 total cpu time spent up to now is 128.1 secs Computing kpt #: 286 total cpu time spent up to now is 128.5 secs Computing kpt #: 287 total cpu time spent up to now is 129.0 secs Computing kpt #: 288 total cpu time spent up to now is 129.4 secs Computing kpt #: 289 total cpu time spent up to now is 129.9 secs Computing kpt #: 290 total cpu time spent up to now is 130.4 secs Computing kpt #: 291 total cpu time spent up to now is 130.9 secs Computing kpt #: 292 total cpu time spent up to now is 131.5 secs Computing kpt #: 293 total cpu time spent up to now is 132.0 secs Computing kpt #: 294 total cpu time spent up to now is 132.5 secs Computing kpt #: 295 total cpu time spent up to now is 132.9 secs Computing kpt #: 296 total cpu time spent up to now is 133.5 secs Computing kpt #: 297 total cpu time spent up to now is 134.0 secs Computing kpt #: 298 total cpu time spent up to now is 134.5 secs Computing kpt #: 299 total cpu time spent up to now is 135.0 secs Computing kpt #: 300 total cpu time spent up to now is 135.5 secs Computing kpt #: 301 total cpu time spent up to now is 136.0 secs Computing kpt #: 302 total cpu time spent up to now is 136.5 secs Computing kpt #: 303 total cpu time spent up to now is 137.0 secs Computing kpt #: 304 total cpu time spent up to now is 137.5 secs Computing kpt #: 305 total cpu time spent up to now is 138.0 secs Computing kpt #: 306 total cpu time spent up to now is 138.5 secs Computing kpt #: 307 total cpu time spent up to now is 139.0 secs Computing kpt #: 308 total cpu time spent up to now is 139.5 secs Computing kpt #: 309 total cpu time spent up to now is 140.0 secs Computing kpt #: 310 total cpu time spent up to now is 140.6 secs Computing kpt #: 311 total cpu time spent up to now is 141.0 secs Computing kpt #: 312 total cpu time spent up to now is 141.5 secs Computing kpt #: 313 total cpu time spent up to now is 142.0 secs Computing kpt #: 314 total cpu time spent up to now is 142.5 secs Computing kpt #: 315 total cpu time spent up to now is 143.0 secs Computing kpt #: 316 total cpu time spent up to now is 143.5 secs Computing kpt #: 317 total cpu time spent up to now is 144.0 secs Computing kpt #: 318 total cpu time spent up to now is 144.5 secs Computing kpt #: 319 total cpu time spent up to now is 145.0 secs Computing kpt #: 320 total cpu time spent up to now is 145.5 secs Computing kpt #: 321 total cpu time spent up to now is 146.0 secs Computing kpt #: 322 total cpu time spent up to now is 146.6 secs Computing kpt #: 323 total cpu time spent up to now is 147.1 secs Computing kpt #: 324 total cpu time spent up to now is 147.6 secs Computing kpt #: 325 total cpu time spent up to now is 148.1 secs Computing kpt #: 326 total cpu time spent up to now is 148.6 secs Computing kpt #: 327 total cpu time spent up to now is 149.1 secs Computing kpt #: 328 total cpu time spent up to now is 149.6 secs Computing kpt #: 329 total cpu time spent up to now is 150.1 secs Computing kpt #: 330 total cpu time spent up to now is 150.5 secs Computing kpt #: 331 total cpu time spent up to now is 151.0 secs Computing kpt #: 332 total cpu time spent up to now is 151.5 secs Computing kpt #: 333 total cpu time spent up to now is 152.0 secs Computing kpt #: 334 total cpu time spent up to now is 152.5 secs Computing kpt #: 335 total cpu time spent up to now is 153.0 secs Computing kpt #: 336 total cpu time spent up to now is 153.5 secs Computing kpt #: 337 total cpu time spent up to now is 154.0 secs Computing kpt #: 338 total cpu time spent up to now is 154.4 secs Computing kpt #: 339 total cpu time spent up to now is 154.9 secs Computing kpt #: 340 total cpu time spent up to now is 155.4 secs Computing kpt #: 341 total cpu time spent up to now is 155.9 secs Computing kpt #: 342 total cpu time spent up to now is 156.4 secs Computing kpt #: 343 total cpu time spent up to now is 156.9 secs Computing kpt #: 344 total cpu time spent up to now is 157.3 secs Computing kpt #: 345 total cpu time spent up to now is 157.7 secs Computing kpt #: 346 total cpu time spent up to now is 158.1 secs Computing kpt #: 347 total cpu time spent up to now is 158.5 secs Computing kpt #: 348 total cpu time spent up to now is 158.9 secs Computing kpt #: 349 total cpu time spent up to now is 159.3 secs Computing kpt #: 350 total cpu time spent up to now is 159.7 secs Computing kpt #: 351 total cpu time spent up to now is 160.1 secs Computing kpt #: 352 total cpu time spent up to now is 160.5 secs Computing kpt #: 353 total cpu time spent up to now is 160.9 secs Computing kpt #: 354 total cpu time spent up to now is 161.3 secs Computing kpt #: 355 total cpu time spent up to now is 161.8 secs Computing kpt #: 356 total cpu time spent up to now is 162.2 secs Computing kpt #: 357 total cpu time spent up to now is 162.6 secs Computing kpt #: 358 total cpu time spent up to now is 163.0 secs Computing kpt #: 359 total cpu time spent up to now is 163.4 secs Computing kpt #: 360 total cpu time spent up to now is 163.8 secs Computing kpt #: 361 total cpu time spent up to now is 164.3 secs Computing kpt #: 362 total cpu time spent up to now is 164.7 secs Computing kpt #: 363 total cpu time spent up to now is 165.1 secs Computing kpt #: 364 total cpu time spent up to now is 165.6 secs Computing kpt #: 365 total cpu time spent up to now is 166.0 secs Computing kpt #: 366 total cpu time spent up to now is 166.5 secs Computing kpt #: 367 total cpu time spent up to now is 166.9 secs Computing kpt #: 368 total cpu time spent up to now is 167.4 secs Computing kpt #: 369 total cpu time spent up to now is 167.8 secs Computing kpt #: 370 total cpu time spent up to now is 168.3 secs Computing kpt #: 371 total cpu time spent up to now is 168.7 secs Computing kpt #: 372 total cpu time spent up to now is 169.2 secs Computing kpt #: 373 total cpu time spent up to now is 169.7 secs Computing kpt #: 374 total cpu time spent up to now is 170.1 secs Computing kpt #: 375 total cpu time spent up to now is 170.6 secs Computing kpt #: 376 total cpu time spent up to now is 171.0 secs Computing kpt #: 377 total cpu time spent up to now is 171.5 secs Computing kpt #: 378 total cpu time spent up to now is 172.0 secs Computing kpt #: 379 total cpu time spent up to now is 172.4 secs Computing kpt #: 380 total cpu time spent up to now is 172.9 secs Computing kpt #: 381 total cpu time spent up to now is 173.3 secs Computing kpt #: 382 total cpu time spent up to now is 173.8 secs Computing kpt #: 383 total cpu time spent up to now is 174.2 secs Computing kpt #: 384 total cpu time spent up to now is 174.7 secs Computing kpt #: 385 total cpu time spent up to now is 175.1 secs Computing kpt #: 386 total cpu time spent up to now is 175.6 secs Computing kpt #: 387 total cpu time spent up to now is 176.0 secs Computing kpt #: 388 total cpu time spent up to now is 176.5 secs Computing kpt #: 389 total cpu time spent up to now is 176.9 secs Computing kpt #: 390 total cpu time spent up to now is 177.3 secs Computing kpt #: 391 total cpu time spent up to now is 177.8 secs Computing kpt #: 392 total cpu time spent up to now is 178.2 secs Computing kpt #: 393 total cpu time spent up to now is 178.7 secs Computing kpt #: 394 total cpu time spent up to now is 179.1 secs Computing kpt #: 395 total cpu time spent up to now is 179.5 secs Computing kpt #: 396 total cpu time spent up to now is 180.0 secs Computing kpt #: 397 total cpu time spent up to now is 180.4 secs Computing kpt #: 398 total cpu time spent up to now is 180.8 secs Computing kpt #: 399 total cpu time spent up to now is 181.3 secs Computing kpt #: 400 total cpu time spent up to now is 181.7 secs Computing kpt #: 401 total cpu time spent up to now is 182.1 secs ethr = 1.92E-08, avg # of iterations = 16.1 total cpu time spent up to now is 182.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2631 PWs) bands (ev): -48.7991 -48.7991 -48.7855 -48.7855 -24.6113 -24.6113 -24.5104 -24.5104 -22.2670 -22.2670 -22.0742 -22.0742 -22.0321 -22.0321 -21.9515 -21.9515 -7.2177 -7.2177 -6.4938 -6.4938 -5.4168 -5.4168 -5.3040 -5.3040 4.6139 4.6139 4.7642 4.7642 5.6652 5.6652 6.8172 6.8172 6.8291 6.8291 8.1907 8.1907 8.2756 8.2756 9.5179 9.5179 9.9667 9.9667 10.0003 10.0003 10.2260 10.2260 10.3443 10.3443 12.0092 12.0092 12.1358 12.1358 13.6130 13.6130 13.7870 13.7870 13.8290 13.8290 16.0533 16.0533 16.5363 16.5363 k = 0.0000 0.0152-0.0000 ( 2625 PWs) bands (ev): -48.7990 -48.7990 -48.7854 -48.7854 -24.6112 -24.6112 -24.5105 -24.5105 -22.2669 -22.2669 -22.0743 -22.0743 -22.0320 -22.0320 -21.9515 -21.9515 -7.2169 -7.2169 -6.4936 -6.4936 -5.4174 -5.4174 -5.3047 -5.3047 4.6152 4.6152 4.7657 4.7657 5.6666 5.6666 6.8173 6.8173 6.8292 6.8292 8.1890 8.1890 8.2739 8.2739 9.5177 9.5177 9.9620 9.9620 9.9955 9.9955 10.2247 10.2247 10.3462 10.3462 12.0116 12.0116 12.1392 12.1392 13.6151 13.6151 13.7883 13.7883 13.8302 13.8302 16.0548 16.0548 16.5345 16.5345 k = 0.0000 0.0303-0.0000 ( 2627 PWs) bands (ev): -48.7990 -48.7990 -48.7855 -48.7855 -24.6111 -24.6111 -24.5106 -24.5106 -22.2666 -22.2666 -22.0746 -22.0746 -22.0319 -22.0319 -21.9517 -21.9517 -7.2148 -7.2148 -6.4930 -6.4930 -5.4192 -5.4192 -5.3068 -5.3068 4.6192 4.6192 4.7700 4.7700 5.6709 5.6709 6.8178 6.8178 6.8297 6.8297 8.1839 8.1839 8.2688 8.2688 9.5168 9.5168 9.9463 9.9463 9.9832 9.9832 10.2208 10.2208 10.3515 10.3515 12.0188 12.0188 12.1493 12.1493 13.6215 13.6215 13.7922 13.7922 13.8339 13.8339 16.0594 16.0594 16.5294 16.5294 k = 0.0000 0.0455-0.0000 ( 2631 PWs) bands (ev): -48.7989 -48.7989 -48.7857 -48.7857 -24.6109 -24.6109 -24.5109 -24.5109 -22.2661 -22.2661 -22.0752 -22.0752 -22.0317 -22.0317 -21.9519 -21.9519 -7.2111 -7.2111 -6.4920 -6.4920 -5.4222 -5.4222 -5.3103 -5.3103 4.6258 4.6258 4.7772 4.7772 5.6780 5.6780 6.8186 6.8186 6.8304 6.8304 8.1754 8.1754 8.2604 8.2604 9.5154 9.5154 9.9177 9.9177 9.9674 9.9674 10.2144 10.2144 10.3586 10.3586 12.0306 12.0306 12.1659 12.1659 13.6321 13.6321 13.7987 13.7987 13.8399 13.8399 16.0670 16.0670 16.5208 16.5208 k = 0.0000 0.0606-0.0000 ( 2631 PWs) bands (ev): -48.7988 -48.7988 -48.7858 -48.7858 -24.6105 -24.6105 -24.5113 -24.5113 -22.2654 -22.2654 -22.0760 -22.0760 -22.0314 -22.0314 -21.9522 -21.9522 -7.2061 -7.2061 -6.4906 -6.4906 -5.4264 -5.4264 -5.3151 -5.3151 4.6351 4.6351 4.7873 4.7873 5.6880 5.6880 6.8196 6.8196 6.8314 6.8314 8.1634 8.1634 8.2489 8.2489 9.5134 9.5134 9.8770 9.8770 9.9494 9.9494 10.2056 10.2056 10.3661 10.3661 12.0467 12.0467 12.1883 12.1883 13.6467 13.6467 13.8077 13.8077 13.8483 13.8483 16.0776 16.0776 16.5089 16.5089 k = 0.0000 0.0758-0.0000 ( 2631 PWs) bands (ev): -48.7987 -48.7987 -48.7859 -48.7859 -24.6100 -24.6100 -24.5118 -24.5118 -22.2645 -22.2645 -22.0770 -22.0770 -22.0310 -22.0310 -21.9527 -21.9527 -7.1996 -7.1996 -6.4888 -6.4888 -5.4317 -5.4317 -5.3212 -5.3212 4.6469 4.6469 4.8001 4.8001 5.7008 5.7008 6.8210 6.8210 6.8326 6.8326 8.1478 8.1478 8.2342 8.2342 9.5110 9.5110 9.8266 9.8266 9.9292 9.9292 10.1946 10.1946 10.3728 10.3728 12.0669 12.0669 12.2161 12.2161 13.6652 13.6652 13.8192 13.8192 13.8590 13.8590 16.0913 16.0913 16.4938 16.4938 k = 0.0000 0.0909-0.0000 ( 2633 PWs) bands (ev): -48.7987 -48.7987 -48.7860 -48.7860 -24.6094 -24.6094 -24.5125 -24.5125 -22.2633 -22.2633 -22.0783 -22.0783 -22.0305 -22.0305 -21.9532 -21.9532 -7.1916 -7.1916 -6.4868 -6.4868 -5.4382 -5.4382 -5.3285 -5.3285 4.6613 4.6613 4.8156 4.8156 5.7165 5.7165 6.8226 6.8226 6.8342 6.8342 8.1286 8.1286 8.2166 8.2166 9.5081 9.5081 9.7683 9.7683 9.9069 9.9069 10.1815 10.1815 10.3779 10.3779 12.0907 12.0907 12.2485 12.2485 13.6874 13.6874 13.8329 13.8329 13.8719 13.8719 16.1081 16.1081 16.4754 16.4754 k = 0.0000 0.1061-0.0000 ( 2633 PWs) bands (ev): -48.7986 -48.7986 -48.7861 -48.7861 -24.6087 -24.6087 -24.5132 -24.5132 -22.2620 -22.2620 -22.0797 -22.0797 -22.0300 -22.0300 -21.9538 -21.9538 -7.1823 -7.1823 -6.4844 -6.4844 -5.4459 -5.4459 -5.3369 -5.3369 4.6782 4.6782 4.8338 4.8338 5.7351 5.7351 6.8245 6.8245 6.8360 6.8360 8.1058 8.1058 8.1960 8.1960 9.5049 9.5049 9.7033 9.7033 9.8830 9.8830 10.1663 10.1663 10.3809 10.3809 12.1178 12.1178 12.2849 12.2849 13.7131 13.7131 13.8489 13.8489 13.8870 13.8870 16.1280 16.1280 16.4540 16.4540 k = 0.0000 0.1212-0.0000 ( 2627 PWs) bands (ev): -48.7983 -48.7983 -48.7862 -48.7862 -24.6079 -24.6079 -24.5140 -24.5140 -22.2605 -22.2605 -22.0813 -22.0813 -22.0293 -22.0293 -21.9545 -21.9545 -7.1717 -7.1717 -6.4818 -6.4818 -5.4546 -5.4546 -5.3465 -5.3465 4.6976 4.6976 4.8544 4.8544 5.7566 5.7566 6.8267 6.8267 6.8380 6.8380 8.0794 8.0794 8.1726 8.1726 9.5013 9.5013 9.6327 9.6327 9.8583 9.8583 10.1492 10.1492 10.3815 10.3815 12.1477 12.1477 12.3244 12.3244 13.7420 13.7420 13.8671 13.8671 13.9040 13.9040 16.1509 16.1509 16.4298 16.4298 k = 0.0000 0.1364-0.0000 ( 2623 PWs) bands (ev): -48.7981 -48.7981 -48.7863 -48.7863 -24.6069 -24.6069 -24.5150 -24.5150 -22.2587 -22.2587 -22.0832 -22.0832 -22.0286 -22.0286 -21.9553 -21.9553 -7.1597 -7.1597 -6.4790 -6.4790 -5.4644 -5.4644 -5.3570 -5.3570 4.7193 4.7193 4.8775 4.8775 5.7810 5.7810 6.8290 6.8290 6.8403 6.8403 8.0498 8.0498 8.1463 8.1463 9.4974 9.4974 9.5572 9.5572 9.8334 9.8334 10.1304 10.1304 10.3797 10.3797 12.1800 12.1800 12.3662 12.3662 13.7737 13.7737 13.8873 13.8873 13.9230 13.9230 16.1765 16.1765 16.4032 16.4032 k = 0.0000 0.1515-0.0000 ( 2637 PWs) bands (ev): -48.7980 -48.7980 -48.7868 -48.7868 -24.6060 -24.6060 -24.5160 -24.5160 -22.2570 -22.2570 -22.0853 -22.0853 -22.0279 -22.0279 -21.9561 -21.9561 -7.1463 -7.1463 -6.4760 -6.4760 -5.4753 -5.4753 -5.3685 -5.3685 4.7434 4.7434 4.9027 4.9027 5.8083 5.8083 6.8316 6.8316 6.8428 6.8428 8.0170 8.0170 8.1171 8.1171 9.4771 9.4771 9.4938 9.4938 9.8090 9.8090 10.1100 10.1100 10.3755 10.3755 12.2142 12.2142 12.4098 12.4098 13.8078 13.8078 13.9098 13.9098 13.9438 13.9438 16.2042 16.2042 16.3750 16.3750 k = 0.0000 0.1667-0.0000 ( 2635 PWs) bands (ev): -48.7978 -48.7978 -48.7869 -48.7869 -24.6049 -24.6049 -24.5172 -24.5172 -22.2548 -22.2548 -22.0876 -22.0876 -22.0270 -22.0270 -21.9571 -21.9571 -7.1317 -7.1317 -6.4730 -6.4730 -5.4871 -5.4871 -5.3807 -5.3807 4.7696 4.7696 4.9301 4.9301 5.8385 5.8385 6.8343 6.8343 6.8454 6.8454 7.9813 7.9813 8.0850 8.0850 9.3937 9.3937 9.4895 9.4895 9.7858 9.7858 10.0883 10.0883 10.3689 10.3689 12.2501 12.2501 12.4543 12.4543 13.8436 13.8436 13.9345 13.9345 13.9662 13.9662 16.2316 16.2316 16.3479 16.3479 k = 0.0000 0.1818-0.0000 ( 2635 PWs) bands (ev): -48.7977 -48.7977 -48.7870 -48.7870 -24.6036 -24.6036 -24.5185 -24.5185 -22.2525 -22.2525 -22.0901 -22.0901 -22.0260 -22.0260 -21.9581 -21.9581 -7.1159 -7.1159 -6.4700 -6.4700 -5.4997 -5.4997 -5.3937 -5.3937 4.7980 4.7980 4.9594 4.9594 5.8717 5.8717 6.8372 6.8372 6.8483 6.8483 7.9431 7.9431 8.0499 8.0499 9.3068 9.3068 9.4855 9.4855 9.7643 9.7643 10.0652 10.0652 10.3601 10.3601 12.2873 12.2873 12.4991 12.4991 13.8804 13.8804 13.9617 13.9617 13.9902 13.9902 16.2482 16.2482 16.3324 16.3324 k = 0.0000 0.1970-0.0000 ( 2643 PWs) bands (ev): -48.7975 -48.7975 -48.7874 -48.7874 -24.6024 -24.6024 -24.5198 -24.5198 -22.2501 -22.2501 -22.0928 -22.0928 -22.0251 -22.0251 -21.9593 -21.9593 -7.0989 -7.0989 -6.4671 -6.4671 -5.5132 -5.5132 -5.4072 -5.4072 4.8283 4.8283 4.9904 4.9904 5.9079 5.9079 6.8403 6.8403 6.8513 6.8513 7.9027 7.9027 8.0120 8.0120 9.2169 9.2169 9.4816 9.4816 9.7449 9.7449 10.0411 10.0411 10.3491 10.3491 12.3253 12.3253 12.5437 12.5437 13.9170 13.9170 13.9919 13.9919 14.0159 14.0159 16.2351 16.2351 16.3476 16.3476 k = 0.0000 0.2121-0.0000 ( 2643 PWs) bands (ev): -48.7973 -48.7973 -48.7876 -48.7876 -24.6009 -24.6009 -24.5213 -24.5213 -22.2475 -22.2475 -22.0956 -22.0956 -22.0240 -22.0240 -21.9605 -21.9605 -7.0807 -7.0807 -6.4643 -6.4643 -5.5273 -5.5273 -5.4213 -5.4213 4.8606 4.8606 5.0229 5.0229 5.9470 5.9470 6.8435 6.8435 6.8544 6.8544 7.8605 7.8605 7.9713 7.9713 9.1246 9.1246 9.4779 9.4779 9.7280 9.7280 10.0160 10.0160 10.3361 10.3361 12.3640 12.3640 12.5875 12.5875 13.9524 13.9524 14.0243 14.0243 14.0444 14.0444 16.2020 16.2020 16.3841 16.3841 k = 0.0000 0.2273-0.0000 ( 2647 PWs) bands (ev): -48.7971 -48.7971 -48.7878 -48.7878 -24.5995 -24.5995 -24.5229 -24.5229 -22.2447 -22.2447 -22.0987 -22.0987 -22.0228 -22.0228 -21.9617 -21.9617 -7.0614 -7.0614 -6.4619 -6.4619 -5.5419 -5.5419 -5.4358 -5.4358 4.8945 4.8945 5.0567 5.0567 5.9891 5.9891 6.8467 6.8467 6.8575 6.8575 7.8166 7.8166 7.9281 7.9281 9.0301 9.0301 9.4745 9.4745 9.7139 9.7139 9.9902 9.9902 10.3212 10.3212 12.4029 12.4029 12.6300 12.6300 13.9858 13.9858 14.0559 14.0559 14.0790 14.0790 16.1615 16.1615 16.4294 16.4294 k = 0.0000 0.2424-0.0000 ( 2643 PWs) bands (ev): -48.7968 -48.7968 -48.7880 -48.7880 -24.5979 -24.5979 -24.5245 -24.5245 -22.2417 -22.2417 -22.1018 -22.1018 -22.0216 -22.0216 -21.9631 -21.9631 -7.0410 -7.0410 -6.4600 -6.4600 -5.5568 -5.5568 -5.4506 -5.4506 4.9300 4.9300 5.0915 5.0915 6.0343 6.0343 6.8500 6.8500 6.8608 6.8608 7.7716 7.7716 7.8826 7.8826 8.9337 8.9337 9.4715 9.4715 9.7028 9.7028 9.9639 9.9639 10.3047 10.3047 12.4420 12.4420 12.6709 12.6709 14.0172 14.0172 14.0847 14.0847 14.1210 14.1210 16.1171 16.1171 16.4801 16.4801 k = 0.0000 0.2576-0.0000 ( 2643 PWs) bands (ev): -48.7966 -48.7966 -48.7883 -48.7883 -24.5962 -24.5962 -24.5262 -24.5262 -22.2385 -22.2385 -22.1052 -22.1052 -22.0203 -22.0203 -21.9645 -21.9645 -7.0197 -7.0197 -6.4586 -6.4586 -5.5719 -5.5719 -5.4657 -5.4657 4.9669 4.9669 5.1270 5.1270 6.0824 6.0824 6.8534 6.8534 6.8640 6.8640 7.7257 7.7257 7.8352 7.8352 8.8358 8.8358 9.4690 9.4690 9.6946 9.6946 9.9371 9.9371 10.2865 10.2865 12.4808 12.4808 12.7098 12.7098 14.0471 14.0471 14.1119 14.1119 14.1682 14.1682 16.0699 16.0699 16.5352 16.5352 k = 0.0000 0.2727-0.0000 ( 2641 PWs) bands (ev): -48.7965 -48.7965 -48.7883 -48.7883 -24.5944 -24.5944 -24.5280 -24.5280 -22.2352 -22.2352 -22.1087 -22.1087 -22.0189 -22.0189 -21.9660 -21.9660 -6.9975 -6.9975 -6.4579 -6.4579 -5.5870 -5.5870 -5.4810 -5.4810 5.0050 5.0050 5.1631 5.1631 6.1336 6.1336 6.8568 6.8568 6.8672 6.8672 7.6793 7.6793 7.7863 7.7863 8.7366 8.7366 9.4672 9.4672 9.6894 9.6894 9.9101 9.9101 10.2669 10.2669 12.5192 12.5192 12.7463 12.7463 14.0758 14.0758 14.1382 14.1382 14.2187 14.2187 16.0205 16.0205 16.5943 16.5943 k = 0.0000 0.2879-0.0000 ( 2647 PWs) bands (ev): -48.7963 -48.7963 -48.7887 -48.7887 -24.5926 -24.5926 -24.5299 -24.5299 -22.2318 -22.2318 -22.1124 -22.1124 -22.0174 -22.0174 -21.9675 -21.9675 -6.9745 -6.9745 -6.4581 -6.4581 -5.6018 -5.6018 -5.4964 -5.4964 5.0440 5.0440 5.1993 5.1993 6.1878 6.1878 6.8602 6.8602 6.8704 6.8704 7.6328 7.6328 7.7362 7.7362 8.6365 8.6365 9.4660 9.4660 9.6872 9.6872 9.8830 9.8830 10.2459 10.2459 12.5570 12.5570 12.7802 12.7802 14.1035 14.1035 14.1638 14.1638 14.2718 14.2718 15.9690 15.9690 16.6572 16.6572 k = 0.0000 0.3030-0.0000 ( 2647 PWs) bands (ev): -48.7961 -48.7961 -48.7889 -48.7889 -24.5907 -24.5907 -24.5319 -24.5319 -22.2282 -22.2282 -22.1162 -22.1162 -22.0160 -22.0160 -21.9691 -21.9691 -6.9506 -6.9506 -6.4594 -6.4594 -5.6161 -5.6161 -5.5118 -5.5118 5.0838 5.0838 5.2353 5.2353 6.2449 6.2449 6.8635 6.8635 6.8735 6.8735 7.5865 7.5865 7.6855 7.6855 8.5356 8.5356 9.4656 9.4656 9.6879 9.6879 9.8559 9.8559 10.2238 10.2238 12.5940 12.5940 12.8114 12.8114 14.1304 14.1304 14.1884 14.1884 14.3268 14.3268 15.9158 15.9158 16.7237 16.7237 k = 0.0000 0.3182-0.0000 ( 2650 PWs) bands (ev): -48.7959 -48.7959 -48.7892 -48.7892 -24.5887 -24.5887 -24.5339 -24.5339 -22.2245 -22.2245 -22.1201 -22.1201 -22.0144 -22.0144 -21.9707 -21.9707 -6.9261 -6.9261 -6.4618 -6.4618 -5.6297 -5.6297 -5.5272 -5.5272 5.1240 5.1240 5.2707 5.2707 6.3050 6.3050 6.8668 6.8668 6.8765 6.8765 7.5408 7.5408 7.6347 7.6347 8.4343 8.4343 9.4661 9.4661 9.6913 9.6913 9.8290 9.8290 10.2007 10.2007 12.6300 12.6300 12.8395 12.8395 14.1564 14.1564 14.2120 14.2120 14.3834 14.3834 15.8610 15.8610 16.7938 16.7938 k = 0.0000 0.3333-0.0000 ( 2648 PWs) bands (ev): -48.7957 -48.7957 -48.7893 -48.7893 -24.5866 -24.5866 -24.5360 -24.5360 -22.2206 -22.2206 -22.1242 -22.1242 -22.0128 -22.0128 -21.9724 -21.9724 -6.9010 -6.9010 -6.4656 -6.4656 -5.6423 -5.6423 -5.5424 -5.5424 5.1643 5.1643 5.3052 5.3052 6.3679 6.3679 6.8700 6.8700 6.8793 6.8793 7.4961 7.4961 7.5844 7.5844 8.3327 8.3327 9.4675 9.4675 9.6973 9.6973 9.8025 9.8025 10.1766 10.1766 12.6648 12.6648 12.8645 12.8645 14.1814 14.1814 14.2343 14.2343 14.4414 14.4414 15.8048 15.8048 16.8672 16.8672 k = 0.0000 0.3485-0.0000 ( 2658 PWs) bands (ev): -48.7953 -48.7953 -48.7899 -48.7899 -24.5846 -24.5846 -24.5381 -24.5381 -22.2168 -22.2168 -22.1283 -22.1283 -22.0113 -22.0113 -21.9742 -21.9742 -6.8754 -6.8754 -6.4710 -6.4710 -5.6537 -5.6537 -5.5575 -5.5575 5.2043 5.2043 5.3383 5.3383 6.4338 6.4338 6.8731 6.8731 6.8819 6.8819 7.4529 7.4529 7.5351 7.5351 8.2311 8.2311 9.4700 9.4700 9.7058 9.7058 9.7764 9.7764 10.1518 10.1518 12.6982 12.6982 12.8864 12.8864 14.2052 14.2052 14.2552 14.2552 14.5005 14.5005 15.7472 15.7472 16.9438 16.9438 k = 0.0000 0.3636-0.0000 ( 2662 PWs) bands (ev): -48.7951 -48.7951 -48.7902 -48.7902 -24.5825 -24.5825 -24.5403 -24.5403 -22.2128 -22.2128 -22.1325 -22.1325 -22.0096 -22.0096 -21.9759 -21.9759 -6.8494 -6.8494 -6.4780 -6.4780 -5.6638 -5.6638 -5.5723 -5.5723 5.2437 5.2437 5.3696 5.3696 6.5024 6.5024 6.8761 6.8761 6.8843 6.8843 7.4116 7.4116 7.4876 7.4876 8.1297 8.1297 9.4735 9.4735 9.7164 9.7164 9.7512 9.7512 10.1264 10.1264 12.7302 12.7302 12.9050 12.9050 14.2278 14.2278 14.2743 14.2743 14.5606 14.5606 15.6885 15.6885 17.0234 17.0234 k = 0.0000 0.3788-0.0000 ( 2658 PWs) bands (ev): -48.7949 -48.7949 -48.7904 -48.7904 -24.5802 -24.5802 -24.5426 -24.5426 -22.2086 -22.2086 -22.1368 -22.1368 -22.0078 -22.0078 -21.9777 -21.9777 -6.8232 -6.8232 -6.4867 -6.4867 -5.6722 -5.6722 -5.5867 -5.5867 5.2821 5.2821 5.3985 5.3985 6.5736 6.5736 6.8789 6.8789 6.8865 6.8865 7.3727 7.3727 7.4424 7.4424 8.0287 8.0287 9.4782 9.4782 9.7227 9.7227 9.7330 9.7330 10.1005 10.1005 12.7605 12.7605 12.9203 12.9203 14.2489 14.2489 14.2916 14.2916 14.6216 14.6216 15.6288 15.6288 17.1057 17.1057 k = 0.0000 0.3939-0.0000 ( 2652 PWs) bands (ev): -48.7945 -48.7945 -48.7906 -48.7906 -24.5780 -24.5780 -24.5448 -24.5448 -22.2043 -22.2043 -22.1412 -22.1412 -22.0060 -22.0060 -21.9796 -21.9796 -6.7968 -6.7968 -6.4973 -6.4973 -5.6790 -5.6790 -5.6006 -5.6006 5.3189 5.3189 5.4247 5.4247 6.6474 6.6474 6.8815 6.8815 6.8884 6.8884 7.3367 7.3367 7.4002 7.4002 7.9284 7.9284 9.4842 9.4842 9.7011 9.7011 9.7455 9.7455 10.0742 10.0742 12.7890 12.7890 12.9322 12.9322 14.2685 14.2685 14.3069 14.3069 14.6834 14.6834 15.5681 15.5681 17.1907 17.1907 k = 0.0000 0.4091-0.0000 ( 2652 PWs) bands (ev): -48.7942 -48.7942 -48.7908 -48.7908 -24.5757 -24.5757 -24.5471 -24.5471 -22.2000 -22.2000 -22.1456 -22.1456 -22.0042 -22.0042 -21.9814 -21.9814 -6.7704 -6.7704 -6.5097 -6.5097 -5.6839 -5.6839 -5.6140 -5.6140 5.3536 5.3536 5.4474 5.4474 6.7236 6.7236 6.8839 6.8839 6.8901 6.8901 7.3041 7.3041 7.3617 7.3617 7.8290 7.8290 9.4913 9.4913 9.6782 9.6782 9.7621 9.7621 10.0477 10.0477 12.8156 12.8156 12.9410 12.9410 14.2862 14.2862 14.3200 14.3200 14.7457 14.7457 15.5067 15.5067 17.2781 17.2781 k = 0.0000 0.4242-0.0000 ( 2652 PWs) bands (ev): -48.7939 -48.7939 -48.7911 -48.7911 -24.5734 -24.5734 -24.5495 -24.5495 -22.1956 -22.1956 -22.1501 -22.1501 -22.0024 -22.0024 -21.9833 -21.9833 -6.7441 -6.7441 -6.5239 -6.5239 -5.6870 -5.6870 -5.6266 -5.6266 5.3857 5.3857 5.4663 5.4663 6.8018 6.8018 6.8861 6.8861 6.8915 6.8915 7.2753 7.2753 7.3278 7.3278 7.7309 7.7309 9.4998 9.4998 9.6560 9.6560 9.7804 9.7804 10.0211 10.0211 12.8401 12.8401 12.9464 12.9464 14.3020 14.3020 14.3308 14.3308 14.8086 14.8086 15.4445 15.4445 17.3676 17.3676 k = 0.0000 0.4394-0.0000 ( 2658 PWs) bands (ev): -48.7937 -48.7937 -48.7915 -48.7915 -24.5711 -24.5711 -24.5519 -24.5519 -22.1912 -22.1912 -22.1546 -22.1546 -22.0006 -22.0006 -21.9853 -21.9853 -6.7181 -6.7181 -6.5400 -6.5400 -5.6881 -5.6881 -5.6384 -5.6384 5.4147 5.4147 5.4808 5.4808 6.8799 6.8799 6.8882 6.8882 6.8942 6.8942 7.2508 7.2508 7.2994 7.2994 7.6343 7.6343 9.5095 9.5095 9.6349 9.6349 9.8003 9.8003 9.9945 9.9945 12.8624 12.8624 12.9487 12.9487 14.3157 14.3157 14.3392 14.3392 14.8719 14.8719 15.3818 15.3818 17.4591 17.4591 k = 0.0000 0.4545-0.0000 ( 2658 PWs) bands (ev): -48.7934 -48.7934 -48.7918 -48.7918 -24.5687 -24.5687 -24.5542 -24.5542 -22.1867 -22.1867 -22.1592 -22.1592 -21.9987 -21.9987 -21.9872 -21.9872 -6.6925 -6.6925 -6.5577 -6.5577 -5.6875 -5.6875 -5.6493 -5.6493 5.4400 5.4400 5.4906 5.4906 6.8896 6.8896 6.8925 6.8925 6.9634 6.9634 7.2303 7.2303 7.2777 7.2777 7.5400 7.5400 9.5206 9.5206 9.6148 9.6148 9.8214 9.8214 9.9682 9.9682 12.8825 12.8825 12.9479 12.9479 14.3273 14.3273 14.3451 14.3451 14.9355 14.9355 15.3186 15.3186 17.5522 17.5522 k = 0.0000 0.4697-0.0000 ( 2662 PWs) bands (ev): -48.7931 -48.7931 -48.7922 -48.7922 -24.5663 -24.5663 -24.5566 -24.5566 -22.1822 -22.1822 -22.1638 -22.1638 -21.9968 -21.9968 -21.9891 -21.9891 -6.6675 -6.6675 -6.5771 -6.5771 -5.6850 -5.6850 -5.6591 -5.6591 5.4610 5.4610 5.4953 5.4953 6.8910 6.8910 6.8930 6.8930 7.0433 7.0433 7.2132 7.2132 7.2652 7.2652 7.4493 7.4493 9.5331 9.5331 9.5960 9.5960 9.8438 9.8438 9.9421 9.9421 12.9001 12.9001 12.9440 12.9440 14.3365 14.3365 14.3485 14.3485 14.9994 14.9994 15.2551 15.2551 17.6467 17.6467 k = 0.0000 0.4848-0.0000 ( 2666 PWs) bands (ev): -48.7930 -48.7930 -48.7925 -48.7925 -24.5639 -24.5639 -24.5591 -24.5591 -22.1776 -22.1776 -22.1684 -22.1684 -21.9949 -21.9949 -21.9910 -21.9910 -6.6433 -6.6433 -6.5979 -6.5979 -5.6808 -5.6808 -5.6677 -5.6677 5.4774 5.4774 5.4947 5.4947 6.8920 6.8920 6.8930 6.8930 7.1167 7.1167 7.1964 7.1964 7.2677 7.2677 7.3655 7.3655 9.5468 9.5468 9.5783 9.5783 9.8672 9.8672 9.9165 9.9165 12.9151 12.9151 12.9372 12.9372 14.3432 14.3432 14.3493 14.3493 15.0634 15.0634 15.1913 15.1913 17.7423 17.7423 k = 0.0000 0.5000-0.0000 ( 2680 PWs) bands (ev): -48.7929 -48.7929 -48.7929 -48.7929 -24.5616 -24.5616 -24.5616 -24.5616 -22.1731 -22.1731 -22.1731 -22.1731 -21.9930 -21.9930 -21.9930 -21.9930 -6.6201 -6.6201 -6.6201 -6.6201 -5.6750 -5.6750 -5.6750 -5.6750 5.4887 5.4887 5.4887 5.4887 6.8927 6.8927 6.8927 6.8927 7.1697 7.1697 7.1697 7.1697 7.2993 7.2993 7.2993 7.2993 9.5619 9.5619 9.5619 9.5619 9.8915 9.8915 9.8915 9.8915 12.9276 12.9276 12.9276 12.9276 14.3475 14.3475 14.3475 14.3475 15.1274 15.1274 15.1274 15.1274 17.8389 17.8389 k = 0.0000 0.5000-0.0000 ( 2680 PWs) bands (ev): -48.7929 -48.7929 -48.7929 -48.7929 -24.5616 -24.5616 -24.5616 -24.5616 -22.1731 -22.1731 -22.1731 -22.1731 -21.9930 -21.9930 -21.9930 -21.9930 -6.6201 -6.6201 -6.6201 -6.6201 -5.6750 -5.6750 -5.6750 -5.6750 5.4887 5.4887 5.4887 5.4887 6.8927 6.8927 6.8927 6.8927 7.1697 7.1697 7.1697 7.1697 7.2993 7.2993 7.2993 7.2993 9.5619 9.5619 9.5619 9.5619 9.8915 9.8915 9.8915 9.8915 12.9276 12.9276 12.9276 12.9276 14.3475 14.3475 14.3475 14.3475 15.1274 15.1274 15.1274 15.1274 17.8389 17.8389 k = 0.0152 0.5000-0.0000 ( 2670 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5615 -24.5615 -24.5615 -24.5615 -22.1731 -22.1731 -22.1731 -22.1731 -21.9929 -21.9929 -21.9929 -21.9929 -6.6206 -6.6206 -6.6206 -6.6206 -5.6744 -5.6744 -5.6744 -5.6744 5.4860 5.4860 5.4860 5.4860 6.8924 6.8924 6.8924 6.8924 7.1658 7.1658 7.1658 7.1658 7.3081 7.3081 7.3081 7.3081 9.5626 9.5626 9.5626 9.5626 9.8897 9.8897 9.8897 9.8897 12.9259 12.9259 12.9259 12.9259 14.3463 14.3463 14.3463 14.3463 15.1282 15.1282 15.1282 15.1282 17.8379 17.8379 k = 0.0303 0.5000-0.0000 ( 2666 PWs) bands (ev): -48.7927 -48.7927 -48.7927 -48.7927 -24.5615 -24.5615 -24.5615 -24.5615 -22.1732 -22.1732 -22.1732 -22.1732 -21.9928 -21.9928 -21.9928 -21.9928 -6.6220 -6.6220 -6.6220 -6.6220 -5.6725 -5.6725 -5.6725 -5.6725 5.4781 5.4781 5.4781 5.4781 6.8916 6.8916 6.8916 6.8916 7.1567 7.1567 7.1567 7.1567 7.3315 7.3315 7.3315 7.3315 9.5648 9.5648 9.5648 9.5648 9.8842 9.8842 9.8842 9.8842 12.9209 12.9209 12.9209 12.9209 14.3427 14.3427 14.3427 14.3427 15.1307 15.1307 15.1307 15.1307 17.8350 17.8350 k = 0.0455 0.5000-0.0000 ( 2662 PWs) bands (ev): -48.7927 -48.7927 -48.7927 -48.7927 -24.5615 -24.5615 -24.5615 -24.5615 -22.1734 -22.1734 -22.1734 -22.1734 -21.9926 -21.9926 -21.9926 -21.9926 -6.6245 -6.6245 -6.6245 -6.6245 -5.6694 -5.6694 -5.6694 -5.6694 5.4652 5.4652 5.4652 5.4652 6.8904 6.8904 6.8904 6.8904 7.1469 7.1469 7.1469 7.1469 7.3650 7.3650 7.3650 7.3650 9.5684 9.5684 9.5684 9.5684 9.8753 9.8753 9.8753 9.8753 12.9126 12.9126 12.9126 12.9126 14.3367 14.3367 14.3367 14.3367 15.1348 15.1348 15.1348 15.1348 17.8302 17.8302 k = 0.0606 0.5000-0.0000 ( 2658 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5615 -24.5615 -24.5615 -24.5615 -22.1736 -22.1736 -22.1736 -22.1736 -21.9922 -21.9922 -21.9922 -21.9922 -6.6278 -6.6278 -6.6278 -6.6278 -5.6651 -5.6651 -5.6651 -5.6651 5.4476 5.4476 5.4476 5.4476 6.8886 6.8886 6.8886 6.8886 7.1389 7.1389 7.1389 7.1389 7.4055 7.4055 7.4055 7.4055 9.5734 9.5734 9.5734 9.5734 9.8628 9.8628 9.8628 9.8628 12.9009 12.9009 12.9009 12.9009 14.3284 14.3284 14.3284 14.3284 15.1405 15.1405 15.1405 15.1405 17.8236 17.8236 k = 0.0758 0.5000-0.0000 ( 2648 PWs) bands (ev): -48.7925 -48.7925 -48.7925 -48.7925 -24.5615 -24.5615 -24.5615 -24.5615 -22.1739 -22.1739 -22.1739 -22.1739 -21.9918 -21.9918 -21.9918 -21.9918 -6.6320 -6.6320 -6.6320 -6.6320 -5.6597 -5.6597 -5.6597 -5.6597 5.4258 5.4258 5.4258 5.4258 6.8863 6.8863 6.8863 6.8863 7.1340 7.1340 7.1340 7.1340 7.4514 7.4514 7.4514 7.4514 9.5797 9.5797 9.5797 9.5797 9.8470 9.8470 9.8470 9.8470 12.8861 12.8861 12.8861 12.8861 14.3179 14.3179 14.3179 14.3179 15.1477 15.1477 15.1477 15.1477 17.8155 17.8155 k = 0.0909 0.5000-0.0000 ( 2644 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5616 -24.5616 -24.5616 -24.5616 -22.1743 -22.1743 -22.1743 -22.1743 -21.9913 -21.9913 -21.9913 -21.9913 -6.6371 -6.6371 -6.6371 -6.6371 -5.6533 -5.6533 -5.6533 -5.6533 5.4001 5.4001 5.4001 5.4001 6.8836 6.8836 6.8836 6.8836 7.1326 7.1326 7.1326 7.1326 7.5016 7.5016 7.5016 7.5016 9.5874 9.5874 9.5874 9.5874 9.8280 9.8280 9.8280 9.8280 12.8681 12.8681 12.8681 12.8681 14.3052 14.3052 14.3052 14.3052 15.1563 15.1563 15.1563 15.1563 17.8059 17.8059 k = 0.1061 0.5000-0.0000 ( 2648 PWs) bands (ev): -48.7925 -48.7925 -48.7925 -48.7925 -24.5617 -24.5617 -24.5617 -24.5617 -22.1748 -22.1748 -22.1748 -22.1748 -21.9908 -21.9908 -21.9908 -21.9908 -6.6428 -6.6428 -6.6428 -6.6428 -5.6459 -5.6459 -5.6459 -5.6459 5.3712 5.3712 5.3712 5.3712 6.8804 6.8804 6.8804 6.8804 7.1349 7.1349 7.1349 7.1349 7.5553 7.5553 7.5553 7.5553 9.5962 9.5962 9.5962 9.5962 9.8060 9.8060 9.8060 9.8060 12.8469 12.8469 12.8469 12.8469 14.2905 14.2905 14.2905 14.2905 15.1663 15.1663 15.1663 15.1663 17.7951 17.7951 k = 0.1212 0.5000-0.0000 ( 2640 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5617 -24.5617 -24.5617 -24.5617 -22.1752 -22.1752 -22.1752 -22.1752 -21.9902 -21.9902 -21.9902 -21.9902 -6.6492 -6.6492 -6.6492 -6.6492 -5.6376 -5.6376 -5.6376 -5.6376 5.3396 5.3396 5.3396 5.3396 6.8769 6.8769 6.8769 6.8769 7.1408 7.1408 7.1408 7.1408 7.6119 7.6119 7.6119 7.6119 9.6062 9.6062 9.6062 9.6062 9.7813 9.7813 9.7813 9.7813 12.8227 12.8227 12.8227 12.8227 14.2740 14.2740 14.2740 14.2740 15.1774 15.1774 15.1774 15.1774 17.7833 17.7833 k = 0.1364 0.5000-0.0000 ( 2640 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5618 -24.5618 -24.5618 -24.5618 -22.1758 -22.1758 -22.1758 -22.1758 -21.9895 -21.9895 -21.9895 -21.9895 -6.6562 -6.6562 -6.6562 -6.6562 -5.6286 -5.6286 -5.6286 -5.6286 5.3058 5.3058 5.3058 5.3058 6.8731 6.8731 6.8731 6.8731 7.1502 7.1502 7.1502 7.1502 7.6708 7.6708 7.6708 7.6708 9.6172 9.6172 9.6172 9.6172 9.7541 9.7541 9.7541 9.7541 12.7956 12.7956 12.7956 12.7956 14.2558 14.2558 14.2558 14.2558 15.1896 15.1896 15.1896 15.1896 17.7707 17.7707 k = 0.1515 0.5000-0.0000 ( 2644 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5619 -24.5619 -24.5619 -24.5619 -22.1765 -22.1765 -22.1765 -22.1765 -21.9888 -21.9888 -21.9888 -21.9888 -6.6636 -6.6636 -6.6636 -6.6636 -5.6190 -5.6190 -5.6190 -5.6190 5.2704 5.2704 5.2704 5.2704 6.8689 6.8689 6.8689 6.8689 7.1630 7.1630 7.1630 7.1630 7.7313 7.7313 7.7313 7.7313 9.6291 9.6291 9.6291 9.6291 9.7248 9.7248 9.7248 9.7248 12.7657 12.7657 12.7657 12.7657 14.2360 14.2360 14.2360 14.2360 15.2027 15.2027 15.2027 15.2027 17.7576 17.7576 k = 0.1667 0.5000-0.0000 ( 2644 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5620 -24.5620 -24.5620 -24.5620 -22.1771 -22.1771 -22.1771 -22.1771 -21.9880 -21.9880 -21.9880 -21.9880 -6.6714 -6.6714 -6.6714 -6.6714 -5.6088 -5.6088 -5.6088 -5.6088 5.2337 5.2337 5.2337 5.2337 6.8644 6.8644 6.8644 6.8644 7.1790 7.1790 7.1790 7.1790 7.7928 7.7928 7.7928 7.7928 9.6412 9.6412 9.6412 9.6412 9.6943 9.6943 9.6943 9.6943 12.7332 12.7332 12.7332 12.7332 14.2149 14.2149 14.2149 14.2149 15.2166 15.2166 15.2166 15.2166 17.7442 17.7442 k = 0.1818 0.5000-0.0000 ( 2650 PWs) bands (ev): -48.7925 -48.7925 -48.7925 -48.7925 -24.5621 -24.5621 -24.5621 -24.5621 -22.1778 -22.1778 -22.1778 -22.1778 -21.9872 -21.9872 -21.9872 -21.9872 -6.6795 -6.6795 -6.6795 -6.6795 -5.5982 -5.5982 -5.5982 -5.5982 5.1964 5.1964 5.1964 5.1964 6.8598 6.8598 6.8598 6.8598 7.1980 7.1980 7.1980 7.1980 7.8548 7.8548 7.8548 7.8548 9.6479 9.6479 9.6479 9.6479 9.6686 9.6686 9.6686 9.6686 12.6981 12.6981 12.6981 12.6981 14.1926 14.1926 14.1926 14.1926 15.2311 15.2311 15.2311 15.2311 17.7306 17.7306 k = 0.1970 0.5000-0.0000 ( 2654 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5622 -24.5622 -24.5622 -24.5622 -22.1786 -22.1786 -22.1786 -22.1786 -21.9864 -21.9864 -21.9864 -21.9864 -6.6878 -6.6878 -6.6878 -6.6878 -5.5873 -5.5873 -5.5873 -5.5873 5.1586 5.1586 5.1586 5.1586 6.8550 6.8550 6.8550 6.8550 7.2199 7.2199 7.2199 7.2199 7.9166 7.9166 7.9166 7.9166 9.6232 9.6232 9.6232 9.6232 9.6738 9.6738 9.6738 9.6738 12.6608 12.6608 12.6608 12.6608 14.1694 14.1694 14.1694 14.1694 15.2460 15.2460 15.2460 15.2460 17.7171 17.7171 k = 0.2121 0.5000-0.0000 ( 2648 PWs) bands (ev): -48.7925 -48.7925 -48.7925 -48.7925 -24.5623 -24.5623 -24.5623 -24.5623 -22.1793 -22.1793 -22.1793 -22.1793 -21.9855 -21.9855 -21.9855 -21.9855 -6.6962 -6.6962 -6.6962 -6.6962 -5.5761 -5.5761 -5.5761 -5.5761 5.1210 5.1210 5.1210 5.1210 6.8500 6.8500 6.8500 6.8500 7.2445 7.2445 7.2445 7.2445 7.9774 7.9774 7.9774 7.9774 9.5898 9.5898 9.5898 9.5898 9.6878 9.6878 9.6878 9.6878 12.6213 12.6213 12.6213 12.6213 14.1454 14.1454 14.1454 14.1454 15.2613 15.2613 15.2613 15.2613 17.7038 17.7038 k = 0.2273 0.5000-0.0000 ( 2644 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5624 -24.5624 -24.5624 -24.5624 -22.1800 -22.1800 -22.1800 -22.1800 -21.9846 -21.9846 -21.9846 -21.9846 -6.7046 -6.7046 -6.7046 -6.7046 -5.5649 -5.5649 -5.5649 -5.5649 5.0836 5.0836 5.0836 5.0836 6.8450 6.8450 6.8450 6.8450 7.2717 7.2717 7.2717 7.2717 8.0366 8.0366 8.0366 8.0366 9.5558 9.5558 9.5558 9.5558 9.7029 9.7029 9.7029 9.7029 12.5800 12.5800 12.5800 12.5800 14.1209 14.1209 14.1209 14.1209 15.2766 15.2766 15.2766 15.2766 17.6909 17.6909 k = 0.2424 0.5000-0.0000 ( 2644 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5625 -24.5625 -24.5625 -24.5625 -22.1807 -22.1807 -22.1807 -22.1807 -21.9837 -21.9837 -21.9837 -21.9837 -6.7130 -6.7130 -6.7130 -6.7130 -5.5536 -5.5536 -5.5536 -5.5536 5.0470 5.0470 5.0470 5.0470 6.8399 6.8399 6.8399 6.8399 7.3014 7.3014 7.3014 7.3014 8.0933 8.0933 8.0933 8.0933 9.5224 9.5224 9.5224 9.5224 9.7185 9.7185 9.7185 9.7185 12.5371 12.5371 12.5371 12.5371 14.0961 14.0961 14.0961 14.0961 15.2920 15.2920 15.2920 15.2920 17.6786 17.6786 k = 0.2576 0.5000-0.0000 ( 2640 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5626 -24.5626 -24.5626 -24.5626 -22.1815 -22.1815 -22.1815 -22.1815 -21.9828 -21.9828 -21.9828 -21.9828 -6.7213 -6.7213 -6.7213 -6.7213 -5.5425 -5.5425 -5.5425 -5.5425 5.0112 5.0112 5.0112 5.0112 6.8348 6.8348 6.8348 6.8348 7.3334 7.3334 7.3334 7.3334 8.1465 8.1465 8.1465 8.1465 9.4904 9.4904 9.4904 9.4904 9.7343 9.7343 9.7343 9.7343 12.4928 12.4928 12.4928 12.4928 14.0713 14.0713 14.0713 14.0713 15.3073 15.3073 15.3073 15.3073 17.6669 17.6669 k = 0.2727 0.5000-0.0000 ( 2640 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5627 -24.5627 -24.5627 -24.5627 -22.1822 -22.1822 -22.1822 -22.1822 -21.9820 -21.9820 -21.9820 -21.9820 -6.7294 -6.7294 -6.7294 -6.7294 -5.5315 -5.5315 -5.5315 -5.5315 4.9767 4.9767 4.9767 4.9767 6.8298 6.8298 6.8298 6.8298 7.3675 7.3675 7.3675 7.3675 8.1951 8.1951 8.1951 8.1951 9.4607 9.4607 9.4607 9.4607 9.7502 9.7502 9.7502 9.7502 12.4476 12.4476 12.4476 12.4476 14.0466 14.0466 14.0466 14.0466 15.3222 15.3222 15.3222 15.3222 17.6558 17.6558 k = 0.2879 0.5000-0.0000 ( 2640 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5628 -24.5628 -24.5628 -24.5628 -22.1829 -22.1829 -22.1829 -22.1829 -21.9811 -21.9811 -21.9811 -21.9811 -6.7372 -6.7372 -6.7372 -6.7372 -5.5208 -5.5208 -5.5208 -5.5208 4.9435 4.9435 4.9435 4.9435 6.8249 6.8249 6.8249 6.8249 7.4038 7.4038 7.4038 7.4038 8.2382 8.2382 8.2382 8.2382 9.4343 9.4343 9.4343 9.4343 9.7659 9.7659 9.7659 9.7659 12.4017 12.4017 12.4017 12.4017 14.0222 14.0222 14.0222 14.0222 15.3367 15.3367 15.3367 15.3367 17.6456 17.6456 k = 0.3030 0.5000-0.0000 ( 2654 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5629 -24.5629 -24.5629 -24.5629 -22.1837 -22.1837 -22.1837 -22.1837 -21.9803 -21.9803 -21.9803 -21.9803 -6.7448 -6.7448 -6.7448 -6.7448 -5.5105 -5.5105 -5.5105 -5.5105 4.9118 4.9118 4.9118 4.9118 6.8201 6.8201 6.8201 6.8201 7.4419 7.4419 7.4419 7.4419 8.2745 8.2745 8.2745 8.2745 9.4121 9.4121 9.4121 9.4121 9.7814 9.7814 9.7814 9.7814 12.3555 12.3555 12.3555 12.3555 13.9984 13.9984 13.9984 13.9984 15.3507 15.3507 15.3507 15.3507 17.6361 17.6361 k = 0.3182 0.5000-0.0000 ( 2656 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5630 -24.5630 -24.5630 -24.5630 -22.1843 -22.1843 -22.1843 -22.1843 -21.9795 -21.9795 -21.9795 -21.9795 -6.7520 -6.7520 -6.7520 -6.7520 -5.5007 -5.5007 -5.5007 -5.5007 4.8819 4.8819 4.8819 4.8819 6.8156 6.8156 6.8156 6.8156 7.4819 7.4819 7.4819 7.4819 8.3029 8.3029 8.3029 8.3029 9.3949 9.3949 9.3949 9.3949 9.7965 9.7965 9.7965 9.7965 12.3095 12.3095 12.3095 12.3095 13.9754 13.9754 13.9754 13.9754 15.3640 15.3640 15.3640 15.3640 17.6275 17.6275 k = 0.3333 0.5000-0.0000 ( 2656 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5631 -24.5631 -24.5631 -24.5631 -22.1850 -22.1850 -22.1850 -22.1850 -21.9788 -21.9788 -21.9788 -21.9788 -6.7588 -6.7588 -6.7588 -6.7588 -5.4913 -5.4913 -5.4913 -5.4913 4.8539 4.8539 4.8539 4.8539 6.8112 6.8112 6.8112 6.8112 7.5236 7.5236 7.5236 7.5236 8.3225 8.3225 8.3225 8.3225 9.3834 9.3834 9.3834 9.3834 9.8110 9.8110 9.8110 9.8110 12.2641 12.2641 12.2641 12.2641 13.9534 13.9534 13.9534 13.9534 15.3766 15.3766 15.3766 15.3766 17.6198 17.6198 k = 0.3485 0.5000-0.0000 ( 2648 PWs) bands (ev): -48.7925 -48.7925 -48.7925 -48.7925 -24.5632 -24.5632 -24.5632 -24.5632 -22.1855 -22.1855 -22.1855 -22.1855 -21.9780 -21.9780 -21.9780 -21.9780 -6.7651 -6.7651 -6.7651 -6.7651 -5.4825 -5.4825 -5.4825 -5.4825 4.8279 4.8279 4.8279 4.8279 6.8071 6.8071 6.8071 6.8071 7.5668 7.5668 7.5668 7.5668 8.3328 8.3328 8.3328 8.3328 9.3778 9.3778 9.3778 9.3778 9.8249 9.8249 9.8249 9.8249 12.2198 12.2198 12.2198 12.2198 13.9325 13.9325 13.9325 13.9325 15.3884 15.3884 15.3884 15.3884 17.6128 17.6128 k = 0.3636 0.5000-0.0000 ( 2656 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5633 -24.5633 -24.5633 -24.5633 -22.1861 -22.1861 -22.1861 -22.1861 -21.9774 -21.9774 -21.9774 -21.9774 -6.7710 -6.7710 -6.7710 -6.7710 -5.4744 -5.4744 -5.4744 -5.4744 4.8041 4.8041 4.8041 4.8041 6.8033 6.8033 6.8033 6.8033 7.6114 7.6114 7.6114 7.6114 8.3337 8.3337 8.3337 8.3337 9.3780 9.3780 9.3780 9.3780 9.8379 9.8379 9.8379 9.8379 12.1771 12.1771 12.1771 12.1771 13.9130 13.9130 13.9130 13.9130 15.3992 15.3992 15.3992 15.3992 17.6067 17.6067 k = 0.3788 0.5000-0.0000 ( 2656 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5634 -24.5634 -24.5634 -24.5634 -22.1866 -22.1866 -22.1866 -22.1866 -21.9768 -21.9768 -21.9768 -21.9768 -6.7763 -6.7763 -6.7763 -6.7763 -5.4670 -5.4670 -5.4670 -5.4670 4.7824 4.7824 4.7824 4.7824 6.7998 6.7998 6.7998 6.7998 7.6572 7.6572 7.6572 7.6572 8.3254 8.3254 8.3254 8.3254 9.3833 9.3833 9.3833 9.3833 9.8500 9.8500 9.8500 9.8500 12.1367 12.1367 12.1367 12.1367 13.8951 13.8951 13.8951 13.8951 15.4090 15.4090 15.4090 15.4090 17.6014 17.6014 k = 0.3939 0.5000-0.0000 ( 2660 PWs) bands (ev): -48.7927 -48.7927 -48.7927 -48.7927 -24.5635 -24.5635 -24.5635 -24.5635 -22.1871 -22.1871 -22.1871 -22.1871 -21.9763 -21.9763 -21.9763 -21.9763 -6.7811 -6.7811 -6.7811 -6.7811 -5.4603 -5.4603 -5.4603 -5.4603 4.7632 4.7632 4.7632 4.7632 6.7966 6.7966 6.7966 6.7966 7.7042 7.7042 7.7042 7.7042 8.3088 8.3088 8.3088 8.3088 9.3926 9.3926 9.3926 9.3926 9.8610 9.8610 9.8610 9.8610 12.0991 12.0991 12.0991 12.0991 13.8789 13.8789 13.8789 13.8789 15.4178 15.4178 15.4178 15.4178 17.5968 17.5968 k = 0.4091 0.5000-0.0000 ( 2664 PWs) bands (ev): -48.7927 -48.7927 -48.7927 -48.7927 -24.5636 -24.5636 -24.5636 -24.5636 -22.1875 -22.1875 -22.1875 -22.1875 -21.9758 -21.9758 -21.9758 -21.9758 -6.7853 -6.7853 -6.7853 -6.7853 -5.4544 -5.4544 -5.4544 -5.4544 4.7463 4.7463 4.7463 4.7463 6.7939 6.7939 6.7939 6.7939 7.7520 7.7520 7.7520 7.7520 8.2849 8.2849 8.2849 8.2849 9.4044 9.4044 9.4044 9.4044 9.8708 9.8708 9.8708 9.8708 12.0648 12.0648 12.0648 12.0648 13.8645 13.8645 13.8645 13.8645 15.4256 15.4256 15.4256 15.4256 17.5929 17.5929 k = 0.4242 0.5000-0.0000 ( 2668 PWs) bands (ev): -48.7927 -48.7927 -48.7927 -48.7927 -24.5636 -24.5636 -24.5636 -24.5636 -22.1879 -22.1879 -22.1879 -22.1879 -21.9754 -21.9754 -21.9754 -21.9754 -6.7889 -6.7889 -6.7889 -6.7889 -5.4494 -5.4494 -5.4494 -5.4494 4.7319 4.7319 4.7319 4.7319 6.7915 6.7915 6.7915 6.7915 7.8006 7.8006 7.8006 7.8006 8.2547 8.2547 8.2547 8.2547 9.4174 9.4174 9.4174 9.4174 9.8793 9.8793 9.8793 9.8793 12.0346 12.0346 12.0346 12.0346 13.8521 13.8521 13.8521 13.8521 15.4322 15.4322 15.4322 15.4322 17.5897 17.5897 k = 0.4394 0.5000-0.0000 ( 2672 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5637 -24.5637 -24.5637 -24.5637 -22.1882 -22.1882 -22.1882 -22.1882 -21.9751 -21.9751 -21.9751 -21.9751 -6.7918 -6.7918 -6.7918 -6.7918 -5.4452 -5.4452 -5.4452 -5.4452 4.7201 4.7201 4.7201 4.7201 6.7895 6.7895 6.7895 6.7895 7.8496 7.8496 7.8496 7.8496 8.2195 8.2195 8.2195 8.2195 9.4302 9.4302 9.4302 9.4302 9.8864 9.8864 9.8864 9.8864 12.0089 12.0089 12.0089 12.0089 13.8417 13.8417 13.8417 13.8417 15.4376 15.4376 15.4376 15.4376 17.5872 17.5872 k = 0.4545 0.5000-0.0000 ( 2672 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5637 -24.5637 -24.5637 -24.5637 -22.1884 -22.1884 -22.1884 -22.1884 -21.9748 -21.9748 -21.9748 -21.9748 -6.7941 -6.7941 -6.7941 -6.7941 -5.4419 -5.4419 -5.4419 -5.4419 4.7108 4.7108 4.7108 4.7108 6.7879 6.7879 6.7879 6.7879 7.8988 7.8988 7.8988 7.8988 8.1801 8.1801 8.1801 8.1801 9.4415 9.4415 9.4415 9.4415 9.8920 9.8920 9.8920 9.8920 11.9883 11.9883 11.9883 11.9883 13.8336 13.8336 13.8336 13.8336 15.4419 15.4419 15.4419 15.4419 17.5852 17.5852 k = 0.4697 0.5000-0.0000 ( 2672 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5638 -24.5638 -24.5638 -24.5638 -22.1886 -22.1886 -22.1886 -22.1886 -21.9746 -21.9746 -21.9746 -21.9746 -6.7958 -6.7958 -6.7958 -6.7958 -5.4396 -5.4396 -5.4396 -5.4396 4.7042 4.7042 4.7042 4.7042 6.7868 6.7868 6.7868 6.7868 7.9480 7.9480 7.9480 7.9480 8.1376 8.1376 8.1376 8.1376 9.4503 9.4503 9.4503 9.4503 9.8961 9.8961 9.8961 9.8961 11.9732 11.9732 11.9732 11.9732 13.8278 13.8278 13.8278 13.8278 15.4449 15.4449 15.4449 15.4449 17.5839 17.5839 k = 0.4848 0.5000-0.0000 ( 2676 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5638 -24.5638 -24.5638 -24.5638 -22.1887 -22.1887 -22.1887 -22.1887 -21.9745 -21.9745 -21.9745 -21.9745 -6.7968 -6.7968 -6.7968 -6.7968 -5.4382 -5.4382 -5.4382 -5.4382 4.7002 4.7002 4.7002 4.7002 6.7861 6.7861 6.7861 6.7861 7.9965 7.9965 7.9965 7.9965 8.0929 8.0929 8.0929 8.0929 9.4559 9.4559 9.4559 9.4559 9.8986 9.8986 9.8986 9.8986 11.9641 11.9641 11.9641 11.9641 13.8242 13.8242 13.8242 13.8242 15.4468 15.4468 15.4468 15.4468 17.5830 17.5830 k = 0.5000 0.5000-0.0000 ( 2676 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5638 -24.5638 -24.5638 -24.5638 -22.1887 -22.1887 -22.1887 -22.1887 -21.9745 -21.9745 -21.9745 -21.9745 -6.7971 -6.7971 -6.7971 -6.7971 -5.4377 -5.4377 -5.4377 -5.4377 4.6989 4.6989 4.6989 4.6989 6.7859 6.7859 6.7859 6.7859 8.0368 8.0368 8.0368 8.0368 8.0538 8.0538 8.0538 8.0538 9.4578 9.4578 9.4578 9.4578 9.8994 9.8994 9.8994 9.8994 11.9610 11.9610 11.9610 11.9610 13.8230 13.8230 13.8230 13.8230 15.4474 15.4474 15.4474 15.4474 17.5828 17.5828 k = 0.5000 0.5000-0.0000 ( 2676 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5638 -24.5638 -24.5638 -24.5638 -22.1887 -22.1887 -22.1887 -22.1887 -21.9745 -21.9745 -21.9745 -21.9745 -6.7971 -6.7971 -6.7971 -6.7971 -5.4377 -5.4377 -5.4377 -5.4377 4.6989 4.6989 4.6989 4.6989 6.7859 6.7859 6.7859 6.7859 8.0368 8.0368 8.0368 8.0368 8.0538 8.0538 8.0538 8.0538 9.4578 9.4578 9.4578 9.4578 9.8994 9.8994 9.8994 9.8994 11.9610 11.9610 11.9610 11.9610 13.8230 13.8230 13.8230 13.8230 15.4474 15.4474 15.4474 15.4474 17.5828 17.5828 k = 0.4891 0.4891-0.0000 ( 2676 PWs) bands (ev): -48.7929 -48.7929 -48.7928 -48.7928 -24.5639 -24.5639 -24.5637 -24.5637 -22.1888 -22.1888 -22.1886 -22.1886 -21.9746 -21.9746 -21.9745 -21.9745 -6.7974 -6.7974 -6.7962 -6.7962 -5.4388 -5.4388 -5.4376 -5.4376 4.6988 4.6988 4.7016 4.7016 6.7860 6.7860 6.7863 6.7863 7.9755 7.9755 8.0372 8.0372 8.0528 8.0528 8.1131 8.1131 9.4516 9.4516 9.4601 9.4601 9.8976 9.8976 9.8994 9.8994 11.9611 11.9611 11.9672 11.9672 13.8230 13.8230 13.8255 13.8255 15.4453 15.4453 15.4482 15.4482 17.5809 17.5809 k = 0.4783 0.4783-0.0000 ( 2672 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5640 -24.5640 -24.5635 -24.5635 -22.1890 -22.1890 -22.1881 -22.1881 -21.9748 -21.9748 -21.9744 -21.9744 -6.7982 -6.7982 -6.7933 -6.7933 -5.4420 -5.4420 -5.4373 -5.4373 4.6988 4.6988 4.7099 4.7099 6.7861 6.7861 6.7876 6.7876 7.9048 7.9048 8.0382 8.0382 8.0499 8.0499 8.1780 8.1780 9.4332 9.4332 9.4670 9.4670 9.8924 9.8924 9.8996 9.8996 11.9615 11.9615 11.9855 11.9855 13.8229 13.8229 13.8328 13.8328 15.4389 15.4389 15.4508 15.4508 17.5752 17.5752 k = 0.4674 0.4674-0.0000 ( 2668 PWs) bands (ev): -48.7928 -48.7928 -48.7927 -48.7927 -24.5643 -24.5643 -24.5632 -24.5632 -22.1893 -22.1893 -22.1874 -22.1874 -21.9753 -21.9753 -21.9743 -21.9743 -6.7995 -6.7995 -6.7886 -6.7886 -5.4472 -5.4472 -5.4369 -5.4369 4.6987 4.6987 4.7236 4.7236 6.7863 6.7863 6.7897 6.7897 7.8325 7.8325 8.0400 8.0400 8.0449 8.0449 8.2407 8.2407 9.4038 9.4038 9.4784 9.4784 9.8839 9.8839 9.8999 9.8999 11.9622 11.9622 12.0150 12.0150 13.8228 13.8228 13.8449 13.8449 15.4285 15.4285 15.4550 15.4550 17.5657 17.5657 k = 0.4565 0.4565-0.0000 ( 2668 PWs) bands (ev): -48.7929 -48.7929 -48.7926 -48.7926 -24.5646 -24.5646 -24.5627 -24.5627 -22.1898 -22.1898 -22.1865 -22.1865 -21.9760 -21.9760 -21.9742 -21.9742 -6.8014 -6.8014 -6.7820 -6.7820 -5.4545 -5.4545 -5.4362 -5.4362 4.6985 4.6985 4.7427 4.7427 6.7866 6.7866 6.7925 6.7925 7.7589 7.7589 8.0373 8.0373 8.0424 8.0424 8.3009 8.3009 9.3648 9.3648 9.4942 9.4942 9.8723 9.8723 9.9003 9.9003 11.9631 11.9631 12.0545 12.0545 13.8226 13.8226 13.8614 13.8614 15.4139 15.4139 15.4609 15.4609 17.5525 17.5525 k = 0.4457 0.4457-0.0000 ( 2664 PWs) bands (ev): -48.7929 -48.7929 -48.7925 -48.7925 -24.5651 -24.5651 -24.5622 -24.5622 -22.1905 -22.1905 -22.1852 -22.1852 -21.9767 -21.9767 -21.9741 -21.9741 -6.8038 -6.8038 -6.7737 -6.7737 -5.4636 -5.4636 -5.4354 -5.4354 4.6983 4.6983 4.7670 4.7670 6.7870 6.7870 6.7961 6.7961 7.6843 7.6843 8.0268 8.0268 8.0455 8.0455 8.3585 8.3585 9.3184 9.3184 9.5143 9.5143 9.8577 9.8577 9.9009 9.9009 11.9643 11.9643 12.1023 12.1023 13.8224 13.8224 13.8822 13.8822 15.3952 15.3952 15.4686 15.4686 17.5357 17.5357 k = 0.4348 0.4348-0.0000 ( 2668 PWs) bands (ev): -48.7931 -48.7931 -48.7924 -48.7924 -24.5656 -24.5656 -24.5615 -24.5615 -22.1912 -22.1912 -22.1838 -22.1838 -21.9777 -21.9777 -21.9740 -21.9740 -6.8067 -6.8067 -6.7636 -6.7636 -5.4745 -5.4745 -5.4344 -5.4344 4.6981 4.6981 4.7962 4.7962 6.7874 6.7874 6.8004 6.8004 7.6090 7.6090 8.0128 8.0128 8.0492 8.0492 8.4136 8.4136 9.2667 9.2667 9.5384 9.5384 9.8406 9.8406 9.9017 9.9017 11.9658 11.9658 12.1568 12.1568 13.8222 13.8222 13.9067 13.9067 15.3726 15.3726 15.4780 15.4780 17.5152 17.5152 k = 0.4239 0.4239-0.0000 ( 2660 PWs) bands (ev): -48.7930 -48.7930 -48.7923 -48.7923 -24.5663 -24.5663 -24.5606 -24.5606 -22.1922 -22.1922 -22.1819 -22.1819 -21.9789 -21.9789 -21.9738 -21.9738 -6.8102 -6.8102 -6.7519 -6.7519 -5.4871 -5.4871 -5.4333 -5.4333 4.6978 4.6978 4.8303 4.8303 6.7880 6.7880 6.8054 6.8054 7.5331 7.5331 7.9944 7.9944 8.0535 8.0535 8.4660 8.4660 9.2123 9.2123 9.5663 9.5663 9.8213 9.8213 9.9026 9.9026 11.9675 11.9675 12.2162 12.2162 13.8218 13.8218 13.9345 13.9345 15.3462 15.3462 15.4891 15.4891 17.4912 17.4913 k = 0.4130 0.4130-0.0000 ( 2654 PWs) bands (ev): -48.7930 -48.7930 -48.7922 -48.7922 -24.5671 -24.5671 -24.5597 -24.5597 -22.1933 -22.1933 -22.1799 -22.1799 -21.9802 -21.9802 -21.9735 -21.9735 -6.8143 -6.8143 -6.7386 -6.7386 -5.5010 -5.5010 -5.4320 -5.4320 4.6975 4.6975 4.8688 4.8688 6.7886 6.7886 6.8109 6.8109 7.4570 7.4570 7.9710 7.9710 8.0583 8.0583 8.5159 8.5159 9.1576 9.1576 9.5976 9.5976 9.8001 9.8001 9.9038 9.9038 11.9694 11.9694 12.2790 12.2790 13.8215 13.8215 13.9652 13.9652 15.3161 15.3161 15.5019 15.5019 17.4639 17.4639 k = 0.4022 0.4022-0.0000 ( 2658 PWs) bands (ev): -48.7931 -48.7931 -48.7921 -48.7921 -24.5680 -24.5680 -24.5586 -24.5586 -22.1945 -22.1945 -22.1777 -22.1777 -21.9816 -21.9816 -21.9733 -21.9733 -6.8189 -6.8189 -6.7240 -6.7240 -5.5162 -5.5162 -5.4305 -5.4305 4.6971 4.6971 4.9115 4.9115 6.7893 6.7893 6.8169 6.8169 7.3808 7.3808 7.9417 7.9417 8.0637 8.0637 8.5636 8.5636 9.1049 9.1049 9.6319 9.6319 9.7774 9.7774 9.9053 9.9053 11.9715 11.9715 12.3437 12.3437 13.8211 13.8211 13.9981 13.9981 15.2825 15.2825 15.5165 15.5165 17.4333 17.4333 k = 0.3913 0.3913-0.0000 ( 2658 PWs) bands (ev): -48.7932 -48.7932 -48.7920 -48.7920 -24.5690 -24.5690 -24.5575 -24.5575 -22.1959 -22.1959 -22.1752 -22.1752 -21.9832 -21.9832 -21.9730 -21.9730 -6.8242 -6.8242 -6.7080 -6.7080 -5.5324 -5.5324 -5.4288 -5.4288 4.6967 4.6967 4.9580 4.9580 6.7901 6.7901 6.8232 6.8232 7.3046 7.3046 7.9060 7.9060 8.0694 8.0694 8.6091 8.6091 9.0563 9.0563 9.6685 9.6686 9.7538 9.7538 9.9071 9.9071 11.9738 11.9738 12.4089 12.4089 13.8206 13.8206 14.0327 14.0327 15.2455 15.2455 15.5328 15.5328 17.3996 17.3996 k = 0.3804 0.3804-0.0000 ( 2654 PWs) bands (ev): -48.7933 -48.7933 -48.7918 -48.7918 -24.5700 -24.5700 -24.5563 -24.5563 -22.1973 -22.1973 -22.1725 -22.1725 -21.9849 -21.9849 -21.9727 -21.9727 -6.8300 -6.8300 -6.6909 -6.6909 -5.5493 -5.5493 -5.4270 -5.4270 4.6963 4.6963 5.0077 5.0077 6.7909 6.7909 6.8299 6.8299 7.2288 7.2288 7.8636 7.8636 8.0755 8.0755 8.6528 8.6528 9.0135 9.0135 9.7054 9.7054 9.7313 9.7313 9.9093 9.9093 11.9763 11.9763 12.4735 12.4735 13.8201 13.8201 14.0682 14.0682 15.2053 15.2053 15.5509 15.5509 17.3630 17.3630 k = 0.3696 0.3696-0.0000 ( 2642 PWs) bands (ev): -48.7933 -48.7933 -48.7915 -48.7915 -24.5711 -24.5711 -24.5549 -24.5549 -22.1989 -22.1989 -22.1696 -22.1696 -21.9866 -21.9866 -21.9723 -21.9723 -6.8365 -6.8365 -6.6729 -6.6729 -5.5666 -5.5666 -5.4251 -5.4251 4.6958 4.6958 5.0601 5.0601 6.7918 6.7918 6.8367 6.8367 7.1535 7.1535 7.8144 7.8144 8.0820 8.0820 8.6950 8.6950 8.9777 8.9777 9.7017 9.7017 9.7506 9.7506 9.9119 9.9119 11.9790 11.9790 12.5365 12.5365 13.8196 13.8196 14.1042 14.1042 15.1620 15.1620 15.5707 15.5707 17.3236 17.3236 k = 0.3587 0.3587-0.0000 ( 2636 PWs) bands (ev): -48.7935 -48.7935 -48.7912 -48.7912 -24.5722 -24.5722 -24.5535 -24.5535 -22.2006 -22.2006 -22.1665 -22.1665 -21.9884 -21.9884 -21.9719 -21.9719 -6.8436 -6.8436 -6.6542 -6.6542 -5.5840 -5.5840 -5.4230 -5.4230 4.6953 4.6953 5.1146 5.1146 6.7927 6.7927 6.8436 6.8436 7.0788 7.0788 7.7592 7.7592 8.0887 8.0887 8.7359 8.7359 8.9495 8.9495 9.6774 9.6774 9.7912 9.7912 9.9154 9.9154 11.9818 11.9818 12.5970 12.5970 13.8191 13.8191 14.1399 14.1399 15.1160 15.1160 15.5923 15.5923 17.2816 17.2816 k = 0.3478 0.3478-0.0000 ( 2634 PWs) bands (ev): -48.7936 -48.7936 -48.7910 -48.7910 -24.5735 -24.5735 -24.5520 -24.5520 -22.2025 -22.2025 -22.1633 -22.1633 -21.9903 -21.9903 -21.9715 -21.9715 -6.8513 -6.8513 -6.6349 -6.6349 -5.6013 -5.6013 -5.4208 -5.4208 4.6948 4.6948 5.1705 5.1705 6.7938 6.7938 6.8505 6.8505 7.0050 7.0050 7.6990 7.6990 8.0956 8.0956 8.7759 8.7759 8.9291 8.9291 9.6529 9.6529 9.8322 9.8322 9.9202 9.9202 11.9847 11.9847 12.6542 12.6542 13.8185 13.8185 14.1746 14.1746 15.0675 15.0675 15.6156 15.6156 17.2374 17.2374 k = 0.3370 0.3370-0.0000 ( 2636 PWs) bands (ev): -48.7938 -48.7938 -48.7909 -48.7909 -24.5748 -24.5748 -24.5504 -24.5504 -22.2045 -22.2045 -22.1599 -22.1599 -21.9923 -21.9923 -21.9710 -21.9710 -6.8598 -6.8598 -6.6154 -6.6154 -5.6180 -5.6180 -5.4185 -5.4185 4.6942 4.6942 5.2266 5.2266 6.7948 6.7948 6.8571 6.8571 6.9321 6.9321 7.6355 7.6355 8.1027 8.1027 8.8151 8.8151 8.9163 8.9163 9.6288 9.6288 9.8705 9.8705 9.9285 9.9285 11.9878 11.9878 12.7075 12.7075 13.8179 13.8179 14.2076 14.2076 15.0165 15.0165 15.6406 15.6406 17.1909 17.1909 k = 0.3261 0.3261-0.0000 ( 2636 PWs) bands (ev): -48.7940 -48.7940 -48.7907 -48.7907 -24.5762 -24.5762 -24.5488 -24.5488 -22.2066 -22.2066 -22.1564 -22.1564 -21.9944 -21.9944 -21.9706 -21.9706 -6.8689 -6.8689 -6.5958 -6.5958 -5.6338 -5.6338 -5.4161 -5.4161 4.6937 4.6937 5.2822 5.2822 6.7959 6.7959 6.8575 6.8575 6.8663 6.8663 7.5704 7.5704 8.1099 8.1099 8.8538 8.8538 8.9105 8.9105 9.6058 9.6058 9.8989 9.8989 9.9471 9.9471 11.9910 11.9910 12.7564 12.7564 13.8172 13.8172 14.2385 14.2385 14.9635 14.9635 15.6672 15.6672 17.1427 17.1427 k = 0.3152 0.3152-0.0000 ( 2636 PWs) bands (ev): -48.7942 -48.7942 -48.7905 -48.7905 -24.5777 -24.5777 -24.5471 -24.5471 -22.2089 -22.2089 -22.1527 -22.1527 -21.9964 -21.9964 -21.9701 -21.9701 -6.8786 -6.8786 -6.5766 -6.5766 -5.6483 -5.6483 -5.4135 -5.4135 4.6930 4.6930 5.3357 5.3357 6.7891 6.7891 6.7972 6.7972 6.8701 6.8701 7.5060 7.5060 8.1171 8.1171 8.8916 8.8916 8.9119 8.9119 9.5839 9.5839 9.9131 9.9131 9.9799 9.9799 11.9942 11.9942 12.8004 12.8004 13.8166 13.8166 14.2664 14.2664 14.9086 14.9086 15.6954 15.6954 17.0928 17.0928 k = 0.3043 0.3043-0.0000 ( 2638 PWs) bands (ev): -48.7944 -48.7944 -48.7904 -48.7904 -24.5792 -24.5792 -24.5454 -24.5454 -22.2112 -22.2112 -22.1489 -22.1489 -21.9985 -21.9985 -21.9696 -21.9696 -6.8891 -6.8891 -6.5580 -6.5580 -5.6611 -5.6611 -5.4109 -5.4109 4.6924 4.6924 5.3859 5.3859 6.7200 6.7200 6.7982 6.7982 6.8756 6.8756 7.4446 7.4446 8.1243 8.1243 8.9147 8.9147 8.9336 8.9336 9.5636 9.5636 9.9211 9.9211 10.0187 10.0187 11.9975 11.9975 12.8391 12.8391 13.8159 13.8159 14.2910 14.2910 14.8521 14.8521 15.7252 15.7252 17.0416 17.0416 k = 0.2935 0.2935-0.0000 ( 2640 PWs) bands (ev): -48.7946 -48.7946 -48.7902 -48.7902 -24.5807 -24.5807 -24.5437 -24.5437 -22.2136 -22.2136 -22.1451 -22.1451 -22.0006 -22.0006 -21.9690 -21.9690 -6.9003 -6.9003 -6.5404 -6.5404 -5.6718 -5.6718 -5.4082 -5.4082 4.6917 4.6917 5.4310 5.4310 6.6521 6.6521 6.7994 6.7994 6.8805 6.8805 7.3884 7.3884 8.1315 8.1315 8.9268 8.9268 8.9716 8.9716 9.5450 9.5450 9.9274 9.9274 10.0585 10.0585 12.0008 12.0008 12.8721 12.8721 13.8152 13.8152 14.3116 14.3116 14.7942 14.7942 15.7565 15.7565 16.9894 16.9894 k = 0.2826 0.2826-0.0000 ( 2639 PWs) bands (ev): -48.7949 -48.7949 -48.7899 -48.7899 -24.5823 -24.5823 -24.5419 -24.5419 -22.2161 -22.2161 -22.1412 -22.1412 -22.0026 -22.0026 -21.9684 -21.9684 -6.9121 -6.9121 -6.5240 -6.5240 -5.6802 -5.6802 -5.4053 -5.4053 4.6910 4.6910 5.4692 5.4692 6.5859 6.5859 6.8007 6.8007 6.8848 6.8848 7.3399 7.3399 8.1386 8.1386 8.9425 8.9425 9.0108 9.0108 9.5282 9.5282 9.9336 9.9336 10.0977 10.0977 12.0041 12.0041 12.8993 12.8993 13.8144 13.8144 14.3278 14.3278 14.7352 14.7352 15.7892 15.7892 16.9364 16.9364 k = 0.2717 0.2717-0.0000 ( 2635 PWs) bands (ev): -48.7951 -48.7951 -48.7896 -48.7896 -24.5839 -24.5839 -24.5401 -24.5401 -22.2187 -22.2187 -22.1373 -22.1373 -22.0046 -22.0046 -21.9678 -21.9678 -6.9246 -6.9246 -6.5091 -6.5091 -5.6858 -5.6858 -5.4024 -5.4024 4.6902 4.6902 5.4988 5.4988 6.5213 6.5213 6.8019 6.8019 6.8884 6.8884 7.3015 7.3015 8.1456 8.1456 8.9621 8.9621 9.0505 9.0505 9.5134 9.5134 9.9400 9.9400 10.1356 10.1356 12.0074 12.0074 12.9203 12.9203 13.8137 13.8137 14.3392 14.3392 14.6755 14.6755 15.8231 15.8231 16.8829 16.8829 k = 0.2609 0.2609-0.0000 ( 2635 PWs) bands (ev): -48.7953 -48.7953 -48.7894 -48.7894 -24.5855 -24.5855 -24.5383 -24.5383 -22.2213 -22.2213 -22.1333 -22.1333 -22.0067 -22.0067 -21.9671 -21.9671 -6.9378 -6.9378 -6.4959 -6.4959 -5.6885 -5.6885 -5.3995 -5.3995 4.6894 4.6894 5.5181 5.5181 6.4584 6.4584 6.8031 6.8031 6.8911 6.8911 7.2751 7.2751 8.1524 8.1524 8.9853 8.9853 9.0908 9.0908 9.5006 9.5006 9.9469 9.9469 10.1718 10.1718 12.0108 12.0108 12.9350 12.9350 13.8129 13.8129 14.3455 14.3455 14.6153 14.6153 15.8583 15.8583 16.8293 16.8293 k = 0.2500 0.2500-0.0000 ( 2631 PWs) bands (ev): -48.7954 -48.7954 -48.7892 -48.7892 -24.5871 -24.5871 -24.5365 -24.5365 -22.2240 -22.2240 -22.1293 -22.1293 -22.0086 -22.0086 -21.9664 -21.9664 -6.9516 -6.9516 -6.4847 -6.4847 -5.6880 -5.6880 -5.3964 -5.3964 4.6886 4.6886 5.5260 5.5260 6.3975 6.3975 6.8044 6.8044 6.8930 6.8930 7.2622 7.2622 8.1590 8.1590 9.0116 9.0116 9.1318 9.1318 9.4900 9.4900 9.9544 9.9544 10.2061 10.2061 12.0140 12.0140 12.9434 12.9434 13.8121 13.8121 14.3463 14.3463 14.5552 14.5552 15.8944 15.8944 16.7758 16.7758 k = 0.2391 0.2391-0.0000 ( 2631 PWs) bands (ev): -48.7956 -48.7956 -48.7889 -48.7889 -24.5888 -24.5888 -24.5346 -24.5346 -22.2268 -22.2268 -22.1253 -22.1253 -22.0105 -22.0105 -21.9657 -21.9657 -6.9659 -6.9659 -6.4755 -6.4755 -5.6845 -5.6845 -5.3933 -5.3933 4.6877 4.6877 5.5219 5.5219 6.3385 6.3385 6.8057 6.8057 6.8940 6.8940 7.2634 7.2634 8.1654 8.1654 9.0410 9.0410 9.1733 9.1733 9.4815 9.4815 9.9625 9.9625 10.2382 10.2382 12.0172 12.0172 12.9453 12.9453 13.8113 13.8113 14.3413 14.3413 14.4956 14.4956 15.9315 15.9315 16.7228 16.7228 k = 0.2283 0.2283-0.0000 ( 2637 PWs) bands (ev): -48.7959 -48.7959 -48.7888 -48.7888 -24.5904 -24.5904 -24.5329 -24.5329 -22.2295 -22.2295 -22.1214 -22.1214 -22.0124 -22.0124 -21.9649 -21.9649 -6.9807 -6.9807 -6.4683 -6.4683 -5.6778 -5.6778 -5.3902 -5.3902 4.6868 4.6868 5.5059 5.5059 6.2815 6.2815 6.8069 6.8069 6.8942 6.8942 7.2787 7.2787 8.1716 8.1716 9.0733 9.0733 9.2155 9.2155 9.4750 9.4750 9.9714 9.9714 10.2679 10.2679 12.0204 12.0204 12.9407 12.9407 13.8105 13.8105 14.3297 14.3297 14.4377 14.4377 15.9692 15.9692 16.6705 16.6705 k = 0.2174 0.2174-0.0000 ( 2637 PWs) bands (ev): -48.7961 -48.7961 -48.7886 -48.7886 -24.5921 -24.5921 -24.5311 -24.5311 -22.2323 -22.2323 -22.1175 -22.1175 -22.0142 -22.0142 -21.9641 -21.9641 -6.9959 -6.9959 -6.4631 -6.4631 -5.6682 -5.6682 -5.3869 -5.3869 4.6858 4.6858 5.4792 5.4792 6.2267 6.2267 6.8081 6.8081 6.8934 6.8934 7.3070 7.3070 8.1776 8.1776 9.1081 9.1081 9.2583 9.2583 9.4704 9.4704 9.9812 9.9812 10.2952 10.2952 12.0234 12.0234 12.9297 12.9297 13.8096 13.8096 14.3096 14.3096 14.3838 14.3838 16.0076 16.0076 16.6191 16.6191 k = 0.2065 0.2065-0.0000 ( 2637 PWs) bands (ev): -48.7963 -48.7963 -48.7884 -48.7884 -24.5937 -24.5937 -24.5293 -24.5293 -22.2351 -22.2351 -22.1137 -22.1137 -22.0159 -22.0159 -21.9633 -21.9633 -7.0115 -7.0115 -6.4597 -6.4597 -5.6559 -5.6559 -5.3837 -5.3837 4.6848 4.6848 5.4433 5.4433 6.1741 6.1741 6.8093 6.8093 6.8918 6.8918 7.3468 7.3468 8.1833 8.1833 9.1456 9.1456 9.3016 9.3016 9.4677 9.4677 9.9917 9.9917 10.3199 10.3199 12.0263 12.0263 12.9123 12.9123 13.8087 13.8087 14.2767 14.2767 14.3389 14.3389 16.0462 16.0462 16.5690 16.5690 k = 0.1957 0.1957-0.0000 ( 2635 PWs) bands (ev): -48.7964 -48.7964 -48.7883 -48.7883 -24.5952 -24.5952 -24.5276 -24.5276 -22.2378 -22.2378 -22.1100 -22.1100 -22.0176 -22.0176 -21.9625 -21.9625 -7.0274 -7.0274 -6.4580 -6.4580 -5.6413 -5.6413 -5.3803 -5.3803 4.6837 4.6837 5.3998 5.3998 6.1238 6.1238 6.8105 6.8105 6.8895 6.8895 7.3961 7.3961 8.1887 8.1887 9.1856 9.1856 9.3454 9.3454 9.4667 9.4667 10.0032 10.0032 10.3419 10.3419 12.0291 12.0291 12.8887 12.8887 13.8078 13.8078 14.2305 14.2305 14.3038 14.3038 16.0850 16.0850 16.5204 16.5204 k = 0.1848 0.1848-0.0000 ( 2637 PWs) bands (ev): -48.7966 -48.7966 -48.7881 -48.7881 -24.5968 -24.5968 -24.5259 -24.5259 -22.2405 -22.2405 -22.1064 -22.1064 -22.0192 -22.0192 -21.9617 -21.9617 -7.0433 -7.0433 -6.4576 -6.4576 -5.6247 -5.6247 -5.3769 -5.3769 4.6825 4.6825 5.3508 5.3508 6.0758 6.0758 6.8117 6.8117 6.8864 6.8864 7.4528 7.4528 8.1940 8.1940 9.2279 9.2279 9.3896 9.3896 9.4672 9.4672 10.0156 10.0156 10.3611 10.3611 12.0318 12.0318 12.8591 12.8591 13.8068 13.8068 14.1782 14.1782 14.2724 14.2724 16.1237 16.1237 16.4734 16.4734 k = 0.1739 0.1739-0.0000 ( 2645 PWs) bands (ev): -48.7969 -48.7969 -48.7880 -48.7880 -24.5983 -24.5983 -24.5243 -24.5243 -22.2432 -22.2432 -22.1030 -22.1030 -22.0207 -22.0207 -21.9608 -21.9608 -7.0593 -7.0593 -6.4584 -6.4584 -5.6068 -5.6068 -5.3733 -5.3733 4.6812 4.6812 5.2979 5.2979 6.0302 6.0302 6.8128 6.8128 6.8828 6.8828 7.5150 7.5150 8.1989 8.1989 9.2727 9.2727 9.4335 9.4335 9.4695 9.4695 10.0288 10.0288 10.3775 10.3775 12.0343 12.0343 12.8237 12.8237 13.8057 13.8057 14.1246 14.1246 14.2405 14.2405 16.1621 16.1621 16.4284 16.4284 k = 0.1630 0.1630-0.0000 ( 2645 PWs) bands (ev): -48.7971 -48.7971 -48.7878 -48.7878 -24.5998 -24.5998 -24.5228 -24.5228 -22.2457 -22.2457 -22.0997 -22.0997 -22.0221 -22.0221 -21.9600 -21.9600 -7.0751 -7.0751 -6.4601 -6.4601 -5.5878 -5.5878 -5.3697 -5.3697 4.6797 4.6797 5.2429 5.2429 5.9870 5.9870 6.8138 6.8138 6.8787 6.8787 7.5806 7.5806 8.2037 8.2037 9.3198 9.3198 9.4672 9.4672 9.4833 9.4833 10.0429 10.0429 10.3910 10.3910 12.0366 12.0366 12.7830 12.7830 13.8045 13.8045 14.0717 14.0717 14.2069 14.2069 16.1999 16.1999 16.3854 16.3854 k = 0.1522 0.1522-0.0000 ( 2645 PWs) bands (ev): -48.7973 -48.7973 -48.7876 -48.7876 -24.6012 -24.6012 -24.5213 -24.5213 -22.2482 -22.2482 -22.0965 -22.0965 -22.0234 -22.0234 -21.9591 -21.9591 -7.0907 -7.0907 -6.4624 -6.4624 -5.5682 -5.5682 -5.3659 -5.3659 4.6781 4.6781 5.1870 5.1870 5.9464 5.9464 6.8148 6.8148 6.8741 6.8741 7.6481 7.6481 8.2082 8.2082 9.3691 9.3691 9.4733 9.4733 9.5255 9.5255 10.0578 10.0578 10.4016 10.4016 12.0387 12.0387 12.7374 12.7374 13.8030 13.8030 14.0204 14.0204 14.1718 14.1718 16.2368 16.2368 16.3447 16.3447 k = 0.1413 0.1413-0.0000 ( 2645 PWs) bands (ev): -48.7975 -48.7975 -48.7875 -48.7875 -24.6025 -24.6025 -24.5198 -24.5198 -22.2506 -22.2506 -22.0935 -22.0935 -22.0246 -22.0246 -21.9583 -21.9583 -7.1059 -7.1059 -6.4653 -6.4653 -5.5486 -5.5486 -5.3619 -5.3619 4.6762 4.6762 5.1316 5.1316 5.9084 5.9084 6.8158 6.8158 6.8693 6.8693 7.7159 7.7159 8.2125 8.2125 9.4204 9.4204 9.4779 9.4779 9.5699 9.5699 10.0733 10.0733 10.4094 10.4094 12.0406 12.0406 12.6874 12.6874 13.8011 13.8011 13.9716 13.9716 14.1355 14.1355 16.2718 16.2718 16.3072 16.3072 k = 0.1304 0.1304-0.0000 ( 2647 PWs) bands (ev): -48.7977 -48.7977 -48.7873 -48.7873 -24.6038 -24.6038 -24.5185 -24.5185 -22.2529 -22.2529 -22.0907 -22.0907 -22.0258 -22.0258 -21.9574 -21.9574 -7.1207 -7.1207 -6.4684 -6.4684 -5.5294 -5.5294 -5.3576 -5.3576 4.6740 4.6740 5.0777 5.0777 5.8729 5.8729 6.8167 6.8167 6.8643 6.8643 7.7825 7.7825 8.2166 8.2166 9.4719 9.4719 9.4842 9.4842 9.6143 9.6143 10.0892 10.0892 10.4143 10.4143 12.0422 12.0422 12.6337 12.6337 13.7984 13.7984 13.9259 13.9259 14.0984 14.0984 16.2684 16.2684 16.3092 16.3092 k = 0.1196 0.1196-0.0000 ( 2641 PWs) bands (ev): -48.7979 -48.7979 -48.7869 -48.7869 -24.6049 -24.6049 -24.5173 -24.5173 -22.2550 -22.2550 -22.0882 -22.0882 -22.0267 -22.0267 -21.9566 -21.9566 -7.1347 -7.1347 -6.4717 -6.4717 -5.5109 -5.5109 -5.3530 -5.3530 4.6714 4.6714 5.0262 5.0262 5.8402 5.8402 6.8174 6.8174 6.8592 6.8592 7.8469 7.8469 8.2206 8.2206 9.4861 9.4861 9.5296 9.5296 9.6584 9.6584 10.1055 10.1055 10.4165 10.4165 12.0435 12.0435 12.5771 12.5771 13.7940 13.7940 13.8845 13.8845 14.0614 14.0614 16.2356 16.2356 16.3415 16.3415 k = 0.1087 0.1087-0.0000 ( 2645 PWs) bands (ev): -48.7980 -48.7980 -48.7869 -48.7869 -24.6061 -24.6061 -24.5161 -24.5161 -22.2571 -22.2571 -22.0858 -22.0858 -22.0277 -22.0277 -21.9558 -21.9558 -7.1480 -7.1480 -6.4749 -6.4749 -5.4936 -5.4936 -5.3482 -5.3482 4.6682 4.6682 4.9780 4.9780 5.8101 5.8101 6.8181 6.8181 6.8542 6.8542 7.9078 7.9078 8.2245 8.2245 9.4910 9.4910 9.5854 9.5854 9.7017 9.7017 10.1218 10.1218 10.4159 10.4159 12.0444 12.0444 12.5185 12.5185 13.7853 13.7853 13.8504 13.8504 14.0249 14.0249 16.2048 16.2048 16.3726 16.3726 k = 0.0978 0.0978-0.0000 ( 2639 PWs) bands (ev): -48.7983 -48.7983 -48.7865 -48.7865 -24.6070 -24.6070 -24.5151 -24.5151 -22.2588 -22.2588 -22.0836 -22.0836 -22.0285 -22.0285 -21.9551 -21.9551 -7.1605 -7.1605 -6.4781 -6.4781 -5.4779 -5.4779 -5.3429 -5.3429 4.6644 4.6644 4.9338 4.9338 5.7828 5.7828 6.8187 6.8187 6.8494 6.8494 7.9645 7.9645 8.2284 8.2284 9.4956 9.4956 9.6418 9.6418 9.7441 9.7441 10.1380 10.1380 10.4129 10.4129 12.0449 12.0449 12.4591 12.4591 13.7680 13.7680 13.8280 13.8280 13.9896 13.9896 16.1767 16.1767 16.4017 16.4017 k = 0.0870 0.0870-0.0000 ( 2641 PWs) bands (ev): -48.7985 -48.7985 -48.7863 -48.7863 -24.6079 -24.6079 -24.5142 -24.5142 -22.2605 -22.2605 -22.0817 -22.0817 -22.0292 -22.0292 -21.9544 -21.9544 -7.1719 -7.1719 -6.4812 -6.4812 -5.4639 -5.4639 -5.3373 -5.3373 4.6598 4.6598 4.8943 4.8943 5.7583 5.7583 6.8191 6.8191 6.8449 6.8449 8.0159 8.0159 8.2325 8.2325 9.5000 9.5000 9.6979 9.6979 9.7852 9.7852 10.1537 10.1537 10.4075 10.4075 12.0447 12.0447 12.4000 12.4000 13.7426 13.7426 13.8170 13.8170 13.9563 13.9563 16.1512 16.1512 16.4285 16.4285 k = 0.0761 0.0761-0.0000 ( 2637 PWs) bands (ev): -48.7985 -48.7985 -48.7862 -48.7862 -24.6087 -24.6087 -24.5133 -24.5133 -22.2620 -22.2620 -22.0799 -22.0799 -22.0299 -22.0299 -21.9537 -21.9537 -7.1822 -7.1822 -6.4840 -6.4840 -5.4518 -5.4518 -5.3315 -5.3315 4.6541 4.6541 4.8600 4.8600 5.7366 5.7366 6.8194 6.8194 6.8408 6.8408 8.0615 8.0615 8.2369 8.2369 9.5040 9.5040 9.7525 9.7525 9.8246 9.8246 10.1685 10.1685 10.4002 10.4002 12.0438 12.0438 12.3428 12.3428 13.7152 13.7152 13.8114 13.8114 13.9255 13.9255 16.1286 16.1286 16.4528 16.4528 k = 0.0652 0.0652-0.0000 ( 2637 PWs) bands (ev): -48.7986 -48.7986 -48.7861 -48.7861 -24.6094 -24.6094 -24.5125 -24.5125 -22.2633 -22.2633 -22.0784 -22.0784 -22.0305 -22.0305 -21.9532 -21.9532 -7.1914 -7.1914 -6.4865 -6.4865 -5.4417 -5.4417 -5.3256 -5.3256 4.6475 4.6475 4.8314 4.8314 5.7177 5.7177 6.8195 6.8195 6.8373 6.8373 8.1004 8.1004 8.2419 8.2419 9.5075 9.5075 9.8042 9.8042 9.8622 9.8622 10.1823 10.1823 10.3911 10.3911 12.0418 12.0418 12.2894 12.2894 13.6894 13.6894 13.8077 13.8077 13.8981 13.8981 16.1088 16.1088 16.4743 16.4743 k = 0.0543 0.0543-0.0000 ( 2633 PWs) bands (ev): -48.7987 -48.7987 -48.7859 -48.7859 -24.6100 -24.6100 -24.5119 -24.5119 -22.2644 -22.2644 -22.0771 -22.0771 -22.0310 -22.0310 -21.9527 -21.9527 -7.1993 -7.1993 -6.4887 -6.4887 -5.4336 -5.4336 -5.3199 -5.3199 4.6401 4.6401 4.8085 4.8085 5.7017 5.7017 6.8193 6.8193 6.8344 6.8344 8.1320 8.1320 8.2478 8.2478 9.5106 9.5106 9.8513 9.8513 9.8973 9.8973 10.1947 10.1947 10.3810 10.3810 12.0383 12.0383 12.2416 12.2416 13.6667 13.6667 13.8044 13.8044 13.8747 13.8747 16.0920 16.0920 16.4929 16.4929 k = 0.0435 0.0435-0.0000 ( 2629 PWs) bands (ev): -48.7988 -48.7988 -48.7858 -48.7858 -24.6105 -24.6105 -24.5113 -24.5113 -22.2653 -22.2653 -22.0760 -22.0760 -22.0314 -22.0314 -21.9522 -21.9522 -7.2058 -7.2058 -6.4905 -6.4905 -5.4273 -5.4273 -5.3146 -5.3146 4.6324 4.6324 4.7911 4.7911 5.6886 5.6886 6.8189 6.8189 6.8322 6.8322 8.1560 8.1560 8.2548 8.2548 9.5132 9.5132 9.8920 9.8920 9.9295 9.9295 10.2054 10.2054 10.3705 10.3705 12.0329 12.0329 12.2016 12.2016 13.6477 13.6477 13.8007 13.8007 13.8561 13.8561 16.0781 16.0781 16.5083 16.5083 k = 0.0326 0.0326-0.0000 ( 2635 PWs) bands (ev): -48.7990 -48.7990 -48.7857 -48.7857 -24.6109 -24.6109 -24.5110 -24.5110 -22.2661 -22.2661 -22.0753 -22.0753 -22.0317 -22.0317 -21.9519 -21.9519 -7.2110 -7.2110 -6.4919 -6.4919 -5.4226 -5.4226 -5.3102 -5.3102 4.6251 4.6251 4.7786 4.7786 5.6784 5.6784 6.8183 6.8183 6.8307 6.8307 8.1728 8.1728 8.2622 8.2622 9.5153 9.5153 9.9244 9.9244 9.9579 9.9579 10.2142 10.2142 10.3604 10.3604 12.0257 12.0257 12.1712 12.1712 13.6326 13.6326 13.7963 13.7963 13.8428 13.8428 16.0673 16.0673 16.5204 16.5204 k = 0.0217 0.0217-0.0000 ( 2631 PWs) bands (ev): -48.7990 -48.7990 -48.7856 -48.7856 -24.6111 -24.6111 -24.5107 -24.5107 -22.2666 -22.2666 -22.0747 -22.0747 -22.0319 -22.0319 -21.9517 -21.9517 -7.2147 -7.2147 -6.4929 -6.4929 -5.4193 -5.4193 -5.3068 -5.3068 4.6191 4.6191 4.7704 4.7704 5.6711 5.6711 6.8178 6.8178 6.8297 6.8297 8.1833 8.1833 8.2691 8.2691 9.5168 9.5168 9.9478 9.9478 9.9805 9.9805 10.2206 10.2206 10.3520 10.3520 12.0179 12.0179 12.1507 12.1507 13.6218 13.6218 13.7918 13.7918 13.8345 13.8345 16.0595 16.0595 16.5292 16.5292 k = 0.0109 0.0109-0.0000 ( 2627 PWs) bands (ev): -48.7990 -48.7990 -48.7855 -48.7855 -24.6113 -24.6113 -24.5105 -24.5105 -22.2669 -22.2669 -22.0743 -22.0743 -22.0320 -22.0320 -21.9515 -21.9515 -7.2169 -7.2169 -6.4936 -6.4936 -5.4174 -5.4174 -5.3047 -5.3047 4.6152 4.6152 4.7657 4.7657 5.6667 5.6667 6.8173 6.8173 6.8292 6.8292 8.1889 8.1889 8.2739 8.2739 9.5176 9.5176 9.9620 9.9620 9.9952 9.9952 10.2246 10.2246 10.3463 10.3463 12.0116 12.0116 12.1394 12.1394 13.6152 13.6152 13.7883 13.7883 13.8303 13.8303 16.0549 16.0549 16.5345 16.5345 k = 0.0000 0.0000 0.0000 ( 2631 PWs) bands (ev): -48.7991 -48.7991 -48.7855 -48.7855 -24.6113 -24.6113 -24.5104 -24.5104 -22.2670 -22.2670 -22.0742 -22.0742 -22.0321 -22.0321 -21.9515 -21.9515 -7.2177 -7.2177 -6.4938 -6.4938 -5.4168 -5.4168 -5.3040 -5.3040 4.6139 4.6139 4.7642 4.7642 5.6652 5.6652 6.8172 6.8172 6.8291 6.8291 8.1907 8.1907 8.2756 8.2756 9.5179 9.5179 9.9667 9.9667 10.0003 10.0003 10.2260 10.2260 10.3443 10.3443 12.0092 12.0092 12.1358 12.1358 13.6130 13.6130 13.7870 13.7870 13.8290 13.8290 16.0533 16.0533 16.5363 16.5363 k = 0.0000 0.0000 0.0000 ( 2631 PWs) bands (ev): -48.7991 -48.7991 -48.7855 -48.7855 -24.6113 -24.6113 -24.5104 -24.5104 -22.2670 -22.2670 -22.0742 -22.0742 -22.0321 -22.0321 -21.9515 -21.9515 -7.2177 -7.2177 -6.4938 -6.4938 -5.4168 -5.4168 -5.3040 -5.3040 4.6139 4.6139 4.7642 4.7642 5.6652 5.6652 6.8172 6.8172 6.8291 6.8291 8.1907 8.1907 8.2756 8.2756 9.5179 9.5179 9.9667 9.9667 10.0003 10.0003 10.2260 10.2260 10.3443 10.3443 12.0092 12.0092 12.1358 12.1358 13.6130 13.6130 13.7870 13.7870 13.8290 13.8290 16.0533 16.0533 16.5363 16.5363 k = 0.0000 0.0000 0.0154 ( 2627 PWs) bands (ev): -48.7990 -48.7990 -48.7853 -48.7853 -24.6114 -24.6114 -24.5106 -24.5106 -22.2668 -22.2668 -22.0741 -22.0741 -22.0326 -22.0326 -21.9521 -21.9521 -7.2165 -7.2165 -6.4929 -6.4929 -5.4176 -5.4176 -5.3049 -5.3049 4.6155 4.6155 4.7661 4.7661 5.6663 5.6663 6.8145 6.8145 6.8264 6.8264 8.1940 8.1940 8.2789 8.2789 9.5137 9.5137 9.9651 9.9651 9.9987 9.9987 10.2204 10.2204 10.3446 10.3446 12.0136 12.0136 12.1381 12.1381 13.6119 13.6119 13.7871 13.7871 13.8291 13.8291 16.0556 16.0556 16.5351 16.5351 k = 0.0000 0.0000 0.0308 ( 2628 PWs) bands (ev): -48.7988 -48.7988 -48.7851 -48.7851 -24.6117 -24.6117 -24.5111 -24.5111 -22.2663 -22.2663 -22.0738 -22.0738 -22.0343 -22.0343 -21.9538 -21.9538 -7.2131 -7.2131 -6.4901 -6.4901 -5.4199 -5.4199 -5.3074 -5.3074 4.6203 4.6203 4.7719 4.7719 5.6695 5.6695 6.8067 6.8067 6.8184 6.8184 8.2040 8.2040 8.2888 8.2888 9.5010 9.5010 9.9601 9.9601 9.9939 9.9939 10.2036 10.2036 10.3456 10.3456 12.0266 12.0266 12.1448 12.1448 13.6085 13.6085 13.7873 13.7873 13.8294 13.8294 16.0624 16.0624 16.5316 16.5316 k = 0.0000 0.0000 0.0461 ( 2636 PWs) bands (ev): -48.7984 -48.7984 -48.7850 -48.7850 -24.6123 -24.6123 -24.5119 -24.5119 -22.2655 -22.2655 -22.0733 -22.0733 -22.0371 -22.0371 -21.9567 -21.9567 -7.2075 -7.2075 -6.4856 -6.4856 -5.4237 -5.4237 -5.3115 -5.3115 4.6283 4.6283 4.7815 4.7815 5.6748 5.6748 6.7940 6.7940 6.8054 6.8054 8.2202 8.2202 8.3049 8.3049 9.4801 9.4801 9.9518 9.9518 9.9860 9.9860 10.1762 10.1762 10.3473 10.3473 12.0479 12.0479 12.1559 12.1559 13.6029 13.6029 13.7878 13.7878 13.8300 13.8300 16.0737 16.0737 16.5258 16.5258 k = 0.0000 0.0000 0.0615 ( 2628 PWs) bands (ev): -48.7977 -48.7977 -48.7845 -48.7845 -24.6130 -24.6130 -24.5130 -24.5130 -22.2643 -22.2643 -22.0726 -22.0726 -22.0411 -22.0411 -21.9607 -21.9607 -7.1995 -7.1995 -6.4793 -6.4793 -5.4291 -5.4291 -5.3173 -5.3173 4.6395 4.6395 4.7948 4.7948 5.6822 5.6822 6.7769 6.7769 6.7878 6.7878 8.2422 8.2422 8.3268 8.3268 9.4512 9.4512 9.9402 9.9402 9.9748 9.9748 10.1390 10.1390 10.3496 10.3496 12.0767 12.0767 12.1711 12.1711 13.5950 13.5950 13.7886 13.7886 13.8309 13.8309 16.0894 16.0894 16.5177 16.5177 k = 0.0000 0.0000 0.0769 ( 2632 PWs) bands (ev): -48.7970 -48.7970 -48.7839 -48.7839 -24.6140 -24.6140 -24.5145 -24.5145 -22.2628 -22.2628 -22.0718 -22.0718 -22.0461 -22.0461 -21.9659 -21.9659 -7.1894 -7.1894 -6.4712 -6.4712 -5.4359 -5.4359 -5.3247 -5.3247 4.6539 4.6539 4.8119 4.8119 5.6917 5.6917 6.7560 6.7560 6.7663 6.7663 8.2694 8.2694 8.3538 8.3538 9.4148 9.4148 9.9251 9.9251 9.9606 9.9606 10.0930 10.0930 10.3524 10.3524 12.1124 12.1124 12.1903 12.1903 13.5849 13.5849 13.7898 13.7898 13.8322 13.8322 16.1093 16.1093 16.5073 16.5073 k = 0.0000 0.0000 0.0923 ( 2632 PWs) bands (ev): -48.7962 -48.7962 -48.7832 -48.7832 -24.6152 -24.6152 -24.5163 -24.5163 -22.2610 -22.2610 -22.0707 -22.0707 -22.0521 -22.0521 -21.9721 -21.9721 -7.1771 -7.1771 -6.4614 -6.4614 -5.4442 -5.4442 -5.3338 -5.3338 4.6714 4.6714 4.8328 4.8328 5.7034 5.7034 6.7319 6.7319 6.7414 6.7414 8.3010 8.3010 8.3852 8.3852 9.3712 9.3712 9.9063 9.9063 9.9432 9.9432 10.0393 10.0393 10.3559 10.3559 12.1541 12.1541 12.2131 12.2131 13.5726 13.5726 13.7914 13.7914 13.8338 13.8338 16.1334 16.1334 16.4946 16.4946 k = 0.0000 0.0000 0.1077 ( 2632 PWs) bands (ev): -48.7953 -48.7953 -48.7823 -48.7823 -24.6166 -24.6166 -24.5184 -24.5184 -22.2589 -22.2589 -22.0695 -22.0695 -22.0592 -22.0592 -21.9794 -21.9794 -7.1626 -7.1626 -6.4499 -6.4499 -5.4540 -5.4540 -5.3443 -5.3443 4.6919 4.6919 4.8572 4.8572 5.7171 5.7171 6.7052 6.7052 6.7139 6.7139 8.3364 8.3364 8.4204 8.4204 9.3209 9.3209 9.8830 9.8830 9.9228 9.9228 9.9798 9.9798 10.3598 10.3598 12.2011 12.2011 12.2393 12.2393 13.5581 13.5581 13.7937 13.7937 13.8360 13.8360 16.1614 16.1614 16.4796 16.4796 k = 0.0000 0.0000 0.1231 ( 2640 PWs) bands (ev): -48.7942 -48.7942 -48.7814 -48.7814 -24.6182 -24.6182 -24.5208 -24.5208 -22.2564 -22.2564 -22.0688 -22.0688 -22.0666 -22.0666 -21.9877 -21.9877 -7.1460 -7.1460 -6.4368 -6.4368 -5.4652 -5.4652 -5.3565 -5.3565 4.7154 4.7154 4.8853 4.8853 5.7330 5.7330 6.6766 6.6766 6.6842 6.6842 8.3748 8.3748 8.4585 8.4585 9.2646 9.2646 9.8527 9.8527 9.8994 9.8994 9.9180 9.9180 10.3643 10.3643 12.2527 12.2527 12.2686 12.2686 13.5415 13.5415 13.7966 13.7966 13.8388 13.8388 16.1932 16.1932 16.4624 16.4624 k = 0.0000 0.0000 0.1384 ( 2644 PWs) bands (ev): -48.7930 -48.7930 -48.7803 -48.7803 -24.6200 -24.6200 -24.5237 -24.5237 -22.2537 -22.2537 -22.0766 -22.0766 -22.0663 -22.0663 -21.9971 -21.9971 -7.1274 -7.1274 -6.4221 -6.4221 -5.4777 -5.4777 -5.3701 -5.3701 4.7419 4.7419 4.9169 4.9169 5.7509 5.7509 6.6466 6.6466 6.6531 6.6531 8.4156 8.4156 8.4990 8.4990 9.2027 9.2027 9.8064 9.8064 9.8636 9.8636 9.8730 9.8730 10.3691 10.3691 12.3006 12.3006 12.3083 12.3083 13.5228 13.5228 13.8003 13.8003 13.8422 13.8422 16.2284 16.2284 16.4429 16.4429 k = 0.0000 0.0000 0.1538 ( 2648 PWs) bands (ev): -48.7917 -48.7917 -48.7790 -48.7790 -24.6221 -24.6221 -24.5268 -24.5268 -22.2506 -22.2506 -22.0864 -22.0864 -22.0646 -22.0646 -22.0073 -22.0073 -7.1067 -7.1067 -6.4058 -6.4058 -5.4916 -5.4916 -5.3852 -5.3852 4.7712 4.7712 4.9519 4.9519 5.7710 5.7710 6.6158 6.6158 6.6210 6.6210 8.4581 8.4581 8.5411 8.5411 9.1358 9.1358 9.7389 9.7389 9.8228 9.8228 9.8439 9.8439 10.3742 10.3742 12.3352 12.3352 12.3675 12.3675 13.5022 13.5022 13.8050 13.8050 13.8465 13.8465 16.2669 16.2669 16.4211 16.4211 k = 0.0000 0.0000 0.1692 ( 2656 PWs) bands (ev): -48.7902 -48.7902 -48.7778 -48.7778 -24.6244 -24.6244 -24.5303 -24.5303 -22.2473 -22.2473 -22.0972 -22.0972 -22.0627 -22.0627 -22.0184 -22.0184 -7.0841 -7.0841 -6.3881 -6.3881 -5.5068 -5.5068 -5.4017 -5.4017 4.8033 4.8033 4.9902 4.9902 5.7931 5.7931 6.5847 6.5847 6.5885 6.5885 8.5019 8.5019 8.5842 8.5842 9.0644 9.0644 9.6601 9.6601 9.7864 9.7864 9.8121 9.8121 10.3795 10.3795 12.3721 12.3721 12.4297 12.4297 13.4798 13.4798 13.8106 13.8106 13.8516 13.8516 16.3084 16.3084 16.3972 16.3972 k = 0.0000 0.0000 0.1846 ( 2648 PWs) bands (ev): -48.7884 -48.7884 -48.7763 -48.7763 -24.6269 -24.6269 -24.5340 -24.5340 -22.2437 -22.2437 -22.1088 -22.1088 -22.0606 -22.0606 -22.0303 -22.0303 -7.0596 -7.0596 -6.3690 -6.3690 -5.5232 -5.5232 -5.4195 -5.4195 4.8381 4.8381 5.0317 5.0317 5.8173 5.8173 6.5536 6.5536 6.5559 6.5559 8.5462 8.5462 8.6277 8.6277 8.9891 8.9891 9.5757 9.5757 9.7494 9.7494 9.7777 9.7777 10.3850 10.3850 12.4111 12.4111 12.4948 12.4948 13.4557 13.4557 13.8174 13.8174 13.8577 13.8577 16.3527 16.3527 16.3711 16.3711 k = 0.0000 0.0000 0.2000 ( 2648 PWs) bands (ev): -48.7866 -48.7866 -48.7746 -48.7746 -24.6297 -24.6297 -24.5381 -24.5381 -22.2398 -22.2398 -22.1210 -22.1210 -22.0584 -22.0584 -22.0429 -22.0429 -7.0334 -7.0334 -6.3485 -6.3485 -5.5408 -5.5408 -5.4387 -5.4387 4.8754 4.8754 5.0763 5.0763 5.8436 5.8436 6.5229 6.5229 6.5236 6.5236 8.5907 8.5907 8.6711 8.6711 8.9104 8.9104 9.4876 9.4876 9.7107 9.7107 9.7409 9.7409 10.3905 10.3905 12.4520 12.4520 12.5624 12.5624 13.4300 13.4300 13.8252 13.8252 13.8648 13.8648 16.3428 16.3428 16.3993 16.3993 k = 0.0000 0.0000 0.2154 ( 2648 PWs) bands (ev): -48.7848 -48.7848 -48.7729 -48.7729 -24.6327 -24.6327 -24.5426 -24.5426 -22.2356 -22.2356 -22.1340 -22.1340 -22.0563 -22.0563 -22.0560 -22.0560 -7.0053 -7.0053 -6.3268 -6.3268 -5.5595 -5.5595 -5.4590 -5.4590 4.9153 4.9153 5.1238 5.1238 5.8719 5.8719 6.4921 6.4921 6.4929 6.4929 8.6348 8.6348 8.7134 8.7134 8.8291 8.8291 9.3967 9.3967 9.6700 9.6700 9.7019 9.7019 10.3958 10.3958 12.4948 12.4948 12.6323 12.6323 13.4030 13.4030 13.8343 13.8343 13.8729 13.8729 16.3124 16.3124 16.4482 16.4482 k = 0.0000 0.0000 0.2307 ( 2660 PWs) bands (ev): -48.7829 -48.7829 -48.7713 -48.7713 -24.6360 -24.6360 -24.5474 -24.5474 -22.2313 -22.2313 -22.1476 -22.1476 -22.0703 -22.0703 -22.0535 -22.0535 -6.9757 -6.9757 -6.3040 -6.3040 -5.5792 -5.5792 -5.4806 -5.4806 4.9574 4.9574 5.1742 5.1742 5.9022 5.9022 6.4614 6.4614 6.4639 6.4639 8.6780 8.6780 8.7368 8.7368 8.7630 8.7630 9.3037 9.3037 9.6272 9.6272 9.6611 9.6611 10.4009 10.4009 12.5393 12.5393 12.7046 12.7046 13.3748 13.3748 13.8446 13.8446 13.8822 13.8822 16.2799 16.2799 16.4989 16.4989 k = 0.0000 0.0000 0.2461 ( 2672 PWs) bands (ev): -48.7808 -48.7808 -48.7696 -48.7696 -24.6395 -24.6395 -24.5525 -24.5525 -22.2268 -22.2268 -22.1618 -22.1618 -22.0848 -22.0848 -22.0509 -22.0509 -6.9444 -6.9444 -6.2800 -6.2800 -5.6000 -5.6000 -5.5032 -5.5032 5.0018 5.0018 5.2271 5.2271 5.9346 5.9346 6.4320 6.4320 6.4362 6.4362 8.6561 8.6561 8.7198 8.7198 8.7973 8.7973 9.2092 9.2092 9.5825 9.5825 9.6186 9.6186 10.4056 10.4056 12.5854 12.5854 12.7789 12.7789 13.3456 13.3456 13.8561 13.8561 13.8927 13.8927 16.2453 16.2453 16.5511 16.5511 k = 0.0000 0.0000 0.2615 ( 2672 PWs) bands (ev): -48.7786 -48.7786 -48.7676 -48.7676 -24.6432 -24.6432 -24.5579 -24.5579 -22.2221 -22.2221 -22.1764 -22.1764 -22.0997 -22.0997 -22.0481 -22.0481 -6.9117 -6.9117 -6.2551 -6.2551 -5.6216 -5.6216 -5.5269 -5.5269 5.0482 5.0482 5.2825 5.2825 5.9690 5.9690 6.4040 6.4040 6.4099 6.4099 8.5683 8.5683 8.7596 8.7596 8.8346 8.8346 9.1138 9.1138 9.5362 9.5362 9.5750 9.5750 10.4097 10.4097 12.6331 12.6331 12.8553 12.8553 13.3157 13.3157 13.8689 13.8689 13.9043 13.9043 16.2087 16.2087 16.6047 16.6047 k = 0.0000 0.0000 0.2769 ( 2680 PWs) bands (ev): -48.7764 -48.7764 -48.7657 -48.7657 -24.6473 -24.6473 -24.5637 -24.5637 -22.2173 -22.2173 -22.1915 -22.1915 -22.1149 -22.1149 -22.0453 -22.0453 -6.8775 -6.8775 -6.2293 -6.2293 -5.6441 -5.6441 -5.5515 -5.5515 5.0966 5.0966 5.3402 5.3402 6.0054 6.0054 6.3775 6.3775 6.3851 6.3851 8.4789 8.4789 8.7960 8.7960 8.8692 8.8692 9.0186 9.0186 9.4886 9.4886 9.5310 9.5310 10.4130 10.4130 12.6824 12.6824 12.9338 12.9338 13.2853 13.2853 13.8830 13.8830 13.9170 13.9170 16.1702 16.1702 16.6593 16.6593 k = 0.0000 0.0000 0.2923 ( 2688 PWs) bands (ev): -48.7742 -48.7742 -48.7635 -48.7635 -24.6515 -24.6515 -24.5698 -24.5698 -22.2125 -22.2125 -22.2068 -22.2068 -22.1303 -22.1303 -22.0424 -22.0424 -6.8421 -6.8421 -6.2028 -6.2028 -5.6673 -5.6673 -5.5770 -5.5770 5.1467 5.1467 5.3999 5.3999 6.0438 6.0438 6.3528 6.3528 6.3621 6.3621 8.3885 8.3885 8.8241 8.8241 8.8998 8.8998 8.9285 8.9285 9.4403 9.4403 9.4872 9.4872 10.4154 10.4154 12.7332 12.7332 13.0142 13.0142 13.2546 13.2546 13.8982 13.8982 13.9309 13.9309 16.1297 16.1297 16.7146 16.7146 k = 0.0000 0.0000 0.3076 ( 2688 PWs) bands (ev): -48.7718 -48.7718 -48.7613 -48.7613 -24.6559 -24.6559 -24.5762 -24.5762 -22.2224 -22.2224 -22.2081 -22.2081 -22.1454 -22.1454 -22.0394 -22.0394 -6.8055 -6.8055 -6.1756 -6.1756 -5.6911 -5.6911 -5.6033 -5.6033 5.1983 5.1983 5.4613 5.4613 6.0841 6.0841 6.3300 6.3300 6.3409 6.3409 8.2975 8.2975 8.7999 8.7999 8.8867 8.8867 8.9253 8.9253 9.3921 9.3921 9.4450 9.4450 10.4165 10.4165 12.7857 12.7857 13.0966 13.0966 13.2241 13.2241 13.9146 13.9146 13.9458 13.9458 16.0873 16.0873 16.7704 16.7704 k = 0.0000 0.0000 0.3230 ( 2688 PWs) bands (ev): -48.7693 -48.7693 -48.7590 -48.7590 -24.6606 -24.6606 -24.5829 -24.5829 -22.2382 -22.2382 -22.2047 -22.2047 -22.1596 -22.1596 -22.0364 -22.0364 -6.7677 -6.7677 -6.1480 -6.1480 -5.7155 -5.7155 -5.6303 -5.6303 5.2513 5.2513 5.5244 5.5244 6.1264 6.1264 6.3092 6.3092 6.3217 6.3217 8.2062 8.2062 8.7127 8.7127 8.9030 8.9030 8.9439 8.9439 9.3453 9.3453 9.4060 9.4060 10.4162 10.4162 12.8398 12.8398 13.1809 13.1809 13.1939 13.1939 13.9321 13.9321 13.9617 13.9617 16.0431 16.0431 16.8264 16.8264 k = 0.0000 0.0000 0.3384 ( 2688 PWs) bands (ev): -48.7668 -48.7668 -48.7566 -48.7566 -24.6655 -24.6655 -24.5899 -24.5899 -22.2541 -22.2541 -22.2045 -22.2045 -22.1704 -22.1704 -22.0333 -22.0333 -6.7289 -6.7289 -6.1199 -6.1199 -5.7403 -5.7403 -5.6579 -5.6579 5.3055 5.3055 5.5887 5.5887 6.1707 6.1707 6.2905 6.2905 6.3046 6.3046 8.1150 8.1150 8.6177 8.6177 8.9206 8.9206 8.9535 8.9535 9.3018 9.3018 9.3724 9.3724 10.4143 10.4143 12.8954 12.8954 13.1644 13.1644 13.2672 13.2672 13.9506 13.9506 13.9786 13.9786 15.9970 15.9970 16.8823 16.8823 k = 0.0000 0.0000 0.3538 ( 2680 PWs) bands (ev): -48.7641 -48.7641 -48.7540 -48.7540 -24.6705 -24.6705 -24.5971 -24.5971 -22.2699 -22.2699 -22.2111 -22.2111 -22.1745 -22.1745 -22.0301 -22.0301 -6.6893 -6.6893 -6.0917 -6.0917 -5.7652 -5.7652 -5.6860 -5.6860 5.3607 5.3607 5.6539 5.6539 6.2168 6.2168 6.2741 6.2741 6.2895 6.2895 8.0243 8.0243 8.5218 8.5218 8.9297 8.9297 8.9517 8.9517 9.2648 9.2648 9.3465 9.3465 10.4104 10.4104 12.9528 12.9528 13.1359 13.1359 13.3554 13.3554 13.9700 13.9700 13.9963 13.9963 15.9493 15.9493 16.9379 16.9379 k = 0.0000 0.0000 0.3692 ( 2680 PWs) bands (ev): -48.7615 -48.7615 -48.7516 -48.7516 -24.6758 -24.6758 -24.6046 -24.6046 -22.2859 -22.2859 -22.2237 -22.2237 -22.1725 -22.1725 -22.0269 -22.0269 -6.6488 -6.6488 -6.0636 -6.0636 -5.7902 -5.7902 -5.7146 -5.7146 5.4166 5.4166 5.7197 5.7197 6.2599 6.2599 6.2649 6.2649 6.2766 6.2766 7.9344 7.9344 8.4265 8.4265 8.9259 8.9259 8.9371 8.9371 9.2378 9.2378 9.3300 9.3300 10.4042 10.4042 13.0117 13.0117 13.1088 13.1088 13.4455 13.4455 13.9903 13.9903 14.0148 14.0148 15.8998 15.8998 16.9930 16.9930 k = 0.0000 0.0000 0.3846 ( 2680 PWs) bands (ev): -48.7588 -48.7588 -48.7491 -48.7491 -24.6814 -24.6814 -24.6123 -24.6123 -22.3018 -22.3018 -22.2387 -22.2387 -22.1679 -22.1679 -22.0237 -22.0237 -6.6076 -6.6076 -6.0360 -6.0360 -5.8148 -5.8148 -5.7436 -5.7436 5.4730 5.4730 5.7858 5.7858 6.2482 6.2482 6.2658 6.2658 6.3148 6.3148 7.8457 7.8457 8.3321 8.3321 8.9066 8.9066 8.9099 8.9099 9.2232 9.2232 9.3227 9.3227 10.3957 10.3957 13.0707 13.0707 13.0852 13.0852 13.5373 13.5373 14.0112 14.0112 14.0338 14.0338 15.8488 15.8488 17.0473 17.0473 k = 0.0000 0.0000 0.3999 ( 2684 PWs) bands (ev): -48.7562 -48.7562 -48.7466 -48.7466 -24.6871 -24.6871 -24.6204 -24.6204 -22.3176 -22.3176 -22.2546 -22.2546 -22.1623 -22.1623 -22.0206 -22.0206 -6.5658 -6.5658 -6.0097 -6.0097 -5.8383 -5.8383 -5.7728 -5.7728 5.5296 5.5296 5.8515 5.8515 6.2391 6.2391 6.2573 6.2573 6.3666 6.3666 7.7585 7.7585 8.2392 8.2392 8.8717 8.8717 8.8725 8.8725 9.2203 9.2203 9.3229 9.3229 10.3844 10.3844 13.0591 13.0591 13.1360 13.1360 13.6310 13.6310 14.0326 14.0326 14.0534 14.0534 15.7961 15.7961 17.1006 17.1006 k = 0.0000 0.0000 0.4153 ( 2672 PWs) bands (ev): -48.7531 -48.7531 -48.7441 -48.7441 -24.6930 -24.6930 -24.6284 -24.6284 -22.3331 -22.3331 -22.2707 -22.2707 -22.1562 -22.1562 -22.0174 -22.0174 -6.5236 -6.5236 -5.9863 -5.9863 -5.8589 -5.8589 -5.8022 -5.8022 5.5861 5.5861 5.9163 5.9163 6.2327 6.2327 6.2511 6.2511 6.4201 6.4201 7.6732 7.6732 8.1482 8.1482 8.8253 8.8253 8.8271 8.8271 9.2257 9.2257 9.3284 9.3284 10.3701 10.3701 13.0382 13.0382 13.2004 13.2004 13.7264 13.7264 14.0546 14.0546 14.0733 14.0733 15.7420 15.7420 17.1526 17.1526 k = 0.0000 0.0000 0.4307 ( 2676 PWs) bands (ev): -48.7504 -48.7504 -48.7416 -48.7416 -24.6991 -24.6991 -24.6368 -24.6368 -22.3485 -22.3485 -22.2869 -22.2869 -22.1498 -22.1498 -22.0142 -22.0142 -6.4809 -6.4809 -5.9700 -5.9700 -5.8726 -5.8726 -5.8317 -5.8317 5.6422 5.6422 5.9794 5.9794 6.2296 6.2296 6.2471 6.2471 6.4755 6.4755 7.5904 7.5904 8.0593 8.0593 8.7728 8.7728 8.7740 8.7740 9.2359 9.2359 9.3369 9.3369 10.3526 10.3526 13.0197 13.0197 13.2668 13.2668 13.8235 13.8235 14.0768 14.0768 14.0935 14.0935 15.6865 15.6865 17.2033 17.2033 k = 0.0000 0.0000 0.4461 ( 2676 PWs) bands (ev): -48.7477 -48.7477 -48.7391 -48.7391 -24.7053 -24.7053 -24.6453 -24.6453 -22.3636 -22.3636 -22.3031 -22.3031 -22.1431 -22.1431 -22.0111 -22.0111 -6.4380 -6.4380 -5.9680 -5.9680 -5.8723 -5.8723 -5.8612 -5.8612 5.6976 5.6976 6.0394 6.0394 6.2302 6.2302 6.2453 6.2453 6.5326 6.5326 7.5105 7.5105 7.9728 7.9728 8.7159 8.7159 8.7159 8.7159 9.2484 9.2484 9.3469 9.3469 10.3317 10.3317 13.0042 13.0042 13.3353 13.3353 13.9220 13.9220 14.0993 14.0993 14.1139 14.1139 15.6297 15.6297 17.2523 17.2523 k = 0.0000 0.0000 0.4615 ( 2676 PWs) bands (ev): -48.7449 -48.7449 -48.7366 -48.7366 -24.7116 -24.7116 -24.6540 -24.6540 -22.3783 -22.3783 -22.3190 -22.3190 -22.1364 -22.1364 -22.0081 -22.0081 -6.3950 -6.3950 -5.9805 -5.9805 -5.8906 -5.8906 -5.8576 -5.8576 5.7519 5.7519 6.0941 6.0941 6.2363 6.2363 6.2459 6.2459 6.5915 6.5915 7.4342 7.4342 7.8893 7.8893 8.6545 8.6545 8.6560 8.6560 9.2618 9.2618 9.3574 9.3574 10.3071 10.3071 12.9919 12.9919 13.4057 13.4057 14.0220 14.0220 14.1220 14.1220 14.1342 14.1342 15.5716 15.5716 17.2994 17.2994 k = 0.0000 0.0000 0.4768 ( 2696 PWs) bands (ev): -48.7420 -48.7420 -48.7348 -48.7348 -24.7183 -24.7183 -24.6627 -24.6627 -22.3929 -22.3929 -22.3346 -22.3346 -22.1297 -22.1297 -22.0051 -22.0051 -6.3519 -6.3519 -6.0005 -6.0005 -5.9198 -5.9198 -5.8358 -5.8358 5.8047 5.8047 6.1397 6.1397 6.2486 6.2486 6.2508 6.2508 6.6521 6.6521 7.3622 7.3622 7.8091 7.8091 8.5908 8.5908 8.5939 8.5939 9.2751 9.2751 9.3676 9.3676 10.2788 10.2788 12.9831 12.9831 13.4780 13.4780 14.1232 14.1232 14.1446 14.1446 14.1546 14.1546 15.5123 15.5123 17.3445 17.3445 k = 0.0000 0.0000 0.4922 ( 2696 PWs) bands (ev): -48.7392 -48.7392 -48.7323 -48.7323 -24.7247 -24.7247 -24.6715 -24.6715 -22.4068 -22.4068 -22.3499 -22.3499 -22.1228 -22.1228 -22.0022 -22.0022 -6.3088 -6.3088 -6.0233 -6.0233 -5.9488 -5.9488 -5.8113 -5.8113 5.8556 5.8556 6.1721 6.1721 6.2536 6.2536 6.2767 6.2767 6.7144 6.7144 7.2955 7.2955 7.7326 7.7326 8.5255 8.5255 8.5303 8.5303 9.2878 9.2878 9.3772 9.3772 10.2466 10.2466 12.9779 12.9779 13.5524 13.5524 14.1673 14.1673 14.1743 14.1743 14.2258 14.2258 15.4520 15.4520 17.3874 17.3874 k = 0.0000 0.0000 0.5076 ( 2696 PWs) bands (ev): -48.7365 -48.7365 -48.7299 -48.7299 -24.7313 -24.7313 -24.6804 -24.6804 -22.4202 -22.4202 -22.3649 -22.3649 -22.1159 -22.1159 -21.9994 -21.9994 -6.2659 -6.2659 -6.0471 -6.0471 -5.9773 -5.9773 -5.7862 -5.7862 5.9040 5.9040 6.1931 6.1931 6.2609 6.2609 6.3108 6.3108 6.7782 6.7782 7.2354 7.2354 7.6602 7.6602 8.4592 8.4592 8.4655 8.4655 9.2997 9.2997 9.3858 9.3858 10.2105 10.2105 12.9765 12.9765 13.6287 13.6287 14.1898 14.1898 14.1941 14.1941 14.3289 14.3289 15.3907 15.3907 17.4279 17.4279 k = 0.0000 0.0000 0.5230 ( 2680 PWs) bands (ev): -48.7336 -48.7336 -48.7273 -48.7273 -24.7378 -24.7378 -24.6893 -24.6893 -22.4331 -22.4331 -22.3795 -22.3795 -22.1089 -22.1089 -21.9966 -21.9966 -6.2233 -6.2233 -6.0711 -6.0711 -6.0054 -6.0054 -5.7610 -5.7610 5.9494 5.9494 6.2086 6.2086 6.2703 6.2703 6.3457 6.3457 6.8437 6.8437 7.1833 7.1833 7.5926 7.5926 8.3922 8.3922 8.3999 8.3999 9.3105 9.3105 9.3935 9.3935 10.1704 10.1704 12.9789 12.9789 13.7068 13.7068 14.2124 14.2124 14.2134 14.2134 14.4326 14.4326 15.3286 15.3286 17.4657 17.4657 k = 0.0000 0.0000 0.5384 ( 2696 PWs) bands (ev): -48.7314 -48.7314 -48.7250 -48.7250 -24.7443 -24.7443 -24.6983 -24.6983 -22.4455 -22.4455 -22.3938 -22.3938 -22.1020 -22.1020 -21.9941 -21.9941 -6.1811 -6.1811 -6.0951 -6.0951 -6.0330 -6.0330 -5.7364 -5.7364 5.9912 5.9912 6.2225 6.2225 6.2818 6.2818 6.3757 6.3757 6.9108 6.9108 7.1409 7.1409 7.5301 7.5301 8.3249 8.3249 8.3339 8.3339 9.3203 9.3203 9.4000 9.4000 10.1264 10.1264 12.9853 12.9853 13.7865 13.7865 14.2321 14.2321 14.2349 14.2349 14.5365 14.5365 15.2659 15.2659 17.5008 17.5008 k = 0.0000 0.0000 0.5538 ( 2696 PWs) bands (ev): -48.7288 -48.7288 -48.7227 -48.7227 -24.7508 -24.7508 -24.7072 -24.7072 -22.4574 -22.4574 -22.4074 -22.4074 -22.0951 -22.0951 -21.9917 -21.9917 -6.1393 -6.1393 -6.1187 -6.1187 -6.0600 -6.0600 -5.7125 -5.7125 6.0289 6.0289 6.2364 6.2364 6.2955 6.2955 6.3971 6.3971 6.9794 6.9794 7.1101 7.1101 7.4734 7.4734 8.2573 8.2573 8.2677 8.2677 9.3290 9.3290 9.4053 9.4053 10.0785 10.0785 12.9957 12.9957 13.8676 13.8676 14.2503 14.2503 14.2577 14.2577 14.6399 14.6399 15.2031 15.2031 17.5330 17.5330 k = 0.0000 0.0000 0.5691 ( 2712 PWs) bands (ev): -48.7267 -48.7267 -48.7205 -48.7205 -24.7572 -24.7572 -24.7161 -24.7161 -22.4687 -22.4687 -22.4207 -22.4207 -22.0883 -22.0883 -21.9896 -21.9896 -6.1417 -6.1417 -6.0982 -6.0982 -6.0862 -6.0862 -5.6894 -5.6894 6.0619 6.0619 6.2507 6.2507 6.3112 6.3112 6.4083 6.4083 7.0494 7.0494 7.0919 7.0919 7.4231 7.4231 8.1898 8.1898 8.2015 8.2015 9.3366 9.3366 9.4096 9.4096 10.0268 10.0268 13.0099 13.0099 13.9495 13.9495 14.2678 14.2678 14.2812 14.2812 14.7416 14.7416 15.1410 15.1410 17.5620 17.5620 k = 0.0000 0.0000 0.5845 ( 2708 PWs) bands (ev): -48.7242 -48.7242 -48.7184 -48.7184 -24.7635 -24.7635 -24.7246 -24.7246 -22.4794 -22.4794 -22.4334 -22.4334 -22.0816 -22.0816 -21.9875 -21.9875 -6.1641 -6.1641 -6.1118 -6.1118 -6.0577 -6.0577 -5.6675 -5.6675 6.0895 6.0895 6.2652 6.2652 6.3290 6.3290 6.4093 6.4093 7.0864 7.0864 7.1208 7.1208 7.3796 7.3796 8.1225 8.1225 8.1353 8.1353 9.3432 9.3432 9.4128 9.4128 9.9715 9.9715 13.0280 13.0280 14.0311 14.0311 14.2845 14.2845 14.3063 14.3063 14.8383 14.8383 15.0829 15.0829 17.5877 17.5877 k = 0.0000 0.0000 0.5999 ( 2692 PWs) bands (ev): -48.7214 -48.7214 -48.7163 -48.7163 -24.7697 -24.7697 -24.7330 -24.7330 -22.4894 -22.4894 -22.4454 -22.4454 -22.0750 -22.0750 -21.9855 -21.9855 -6.1856 -6.1856 -6.1364 -6.1364 -6.0181 -6.0181 -5.6467 -5.6467 6.1115 6.1115 6.2786 6.2786 6.3487 6.3487 6.4027 6.4027 7.0924 7.0924 7.1936 7.1936 7.3434 7.3434 8.0555 8.0555 8.0695 8.0695 9.3489 9.3489 9.4150 9.4150 9.9127 9.9127 13.0498 13.0498 14.1103 14.1103 14.3004 14.3004 14.3350 14.3350 14.9115 14.9115 15.0466 15.0466 17.6100 17.6100 k = 0.0000 0.0000 0.6153 ( 2680 PWs) bands (ev): -48.7188 -48.7188 -48.7143 -48.7143 -24.7757 -24.7757 -24.7411 -24.7411 -22.4988 -22.4988 -22.4568 -22.4568 -22.0685 -22.0685 -21.9837 -21.9837 -6.2064 -6.2064 -6.1602 -6.1602 -5.9794 -5.9794 -5.6273 -5.6273 6.1274 6.1274 6.2877 6.2877 6.3703 6.3703 6.3937 6.3937 7.1075 7.1075 7.2670 7.2670 7.3153 7.3153 7.9891 7.9891 8.0041 8.0041 9.3537 9.3537 9.4163 9.4163 9.8507 9.8507 13.0753 13.0753 14.1828 14.1828 14.3155 14.3155 14.3714 14.3714 14.9041 14.9041 15.0891 15.0891 17.6288 17.6288 k = 0.0000 0.0000 0.6307 ( 2680 PWs) bands (ev): -48.7166 -48.7166 -48.7125 -48.7125 -24.7814 -24.7814 -24.7492 -24.7492 -22.5076 -22.5076 -22.4678 -22.4678 -22.0621 -22.0621 -21.9822 -21.9822 -6.2261 -6.2261 -6.1829 -6.1829 -5.9417 -5.9417 -5.6093 -5.6093 6.1372 6.1372 6.2864 6.2864 6.3909 6.3909 6.3938 6.3938 7.1290 7.1290 7.2917 7.2917 7.3446 7.3446 7.9234 7.9234 7.9393 7.9393 9.3577 9.3577 9.4168 9.4168 9.7857 9.7857 13.1042 13.1042 14.2424 14.2424 14.3296 14.3296 14.4216 14.4216 14.8499 14.8499 15.1759 15.1759 17.6439 17.6439 k = 0.0000 0.0000 0.6461 ( 2680 PWs) bands (ev): -48.7145 -48.7145 -48.7107 -48.7107 -24.7869 -24.7869 -24.7569 -24.7569 -22.5158 -22.5158 -22.4783 -22.4783 -22.0559 -22.0559 -21.9810 -21.9810 -6.2449 -6.2449 -6.2046 -6.2046 -5.9051 -5.9051 -5.5928 -5.5928 6.1412 6.1412 6.2714 6.2714 6.3998 6.3998 6.4190 6.4190 7.1547 7.1547 7.2779 7.2779 7.4207 7.4207 7.8585 7.8585 7.8752 7.8752 9.3611 9.3611 9.4165 9.4165 9.7177 9.7177 13.1365 13.1365 14.2856 14.2856 14.3427 14.3427 14.4889 14.4889 14.7869 14.7869 15.2685 15.2685 17.6551 17.6551 k = 0.0000 0.0000 0.6614 ( 2680 PWs) bands (ev): -48.7125 -48.7125 -48.7090 -48.7090 -24.7922 -24.7922 -24.7644 -24.7644 -22.5233 -22.5233 -22.4881 -22.4881 -22.0498 -22.0498 -21.9799 -21.9799 -6.2625 -6.2625 -6.2252 -6.2252 -5.8697 -5.8697 -5.5779 -5.5779 6.1399 6.1399 6.2470 6.2470 6.4182 6.4182 6.4459 6.4459 7.1824 7.1824 7.2701 7.2701 7.4983 7.4983 7.7947 7.7947 7.8119 7.8119 9.3639 9.3639 9.4155 9.4155 9.6472 9.6472 13.1719 13.1719 14.3159 14.3159 14.3545 14.3545 14.5696 14.5696 14.7216 14.7216 15.3598 15.3598 17.6626 17.6626 k = 0.0000 0.0000 0.6768 ( 2668 PWs) bands (ev): -48.7106 -48.7106 -48.7072 -48.7072 -24.7970 -24.7970 -24.7716 -24.7716 -22.5300 -22.5300 -22.4973 -22.4973 -22.0439 -22.0439 -21.9792 -21.9792 -6.2790 -6.2790 -6.2446 -6.2446 -5.8356 -5.8356 -5.5646 -5.5646 6.1340 6.1340 6.2184 6.2184 6.4420 6.4420 6.4743 6.4743 7.2108 7.2108 7.2680 7.2680 7.5767 7.5767 7.7325 7.7325 7.7496 7.7496 9.3662 9.3662 9.4140 9.4140 9.5743 9.5743 13.2103 13.2103 14.3384 14.3384 14.3650 14.3650 14.6558 14.6558 14.6581 14.6581 15.4476 15.4476 17.6661 17.6661 k = 0.0000 0.0000 0.6922 ( 2672 PWs) bands (ev): -48.7089 -48.7089 -48.7059 -48.7059 -24.8016 -24.8016 -24.7783 -24.7783 -22.5362 -22.5362 -22.5060 -22.5060 -22.0381 -22.0381 -21.9786 -21.9786 -6.2942 -6.2942 -6.2627 -6.2627 -5.8029 -5.8029 -5.5531 -5.5531 6.1244 6.1244 6.1885 6.1885 6.4693 6.4693 6.5042 6.5042 7.2386 7.2386 7.2704 7.2704 7.6494 7.6494 7.6785 7.6785 7.6885 7.6885 9.3681 9.3681 9.4120 9.4120 9.4994 9.4994 13.2515 13.2515 14.3564 14.3564 14.3735 14.3735 14.5903 14.5903 14.7510 14.7510 15.5303 15.5303 17.6657 17.6657 k = 0.0000 0.0000 0.7076 ( 2680 PWs) bands (ev): -48.7074 -48.7074 -48.7046 -48.7046 -24.8059 -24.8059 -24.7848 -24.7848 -22.5416 -22.5416 -22.5140 -22.5140 -22.0327 -22.0327 -21.9784 -21.9784 -6.3082 -6.3082 -6.2796 -6.2796 -5.7718 -5.7718 -5.5435 -5.5435 6.1120 6.1120 6.1591 6.1591 6.4990 6.4990 6.5353 6.5353 7.2651 7.2651 7.2764 7.2764 7.6090 7.6090 7.6286 7.6286 7.7404 7.7404 9.3697 9.3697 9.4077 9.4077 9.4243 9.4243 13.2954 13.2954 14.3715 14.3715 14.3786 14.3786 14.5271 14.5271 14.8463 14.8463 15.6065 15.6065 17.6615 17.6615 k = 0.0000 0.0000 0.7230 ( 2672 PWs) bands (ev): -48.7059 -48.7059 -48.7032 -48.7032 -24.8096 -24.8096 -24.7907 -24.7907 -22.5464 -22.5464 -22.5214 -22.5214 -22.0273 -22.0273 -21.9784 -21.9784 -6.3209 -6.3209 -6.2952 -6.2952 -5.7421 -5.7421 -5.5357 -5.5357 6.0979 6.0979 6.1312 6.1312 6.5305 6.5305 6.5674 6.5674 7.2847 7.2847 7.2897 7.2897 7.5522 7.5522 7.5703 7.5703 7.8217 7.8217 9.3425 9.3425 9.3711 9.3711 9.4081 9.4081 13.3418 13.3418 14.3749 14.3749 14.3844 14.3844 14.4716 14.4716 14.9428 14.9428 15.6746 15.6746 17.6535 17.6535 k = 0.0000 0.0000 0.7383 ( 2672 PWs) bands (ev): -48.7045 -48.7045 -48.7021 -48.7021 -24.8130 -24.8130 -24.7962 -24.7962 -22.5506 -22.5506 -22.5282 -22.5282 -22.0223 -22.0223 -21.9786 -21.9786 -6.3322 -6.3322 -6.3093 -6.3093 -5.7141 -5.7141 -5.5298 -5.5298 6.0828 6.0828 6.1054 6.1054 6.5634 6.5634 6.6004 6.6004 7.2938 7.2938 7.3118 7.3118 7.4980 7.4980 7.5138 7.5138 7.9043 7.9043 9.2625 9.2625 9.3723 9.3723 9.4051 9.4051 13.3905 13.3905 14.3471 14.3471 14.3956 14.3956 14.4393 14.4393 15.0395 15.0395 15.7331 15.7331 17.6351 17.6351 k = 0.0000 0.0000 0.7537 ( 2672 PWs) bands (ev): -48.7032 -48.7032 -48.7012 -48.7012 -24.8159 -24.8159 -24.8013 -24.8013 -22.5540 -22.5540 -22.5344 -22.5344 -22.0175 -22.0175 -21.9792 -21.9792 -6.3421 -6.3421 -6.3221 -6.3221 -5.6878 -5.6878 -5.5259 -5.5259 6.0677 6.0677 6.0821 6.0821 6.5972 6.5972 6.6337 6.6337 7.3017 7.3017 7.3310 7.3310 7.4482 7.4482 7.4597 7.4597 7.9878 7.9878 9.1808 9.1808 9.3735 9.3735 9.4022 9.4022 13.4414 13.4414 14.2939 14.2939 14.4054 14.4054 14.4316 14.4316 15.1357 15.1357 15.7804 15.7804 17.5853 17.5853 k = 0.0000 0.0000 0.7691 ( 2672 PWs) bands (ev): -48.7021 -48.7021 -48.7004 -48.7004 -24.8184 -24.8184 -24.8058 -24.8058 -22.5569 -22.5569 -22.5399 -22.5399 -22.0129 -22.0129 -21.9800 -21.9800 -6.3506 -6.3506 -6.3335 -6.3335 -5.6633 -5.6633 -5.5241 -5.5241 6.0531 6.0531 6.0616 6.0616 6.6315 6.6315 6.6668 6.6668 7.3041 7.3041 7.3460 7.3460 7.4070 7.4070 7.4093 7.4093 8.0721 8.0721 9.0980 9.0980 9.3746 9.3746 9.3993 9.3993 13.4943 13.4943 14.2317 14.2317 14.4138 14.4138 14.4322 14.4322 15.2305 15.2305 15.8147 15.8147 17.5433 17.5433 k = 0.0000 0.0000 0.7845 ( 2656 PWs) bands (ev): -48.7011 -48.7011 -48.6994 -48.6994 -24.8202 -24.8202 -24.8099 -24.8099 -22.5589 -22.5589 -22.5448 -22.5448 -22.0085 -22.0085 -21.9811 -21.9811 -6.3576 -6.3576 -6.3433 -6.3433 -5.6406 -5.6406 -5.5243 -5.5243 6.0397 6.0397 6.0442 6.0442 6.6657 6.6657 6.6990 6.6990 7.2931 7.2931 7.3446 7.3446 7.3754 7.3754 7.3825 7.3825 8.1569 8.1569 9.0142 9.0142 9.3758 9.3758 9.3964 9.3964 13.5491 13.5491 14.1672 14.1672 14.4209 14.4209 14.4345 14.4345 15.3231 15.3231 15.8348 15.8348 17.5103 17.5103 k = 0.0000 0.0000 0.7999 ( 2664 PWs) bands (ev): -48.7005 -48.7005 -48.6989 -48.6989 -24.8216 -24.8216 -24.8134 -24.8134 -22.5604 -22.5604 -22.5492 -22.5492 -22.0045 -22.0045 -21.9826 -21.9826 -6.3631 -6.3631 -6.3517 -6.3517 -5.6198 -5.6198 -5.5265 -5.5265 6.0280 6.0280 6.0299 6.0299 6.6988 6.6988 6.7291 6.7291 7.2675 7.2675 7.3074 7.3074 7.3766 7.3766 7.3781 7.3781 8.2422 8.2422 8.9297 8.9297 9.3771 9.3771 9.3936 9.3936 13.6056 13.6056 14.1021 14.1021 14.4269 14.4269 14.4370 14.4370 15.4123 15.4123 15.8397 15.8397 17.4872 17.4872 k = 0.0000 0.0000 0.8153 ( 2664 PWs) bands (ev): -48.6998 -48.6998 -48.6986 -48.6986 -24.8225 -24.8225 -24.8164 -24.8164 -22.5613 -22.5613 -22.5528 -22.5528 -22.0007 -22.0007 -21.9843 -21.9843 -6.3671 -6.3671 -6.3585 -6.3585 -5.6010 -5.6010 -5.5309 -5.5309 6.0184 6.0184 6.0188 6.0188 6.7296 6.7296 6.7553 6.7553 7.2383 7.2383 7.2683 7.2683 7.3794 7.3794 7.3847 7.3847 8.3280 8.3280 8.8444 8.8444 9.3785 9.3785 9.3909 9.3909 13.6636 13.6636 14.0371 14.0371 14.4317 14.4317 14.4389 14.4389 15.4972 15.4972 15.8290 15.8290 17.4741 17.4741 k = 0.0000 0.0000 0.8306 ( 2664 PWs) bands (ev): -48.6992 -48.6992 -48.6984 -48.6984 -24.8229 -24.8229 -24.8188 -24.8188 -22.5615 -22.5615 -22.5558 -22.5558 -21.9972 -21.9972 -21.9863 -21.9863 -6.3695 -6.3695 -6.3638 -6.3638 -5.5842 -5.5842 -5.5374 -5.5374 6.0110 6.0110 6.0111 6.0111 6.7562 6.7562 6.7754 6.7754 7.2142 7.2142 7.2353 7.2353 7.3842 7.3842 7.3894 7.3894 8.4140 8.4140 8.7587 8.7587 9.3801 9.3801 9.3884 9.3884 13.7231 13.7231 13.9726 13.9726 14.4354 14.4354 14.4401 14.4401 15.5764 15.5764 15.8033 15.8033 17.4705 17.4705 k = 0.0000 0.0000 0.8460 ( 2660 PWs) bands (ev): -48.6987 -48.6987 -48.6983 -48.6983 -24.8227 -24.8227 -24.8207 -24.8207 -22.5610 -22.5610 -22.5582 -22.5582 -21.9941 -21.9941 -21.9886 -21.9886 -6.3704 -6.3704 -6.3676 -6.3676 -5.5693 -5.5693 -5.5459 -5.5459 6.0064 6.0064 6.0066 6.0066 6.7762 6.7762 6.7866 6.7866 7.2002 7.2002 7.2113 7.2113 7.3884 7.3884 7.3914 7.3914 8.5002 8.5002 8.6727 8.6727 9.3819 9.3819 9.3860 9.3860 13.7839 13.7839 13.9088 13.9088 14.4381 14.4381 14.4404 14.4404 15.6483 15.6483 15.7635 15.7635 17.4753 17.4753 k = 0.0000 0.0000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8220 -24.8220 -24.8220 -24.8220 -22.5599 -22.5599 -22.5599 -22.5599 -21.9912 -21.9912 -21.9912 -21.9912 -6.3698 -6.3698 -6.3698 -6.3698 -5.5566 -5.5566 -5.5566 -5.5566 6.0050 6.0050 6.0050 6.0050 6.7869 6.7869 6.7869 6.7869 7.1991 7.1991 7.1991 7.1991 7.3910 7.3910 7.3910 7.3910 8.5865 8.5865 8.5865 8.5865 9.3838 9.3838 9.3838 9.3838 13.8458 13.8458 13.8458 13.8458 14.4398 14.4398 14.4398 14.4398 15.7113 15.7113 15.7113 15.7113 17.4870 17.4870 k = 0.0000 0.0000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8220 -24.8220 -24.8220 -24.8220 -22.5599 -22.5599 -22.5599 -22.5599 -21.9912 -21.9912 -21.9912 -21.9912 -6.3698 -6.3698 -6.3698 -6.3698 -5.5566 -5.5566 -5.5566 -5.5566 6.0050 6.0050 6.0050 6.0050 6.7869 6.7869 6.7869 6.7869 7.1991 7.1991 7.1991 7.1991 7.3910 7.3910 7.3910 7.3910 8.5865 8.5865 8.5865 8.5865 9.3838 9.3838 9.3838 9.3838 13.8458 13.8458 13.8458 13.8458 14.4398 14.4398 14.4398 14.4398 15.7113 15.7113 15.7113 15.7113 17.4870 17.4870 k = 0.0000 0.0152 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8227 -24.8227 -24.8212 -24.8212 -22.5612 -22.5612 -22.5586 -22.5586 -21.9914 -21.9914 -21.9909 -21.9909 -6.3711 -6.3711 -6.3700 -6.3700 -5.5579 -5.5579 -5.5533 -5.5533 6.0012 6.0012 6.0039 6.0039 6.7831 6.7831 6.7928 6.7928 7.1710 7.1710 7.1940 7.1940 7.3981 7.3981 7.4213 7.4213 8.5880 8.5880 8.5888 8.5888 9.3821 9.3821 9.3830 9.3830 13.8363 13.8363 13.8457 13.8457 14.4378 14.4378 14.4480 14.4480 15.7105 15.7105 15.7119 15.7119 17.4850 17.4850 k = 0.0000 0.0303 0.8614 ( 2670 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8235 -24.8235 -24.8205 -24.8205 -22.5626 -22.5626 -22.5573 -22.5573 -21.9917 -21.9917 -21.9907 -21.9907 -6.3741 -6.3741 -6.3719 -6.3719 -5.5573 -5.5573 -5.5481 -5.5481 5.9928 5.9928 5.9979 5.9979 6.7811 6.7811 6.8001 6.8001 7.1277 7.1277 7.1612 7.1612 7.4372 7.4372 7.4712 7.4712 8.5932 8.5932 8.5949 8.5949 9.3778 9.3778 9.3797 9.3797 13.8178 13.8178 13.8359 13.8359 14.4422 14.4422 14.4619 14.4619 15.7095 15.7095 15.7124 15.7124 17.4816 17.4816 k = 0.0000 0.0455 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8242 -24.8242 -24.8198 -24.8198 -22.5640 -22.5640 -22.5560 -22.5560 -21.9920 -21.9920 -21.9904 -21.9904 -6.3785 -6.3785 -6.3754 -6.3754 -5.5548 -5.5548 -5.5411 -5.5411 5.9801 5.9801 5.9874 5.9874 6.7793 6.7793 6.8065 6.8065 7.0831 7.0831 7.1202 7.1202 7.4904 7.4904 7.5291 7.5291 8.6022 8.6022 8.6047 8.6047 9.3709 9.3709 9.3738 9.3738 13.7915 13.7915 13.8169 13.8169 14.4525 14.4525 14.4804 14.4804 15.7084 15.7084 15.7128 15.7128 17.4767 17.4767 k = 0.0000 0.0606 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8250 -24.8250 -24.8191 -24.8191 -22.5653 -22.5653 -22.5546 -22.5546 -21.9922 -21.9922 -21.9902 -21.9902 -6.3844 -6.3844 -6.3804 -6.3804 -5.5504 -5.5504 -5.5324 -5.5324 5.9637 5.9637 5.9727 5.9727 6.7748 6.7748 6.8074 6.8074 7.0457 7.0457 7.0818 7.0818 7.5489 7.5489 7.5904 7.5904 8.6150 8.6150 8.6184 8.6184 9.3616 9.3616 9.3653 9.3653 13.7584 13.7584 13.7898 13.7898 14.4678 14.4678 14.5023 14.5023 15.7072 15.7072 15.7130 15.7130 17.4705 17.4705 k = 0.0000 0.0758 0.8614 ( 2684 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8257 -24.8257 -24.8184 -24.8184 -22.5667 -22.5667 -22.5534 -22.5534 -21.9925 -21.9925 -21.9899 -21.9899 -6.3915 -6.3915 -6.3868 -6.3868 -5.5443 -5.5443 -5.5221 -5.5221 5.9440 5.9440 5.9544 5.9544 6.7636 6.7636 6.7963 6.7963 7.0231 7.0231 7.0528 7.0528 7.6097 7.6097 7.6532 7.6532 8.6314 8.6314 8.6357 8.6357 9.3499 9.3499 9.3544 9.3544 13.7198 13.7198 13.7557 13.7557 14.4868 14.4868 14.5266 14.5266 15.7057 15.7057 15.7131 15.7131 17.4630 17.4630 k = 0.0000 0.0909 0.8614 ( 2684 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8265 -24.8265 -24.8178 -24.8178 -22.5680 -22.5680 -22.5521 -22.5521 -21.9926 -21.9926 -21.9896 -21.9896 -6.3998 -6.3998 -6.3944 -6.3944 -5.5367 -5.5367 -5.5103 -5.5103 5.9218 5.9218 5.9330 5.9330 6.7424 6.7424 6.7695 6.7695 7.0196 7.0196 7.0374 7.0374 7.6711 7.6711 7.7165 7.7165 8.6516 8.6516 8.6567 8.6567 9.3357 9.3357 9.3410 9.3410 13.6765 13.6765 13.7159 13.7159 14.5084 14.5084 14.5524 14.5524 15.7041 15.7041 15.7130 15.7130 17.4543 17.4543 k = 0.0000 0.1061 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8272 -24.8272 -24.8171 -24.8171 -22.5693 -22.5693 -22.5508 -22.5508 -21.9928 -21.9928 -21.9893 -21.9893 -6.4091 -6.4091 -6.4032 -6.4032 -5.5275 -5.5275 -5.4973 -5.4973 5.8975 5.8975 5.9092 5.9092 6.7103 6.7103 6.7298 6.7298 7.0324 7.0324 7.0367 7.0367 7.7325 7.7325 7.7797 7.7797 8.6753 8.6753 8.6813 8.6813 9.3193 9.3193 9.3252 9.3252 13.6294 13.6294 13.6713 13.6713 14.5319 14.5319 14.5791 14.5791 15.7024 15.7024 15.7128 15.7128 17.4445 17.4445 k = 0.0000 0.1212 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8279 -24.8279 -24.8164 -24.8164 -22.5706 -22.5706 -22.5496 -22.5496 -21.9930 -21.9930 -21.9890 -21.9890 -6.4192 -6.4192 -6.4130 -6.4130 -5.5171 -5.5171 -5.4833 -5.4833 5.8716 5.8716 5.8836 5.8836 6.6696 6.6696 6.6826 6.6826 7.0480 7.0480 7.0559 7.0559 7.7932 7.7932 7.8423 7.8423 8.7026 8.7026 8.7095 8.7095 9.3006 9.3006 9.3071 9.3071 13.5791 13.5791 13.6227 13.6227 14.5565 14.5565 14.6059 14.6059 15.7005 15.7005 15.7124 15.7124 17.4336 17.4336 k = 0.0000 0.1364 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8286 -24.8286 -24.8157 -24.8157 -22.5718 -22.5718 -22.5484 -22.5484 -21.9932 -21.9932 -21.9887 -21.9887 -6.4300 -6.4300 -6.4236 -6.4236 -5.5056 -5.5056 -5.4683 -5.4683 5.8447 5.8447 5.8566 5.8566 6.6237 6.6237 6.6320 6.6320 7.0683 7.0683 7.0860 7.0860 7.8528 7.8528 7.9039 7.9039 8.7332 8.7332 8.7411 8.7411 9.2797 9.2797 9.2867 9.2867 13.5261 13.5261 13.5710 13.5710 14.5815 14.5815 14.6327 14.6327 15.6985 15.6985 15.7119 15.7119 17.4219 17.4219 k = 0.0000 0.1515 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8293 -24.8293 -24.8151 -24.8151 -22.5730 -22.5730 -22.5472 -22.5472 -21.9933 -21.9933 -21.9884 -21.9884 -6.4414 -6.4414 -6.4349 -6.4349 -5.4932 -5.4932 -5.4526 -5.4526 5.8170 5.8170 5.8286 5.8286 6.5748 6.5748 6.5800 6.5800 7.0947 7.0947 7.1204 7.1204 7.9111 7.9111 7.9643 7.9643 8.7672 8.7672 8.7760 8.7760 9.2568 9.2568 9.2641 9.2641 13.4708 13.4708 13.5165 13.5165 14.6066 14.6066 14.6591 14.6591 15.6963 15.6963 15.7113 15.7113 17.4093 17.4093 k = 0.0000 0.1667 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8299 -24.8299 -24.8145 -24.8145 -22.5743 -22.5743 -22.5461 -22.5461 -21.9934 -21.9934 -21.9881 -21.9881 -6.4531 -6.4531 -6.4466 -6.4466 -5.4801 -5.4801 -5.4363 -5.4363 5.7889 5.7889 5.8001 5.8001 6.5248 6.5248 6.5280 6.5280 7.1255 7.1255 7.1579 7.1579 7.9677 7.9677 8.0232 8.0232 8.8043 8.8043 8.8141 8.8141 9.2320 9.2320 9.2394 9.2394 13.4136 13.4136 13.4599 13.4599 14.6314 14.6314 14.6849 14.6849 15.6939 15.6939 15.7106 15.7106 17.3961 17.3961 k = 0.0000 0.1818 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8306 -24.8306 -24.8139 -24.8139 -22.5755 -22.5755 -22.5450 -22.5450 -21.9936 -21.9936 -21.9878 -21.9878 -6.4651 -6.4651 -6.4588 -6.4588 -5.4664 -5.4664 -5.4197 -5.4197 5.7608 5.7608 5.7714 5.7714 6.4746 6.4746 6.4766 6.4766 7.1596 7.1596 7.1976 7.1976 8.0224 8.0224 8.0802 8.0802 8.8444 8.8444 8.8551 8.8551 9.2054 9.2054 9.2129 9.2129 13.3549 13.3549 13.4016 13.4016 14.6558 14.6558 14.7098 14.7098 15.6914 15.6914 15.7097 15.7097 17.3824 17.3824 k = 0.0000 0.1970 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8312 -24.8312 -24.8133 -24.8133 -22.5766 -22.5766 -22.5439 -22.5439 -21.9937 -21.9937 -21.9875 -21.9875 -6.4773 -6.4773 -6.4711 -6.4711 -5.4522 -5.4522 -5.4028 -5.4028 5.7328 5.7328 5.7427 5.7427 6.4250 6.4250 6.4263 6.4263 7.1960 7.1960 7.2390 7.2390 8.0750 8.0750 8.1352 8.1352 8.8870 8.8870 8.8988 8.8988 9.1771 9.1771 9.1845 9.1845 13.2950 13.2950 13.3418 13.3418 14.6795 14.6795 14.7339 14.7339 15.6888 15.6888 15.7088 15.7088 17.3682 17.3682 k = 0.0000 0.2121 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8319 -24.8319 -24.8128 -24.8128 -22.5777 -22.5777 -22.5429 -22.5429 -21.9938 -21.9938 -21.9872 -21.9872 -6.4894 -6.4894 -6.4836 -6.4836 -5.4379 -5.4379 -5.3858 -5.3858 5.7051 5.7051 5.7144 5.7144 6.3765 6.3765 6.3775 6.3775 7.2344 7.2344 7.2818 7.2818 8.1253 8.1253 8.1880 8.1880 8.9319 8.9319 8.9448 8.9448 9.1475 9.1475 9.1547 9.1547 13.2341 13.2341 13.2810 13.2810 14.7024 14.7024 14.7571 14.7571 15.6861 15.6861 15.7077 15.7077 17.3538 17.3538 k = 0.0000 0.2273 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8325 -24.8325 -24.8122 -24.8122 -22.5788 -22.5788 -22.5419 -22.5419 -21.9939 -21.9939 -21.9869 -21.9869 -6.5015 -6.5015 -6.4960 -6.4960 -5.4234 -5.4234 -5.3689 -5.3689 5.6780 5.6780 5.6866 5.6866 6.3294 6.3294 6.3303 6.3303 7.2743 7.2743 7.3258 7.3258 8.1730 8.1730 8.2384 8.2384 8.9784 8.9784 8.9927 8.9927 9.1167 9.1167 9.1239 9.1239 13.1726 13.1726 13.2195 13.2195 14.7244 14.7244 14.7791 14.7791 15.6833 15.6833 15.7065 15.7065 17.3392 17.3392 k = 0.0000 0.2424 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8331 -24.8331 -24.8117 -24.8117 -22.5798 -22.5798 -22.5410 -22.5410 -21.9939 -21.9939 -21.9866 -21.9866 -6.5134 -6.5134 -6.5082 -6.5082 -5.4089 -5.4089 -5.3522 -5.3522 5.6516 5.6516 5.6594 5.6594 6.2839 6.2839 6.2849 6.2849 7.3153 7.3153 7.3706 7.3706 8.2180 8.2180 8.2861 8.2861 9.0236 9.0236 9.0410 9.0410 9.0862 9.0862 9.0948 9.0948 13.1108 13.1108 13.1576 13.1576 14.7455 14.7455 14.8001 14.8001 15.6804 15.6804 15.7053 15.7053 17.3246 17.3246 k = 0.0000 0.2576 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8336 -24.8336 -24.8112 -24.8112 -22.5808 -22.5808 -22.5401 -22.5401 -21.9940 -21.9940 -21.9863 -21.9863 -6.5250 -6.5250 -6.5203 -6.5203 -5.3947 -5.3947 -5.3358 -5.3358 5.6260 5.6260 5.6331 5.6331 6.2404 6.2404 6.2416 6.2416 7.3574 7.3574 7.4163 7.4163 8.2600 8.2600 8.3311 8.3311 9.0407 9.0407 9.0483 9.0483 9.0940 9.0940 9.0973 9.0973 13.0490 13.0490 13.0957 13.0957 14.7655 14.7655 14.8199 14.8199 15.6775 15.6775 15.7039 15.7039 17.3101 17.3101 k = 0.0000 0.2727 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8342 -24.8342 -24.8108 -24.8108 -22.5817 -22.5817 -22.5393 -22.5393 -21.9941 -21.9941 -21.9861 -21.9861 -6.5362 -6.5362 -6.5319 -6.5319 -5.3807 -5.3807 -5.3198 -5.3198 5.6014 5.6014 5.6079 5.6079 6.1988 6.1988 6.2004 6.2004 7.4003 7.4003 7.4626 7.4626 8.2988 8.2988 8.3729 8.3729 9.0130 9.0130 9.0164 9.0164 9.1381 9.1381 9.1480 9.1480 12.9874 12.9874 13.0342 13.0342 14.7844 14.7844 14.8386 14.8386 15.6745 15.6745 15.7025 15.7025 17.2959 17.2959 k = 0.0000 0.2879 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8347 -24.8347 -24.8104 -24.8104 -22.5827 -22.5827 -22.5385 -22.5385 -21.9941 -21.9941 -21.9858 -21.9858 -6.5471 -6.5471 -6.5432 -6.5432 -5.3671 -5.3671 -5.3043 -5.3043 5.5780 5.5780 5.5837 5.5837 6.1595 6.1595 6.1614 6.1614 7.4438 7.4438 7.5095 7.5095 8.3341 8.3341 8.4114 8.4114 8.9787 8.9787 8.9832 8.9832 9.1889 9.1889 9.2004 9.2004 12.9266 12.9266 12.9732 12.9732 14.8023 14.8023 14.8562 14.8562 15.6715 15.6715 15.7011 15.7011 17.2819 17.2819 k = 0.0000 0.3030 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8352 -24.8352 -24.8100 -24.8100 -22.5835 -22.5835 -22.5377 -22.5377 -21.9942 -21.9942 -21.9856 -21.9856 -6.5574 -6.5574 -6.5540 -6.5540 -5.3540 -5.3540 -5.2895 -5.2895 5.5557 5.5557 5.5607 5.5607 6.1224 6.1224 6.1248 6.1248 7.4877 7.4877 7.5569 7.5569 8.3655 8.3655 8.4461 8.4461 8.9434 8.9434 8.9502 8.9502 9.2406 9.2406 9.2529 9.2529 12.8668 12.8668 12.9134 12.9134 14.8189 14.8189 14.8725 14.8725 15.6685 15.6685 15.6996 15.6996 17.2684 17.2684 k = 0.0000 0.3182 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8356 -24.8356 -24.8096 -24.8096 -22.5843 -22.5843 -22.5370 -22.5370 -21.9942 -21.9942 -21.9853 -21.9853 -6.5672 -6.5672 -6.5642 -6.5642 -5.3415 -5.3415 -5.2754 -5.2754 5.5347 5.5347 5.5391 5.5391 6.0877 6.0877 6.0905 6.0905 7.5321 7.5321 7.6047 7.6047 8.3925 8.3925 8.4763 8.4763 8.9084 8.9084 8.9182 8.9182 9.2922 9.2922 9.3049 9.3049 12.8085 12.8085 12.8550 12.8550 14.8344 14.8344 14.8877 14.8877 15.6656 15.6656 15.6981 15.6981 17.2555 17.2555 k = 0.0000 0.3333 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8360 -24.8360 -24.8093 -24.8093 -22.5850 -22.5850 -22.5364 -22.5364 -21.9942 -21.9942 -21.9851 -21.9851 -6.5763 -6.5763 -6.5738 -6.5738 -5.3297 -5.3297 -5.2621 -5.2621 5.5150 5.5150 5.5189 5.5189 6.0556 6.0556 6.0588 6.0588 7.5765 7.5765 7.6529 7.6529 8.4145 8.4145 8.5012 8.5012 8.8750 8.8750 8.8880 8.8880 9.3430 9.3430 9.3559 9.3559 12.7520 12.7520 12.7986 12.7986 14.8488 14.8488 14.9016 14.9016 15.6627 15.6627 15.6966 15.6966 17.2433 17.2433 k = 0.0000 0.3485 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8364 -24.8364 -24.8089 -24.8089 -22.5856 -22.5856 -22.5358 -22.5358 -21.9942 -21.9942 -21.9849 -21.9849 -6.5849 -6.5849 -6.5828 -6.5828 -5.3186 -5.3186 -5.2497 -5.2497 5.4968 5.4968 5.5002 5.5002 6.0260 6.0260 6.0297 6.0297 7.6210 7.6210 7.7012 7.7012 8.4306 8.4306 8.5194 8.5194 8.8447 8.8447 8.8606 8.8606 9.3922 9.3922 9.4052 9.4052 12.6979 12.6979 12.7445 12.7445 14.8619 14.8619 14.9143 14.9143 15.6600 15.6600 15.6952 15.6952 17.2317 17.2317 k = 0.0000 0.3636 0.8614 ( 2666 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8367 -24.8367 -24.8086 -24.8086 -22.5862 -22.5862 -22.5352 -22.5352 -21.9942 -21.9942 -21.9847 -21.9847 -6.5927 -6.5927 -6.5910 -6.5910 -5.3084 -5.3084 -5.2383 -5.2383 5.4802 5.4802 5.4830 5.4830 5.9990 5.9990 6.0032 6.0032 7.6652 7.6652 7.7496 7.7496 8.4401 8.4401 8.5291 8.5291 8.8193 8.8193 8.8370 8.8370 9.4393 9.4393 9.4523 9.4523 12.6466 12.6466 12.6932 12.6932 14.8738 14.8738 14.9259 14.9259 15.6573 15.6573 15.6938 15.6938 17.2210 17.2210 k = 0.0000 0.3788 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8370 -24.8370 -24.8083 -24.8083 -22.5868 -22.5868 -22.5347 -22.5347 -21.9942 -21.9942 -21.9845 -21.9845 -6.5998 -6.5998 -6.5984 -6.5984 -5.2990 -5.2990 -5.2278 -5.2278 5.4651 5.4651 5.4675 5.4675 5.9748 5.9748 5.9793 5.9793 7.7088 7.7088 7.7979 7.7979 8.4425 8.4425 8.5286 8.5286 8.8008 8.8008 8.8179 8.8179 9.4838 9.4838 9.4967 9.4967 12.5987 12.5987 12.6454 12.6454 14.8845 14.8845 14.9362 14.9362 15.6549 15.6549 15.6925 15.6925 17.2113 17.2113 k = 0.0000 0.3939 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8373 -24.8373 -24.8081 -24.8081 -22.5873 -22.5873 -22.5343 -22.5343 -21.9943 -21.9943 -21.9844 -21.9844 -6.6061 -6.6061 -6.6051 -6.6051 -5.2907 -5.2907 -5.2185 -5.2185 5.4516 5.4516 5.4536 5.4536 5.9533 5.9533 5.9582 5.9582 7.7516 7.7516 7.8459 7.8459 8.4375 8.4375 8.5172 8.5172 8.7901 8.7901 8.8039 8.8039 9.5249 9.5249 9.5377 9.5377 12.5546 12.5546 12.6014 12.6014 14.8939 14.8939 14.9453 14.9453 15.6527 15.6527 15.6912 15.6912 17.2025 17.2025 k = 0.0000 0.4091 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8376 -24.8376 -24.8079 -24.8079 -22.5877 -22.5877 -22.5339 -22.5339 -21.9943 -21.9943 -21.9843 -21.9843 -6.6117 -6.6117 -6.6109 -6.6109 -5.2833 -5.2833 -5.2103 -5.2103 5.4399 5.4399 5.4415 5.4415 5.9345 5.9345 5.9398 5.9398 7.7930 7.7930 7.8934 7.8934 8.4260 8.4260 8.4961 8.4961 8.7862 8.7862 8.7948 8.7948 9.5620 9.5620 9.5748 9.5748 12.5149 12.5149 12.5619 12.5619 14.9021 14.9021 14.9532 14.9532 15.6507 15.6507 15.6901 15.6901 17.1947 17.1947 k = 0.0000 0.4242 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8378 -24.8378 -24.8078 -24.8078 -22.5881 -22.5881 -22.5336 -22.5336 -21.9943 -21.9943 -21.9842 -21.9842 -6.6164 -6.6164 -6.6159 -6.6159 -5.2770 -5.2770 -5.2033 -5.2033 5.4298 5.4298 5.4312 5.4312 5.9186 5.9186 5.9242 5.9242 7.8323 7.8323 7.9398 7.9398 8.4094 8.4094 8.4679 8.4679 8.7870 8.7870 8.7896 8.7896 9.5947 9.5947 9.6073 9.6073 12.4803 12.4803 12.5273 12.5273 14.9090 14.9090 14.9598 14.9598 15.6489 15.6489 15.6891 15.6891 17.1881 17.1881 k = 0.0000 0.4394 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8380 -24.8380 -24.8076 -24.8076 -22.5884 -22.5884 -22.5334 -22.5334 -21.9943 -21.9943 -21.9841 -21.9841 -6.6203 -6.6203 -6.6200 -6.6200 -5.2718 -5.2718 -5.1975 -5.1975 5.4216 5.4216 5.4227 5.4227 5.9056 5.9056 5.9114 5.9114 7.8685 7.8685 7.9845 7.9845 8.3899 8.3899 8.4357 8.4357 8.7874 8.7874 8.7902 8.7902 9.6223 9.6223 9.6348 9.6348 12.4510 12.4510 12.4982 12.4982 14.9147 14.9147 14.9653 14.9653 15.6475 15.6475 15.6883 15.6883 17.1825 17.1825 k = 0.0000 0.4545 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8381 -24.8381 -24.8075 -24.8075 -22.5886 -22.5886 -22.5331 -22.5331 -21.9943 -21.9943 -21.9840 -21.9840 -6.6233 -6.6233 -6.6232 -6.6232 -5.2677 -5.2677 -5.1930 -5.1930 5.4151 5.4151 5.4161 5.4161 5.8954 5.8954 5.9014 5.9014 7.9002 7.9002 8.0260 8.0260 8.3699 8.3699 8.4025 8.4025 8.7868 8.7868 8.7941 8.7941 9.6444 9.6444 9.6567 9.6567 12.4278 12.4278 12.4750 12.4750 14.9192 14.9192 14.9695 14.9695 15.6463 15.6463 15.6876 15.6876 17.1782 17.1782 k = 0.0000 0.4697 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5888 -22.5888 -22.5330 -22.5330 -21.9943 -21.9943 -21.9839 -21.9839 -6.6255 -6.6255 -6.6255 -6.6255 -5.2648 -5.2648 -5.1898 -5.1898 5.4105 5.4105 5.4113 5.4113 5.8881 5.8881 5.8943 5.8943 7.9255 7.9255 8.0620 8.0620 8.3524 8.3524 8.3717 8.3717 8.7871 8.7871 8.7975 8.7975 9.6605 9.6605 9.6727 9.6727 12.4108 12.4108 12.4582 12.4582 14.9223 14.9223 14.9726 14.9726 15.6455 15.6455 15.6872 15.6872 17.1751 17.1751 k = 0.0000 0.4848 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8383 -24.8383 -24.8074 -24.8074 -22.5889 -22.5889 -22.5329 -22.5329 -21.9943 -21.9943 -21.9839 -21.9839 -6.6269 -6.6269 -6.6268 -6.6268 -5.2630 -5.2630 -5.1878 -5.1878 5.4077 5.4077 5.4085 5.4085 5.8838 5.8838 5.8900 5.8900 7.9421 7.9421 8.0881 8.0881 8.3402 8.3402 8.3486 8.3486 8.7875 8.7875 8.7998 8.7998 9.6702 9.6702 9.6825 9.6825 12.4005 12.4005 12.4479 12.4479 14.9242 14.9242 14.9744 14.9744 15.6449 15.6449 15.6869 15.6869 17.1732 17.1732 k = 0.0000 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5889 -22.5889 -22.5329 -22.5329 -21.9943 -21.9943 -21.9839 -21.9839 -6.6274 -6.6274 -6.6273 -6.6273 -5.2624 -5.2624 -5.1871 -5.1871 5.4068 5.4068 5.4075 5.4075 5.8823 5.8823 5.8886 5.8886 7.9479 7.9479 8.0980 8.0980 8.3358 8.3358 8.3396 8.3396 8.7877 8.7877 8.8006 8.8006 9.6735 9.6735 9.6857 9.6857 12.3971 12.3971 12.4445 12.4445 14.9249 14.9249 14.9750 14.9750 15.6448 15.6448 15.6868 15.6868 17.1726 17.1726 k = 0.0000 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5889 -22.5889 -22.5329 -22.5329 -21.9943 -21.9943 -21.9839 -21.9839 -6.6274 -6.6274 -6.6273 -6.6273 -5.2624 -5.2624 -5.1871 -5.1871 5.4068 5.4068 5.4075 5.4075 5.8823 5.8823 5.8886 5.8886 7.9479 7.9479 8.0980 8.0980 8.3358 8.3358 8.3396 8.3396 8.7877 8.7877 8.8006 8.8006 9.6735 9.6735 9.6857 9.6857 12.3971 12.3971 12.4445 12.4445 14.9249 14.9249 14.9750 14.9750 15.6448 15.6448 15.6868 15.6868 17.1726 17.1726 k = 0.0152 0.5000 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5889 -22.5889 -22.5329 -22.5329 -21.9943 -21.9943 -21.9839 -21.9839 -6.6270 -6.6270 -6.6269 -6.6269 -5.2629 -5.2629 -5.1877 -5.1877 5.4075 5.4075 5.4083 5.4083 5.8837 5.8837 5.8900 5.8900 7.9397 7.9397 8.0837 8.0837 8.3442 8.3442 8.3472 8.3472 8.7890 8.7890 8.8009 8.8009 9.6737 9.6737 9.6859 9.6859 12.3986 12.3986 12.4461 12.4461 14.9235 14.9235 14.9737 14.9737 15.6451 15.6451 15.6870 15.6870 17.1740 17.1740 k = 0.0303 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5888 -22.5888 -22.5330 -22.5330 -21.9943 -21.9943 -21.9839 -21.9839 -6.6259 -6.6259 -6.6257 -6.6257 -5.2644 -5.2644 -5.1894 -5.1894 5.4099 5.4099 5.4105 5.4105 5.8877 5.8877 5.8942 5.8942 7.9164 7.9164 8.0473 8.0473 8.3561 8.3561 8.3749 8.3749 8.7928 8.7928 8.8020 8.8020 9.6743 9.6743 9.6865 9.6865 12.4032 12.4032 12.4507 12.4507 14.9195 14.9195 14.9697 14.9697 15.6460 15.6460 15.6876 15.6876 17.1780 17.1780 k = 0.0455 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8381 -24.8381 -24.8075 -24.8075 -22.5887 -22.5887 -22.5332 -22.5332 -21.9944 -21.9944 -21.9840 -21.9840 -6.6240 -6.6240 -6.6237 -6.6237 -5.2668 -5.2668 -5.1921 -5.1921 5.4137 5.4137 5.4143 5.4143 5.8944 5.8944 5.9011 5.9011 7.8815 7.8815 7.9986 7.9986 8.3717 8.3717 8.4082 8.4082 8.7999 8.7999 8.8048 8.8048 9.6752 9.6752 9.6876 9.6876 12.4108 12.4108 12.4584 12.4584 14.9128 14.9128 14.9631 14.9631 15.6475 15.6475 15.6887 15.6887 17.1847 17.1847 k = 0.0606 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8379 -24.8379 -24.8076 -24.8076 -22.5884 -22.5884 -22.5333 -22.5333 -21.9944 -21.9944 -21.9841 -21.9841 -6.6214 -6.6214 -6.6210 -6.6210 -5.2702 -5.2702 -5.1960 -5.1960 5.4191 5.4191 5.4196 5.4196 5.9038 5.9038 5.9109 5.9109 7.8381 7.8381 7.9433 7.9433 8.3869 8.3869 8.4400 8.4400 8.8105 8.8105 8.8109 8.8109 9.6766 9.6766 9.6891 9.6891 12.4215 12.4215 12.4691 12.4691 14.9034 14.9034 14.9538 14.9538 15.6495 15.6495 15.6901 15.6901 17.1941 17.1941 k = 0.0758 0.5000 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8378 -24.8378 -24.8077 -24.8077 -22.5881 -22.5881 -22.5336 -22.5336 -21.9944 -21.9944 -21.9842 -21.9842 -6.6181 -6.6181 -6.6175 -6.6175 -5.2745 -5.2745 -5.2009 -5.2009 5.4261 5.4261 5.4263 5.4263 5.9158 5.9158 5.9234 5.9234 7.7888 7.7888 7.8842 7.8842 8.3983 8.3983 8.4657 8.4657 8.8210 8.8210 8.8266 8.8266 9.6785 9.6785 9.6912 9.6912 12.4350 12.4350 12.4829 12.4829 14.8913 14.8913 14.9420 14.9420 15.6521 15.6521 15.6919 15.6919 17.2062 17.2062 k = 0.0909 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8376 -24.8376 -24.8079 -24.8079 -22.5877 -22.5877 -22.5339 -22.5339 -21.9944 -21.9944 -21.9844 -21.9844 -6.6140 -6.6140 -6.6132 -6.6132 -5.2797 -5.2797 -5.2068 -5.2068 5.4345 5.4345 5.4345 5.4345 5.9305 5.9305 5.9387 5.9387 7.7355 7.7355 7.8228 7.8228 8.4038 8.4038 8.4826 8.4826 8.8376 8.8376 8.8474 8.8474 9.6809 9.6809 9.6937 9.6937 12.4515 12.4515 12.4995 12.4995 14.8767 14.8767 14.9276 14.9276 15.6552 15.6552 15.6940 15.6940 17.2209 17.2209 k = 0.1061 0.5000 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8373 -24.8373 -24.8081 -24.8081 -22.5873 -22.5873 -22.5343 -22.5343 -21.9945 -21.9945 -21.9846 -21.9846 -6.6093 -6.6093 -6.6082 -6.6082 -5.2857 -5.2857 -5.2137 -5.2137 5.4443 5.4443 5.4445 5.4445 5.9478 5.9478 5.9566 5.9566 7.6794 7.6794 7.7600 7.7600 8.4025 8.4025 8.4890 8.4890 8.8610 8.8610 8.8730 8.8730 9.6839 9.6839 9.6969 9.6969 12.4708 12.4708 12.5190 12.5190 14.8595 14.8595 14.9106 14.9106 15.6586 15.6586 15.6964 15.6964 17.2382 17.2382 k = 0.1212 0.5000 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8371 -24.8371 -24.8084 -24.8084 -22.5869 -22.5869 -22.5348 -22.5348 -21.9945 -21.9945 -21.9848 -21.9848 -6.6039 -6.6039 -6.6026 -6.6026 -5.2926 -5.2926 -5.2216 -5.2216 5.4554 5.4554 5.4559 5.4559 5.9677 5.9677 5.9773 5.9773 7.6213 7.6213 7.6962 7.6962 8.3941 8.3941 8.4853 8.4853 8.8906 8.8906 8.9027 8.9027 9.6875 9.6875 9.7008 9.7008 12.4929 12.4929 12.5413 12.5413 14.8397 14.8397 14.8911 14.8911 15.6625 15.6625 15.6990 15.6990 17.2580 17.2580 k = 0.1364 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8368 -24.8368 -24.8087 -24.8087 -22.5863 -22.5863 -22.5353 -22.5353 -21.9945 -21.9945 -21.9850 -21.9850 -6.5979 -6.5979 -6.5963 -6.5963 -5.3002 -5.3002 -5.2304 -5.2304 5.4680 5.4680 5.4689 5.4689 5.9901 5.9901 6.0006 6.0006 7.5617 7.5617 7.6317 7.6317 8.3792 8.3792 8.4726 8.4726 8.9247 8.9247 8.9356 8.9356 9.6919 9.6919 9.7053 9.7053 12.5176 12.5176 12.5663 12.5663 14.8175 14.8175 14.8691 14.8691 15.6666 15.6666 15.7018 15.7018 17.2804 17.2804 k = 0.1515 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8364 -24.8364 -24.8090 -24.8090 -22.5857 -22.5857 -22.5358 -22.5358 -21.9946 -21.9946 -21.9852 -21.9852 -6.5912 -6.5912 -6.5893 -6.5893 -5.3086 -5.3086 -5.2400 -5.2400 5.4821 5.4821 5.4833 5.4833 6.0151 6.0151 6.0265 6.0265 7.5012 7.5012 7.5669 7.5669 8.3583 8.3583 8.4524 8.4524 8.9616 8.9616 8.9705 8.9705 9.6972 9.6972 9.7107 9.7107 12.5449 12.5449 12.5938 12.5938 14.7928 14.7928 14.8447 14.8447 15.6709 15.6709 15.7047 15.7047 17.3053 17.3053 k = 0.1667 0.5000 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8361 -24.8361 -24.8093 -24.8093 -22.5851 -22.5851 -22.5364 -22.5364 -21.9946 -21.9946 -21.9854 -21.9854 -6.5840 -6.5840 -6.5818 -6.5818 -5.3176 -5.3176 -5.2504 -5.2504 5.4975 5.4975 5.4992 5.4992 6.0426 6.0426 6.0550 6.0550 7.4400 7.4400 7.5019 7.5019 8.3323 8.3323 8.4260 8.4260 8.9999 8.9999 9.0064 9.0064 9.7034 9.7034 9.7170 9.7170 12.5747 12.5747 12.6238 12.6238 14.7658 14.7658 14.8179 14.8179 15.6755 15.6755 15.7077 15.7077 17.3325 17.3325 k = 0.1818 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8357 -24.8357 -24.8097 -24.8097 -22.5844 -22.5844 -22.5371 -22.5371 -21.9946 -21.9946 -21.9857 -21.9857 -6.5763 -6.5763 -6.5737 -6.5737 -5.3272 -5.3272 -5.2616 -5.2616 5.5144 5.5144 5.5165 5.5165 6.0725 6.0725 6.0859 6.0859 7.3785 7.3785 7.4369 7.4369 8.3016 8.3016 8.3944 8.3944 9.0384 9.0384 9.0426 9.0426 9.7106 9.7106 9.7243 9.7243 12.6068 12.6068 12.6562 12.6562 14.7365 14.7365 14.7889 14.7889 15.6801 15.6801 15.7107 15.7107 17.3620 17.3620 k = 0.1970 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8352 -24.8352 -24.8100 -24.8100 -22.5836 -22.5836 -22.5378 -22.5378 -21.9946 -21.9946 -21.9860 -21.9860 -6.5681 -6.5681 -6.5651 -6.5651 -5.3373 -5.3373 -5.2734 -5.2734 5.5327 5.5327 5.5353 5.5353 6.1049 6.1049 6.1193 6.1193 7.3168 7.3168 7.3721 7.3721 8.2669 8.2669 8.3583 8.3583 9.0762 9.0762 9.0782 9.0782 9.7189 9.7189 9.7325 9.7325 12.6411 12.6411 12.6907 12.6907 14.7050 14.7050 14.7577 14.7577 15.6848 15.6848 15.7137 15.7137 17.3936 17.3936 k = 0.2121 0.5000 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8347 -24.8347 -24.8104 -24.8104 -22.5828 -22.5828 -22.5386 -22.5386 -21.9946 -21.9946 -21.9863 -21.9863 -6.5595 -6.5595 -6.5562 -6.5562 -5.3479 -5.3479 -5.2858 -5.2858 5.5524 5.5524 5.5556 5.5556 6.1395 6.1395 6.1551 6.1551 7.2553 7.2553 7.3075 7.3075 8.2285 8.2285 8.3185 8.3185 9.1127 9.1127 9.1128 9.1128 9.7283 9.7283 9.7418 9.7418 12.6775 12.6775 12.7274 12.7274 14.6715 14.6715 14.7244 14.7244 15.6895 15.6895 15.7167 15.7167 17.4273 17.4273 k = 0.2273 0.5000 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8343 -24.8343 -24.8109 -24.8109 -22.5819 -22.5819 -22.5394 -22.5394 -21.9946 -21.9946 -21.9866 -21.9866 -6.5505 -6.5505 -6.5468 -6.5468 -5.3588 -5.3588 -5.2987 -5.2987 5.5734 5.5734 5.5773 5.5773 6.1764 6.1764 6.1932 6.1932 7.1939 7.1939 7.2433 7.2433 8.1869 8.1869 8.2753 8.2753 9.1458 9.1458 9.1474 9.1474 9.7389 9.7389 9.7521 9.7521 12.7158 12.7158 12.7659 12.7659 14.6360 14.6360 14.6891 14.6891 15.6941 15.6941 15.7196 15.7196 17.4629 17.4629 k = 0.2424 0.5000 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8337 -24.8337 -24.8114 -24.8114 -22.5810 -22.5810 -22.5403 -22.5403 -21.9946 -21.9946 -21.9869 -21.9869 -6.5411 -6.5411 -6.5372 -6.5372 -5.3701 -5.3701 -5.3120 -5.3120 5.5959 5.5959 5.6003 5.6003 6.2154 6.2154 6.2334 6.2334 7.1329 7.1329 7.1796 7.1796 8.1424 8.1424 8.2291 8.2291 9.1771 9.1771 9.1799 9.1799 9.7506 9.7506 9.7636 9.7636 12.7559 12.7559 12.8063 12.8063 14.5986 14.5986 14.6519 14.6519 15.6986 15.6986 15.7224 15.7224 17.5001 17.5001 k = 0.2576 0.5000 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8332 -24.8332 -24.8118 -24.8118 -22.5800 -22.5800 -22.5412 -22.5412 -21.9946 -21.9946 -21.9872 -21.9872 -6.5316 -6.5316 -6.5273 -6.5273 -5.3814 -5.3814 -5.3256 -5.3256 5.6197 5.6197 5.6249 5.6249 6.2566 6.2566 6.2757 6.2757 7.0724 7.0724 7.1165 7.1165 8.0952 8.0952 8.1801 8.1801 9.2062 9.2062 9.2100 9.2100 9.7635 9.7635 9.7760 9.7760 12.7977 12.7977 12.8483 12.8483 14.5595 14.5595 14.6129 14.6129 15.7029 15.7029 15.7250 15.7250 17.5389 17.5389 k = 0.2727 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8326 -24.8326 -24.8123 -24.8123 -22.5789 -22.5789 -22.5421 -22.5421 -21.9945 -21.9945 -21.9875 -21.9875 -6.5218 -6.5218 -6.5173 -6.5173 -5.3929 -5.3929 -5.3395 -5.3395 5.6448 5.6448 5.6508 5.6508 6.2997 6.2997 6.3198 6.3198 7.0127 7.0127 7.0540 7.0540 8.0456 8.0456 8.1288 8.1288 9.2330 9.2330 9.2375 9.2375 9.7774 9.7774 9.7893 9.7893 12.8410 12.8410 12.8917 12.8917 14.5188 14.5188 14.5723 14.5723 15.7071 15.7071 15.7275 15.7275 17.5789 17.5789 k = 0.2879 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8320 -24.8320 -24.8129 -24.8129 -22.5779 -22.5779 -22.5431 -22.5431 -21.9945 -21.9945 -21.9879 -21.9879 -6.5120 -6.5120 -6.5072 -6.5072 -5.4042 -5.4042 -5.3534 -5.3534 5.6714 5.6714 5.6781 5.6781 6.3447 6.3447 6.3657 6.3657 6.9539 6.9539 6.9924 6.9924 7.9939 7.9939 8.0753 8.0753 9.2575 9.2575 9.2625 9.2625 9.7922 9.7922 9.8034 9.8034 12.8856 12.8856 12.9364 12.9364 14.4768 14.4768 14.5302 14.5302 15.7110 15.7110 15.7298 15.7298 17.6199 17.6199 k = 0.3030 0.5000 0.8614 ( 2656 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8313 -24.8313 -24.8134 -24.8134 -22.5768 -22.5768 -22.5441 -22.5441 -21.9944 -21.9944 -21.9882 -21.9882 -6.5022 -6.5022 -6.4972 -6.4972 -5.4155 -5.4155 -5.3673 -5.3673 5.6992 5.6992 5.7068 5.7068 6.3913 6.3913 6.4129 6.4129 6.8964 6.8964 6.9318 6.9318 7.9402 7.9402 8.0198 8.0198 9.2796 9.2796 9.2848 9.2848 9.8076 9.8076 9.8181 9.8181 12.9314 12.9314 12.9822 12.9822 14.4335 14.4335 14.4868 14.4868 15.7148 15.7148 15.7319 15.7319 17.6616 17.6616 k = 0.3182 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8307 -24.8307 -24.8140 -24.8140 -22.5757 -22.5757 -22.5452 -22.5452 -21.9944 -21.9944 -21.9886 -21.9886 -6.4924 -6.4924 -6.4874 -6.4874 -5.4264 -5.4264 -5.3811 -5.3811 5.7284 5.7284 5.7368 5.7368 6.4393 6.4393 6.4608 6.4608 6.8407 6.8407 6.8724 6.8724 7.8849 7.8849 7.9625 7.9625 9.2994 9.2994 9.3046 9.3046 9.8235 9.8235 9.8332 9.8332 12.9781 12.9781 13.0288 13.0288 14.3891 14.3891 14.4423 14.4423 15.7183 15.7183 15.7338 15.7338 17.7036 17.7036 k = 0.3333 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8301 -24.8301 -24.8146 -24.8146 -22.5745 -22.5745 -22.5464 -22.5464 -21.9943 -21.9943 -21.9890 -21.9890 -6.4828 -6.4828 -6.4777 -6.4777 -5.4370 -5.4370 -5.3947 -5.3947 5.7589 5.7589 5.7683 5.7683 6.4883 6.4883 6.5080 6.5080 6.7883 6.7883 6.8146 6.8146 7.8280 7.8280 7.9037 7.9037 9.3170 9.3170 9.3220 9.3220 9.8395 9.8395 9.8484 9.8484 13.0256 13.0256 13.0760 13.0760 14.3440 14.3440 14.3968 14.3968 15.7215 15.7215 15.7356 15.7356 17.7457 17.7457 k = 0.3485 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8294 -24.8294 -24.8152 -24.8152 -22.5733 -22.5733 -22.5475 -22.5475 -21.9942 -21.9942 -21.9893 -21.9893 -6.4735 -6.4735 -6.4685 -6.4685 -5.4470 -5.4470 -5.4078 -5.4078 5.7907 5.7907 5.8010 5.8010 6.5368 6.5368 6.5507 6.5507 6.7430 6.7430 6.7598 6.7598 7.7698 7.7698 7.8436 7.8436 9.3324 9.3324 9.3372 9.3372 9.8554 9.8554 9.8633 9.8633 13.0736 13.0736 13.1236 13.1236 14.2984 14.2984 14.3506 14.3506 15.7245 15.7245 15.7371 15.7371 17.7873 17.7873 k = 0.3636 0.5000 0.8614 ( 2656 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8287 -24.8287 -24.8159 -24.8159 -22.5721 -22.5721 -22.5487 -22.5487 -21.9941 -21.9941 -21.9897 -21.9897 -6.4646 -6.4646 -6.4597 -6.4597 -5.4563 -5.4563 -5.4205 -5.4205 5.8238 5.8238 5.8351 5.8351 6.5757 6.5757 6.5800 6.5800 6.7128 6.7128 6.7177 6.7177 7.7104 7.7104 7.7823 7.7823 9.3459 9.3459 9.3503 9.3503 9.8708 9.8708 9.8779 9.8779 13.1217 13.1217 13.1711 13.1711 14.2527 14.2527 14.3040 14.3040 15.7272 15.7272 15.7384 15.7384 17.8279 17.8279 k = 0.3788 0.5000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8280 -24.8280 -24.8165 -24.8165 -22.5708 -22.5708 -22.5499 -22.5499 -21.9940 -21.9940 -21.9900 -21.9900 -6.4562 -6.4562 -6.4515 -6.4515 -5.4649 -5.4649 -5.4326 -5.4326 5.8581 5.8581 5.8705 5.8705 6.5635 6.5635 6.5944 6.5944 6.6971 6.6971 6.7321 6.7321 7.6501 7.6501 7.7200 7.7200 9.3575 9.3575 9.3615 9.3615 9.8855 9.8855 9.8917 9.8917 13.1698 13.1698 13.2183 13.2183 14.2071 14.2071 14.2573 14.2573 15.7297 15.7297 15.7395 15.7395 17.8671 17.8671 k = 0.3939 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8273 -24.8273 -24.8172 -24.8172 -22.5696 -22.5696 -22.5511 -22.5511 -21.9939 -21.9939 -21.9904 -21.9904 -6.4484 -6.4484 -6.4440 -6.4440 -5.4726 -5.4726 -5.4438 -5.4438 5.8937 5.8937 5.9071 5.9071 6.5257 6.5257 6.5617 6.5617 6.7308 6.7308 6.7746 6.7746 7.5891 7.5891 7.6570 7.6570 9.3674 9.3674 9.3709 9.3709 9.8992 9.8992 9.9045 9.9045 13.2174 13.2174 13.2644 13.2644 14.1624 14.1624 14.2110 14.2110 15.7320 15.7320 15.7404 15.7404 17.9042 17.9042 k = 0.4091 0.5000 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8266 -24.8266 -24.8179 -24.8179 -22.5683 -22.5683 -22.5524 -22.5524 -21.9938 -21.9938 -21.9907 -21.9907 -6.4413 -6.4413 -6.4373 -6.4373 -5.4792 -5.4792 -5.4542 -5.4542 5.9304 5.9304 5.9448 5.9448 6.4799 6.4799 6.5141 6.5141 6.7819 6.7819 6.8272 6.8272 7.5276 7.5276 7.5934 7.5934 9.3757 9.3757 9.3788 9.3788 9.9115 9.9115 9.9160 9.9160 13.2638 13.2638 13.3087 13.3087 14.1193 14.1193 14.1655 14.1655 15.7339 15.7339 15.7411 15.7411 17.9385 17.9385 k = 0.4242 0.5000 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8259 -24.8259 -24.8186 -24.8186 -22.5670 -22.5670 -22.5537 -22.5537 -21.9936 -21.9936 -21.9911 -21.9911 -6.4350 -6.4350 -6.4315 -6.4315 -5.4846 -5.4846 -5.4636 -5.4636 5.9681 5.9681 5.9836 5.9836 6.4324 6.4324 6.4640 6.4640 6.8377 6.8377 6.8839 6.8839 7.4657 7.4657 7.5294 7.5294 9.3826 9.3826 9.3852 9.3852 9.9224 9.9224 9.9261 9.9261 13.3085 13.3085 13.3504 13.3504 14.0787 14.0787 14.1217 14.1217 15.7357 15.7357 15.7416 15.7416 17.9694 17.9694 k = 0.4394 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8252 -24.8252 -24.8194 -24.8194 -22.5657 -22.5657 -22.5550 -22.5550 -21.9935 -21.9935 -21.9914 -21.9914 -6.4296 -6.4296 -6.4267 -6.4267 -5.4888 -5.4888 -5.4719 -5.4719 6.0067 6.0067 6.0231 6.0231 6.3851 6.3851 6.4142 6.4142 6.8955 6.8955 6.9427 6.9427 7.4040 7.4040 7.4653 7.4653 9.3882 9.3882 9.3902 9.3902 9.9317 9.9317 9.9346 9.9346 13.3503 13.3503 13.3878 13.3878 14.0421 14.0421 14.0806 14.0806 15.7372 15.7372 15.7419 15.7419 17.9961 17.9961 k = 0.4545 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8245 -24.8245 -24.8201 -24.8201 -22.5644 -22.5644 -22.5563 -22.5563 -21.9933 -21.9933 -21.9918 -21.9918 -6.4252 -6.4252 -6.4229 -6.4229 -5.4917 -5.4917 -5.4789 -5.4789 6.0457 6.0457 6.0627 6.0627 6.3393 6.3393 6.3658 6.3658 6.9543 6.9543 7.0021 7.0021 7.3429 7.3429 7.4015 7.4015 9.3924 9.3924 9.3940 9.3940 9.9391 9.9391 9.9412 9.9412 13.3879 13.3879 13.4193 13.4193 14.0113 14.0113 14.0434 14.0434 15.7385 15.7385 15.7420 15.7420 18.0179 18.0179 k = 0.4697 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8238 -24.8238 -24.8208 -24.8208 -22.5630 -22.5630 -22.5577 -22.5577 -21.9931 -21.9931 -21.9920 -21.9920 -6.4219 -6.4219 -6.4203 -6.4203 -5.4932 -5.4932 -5.4846 -5.4846 6.0842 6.0842 6.1009 6.1009 6.2971 6.2971 6.3201 6.3201 7.0130 7.0130 7.0602 7.0602 7.2843 7.2843 7.3387 7.3387 9.3955 9.3955 9.3965 9.3965 9.9446 9.9446 9.9460 9.9460 13.4194 13.4194 13.4424 13.4424 13.9887 13.9887 14.0122 14.0122 15.7396 15.7396 15.7419 15.7419 18.0341 18.0341 k = 0.4848 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8230 -24.8230 -24.8215 -24.8215 -22.5617 -22.5617 -22.5590 -22.5590 -21.9928 -21.9928 -21.9923 -21.9923 -6.4197 -6.4197 -6.4189 -6.4189 -5.4933 -5.4933 -5.4889 -5.4889 6.1194 6.1194 6.1325 6.1325 6.2637 6.2637 6.2799 6.2799 7.0697 7.0697 7.1096 7.1096 7.2354 7.2354 7.2789 7.2789 9.3975 9.3975 9.3980 9.3980 9.9480 9.9480 9.9487 9.9487 13.4425 13.4425 13.4548 13.4548 13.9767 13.9767 13.9893 13.9893 15.7405 15.7405 15.7416 15.7416 18.0442 18.0442 k = 0.5000 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8223 -24.8223 -24.8223 -24.8223 -22.5604 -22.5604 -22.5604 -22.5604 -21.9926 -21.9926 -21.9926 -21.9926 -6.4187 -6.4187 -6.4187 -6.4187 -5.4918 -5.4918 -5.4918 -5.4918 6.1414 6.1414 6.1414 6.1414 6.2552 6.2552 6.2552 6.2552 7.1148 7.1148 7.1148 7.1148 7.2315 7.2315 7.2315 7.2315 9.3983 9.3983 9.3983 9.3983 9.9494 9.9494 9.9494 9.9494 13.4549 13.4549 13.4549 13.4549 13.9769 13.9769 13.9769 13.9769 15.7411 15.7411 15.7411 15.7411 18.0479 18.0479 k = 0.5000 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8223 -24.8223 -24.8223 -24.8223 -22.5604 -22.5604 -22.5604 -22.5604 -21.9926 -21.9926 -21.9926 -21.9926 -6.4187 -6.4187 -6.4187 -6.4187 -5.4918 -5.4918 -5.4918 -5.4918 6.1414 6.1414 6.1414 6.1414 6.2552 6.2552 6.2552 6.2552 7.1148 7.1148 7.1148 7.1148 7.2315 7.2315 7.2315 7.2315 9.3983 9.3983 9.3983 9.3983 9.9494 9.9494 9.9494 9.9494 13.4549 13.4549 13.4549 13.4549 13.9769 13.9769 13.9769 13.9769 15.7411 15.7411 15.7411 15.7411 18.0479 18.0479 k = 0.4891 0.4891 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8230 -24.8230 -24.8215 -24.8215 -22.5617 -22.5617 -22.5590 -22.5590 -21.9928 -21.9928 -21.9923 -21.9923 -6.4201 -6.4201 -6.4185 -6.4185 -5.4934 -5.4934 -5.4887 -5.4887 6.1107 6.1107 6.1437 6.1437 6.2525 6.2525 6.2885 6.2885 7.0599 7.0599 7.1270 7.1270 7.2185 7.2185 7.2883 7.2883 9.3972 9.3972 9.3982 9.3982 9.9471 9.9471 9.9495 9.9495 13.4394 13.4394 13.4578 13.4578 13.9737 13.9737 13.9925 13.9925 15.7404 15.7404 15.7416 15.7416 18.0409 18.0409 k = 0.4783 0.4783 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8238 -24.8238 -24.8208 -24.8208 -22.5631 -22.5631 -22.5576 -22.5576 -21.9931 -21.9931 -21.9920 -21.9920 -6.4239 -6.4239 -6.4184 -6.4184 -5.4943 -5.4943 -5.4834 -5.4834 6.0575 6.0575 6.1448 6.1448 6.2521 6.2521 6.3481 6.3481 6.9801 6.9801 7.1292 7.1292 7.2168 7.2168 7.3702 7.3702 9.3941 9.3941 9.3979 9.3979 9.9405 9.9405 9.9497 9.9497 13.4037 13.4037 13.4593 13.4593 13.9713 13.9713 14.0285 14.0285 15.7394 15.7394 15.7420 15.7420 18.0204 18.0204 k = 0.4674 0.4674 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8245 -24.8245 -24.8201 -24.8201 -22.5644 -22.5644 -22.5563 -22.5563 -21.9933 -21.9933 -21.9917 -21.9917 -6.4302 -6.4302 -6.4181 -6.4181 -5.4950 -5.4950 -5.4755 -5.4755 6.0007 6.0007 6.1466 6.1466 6.2516 6.2516 6.4152 6.4152 6.8956 6.8956 7.1311 7.1311 7.2163 7.2163 7.4580 7.4580 9.3890 9.3890 9.3973 9.3973 9.9294 9.9294 9.9500 9.9500 13.3530 13.3530 13.4613 13.4613 13.9680 13.9680 14.0800 14.0800 15.7380 15.7380 15.7424 15.7424 17.9877 17.9877 k = 0.4565 0.4565 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8252 -24.8252 -24.8193 -24.8193 -22.5657 -22.5657 -22.5550 -22.5550 -21.9935 -21.9935 -21.9914 -21.9914 -6.4385 -6.4385 -6.4177 -6.4177 -5.4956 -5.4956 -5.4650 -5.4650 5.9447 5.9447 6.1492 6.1492 6.2509 6.2509 6.4854 6.4854 6.8110 6.8110 7.1335 7.1335 7.2161 7.2161 7.5472 7.5472 9.3819 9.3819 9.3966 9.3966 9.9138 9.9138 9.9501 9.9501 13.2933 13.2933 13.4641 13.4641 13.9636 13.9636 14.1407 14.1407 15.7362 15.7362 15.7428 15.7428 17.9449 17.9449 k = 0.4457 0.4457 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8259 -24.8259 -24.8186 -24.8186 -22.5670 -22.5670 -22.5537 -22.5537 -21.9936 -21.9936 -21.9911 -21.9911 -6.4488 -6.4488 -6.4172 -6.4172 -5.4964 -5.4964 -5.4523 -5.4523 5.8905 5.8905 6.1524 6.1524 6.2501 6.2501 6.5571 6.5571 6.7278 6.7278 7.1369 7.1369 7.2160 7.2160 7.6363 7.6363 9.3728 9.3728 9.3957 9.3957 9.8938 9.8938 9.9500 9.9500 13.2290 13.2290 13.4676 13.4676 13.9582 13.9582 14.2066 14.2066 15.7339 15.7339 15.7431 15.7431 17.8941 17.8941 k = 0.4348 0.4348 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8266 -24.8266 -24.8179 -24.8179 -22.5683 -22.5683 -22.5524 -22.5524 -21.9938 -21.9938 -21.9907 -21.9907 -6.4606 -6.4606 -6.4166 -6.4166 -5.4972 -5.4972 -5.4376 -5.4376 5.8386 5.8386 6.1564 6.1564 6.2491 6.2491 6.6242 6.6242 6.6519 6.6519 7.1419 7.1419 7.2159 7.2159 7.7246 7.7246 9.3618 9.3618 9.3946 9.3946 9.8694 9.8694 9.9494 9.9494 13.1628 13.1628 13.4719 13.4719 13.9522 13.9522 14.2748 14.2748 15.7312 15.7312 15.7436 15.7436 17.8372 17.8372 k = 0.4239 0.4239 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8273 -24.8273 -24.8173 -24.8173 -22.5695 -22.5695 -22.5512 -22.5512 -21.9939 -21.9939 -21.9904 -21.9904 -6.4736 -6.4736 -6.4159 -6.4159 -5.4982 -5.4982 -5.4213 -5.4213 5.7893 5.7893 6.1612 6.1612 6.2479 6.2479 6.5652 6.5652 6.7039 6.7039 7.1491 7.1491 7.2160 7.2160 7.8114 7.8114 9.3490 9.3490 9.3934 9.3934 9.8406 9.8406 9.9480 9.9480 13.0967 13.0967 13.4770 13.4770 13.9456 13.9456 14.3439 14.3439 15.7280 15.7280 15.7440 15.7440 17.7763 17.7763 k = 0.4130 0.4130 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8280 -24.8280 -24.8166 -24.8166 -22.5707 -22.5707 -22.5500 -22.5500 -21.9941 -21.9941 -21.9901 -21.9901 -6.4875 -6.4875 -6.4151 -6.4151 -5.4993 -5.4993 -5.4038 -5.4038 5.7428 5.7428 6.1666 6.1666 6.2466 6.2466 6.4894 6.4894 6.7736 6.7736 7.1598 7.1598 7.2165 7.2165 7.8963 7.8963 9.3344 9.3344 9.3921 9.3921 9.8073 9.8073 9.9456 9.9456 13.0320 13.0320 13.4828 13.4828 13.9389 13.9389 14.4125 14.4125 15.7243 15.7243 15.7444 15.7444 17.7128 17.7128 k = 0.4022 0.4022 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8286 -24.8286 -24.8160 -24.8160 -22.5719 -22.5719 -22.5489 -22.5489 -21.9942 -21.9942 -21.9897 -21.9897 -6.5019 -6.5019 -6.4142 -6.4142 -5.5005 -5.5005 -5.3856 -5.3856 5.6992 5.6992 6.1728 6.1728 6.2452 6.2452 6.4165 6.4165 6.8393 6.8393 7.1754 7.1754 7.2179 7.2179 7.9787 7.9787 9.3181 9.3181 9.3908 9.3908 9.7696 9.7696 9.9417 9.9417 12.9698 12.9698 13.4893 13.4893 13.9322 13.9322 14.4799 14.4799 15.7202 15.7202 15.7448 15.7448 17.6482 17.6482 k = 0.3913 0.3913 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8292 -24.8292 -24.8154 -24.8154 -22.5730 -22.5730 -22.5478 -22.5478 -21.9943 -21.9943 -21.9894 -21.9894 -6.5165 -6.5165 -6.4132 -6.4132 -5.5018 -5.5018 -5.3669 -5.3669 5.6586 5.6586 6.1796 6.1796 6.2437 6.2437 6.3472 6.3472 6.8973 6.8973 7.1951 7.1951 7.2242 7.2242 8.0583 8.0583 9.3002 9.3002 9.3894 9.3894 9.7277 9.7277 9.9361 9.9361 12.9108 12.9108 13.4966 13.4966 13.9259 13.9259 14.5454 14.5454 15.7157 15.7157 15.7452 15.7452 17.5836 17.5836 k = 0.3804 0.3804 0.8614 ( 2668 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8298 -24.8298 -24.8149 -24.8149 -22.5740 -22.5740 -22.5468 -22.5468 -21.9944 -21.9944 -21.9891 -21.9891 -6.5310 -6.5310 -6.4121 -6.4121 -5.5033 -5.5033 -5.3483 -5.3483 5.6211 5.6211 6.1867 6.1867 6.2418 6.2418 6.2825 6.2825 6.9443 6.9443 7.2065 7.2065 7.2511 7.2511 8.1345 8.1345 9.2808 9.2808 9.3880 9.3880 9.6814 9.6814 9.9283 9.9283 12.8559 12.8559 13.5045 13.5045 13.9202 13.9202 14.6085 14.6085 15.7108 15.7108 15.7456 15.7456 17.5201 17.5201 k = 0.3696 0.3696 0.8614 ( 2662 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8303 -24.8303 -24.8144 -24.8144 -22.5750 -22.5750 -22.5459 -22.5459 -21.9944 -21.9944 -21.9887 -21.9887 -6.5452 -6.5452 -6.4109 -6.4109 -5.5048 -5.5048 -5.3300 -5.3300 5.5866 5.5866 6.1903 6.1903 6.2237 6.2237 6.2422 6.2422 6.9786 6.9786 7.2091 7.2091 7.3004 7.3004 8.2070 8.2070 9.2601 9.2601 9.3867 9.3867 9.6310 9.6310 9.9179 9.9179 12.8057 12.8057 13.5131 13.5131 13.9154 13.9154 14.6688 14.6688 15.7055 15.7055 15.7458 15.7458 17.4583 17.4583 k = 0.3587 0.3587 0.8614 ( 2666 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8309 -24.8309 -24.8139 -24.8139 -22.5759 -22.5759 -22.5450 -22.5450 -21.9945 -21.9945 -21.9884 -21.9884 -6.5588 -6.5588 -6.4097 -6.4097 -5.5065 -5.5065 -5.3123 -5.3123 5.5554 5.5554 6.1557 6.1557 6.2111 6.2111 6.2398 6.2398 7.0018 7.0018 7.2098 7.2098 7.3637 7.3637 8.2753 8.2753 9.2381 9.2381 9.3854 9.3854 9.5765 9.5765 9.9047 9.9047 12.7608 12.7608 13.5223 13.5223 13.9118 13.9118 14.7260 14.7260 15.7000 15.7000 15.7460 15.7460 17.3990 17.3990 k = 0.3478 0.3478 0.8614 ( 2670 PWs) bands (ev): -48.6986 -48.6986 -48.6985 -48.6985 -24.8314 -24.8314 -24.8135 -24.8135 -22.5768 -22.5768 -22.5442 -22.5442 -21.9945 -21.9945 -21.9882 -21.9882 -6.5716 -6.5716 -6.4084 -6.4084 -5.5083 -5.5083 -5.2955 -5.2955 5.5273 5.5273 6.1045 6.1045 6.2194 6.2194 6.2384 6.2384 7.0168 7.0168 7.2099 7.2099 7.4362 7.4362 8.3389 8.3389 9.2149 9.2149 9.3842 9.3842 9.5181 9.5181 9.8883 9.8883 12.7216 12.7216 13.5322 13.5322 13.9096 13.9096 14.7796 14.7796 15.6943 15.6943 15.7462 15.7462 17.3429 17.3429 k = 0.3370 0.3370 0.8614 ( 2670 PWs) bands (ev): -48.6986 -48.6986 -48.6985 -48.6985 -24.8318 -24.8318 -24.8131 -24.8131 -22.5775 -22.5775 -22.5435 -22.5435 -21.9945 -21.9945 -21.9879 -21.9879 -6.5834 -6.5834 -6.4070 -6.4070 -5.5101 -5.5101 -5.2800 -5.2800 5.5025 5.5025 6.0564 6.0564 6.2289 6.2289 6.2383 6.2383 7.0264 7.0264 7.2097 7.2097 7.5148 7.5148 8.3976 8.3976 9.1907 9.1907 9.3830 9.3830 9.4559 9.4559 9.8685 9.8685 12.6886 12.6886 13.5426 13.5426 13.9090 13.9090 14.8295 14.8295 15.6885 15.6885 15.7462 15.7462 17.2903 17.2903 k = 0.3261 0.3261 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8322 -24.8322 -24.8128 -24.8128 -22.5782 -22.5782 -22.5429 -22.5429 -21.9946 -21.9946 -21.9876 -21.9876 -6.5941 -6.5941 -6.4055 -6.4055 -5.5120 -5.5120 -5.2659 -5.2659 5.4810 5.4810 6.0128 6.0128 6.2331 6.2331 6.2449 6.2449 7.0325 7.0325 7.2094 7.2094 7.5973 7.5973 8.4509 8.4509 9.1656 9.1656 9.3811 9.3811 9.3909 9.3909 9.8449 9.8449 12.6622 12.6622 13.5536 13.5536 13.9102 13.9102 14.8754 14.8754 15.6827 15.6827 15.7461 15.7461 17.2417 17.2417 k = 0.3152 0.3152 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8325 -24.8325 -24.8125 -24.8125 -22.5788 -22.5788 -22.5423 -22.5423 -21.9946 -21.9946 -21.9874 -21.9874 -6.6035 -6.6035 -6.4040 -6.4040 -5.5140 -5.5140 -5.2535 -5.2535 5.4628 5.4628 5.9740 5.9740 6.2328 6.2328 6.2572 6.2572 7.0364 7.0364 7.2091 7.2091 7.6821 7.6821 8.4984 8.4984 9.1397 9.1397 9.3206 9.3206 9.3812 9.3812 9.8175 9.8175 12.6426 12.6426 13.5650 13.5650 13.9132 13.9132 14.9172 14.9172 15.6771 15.6771 15.7459 15.7459 17.1974 17.1974 k = 0.3043 0.3043 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6986 -48.6986 -24.8328 -24.8328 -24.8122 -24.8122 -22.5793 -22.5793 -22.5418 -22.5418 -21.9946 -21.9946 -21.9872 -21.9872 -6.6115 -6.6115 -6.4025 -6.4025 -5.5161 -5.5161 -5.2429 -5.2429 5.4479 5.4479 5.9402 5.9402 6.2322 6.2322 6.2711 6.2711 7.0386 7.0386 7.2087 7.2087 7.7683 7.7683 8.5399 8.5399 9.1132 9.1132 9.2483 9.2483 9.3803 9.3803 9.7862 9.7862 12.6299 12.6299 13.5769 13.5769 13.9183 13.9183 14.9545 14.9545 15.6716 15.6716 15.7456 15.7456 17.1578 17.1578 k = 0.2935 0.2935 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8330 -24.8330 -24.8120 -24.8120 -22.5797 -22.5797 -22.5414 -22.5414 -21.9946 -21.9946 -21.9870 -21.9870 -6.6180 -6.6180 -6.4009 -6.4009 -5.5182 -5.5182 -5.2342 -5.2342 5.4364 5.4364 5.9114 5.9114 6.2318 6.2318 6.2861 6.2861 7.0397 7.0397 7.2083 7.2083 7.8553 7.8553 8.5750 8.5750 9.0861 9.0861 9.1731 9.1731 9.3795 9.3795 9.7511 9.7511 12.6242 12.6242 13.5892 13.5892 13.9254 13.9254 14.9873 14.9873 15.6666 15.6666 15.7452 15.7452 17.1230 17.1230 k = 0.2826 0.2826 0.8614 ( 2670 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8332 -24.8332 -24.8118 -24.8118 -22.5800 -22.5800 -22.5411 -22.5411 -21.9945 -21.9945 -21.9869 -21.9869 -6.6229 -6.6229 -6.3993 -6.3993 -5.5203 -5.5203 -5.2277 -5.2277 5.4282 5.4282 5.8877 5.8877 6.2318 6.2318 6.3021 6.3021 7.0399 7.0399 7.2079 7.2079 7.9425 7.9425 8.6035 8.6035 9.0584 9.0584 9.0955 9.0955 9.3788 9.3788 9.7123 9.7123 12.6253 12.6253 13.6018 13.6018 13.9346 13.9346 15.0155 15.0155 15.6621 15.6621 15.7446 15.7446 17.0932 17.0932 k = 0.2717 0.2717 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6986 -48.6986 -24.8333 -24.8333 -24.8117 -24.8117 -22.5803 -22.5803 -22.5408 -22.5408 -21.9945 -21.9945 -21.9868 -21.9868 -6.6262 -6.6262 -6.3976 -6.3976 -5.5225 -5.5225 -5.2235 -5.2235 5.4233 5.4233 5.8692 5.8692 6.2324 6.2324 6.3191 6.3191 7.0394 7.0394 7.2075 7.2075 8.0293 8.0293 8.6251 8.6251 9.0133 9.0133 9.0328 9.0328 9.3781 9.3781 9.6700 9.6700 12.6333 12.6333 13.6147 13.6147 13.9459 13.9459 15.0389 15.0389 15.6582 15.6582 15.7439 15.7439 17.0684 17.0684 k = 0.2609 0.2609 0.8614 ( 2688 PWs) bands (ev): -48.6988 -48.6988 -48.6988 -48.6988 -24.8335 -24.8335 -24.8116 -24.8116 -22.5804 -22.5804 -22.5407 -22.5407 -21.9946 -21.9946 -21.9867 -21.9867 -6.6278 -6.6278 -6.3960 -6.3960 -5.5247 -5.5247 -5.2215 -5.2215 5.4217 5.4217 5.8557 5.8557 6.2337 6.2337 6.3369 6.3369 7.0383 7.0383 7.2071 7.2071 8.1154 8.1154 8.6397 8.6397 8.9321 8.9321 9.0041 9.0041 9.3775 9.3775 9.6245 9.6245 12.6478 12.6478 13.6279 13.6279 13.9593 13.9593 15.0574 15.0574 15.6550 15.6550 15.7431 15.7431 17.0488 17.0488 k = 0.2500 0.2500 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8334 -24.8334 -24.8116 -24.8116 -22.5805 -22.5805 -22.5407 -22.5407 -21.9945 -21.9945 -21.9866 -21.9866 -6.6277 -6.6277 -6.3943 -6.3943 -5.5269 -5.5269 -5.2218 -5.2218 5.4234 5.4234 5.8470 5.8470 6.2360 6.2360 6.3557 6.3557 7.0368 7.0368 7.2067 7.2067 8.2003 8.2003 8.6471 8.6471 8.8487 8.8487 8.9762 8.9762 9.3767 9.3767 9.5763 9.5763 12.6686 12.6686 13.6412 13.6412 13.9747 13.9747 15.0711 15.0711 15.6527 15.6527 15.7421 15.7421 17.0344 17.0344 k = 0.2391 0.2391 0.8614 ( 2684 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8334 -24.8334 -24.8116 -24.8116 -22.5804 -22.5804 -22.5407 -22.5407 -21.9945 -21.9945 -21.9866 -21.9866 -6.6258 -6.6258 -6.3926 -6.3926 -5.5291 -5.5291 -5.2245 -5.2245 5.4284 5.4284 5.8431 5.8431 6.2393 6.2393 6.3753 6.3753 7.0348 7.0348 7.2063 7.2063 8.2832 8.2832 8.6470 8.6470 8.7649 8.7649 8.9487 8.9487 9.3757 9.3757 9.5257 9.5257 12.6953 12.6953 13.6547 13.6547 13.9921 13.9921 15.0800 15.0800 15.6513 15.6513 15.7410 15.7410 17.0250 17.0250 k = 0.2283 0.2283 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8333 -24.8333 -24.8116 -24.8116 -22.5802 -22.5802 -22.5408 -22.5408 -21.9944 -21.9944 -21.9866 -21.9866 -6.6223 -6.6223 -6.3909 -6.3909 -5.5313 -5.5313 -5.2296 -5.2296 5.4366 5.4366 5.8435 5.8435 6.2441 6.2441 6.3957 6.3957 7.0324 7.0324 7.2060 7.2060 8.3627 8.3627 8.6369 8.6369 8.6847 8.6847 8.9214 8.9214 9.3738 9.3738 9.4740 9.4740 12.7276 12.7276 13.6682 13.6682 14.0113 14.0113 15.0839 15.0839 15.6508 15.6508 15.7397 15.7397 17.0207 17.0207 k = 0.2174 0.2174 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8332 -24.8332 -24.8118 -24.8118 -22.5800 -22.5800 -22.5410 -22.5410 -21.9943 -21.9943 -21.9866 -21.9866 -6.6170 -6.6170 -6.3893 -6.3893 -5.5335 -5.5335 -5.2369 -5.2369 5.4479 5.4479 5.8480 5.8480 6.2507 6.2507 6.4169 6.4169 7.0295 7.0295 7.2056 7.2056 8.4331 8.4331 8.5913 8.5913 8.6394 8.6394 8.8945 8.8945 9.3682 9.3682 9.4242 9.4242 12.7650 12.7650 13.6817 13.6817 14.0322 14.0322 15.0830 15.0830 15.6511 15.6511 15.7384 15.7384 17.0213 17.0213 k = 0.2065 0.2065 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8330 -24.8330 -24.8119 -24.8119 -22.5796 -22.5796 -22.5413 -22.5413 -21.9942 -21.9942 -21.9867 -21.9867 -6.6101 -6.6101 -6.3877 -6.3877 -5.5357 -5.5357 -5.2465 -5.2465 5.4624 5.4624 5.8560 5.8560 6.2596 6.2596 6.4389 6.4389 7.0262 7.0262 7.2053 7.2053 8.4547 8.4547 8.5546 8.5546 8.6245 8.6245 8.8682 8.8682 9.3432 9.3432 9.3926 9.3926 12.8073 12.8073 13.6951 13.6951 14.0546 14.0546 15.0773 15.0773 15.6524 15.6524 15.7369 15.7369 17.0268 17.0268 k = 0.1957 0.1957 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8327 -24.8327 -24.8121 -24.8121 -22.5792 -22.5792 -22.5417 -22.5417 -21.9942 -21.9942 -21.9868 -21.9868 -6.6016 -6.6016 -6.3861 -6.3861 -5.5378 -5.5378 -5.2582 -5.2582 5.4800 5.4800 5.8670 5.8670 6.2711 6.2711 6.4614 6.4614 7.0224 7.0224 7.2050 7.2050 8.3897 8.3897 8.5603 8.5603 8.6446 8.6446 8.8425 8.8425 9.2935 9.2935 9.3849 9.3849 12.8539 12.8539 13.7083 13.7083 14.0784 14.0784 15.0668 15.0668 15.6545 15.6545 15.7353 15.7353 17.0368 17.0368 k = 0.1848 0.1848 0.8614 ( 2678 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8324 -24.8324 -24.8124 -24.8124 -22.5787 -22.5787 -22.5421 -22.5421 -21.9941 -21.9941 -21.9869 -21.9869 -6.5915 -6.5915 -6.3845 -6.3845 -5.5399 -5.5399 -5.2719 -5.2719 5.5005 5.5005 5.8801 5.8801 6.2861 6.2861 6.4845 6.4845 7.0180 7.0180 7.2047 7.2047 8.3065 8.3065 8.5353 8.5353 8.7049 8.7049 8.8177 8.8177 9.2376 9.2376 9.3828 9.3828 12.9044 12.9044 13.7213 13.7213 14.1033 14.1033 15.0518 15.0518 15.6572 15.6572 15.7337 15.7337 17.0513 17.0513 k = 0.1739 0.1739 0.8614 ( 2682 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8321 -24.8321 -24.8127 -24.8127 -22.5781 -22.5781 -22.5427 -22.5427 -21.9940 -21.9940 -21.9871 -21.9871 -6.5799 -6.5799 -6.3830 -6.3830 -5.5419 -5.5419 -5.2875 -5.2875 5.5239 5.5239 5.8947 5.8947 6.3050 6.3050 6.5080 6.5080 7.0130 7.0130 7.2045 7.2045 8.2207 8.2207 8.4972 8.4972 8.7715 8.7715 8.7945 8.7945 9.1804 9.1804 9.3820 9.3820 12.9585 12.9585 13.7340 13.7340 14.1292 14.1292 15.0323 15.0323 15.6606 15.6606 15.7320 15.7320 17.0699 17.0699 k = 0.1630 0.1630 0.8614 ( 2678 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8317 -24.8317 -24.8130 -24.8130 -22.5773 -22.5773 -22.5433 -22.5433 -21.9939 -21.9939 -21.9873 -21.9873 -6.5670 -6.5670 -6.3815 -6.3815 -5.5438 -5.5438 -5.3048 -5.3048 5.5500 5.5500 5.9098 5.9098 6.3286 6.3286 6.5319 6.5319 7.0071 7.0071 7.2043 7.2043 8.1351 8.1351 8.4516 8.4516 8.7697 8.7697 8.8402 8.8402 9.1231 9.1231 9.3817 9.3817 13.0157 13.0157 13.7463 13.7463 14.1558 14.1558 15.0084 15.0084 15.6644 15.6644 15.7302 15.7302 17.0923 17.0923 k = 0.1522 0.1522 0.8614 ( 2682 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8313 -24.8313 -24.8134 -24.8134 -22.5766 -22.5766 -22.5441 -22.5441 -21.9938 -21.9938 -21.9875 -21.9875 -6.5529 -6.5529 -6.3801 -6.3801 -5.5457 -5.5457 -5.3235 -5.3235 5.5786 5.5786 5.9247 5.9247 6.3575 6.3575 6.5559 6.5559 7.0004 7.0004 7.2041 7.2041 8.0508 8.0508 8.3998 8.3998 8.7478 8.7478 8.9049 8.9049 9.0665 9.0665 9.3817 9.3817 13.0756 13.0756 13.7582 13.7582 14.1829 14.1829 14.9804 14.9804 15.6686 15.6686 15.7285 15.7285 17.1182 17.1182 k = 0.1413 0.1413 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6986 -48.6986 -24.8308 -24.8308 -24.8138 -24.8138 -22.5757 -22.5757 -22.5448 -22.5448 -21.9937 -21.9937 -21.9877 -21.9877 -6.5377 -6.5377 -6.3788 -6.3788 -5.5474 -5.5474 -5.3435 -5.3435 5.6097 5.6097 5.9388 5.9388 6.3922 6.3922 6.5800 6.5800 6.9926 6.9926 7.2040 7.2040 7.9684 7.9684 8.3425 8.3425 8.7268 8.7268 8.9665 8.9665 9.0112 9.0112 9.3817 9.3817 13.1379 13.1379 13.7696 13.7696 14.2101 14.2101 14.9485 14.9485 15.6730 15.6730 15.7267 15.7267 17.1471 17.1471 k = 0.1304 0.1304 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8302 -24.8302 -24.8142 -24.8142 -22.5748 -22.5748 -22.5457 -22.5457 -21.9936 -21.9936 -21.9879 -21.9879 -6.5217 -6.5217 -6.3775 -6.3775 -5.5491 -5.5491 -5.3645 -5.3645 5.6430 5.6430 5.9515 5.9515 6.4328 6.4328 6.6040 6.6040 6.9834 6.9834 7.2038 7.2038 7.8887 7.8887 8.2801 8.2801 8.7071 8.7071 8.9566 8.9566 9.0257 9.0257 9.3819 9.3819 13.2020 13.2020 13.7805 13.7805 14.2372 14.2372 14.9129 14.9129 15.6775 15.6775 15.7250 15.7250 17.1785 17.1785 k = 0.1196 0.1196 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8297 -24.8297 -24.8148 -24.8148 -22.5738 -22.5738 -22.5466 -22.5466 -21.9934 -21.9934 -21.9882 -21.9882 -6.5049 -6.5049 -6.3763 -6.3763 -5.5507 -5.5507 -5.3861 -5.3861 5.6782 5.6782 5.9627 5.9627 6.4794 6.4794 6.6276 6.6276 6.9727 6.9727 7.2037 7.2037 7.8125 7.8125 8.2133 8.2133 8.6885 8.6885 8.9047 8.9047 9.0803 9.0803 9.3821 9.3821 13.2676 13.2676 13.7907 13.7907 14.2639 14.2639 14.8739 14.8739 15.6819 15.6819 15.7233 15.7233 17.2118 17.2118 k = 0.1087 0.1087 0.8614 ( 2676 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8291 -24.8291 -24.8153 -24.8153 -22.5727 -22.5727 -22.5476 -22.5476 -21.9933 -21.9933 -21.9884 -21.9884 -6.4878 -6.4878 -6.3752 -6.3752 -5.5522 -5.5522 -5.4081 -5.4081 5.7149 5.7149 5.9721 5.9721 6.5317 6.5317 6.6506 6.6506 6.9602 6.9602 7.2037 7.2037 7.7406 7.7406 8.1424 8.1424 8.6714 8.6714 8.8553 8.8553 9.1312 9.1312 9.3823 9.3823 13.3341 13.3341 13.8002 13.8002 14.2897 14.2897 14.8319 14.8319 15.6863 15.6863 15.7216 15.7216 17.2464 17.2464 k = 0.0978 0.0978 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8285 -24.8285 -24.8159 -24.8159 -22.5716 -22.5716 -22.5486 -22.5486 -21.9932 -21.9932 -21.9887 -21.9887 -6.4705 -6.4705 -6.3741 -6.3741 -5.5535 -5.5535 -5.4301 -5.4301 5.7528 5.7528 5.9800 5.9800 6.5892 6.5892 6.6730 6.6730 6.9455 6.9455 7.2036 7.2036 7.6737 7.6737 8.0679 8.0679 8.6557 8.6557 8.8086 8.8086 9.1778 9.1778 9.3826 9.3826 13.4012 13.4012 13.8090 13.8090 14.3145 14.3145 14.7873 14.7873 15.6904 15.6904 15.7201 15.7201 17.2817 17.2817 k = 0.0870 0.0870 0.8614 ( 2678 PWs) bands (ev): -48.6987 -48.6987 -48.6986 -48.6986 -24.8278 -24.8278 -24.8164 -24.8164 -22.5704 -22.5704 -22.5497 -22.5497 -21.9930 -21.9930 -21.9890 -21.9890 -6.4533 -6.4533 -6.3732 -6.3732 -5.5547 -5.5547 -5.4516 -5.4516 5.7914 5.7914 5.9865 5.9865 6.6507 6.6507 6.6953 6.6953 6.9286 6.9286 7.2036 7.2036 7.6127 7.6127 7.9904 7.9904 8.6414 8.6414 8.7653 8.7653 9.2201 9.2201 9.3828 9.3828 13.4681 13.4681 13.8170 13.8170 14.3379 14.3379 14.7406 14.7406 15.6943 15.6943 15.7186 15.7186 17.3167 17.3167 k = 0.0761 0.0761 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8271 -24.8271 -24.8171 -24.8171 -22.5692 -22.5692 -22.5509 -22.5509 -21.9928 -21.9928 -21.9893 -21.9893 -6.4367 -6.4367 -6.3724 -6.3724 -5.5558 -5.5558 -5.4723 -5.4723 5.8300 5.8300 5.9917 5.9917 6.7045 6.7045 6.7280 6.7280 6.9094 6.9094 7.2037 7.2037 7.5583 7.5583 7.9103 7.9103 8.6287 8.6287 8.7258 8.7258 9.2578 9.2578 9.3830 9.3830 13.5342 13.5342 13.8242 13.8242 14.3594 14.3594 14.6924 14.6924 15.6978 15.6978 15.7173 15.7173 17.3507 17.3507 k = 0.0652 0.0652 0.8614 ( 2674 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8264 -24.8264 -24.8177 -24.8177 -22.5680 -22.5680 -22.5521 -22.5521 -21.9926 -21.9926 -21.9896 -21.9896 -6.4211 -6.4211 -6.3717 -6.3717 -5.5567 -5.5567 -5.4917 -5.4917 5.8677 5.8677 5.9958 5.9958 6.7276 6.7276 6.7935 6.7935 6.8883 6.8883 7.2037 7.2037 7.5112 7.5112 7.8283 7.8283 8.6176 8.6176 8.6904 8.6904 9.2908 9.2908 9.3832 9.3832 13.5986 13.5986 13.8305 13.8305 14.3789 14.3789 14.6436 14.6436 15.7009 15.7009 15.7161 15.7161 17.3828 17.3828 k = 0.0543 0.0543 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8258 -24.8258 -24.8184 -24.8184 -22.5667 -22.5667 -22.5533 -22.5533 -21.9924 -21.9924 -21.9899 -21.9899 -6.4068 -6.4068 -6.3710 -6.3710 -5.5575 -5.5575 -5.5093 -5.5093 5.9036 5.9036 5.9990 5.9990 6.7441 6.7441 6.8620 6.8620 6.8707 6.8707 7.2038 7.2038 7.4717 7.4717 7.7449 7.7449 8.6082 8.6082 8.6597 8.6597 9.3190 9.3190 9.3834 9.3834 13.6601 13.6601 13.8359 13.8359 14.3960 14.3960 14.5954 14.5954 15.7037 15.7037 15.7150 15.7150 17.4120 17.4120 k = 0.0435 0.0435 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8250 -24.8250 -24.8191 -24.8191 -22.5654 -22.5654 -22.5546 -22.5546 -21.9922 -21.9922 -21.9901 -21.9901 -6.3943 -6.3943 -6.3705 -6.3705 -5.5581 -5.5581 -5.5246 -5.5246 5.9363 5.9363 6.0014 6.0014 6.7577 6.7577 6.8432 6.8432 6.9432 6.9432 7.2038 7.2038 7.4400 7.4400 7.6610 7.6610 8.6004 8.6004 8.6339 8.6339 9.3422 9.3422 9.3836 9.3836 13.7171 13.7171 13.8403 13.8403 14.4104 14.4104 14.5493 14.5493 15.7060 15.7060 15.7141 15.7141 17.4375 17.4375 k = 0.0326 0.0326 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8242 -24.8242 -24.8198 -24.8198 -22.5640 -22.5640 -22.5559 -22.5559 -21.9920 -21.9920 -21.9904 -21.9904 -6.3840 -6.3840 -6.3701 -6.3701 -5.5585 -5.5585 -5.5372 -5.5372 5.9643 5.9643 6.0032 6.0032 6.7686 6.7686 6.8226 6.8226 7.0202 7.0202 7.2039 7.2039 7.4159 7.4159 7.5779 7.5779 8.5943 8.5943 8.6134 8.6134 9.3603 9.3603 9.3837 9.3837 13.7672 13.7672 13.8438 13.8438 14.4219 14.4219 14.5076 14.5076 15.7079 15.7079 15.7133 15.7133 17.4583 17.4583 k = 0.0217 0.0217 0.8614 ( 2672 PWs) bands (ev): -48.6986 -48.6986 -48.6986 -48.6986 -24.8235 -24.8235 -24.8205 -24.8205 -22.5627 -22.5627 -22.5572 -22.5572 -21.9917 -21.9917 -21.9907 -21.9907 -6.3763 -6.3763 -6.3698 -6.3698 -5.5586 -5.5586 -5.5467 -5.5467 5.9860 5.9860 6.0044 6.0044 6.7768 6.7768 6.8056 6.8056 7.0958 7.0958 7.2039 7.2039 7.3991 7.3991 7.4980 7.4980 8.5899 8.5899 8.5986 8.5986 9.3733 9.3733 9.3838 9.3838 13.8075 13.8075 13.8462 13.8462 14.4304 14.4304 14.4733 14.4733 15.7093 15.7093 15.7126 15.7126 17.4738 17.4738 k = 0.0109 0.0109 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8227 -24.8227 -24.8212 -24.8212 -22.5613 -22.5613 -22.5585 -22.5585 -21.9914 -21.9914 -21.9909 -21.9909 -6.3716 -6.3716 -6.3697 -6.3697 -5.5581 -5.5581 -5.5531 -5.5531 5.9999 5.9999 6.0051 6.0051 6.7824 6.7824 6.7937 6.7937 7.1626 7.1626 7.2035 7.2035 7.3896 7.3896 7.4286 7.4286 8.5873 8.5873 8.5896 8.5896 9.3811 9.3811 9.3839 9.3839 13.8344 13.8344 13.8474 13.8474 14.4358 14.4358 14.4501 14.4501 15.7105 15.7105 15.7120 15.7120 17.4834 17.4834 k = 0.0000 0.0000 0.8614 ( 2660 PWs) bands (ev): -48.6984 -48.6984 -48.6984 -48.6984 -24.8220 -24.8220 -24.8220 -24.8220 -22.5599 -22.5599 -22.5599 -22.5599 -21.9912 -21.9912 -21.9912 -21.9912 -6.3698 -6.3698 -6.3698 -6.3698 -5.5566 -5.5566 -5.5566 -5.5566 6.0050 6.0050 6.0050 6.0050 6.7869 6.7869 6.7869 6.7869 7.1991 7.1991 7.1991 7.1991 7.3910 7.3910 7.3910 7.3910 8.5865 8.5865 8.5865 8.5865 9.3838 9.3838 9.3838 9.3838 13.8458 13.8458 13.8458 13.8458 14.4398 14.4398 14.4398 14.4398 15.7113 15.7113 15.7113 15.7113 17.4870 17.4870 k = 0.0000 0.5000-0.0000 ( 2680 PWs) bands (ev): -48.7929 -48.7929 -48.7929 -48.7929 -24.5616 -24.5616 -24.5616 -24.5616 -22.1731 -22.1731 -22.1731 -22.1731 -21.9930 -21.9930 -21.9930 -21.9930 -6.6201 -6.6201 -6.6201 -6.6201 -5.6750 -5.6750 -5.6750 -5.6750 5.4887 5.4887 5.4887 5.4887 6.8927 6.8927 6.8927 6.8927 7.1697 7.1697 7.1697 7.1697 7.2993 7.2993 7.2993 7.2993 9.5619 9.5619 9.5619 9.5619 9.8915 9.8915 9.8915 9.8915 12.9276 12.9276 12.9276 12.9276 14.3475 14.3475 14.3475 14.3475 15.1274 15.1274 15.1274 15.1274 17.8389 17.8389 k = 0.0000 0.5000 0.0154 ( 2680 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5621 -24.5621 -24.5613 -24.5613 -22.1730 -22.1730 -22.1730 -22.1730 -21.9942 -21.9942 -21.9929 -21.9929 -6.6198 -6.6198 -6.6183 -6.6183 -5.6761 -5.6761 -5.6753 -5.6753 5.4891 5.4891 5.4920 5.4920 6.8791 6.8791 6.8792 6.8792 7.1726 7.1726 7.1727 7.1727 7.3112 7.3112 7.3115 7.3115 9.5516 9.5516 9.5551 9.5551 9.8935 9.8935 9.8970 9.8970 12.9292 12.9292 12.9312 12.9312 14.3461 14.3461 14.3474 14.3474 15.1246 15.1246 15.1294 15.1294 17.8374 17.8374 k = 0.0000 0.5000 0.0308 ( 2668 PWs) bands (ev): -48.7924 -48.7924 -48.7924 -48.7924 -24.5629 -24.5629 -24.5612 -24.5612 -22.1726 -22.1726 -22.1725 -22.1725 -21.9966 -21.9966 -21.9939 -21.9939 -6.6174 -6.6174 -6.6146 -6.6146 -5.6785 -5.6785 -5.6769 -5.6769 5.4932 5.4932 5.4991 5.4991 6.8435 6.8435 6.8437 6.8437 7.1787 7.1787 7.1790 7.1790 7.3448 7.3448 7.3454 7.3454 9.5258 9.5258 9.5321 9.5321 9.9023 9.9023 9.9086 9.9086 12.9360 12.9360 12.9401 12.9401 14.3430 14.3430 14.3455 14.3455 15.1212 15.1212 15.1307 15.1307 17.8342 17.8342 k = 0.0000 0.5000 0.0461 ( 2666 PWs) bands (ev): -48.7921 -48.7921 -48.7921 -48.7921 -24.5639 -24.5639 -24.5615 -24.5615 -22.1719 -22.1719 -22.1719 -22.1719 -22.0000 -22.0000 -21.9960 -21.9960 -6.6130 -6.6130 -6.6088 -6.6088 -5.6822 -5.6822 -5.6797 -5.6797 5.5011 5.5011 5.5099 5.5099 6.7948 6.7948 6.7949 6.7949 7.1850 7.1850 7.1855 7.1855 7.3942 7.3942 7.3950 7.3950 9.4875 9.4875 9.4956 9.4956 9.9152 9.9152 9.9234 9.9234 12.9480 12.9480 12.9542 12.9542 14.3383 14.3383 14.3421 14.3421 15.1171 15.1171 15.1313 15.1313 17.8290 17.8290 k = 0.0000 0.5000 0.0615 ( 2658 PWs) bands (ev): -48.7914 -48.7914 -48.7914 -48.7914 -24.5652 -24.5652 -24.5620 -24.5620 -22.1710 -22.1710 -22.1710 -22.1710 -22.0045 -22.0045 -21.9992 -21.9992 -6.6066 -6.6066 -6.6010 -6.6010 -5.6873 -5.6873 -5.6839 -5.6839 5.5126 5.5126 5.5244 5.5244 6.7393 6.7393 6.7393 6.7393 7.1912 7.1912 7.1918 7.1918 7.4535 7.4535 7.4544 7.4544 9.4393 9.4393 9.4486 9.4486 9.9297 9.9297 9.9390 9.9390 12.9649 12.9649 12.9731 12.9731 14.3320 14.3320 14.3370 14.3370 15.1124 15.1124 15.1312 15.1312 17.8215 17.8215 k = 0.0000 0.5000 0.0769 ( 2658 PWs) bands (ev): -48.7908 -48.7908 -48.7908 -48.7908 -24.5669 -24.5669 -24.5628 -24.5628 -22.1700 -22.1700 -22.1699 -22.1699 -22.0101 -22.0101 -22.0035 -22.0035 -6.5982 -6.5982 -6.5913 -6.5913 -5.6936 -5.6936 -5.6894 -5.6894 5.5278 5.5278 5.5425 5.5425 6.6805 6.6805 6.6806 6.6806 7.1975 7.1975 7.1983 7.1983 7.5185 7.5185 7.5195 7.5195 9.3834 9.3834 9.3933 9.3933 9.9437 9.9437 9.9537 9.9537 12.9864 12.9864 12.9965 12.9965 14.3243 14.3243 14.3304 14.3304 15.1070 15.1070 15.1304 15.1304 17.8115 17.8115 k = 0.0000 0.5000 0.0923 ( 2662 PWs) bands (ev): -48.7900 -48.7900 -48.7900 -48.7900 -24.5688 -24.5688 -24.5639 -24.5639 -22.1687 -22.1687 -22.1686 -22.1686 -22.0167 -22.0167 -22.0089 -22.0089 -6.5879 -6.5879 -6.5797 -6.5797 -5.7012 -5.7012 -5.6961 -5.6961 5.5466 5.5466 5.5642 5.5642 6.6205 6.6205 6.6208 6.6208 7.2043 7.2043 7.2052 7.2052 7.5867 7.5867 7.5878 7.5878 9.3213 9.3213 9.3315 9.3315 9.9562 9.9562 9.9663 9.9663 13.0121 13.0121 13.0242 13.0242 14.3152 14.3152 14.3223 14.3223 15.1010 15.1010 15.1288 15.1288 17.7984 17.7984 k = 0.0000 0.5000 0.1077 ( 2664 PWs) bands (ev): -48.7891 -48.7891 -48.7891 -48.7891 -24.5709 -24.5709 -24.5652 -24.5652 -22.1672 -22.1672 -22.1670 -22.1670 -22.0243 -22.0243 -22.0153 -22.0153 -6.5756 -6.5756 -6.5662 -6.5662 -5.7101 -5.7101 -5.7040 -5.7040 5.5690 5.5690 5.5895 5.5895 6.5605 6.5605 6.5609 6.5609 7.2117 7.2117 7.2127 7.2127 7.6568 7.6568 7.6579 7.6579 9.2541 9.2541 9.2645 9.2645 9.9663 9.9663 9.9764 9.9764 13.0417 13.0417 13.0558 13.0558 14.3048 14.3048 14.3128 14.3128 15.0944 15.0944 15.1266 15.1266 17.7820 17.7820 k = 0.0000 0.5000 0.1231 ( 2660 PWs) bands (ev): -48.7880 -48.7880 -48.7880 -48.7880 -24.5733 -24.5733 -24.5668 -24.5668 -22.1656 -22.1656 -22.1651 -22.1651 -22.0327 -22.0327 -22.0227 -22.0227 -6.5616 -6.5616 -6.5510 -6.5510 -5.7202 -5.7202 -5.7131 -5.7131 5.5948 5.5948 5.6182 5.6182 6.5011 6.5011 6.5018 6.5018 7.2197 7.2197 7.2209 7.2209 7.7277 7.7277 7.7289 7.7289 9.1828 9.1828 9.1930 9.1930 9.9738 9.9738 9.9836 9.9836 13.0747 13.0747 13.0907 13.0907 14.2932 14.2932 14.3020 14.3020 15.0873 15.0873 15.1238 15.1238 17.7618 17.7618 k = 0.0000 0.5000 0.1384 ( 2662 PWs) bands (ev): -48.7868 -48.7868 -48.7868 -48.7868 -24.5761 -24.5761 -24.5687 -24.5687 -22.1639 -22.1639 -22.1631 -22.1631 -22.0420 -22.0420 -22.0310 -22.0310 -6.5457 -6.5457 -6.5340 -6.5340 -5.7314 -5.7314 -5.7232 -5.7232 5.6241 5.6241 5.6504 5.6504 6.4429 6.4429 6.4438 6.4438 7.2283 7.2283 7.2297 7.2297 7.7987 7.7987 7.8000 7.8000 9.1081 9.1081 9.1181 9.1181 9.9785 9.9785 9.9879 9.9879 13.1106 13.1106 13.1286 13.1286 14.2806 14.2806 14.2900 14.2900 15.0798 15.0798 15.1203 15.1203 17.7376 17.7376 k = 0.0000 0.5000 0.1538 ( 2650 PWs) bands (ev): -48.7854 -48.7854 -48.7854 -48.7854 -24.5790 -24.5790 -24.5708 -24.5708 -22.1620 -22.1620 -22.1608 -22.1608 -22.0520 -22.0520 -22.0402 -22.0402 -6.5281 -6.5281 -6.5154 -6.5154 -5.7437 -5.7437 -5.7344 -5.7344 5.6566 5.6566 5.6858 5.6858 6.3861 6.3861 6.3873 6.3873 7.2374 7.2374 7.2390 7.2390 7.8693 7.8693 7.8708 7.8708 9.0306 9.0306 9.0404 9.0404 9.9803 9.9803 9.9893 9.9893 13.1489 13.1489 13.1689 13.1689 14.2671 14.2671 14.2770 14.2770 15.0718 15.0718 15.1162 15.1162 17.7094 17.7094 k = 0.0000 0.5000 0.1692 ( 2654 PWs) bands (ev): -48.7840 -48.7840 -48.7840 -48.7840 -24.5823 -24.5823 -24.5733 -24.5733 -22.1603 -22.1603 -22.1583 -22.1583 -22.0626 -22.0626 -22.0502 -22.0502 -6.5088 -6.5088 -6.4953 -6.4953 -5.7571 -5.7571 -5.7466 -5.7466 5.6924 5.6924 5.7243 5.7243 6.3311 6.3311 6.3327 6.3327 7.2469 7.2469 7.2486 7.2486 7.9391 7.9391 7.9408 7.9408 8.9513 8.9513 8.9606 8.9606 9.9795 9.9795 9.9878 9.9878 13.1891 13.1891 13.2111 13.2111 14.2531 14.2531 14.2631 14.2631 15.0634 15.0634 15.1116 15.1116 17.6772 17.6772 k = 0.0000 0.5000 0.1846 ( 2652 PWs) bands (ev): -48.7824 -48.7824 -48.7824 -48.7824 -24.5858 -24.5858 -24.5761 -24.5761 -22.1588 -22.1588 -22.1557 -22.1557 -22.0735 -22.0735 -22.0609 -22.0609 -6.4881 -6.4881 -6.4738 -6.4738 -5.7714 -5.7714 -5.7596 -5.7596 5.7313 5.7313 5.7659 5.7659 6.2781 6.2781 6.2801 6.2801 7.2564 7.2564 7.2584 7.2584 8.0075 8.0075 8.0096 8.0096 8.8707 8.8707 8.8794 8.8794 9.9759 9.9759 9.9836 9.9836 13.2305 13.2305 13.2547 13.2547 14.2387 14.2387 14.2487 14.2487 15.0547 15.0547 15.1066 15.1066 17.6415 17.6415 k = 0.0000 0.5000 0.2000 ( 2656 PWs) bands (ev): -48.7807 -48.7807 -48.7807 -48.7807 -24.5897 -24.5897 -24.5791 -24.5791 -22.1578 -22.1578 -22.1531 -22.1531 -22.0845 -22.0845 -22.0724 -22.0724 -6.4659 -6.4659 -6.4510 -6.4510 -5.7867 -5.7867 -5.7734 -5.7734 5.7731 5.7731 5.8103 5.8103 6.2271 6.2271 6.2296 6.2296 7.2659 7.2659 7.2681 7.2681 8.0740 8.0740 8.0767 8.0767 8.7899 8.7899 8.7977 8.7977 9.9699 9.9699 9.9769 9.9769 13.2726 13.2726 13.2990 13.2990 14.2243 14.2243 14.2340 14.2340 15.0457 15.0457 15.1011 15.1011 17.6027 17.6027 k = 0.0000 0.5000 0.2154 ( 2656 PWs) bands (ev): -48.7789 -48.7789 -48.7789 -48.7789 -24.5938 -24.5938 -24.5824 -24.5824 -22.1578 -22.1578 -22.1504 -22.1504 -22.0949 -22.0949 -22.0842 -22.0842 -6.4424 -6.4424 -6.4272 -6.4272 -5.8027 -5.8027 -5.7877 -5.7877 5.8177 5.8177 5.8572 5.8572 6.1784 6.1784 6.1817 6.1817 7.2748 7.2748 7.2773 7.2773 8.1378 8.1378 8.1416 8.1416 8.7100 8.7100 8.7165 8.7165 9.9616 9.9616 9.9678 9.9678 13.3146 13.3146 13.3435 13.3435 14.2104 14.2104 14.2195 14.2195 15.0366 15.0366 15.0954 15.0954 17.5614 17.5614 k = 0.0000 0.5000 0.2307 ( 2652 PWs) bands (ev): -48.7770 -48.7770 -48.7770 -48.7770 -24.5982 -24.5982 -24.5860 -24.5860 -22.1597 -22.1597 -22.1478 -22.1478 -22.1038 -22.1038 -22.0963 -22.0963 -6.4178 -6.4178 -6.4025 -6.4025 -5.8194 -5.8194 -5.8025 -5.8025 5.8648 5.8648 5.9062 5.9062 6.1319 6.1319 6.1365 6.1365 7.2829 7.2829 7.2856 7.2856 8.1976 8.1976 8.2036 8.2036 8.6329 8.6329 8.6370 8.6370 9.9511 9.9511 9.9564 9.9564 13.3557 13.3557 13.3873 13.3873 14.1974 14.1974 14.2056 14.2056 15.0274 15.0274 15.0894 15.0894 17.5181 17.5181 k = 0.0000 0.5000 0.2461 ( 2656 PWs) bands (ev): -48.7750 -48.7750 -48.7750 -48.7750 -24.6029 -24.6029 -24.5899 -24.5899 -22.1645 -22.1645 -22.1461 -22.1461 -22.1103 -22.1103 -22.1081 -22.1081 -6.3922 -6.3922 -6.3771 -6.3771 -5.8366 -5.8366 -5.8176 -5.8176 5.9144 5.9144 5.9561 5.9561 6.0880 6.0880 6.0952 6.0952 7.2896 7.2896 7.2925 7.2925 8.2508 8.2508 8.2610 8.2610 8.5615 8.5615 8.5618 8.5618 9.9385 9.9385 9.9431 9.9431 13.3951 13.3951 13.4296 13.4296 14.1861 14.1861 14.1931 14.1931 15.0181 15.0181 15.0832 15.0832 17.4735 17.4735 k = 0.0000 0.5000 0.2615 ( 2656 PWs) bands (ev): -48.7729 -48.7729 -48.7729 -48.7729 -24.6079 -24.6079 -24.5941 -24.5941 -22.1728 -22.1728 -22.1466 -22.1466 -22.1180 -22.1180 -22.1135 -22.1135 -6.3659 -6.3659 -6.3514 -6.3514 -5.8542 -5.8542 -5.8325 -5.8325 5.9659 5.9659 5.9995 5.9995 6.0466 6.0466 6.0649 6.0649 7.2942 7.2942 7.2973 7.2973 8.2894 8.2894 8.3087 8.3087 8.4959 8.4959 8.5054 8.5054 9.9242 9.9242 9.9279 9.9279 13.4317 13.4317 13.4693 13.4693 14.1774 14.1774 14.1828 14.1828 15.0090 15.0090 15.0770 15.0770 17.4283 17.4283 k = 0.0000 0.5000 0.2769 ( 2652 PWs) bands (ev): -48.7707 -48.7707 -48.7707 -48.7707 -24.6131 -24.6131 -24.5986 -24.5986 -22.1840 -22.1840 -22.1522 -22.1522 -22.1229 -22.1229 -22.1140 -22.1140 -6.3391 -6.3391 -6.3258 -6.3258 -5.8717 -5.8717 -5.8471 -5.8471 5.9975 5.9975 6.0040 6.0040 6.0231 6.0231 6.0843 6.0843 7.2960 7.2960 7.2993 7.2993 8.2956 8.2956 8.3271 8.3271 8.4608 8.4608 8.4827 8.4827 9.9083 9.9083 9.9110 9.9110 13.4643 13.4643 13.5053 13.5053 14.1722 14.1722 14.1758 14.1758 15.0001 15.0001 15.0708 15.0708 17.3831 17.3831 k = 0.0000 0.5000 0.2923 ( 2648 PWs) bands (ev): -48.7684 -48.7684 -48.7684 -48.7684 -24.6186 -24.6186 -24.6033 -24.6033 -22.1973 -22.1973 -22.1631 -22.1631 -22.1228 -22.1228 -22.1126 -22.1126 -6.3123 -6.3123 -6.3008 -6.3008 -5.8890 -5.8890 -5.8607 -5.8607 5.9671 5.9671 5.9699 5.9699 6.0759 6.0759 6.1362 6.1362 7.2942 7.2942 7.2976 7.2976 8.2631 8.2631 8.2953 8.2953 8.4781 8.4781 8.5007 8.5007 9.8909 9.8909 9.8927 9.8927 13.4917 13.4917 13.5359 13.5359 14.1717 14.1717 14.1734 14.1734 14.9914 14.9914 15.0648 15.0648 17.3383 17.3383 k = 0.0000 0.5000 0.3076 ( 2648 PWs) bands (ev): -48.7660 -48.7660 -48.7660 -48.7660 -24.6244 -24.6244 -24.6083 -24.6083 -22.2119 -22.2119 -22.1765 -22.1765 -22.1203 -22.1203 -22.1101 -22.1101 -6.2859 -6.2859 -6.2769 -6.2769 -5.9055 -5.9055 -5.8729 -5.8729 5.9350 5.9350 5.9361 5.9361 6.1321 6.1321 6.1932 6.1932 7.2880 7.2880 7.2912 7.2912 8.2149 8.2149 8.2440 8.2440 8.5181 8.5181 8.5379 8.5379 9.8722 9.8722 9.8731 9.8731 13.5125 13.5125 13.5599 13.5599 14.1769 14.1769 14.1770 14.1770 14.9830 14.9830 15.0591 15.0591 17.2944 17.2944 k = 0.0000 0.5000 0.3230 ( 2640 PWs) bands (ev): -48.7635 -48.7635 -48.7635 -48.7635 -24.6304 -24.6304 -24.6136 -24.6136 -22.2273 -22.2273 -22.1910 -22.1910 -22.1167 -22.1167 -22.1068 -22.1068 -6.2607 -6.2607 -6.2552 -6.2552 -5.9205 -5.9205 -5.8827 -5.8827 5.9046 5.9046 5.9047 5.9047 6.1892 6.1892 6.2515 6.2515 7.2764 7.2764 7.2793 7.2793 8.1664 8.1664 8.1937 8.1937 8.5619 8.5619 8.5801 8.5801 9.8524 9.8524 9.8525 9.8525 13.5258 13.5258 13.5759 13.5759 14.1878 14.1878 14.1889 14.1889 14.9751 14.9751 15.0537 15.0537 17.2520 17.2520 k = 0.0000 0.5000 0.3384 ( 2646 PWs) bands (ev): -48.7611 -48.7611 -48.7611 -48.7611 -24.6368 -24.6368 -24.6192 -24.6192 -22.2432 -22.2432 -22.2062 -22.2062 -22.1128 -22.1128 -22.1031 -22.1031 -6.2378 -6.2378 -6.2366 -6.2366 -5.9331 -5.9331 -5.8891 -5.8891 5.8758 5.8758 5.8764 5.8764 6.2463 6.2463 6.3099 6.3099 7.2592 7.2592 7.2612 7.2612 8.1234 8.1234 8.1498 8.1498 8.6046 8.6046 8.6223 8.6223 9.8308 9.8308 9.8318 9.8318 13.5310 13.5310 13.5831 13.5831 14.2063 14.2063 14.2079 14.2079 14.9678 14.9678 15.0487 15.0487 17.2113 17.2113 k = 0.0000 0.5000 0.3538 ( 2646 PWs) bands (ev): -48.7586 -48.7586 -48.7586 -48.7586 -24.6433 -24.6433 -24.6250 -24.6250 -22.2595 -22.2595 -22.2216 -22.2216 -22.1085 -22.1085 -22.0990 -22.0990 -6.2223 -6.2223 -6.2185 -6.2185 -5.9417 -5.9417 -5.8912 -5.8912 5.8495 5.8495 5.8506 5.8506 6.3025 6.3025 6.3669 6.3669 7.2367 7.2367 7.2370 7.2370 8.0885 8.0885 8.1145 8.1145 8.6450 8.6450 8.6628 8.6628 9.8085 9.8085 9.8105 9.8105 13.5281 13.5281 13.5815 13.5815 14.2328 14.2328 14.2340 14.2340 14.9610 14.9610 15.0444 15.0444 17.1726 17.1726 k = 0.0000 0.5000 0.3692 ( 2650 PWs) bands (ev): -48.7561 -48.7561 -48.7561 -48.7561 -24.6501 -24.6501 -24.6311 -24.6311 -22.2760 -22.2760 -22.2371 -22.2371 -22.1040 -22.1040 -22.0947 -22.0947 -6.2132 -6.2132 -6.2045 -6.2045 -5.9449 -5.9449 -5.8877 -5.8877 5.8258 5.8258 5.8273 5.8273 6.3566 6.3566 6.4210 6.4210 7.2078 7.2078 7.2101 7.2101 8.0626 8.0626 8.0883 8.0883 8.6825 8.6825 8.7007 8.7007 9.7858 9.7858 9.7886 9.7886 13.5176 13.5176 13.5716 13.5716 14.2665 14.2665 14.2666 14.2666 14.9550 14.9550 15.0407 15.0407 17.1364 17.1364 k = 0.0000 0.5000 0.3846 ( 2654 PWs) bands (ev): -48.7536 -48.7536 -48.7536 -48.7536 -24.6572 -24.6572 -24.6374 -24.6374 -22.2925 -22.2925 -22.2527 -22.2527 -22.0994 -22.0994 -22.0901 -22.0901 -6.2099 -6.2099 -6.1972 -6.1972 -5.9411 -5.9411 -5.8784 -5.8784 5.8045 5.8045 5.8064 5.8064 6.4068 6.4068 6.4699 6.4699 7.1755 7.1755 7.1820 7.1820 8.0454 8.0454 8.0711 8.0711 8.7167 8.7167 8.7358 8.7358 9.7627 9.7627 9.7665 9.7665 13.5002 13.5002 13.5543 13.5543 14.3046 14.3046 14.3064 14.3064 14.9498 14.9498 15.0379 15.0379 17.1028 17.1028 k = 0.0000 0.5000 0.3999 ( 2654 PWs) bands (ev): -48.7510 -48.7510 -48.7510 -48.7510 -24.6644 -24.6644 -24.6439 -24.6439 -22.3090 -22.3090 -22.2683 -22.2683 -22.0946 -22.0946 -22.0854 -22.0854 -6.2124 -6.2124 -6.1973 -6.1973 -5.9299 -5.9299 -5.8632 -5.8632 5.7858 5.7858 5.7880 5.7880 6.4506 6.4506 6.5103 6.5103 7.1435 7.1435 7.1565 7.1565 8.0362 8.0362 8.0620 8.0620 8.7477 8.7477 8.7677 8.7677 9.7395 9.7395 9.7443 9.7443 13.4770 13.4770 13.5308 13.5308 14.3472 14.3472 14.3515 14.3515 14.9454 14.9454 15.0360 15.0360 17.0719 17.0719 k = 0.0000 0.5000 0.4153 ( 2658 PWs) bands (ev): -48.7484 -48.7484 -48.7484 -48.7484 -24.6718 -24.6718 -24.6506 -24.6506 -22.3254 -22.3254 -22.2838 -22.2838 -22.0898 -22.0898 -22.0806 -22.0806 -6.2199 -6.2199 -6.2040 -6.2040 -5.9119 -5.9119 -5.8429 -5.8429 5.7694 5.7694 5.7719 5.7719 6.4845 6.4845 6.5380 6.5380 7.1164 7.1164 7.1385 7.1385 8.0339 8.0339 8.0599 8.0599 8.7752 8.7752 8.7964 8.7964 9.7165 9.7165 9.7221 9.7221 13.4488 13.4488 13.5020 13.5020 14.3932 14.3932 14.4004 14.4004 14.9420 14.9420 15.0352 15.0352 17.0441 17.0441 k = 0.0000 0.5000 0.4307 ( 2654 PWs) bands (ev): -48.7457 -48.7457 -48.7457 -48.7457 -24.6793 -24.6793 -24.6575 -24.6575 -22.3416 -22.3416 -22.2990 -22.2990 -22.0849 -22.0849 -22.0757 -22.0757 -6.2314 -6.2314 -6.2159 -6.2159 -5.8887 -5.8887 -5.8186 -5.8186 5.7555 5.7555 5.7582 5.7582 6.5042 6.5042 6.5489 6.5489 7.0995 7.0995 7.1335 7.1335 8.0372 8.0372 8.0637 8.0637 8.7993 8.7993 8.8219 8.8219 9.6939 9.6939 9.7003 9.7003 13.4164 13.4164 13.4690 13.4690 14.4416 14.4416 14.4523 14.4523 14.9398 14.9398 15.0357 15.0357 17.0193 17.0193 k = 0.0000 0.5000 0.4461 ( 2654 PWs) bands (ev): -48.7431 -48.7431 -48.7431 -48.7431 -24.6870 -24.6870 -24.6645 -24.6645 -22.3575 -22.3575 -22.3141 -22.3141 -22.0800 -22.0800 -22.0708 -22.0708 -6.2460 -6.2460 -6.2315 -6.2315 -5.8617 -5.8617 -5.7911 -5.7911 5.7438 5.7438 5.7469 5.7469 6.5064 6.5064 6.5406 6.5406 7.0973 7.0973 7.1447 7.1447 8.0449 8.0449 8.0719 8.0719 8.8202 8.8202 8.8441 8.8441 9.6719 9.6719 9.6790 9.6790 13.3804 13.3804 13.4324 13.4324 14.4916 14.4916 14.5061 14.5061 14.9389 14.9389 15.0377 15.0377 16.9977 16.9977 k = 0.0000 0.5000 0.4615 ( 2654 PWs) bands (ev): -48.7404 -48.7404 -48.7404 -48.7404 -24.6948 -24.6948 -24.6717 -24.6717 -22.3732 -22.3732 -22.3289 -22.3289 -22.0751 -22.0751 -22.0659 -22.0659 -6.2629 -6.2629 -6.2496 -6.2496 -5.8321 -5.8321 -5.7614 -5.7614 5.7344 5.7344 5.7377 5.7377 6.4900 6.4900 6.5141 6.5141 7.1115 7.1115 7.1719 7.1719 8.0559 8.0559 8.0837 8.0837 8.8378 8.8378 8.8631 8.8631 9.6507 9.6507 9.6585 9.6585 13.3415 13.3415 13.3928 13.3928 14.5422 14.5422 14.5610 14.5610 14.9396 14.9396 15.0414 15.0414 16.9794 16.9794 k = 0.0000 0.5000 0.4768 ( 2658 PWs) bands (ev): -48.7379 -48.7379 -48.7379 -48.7379 -24.7028 -24.7028 -24.6790 -24.6790 -22.3886 -22.3886 -22.3434 -22.3434 -22.0702 -22.0702 -22.0609 -22.0609 -6.2814 -6.2814 -6.2694 -6.2694 -5.8009 -5.8009 -5.7302 -5.7302 5.7271 5.7271 5.7307 5.7307 6.4573 6.4573 6.4733 6.4733 7.1407 7.1407 7.2119 7.2119 8.0693 8.0693 8.0979 8.0979 8.8522 8.8522 8.8791 8.8791 9.6307 9.6307 9.6391 9.6391 13.3002 13.3002 13.3509 13.3509 14.5927 14.5927 14.6159 14.6159 14.9425 14.9425 15.0473 15.0473 16.9643 16.9643 k = 0.0000 0.5000 0.4922 ( 2666 PWs) bands (ev): -48.7354 -48.7354 -48.7354 -48.7354 -24.7108 -24.7108 -24.6865 -24.6865 -22.4036 -22.4036 -22.3575 -22.3575 -22.0653 -22.0653 -22.0560 -22.0560 -6.3010 -6.3010 -6.2903 -6.2903 -5.7687 -5.7687 -5.6980 -5.6980 5.7219 5.7219 5.7257 5.7257 6.4124 6.4124 6.4224 6.4224 7.1811 7.1811 7.2611 7.2611 8.0842 8.0842 8.1139 8.1139 8.8638 8.8638 8.8920 8.8920 9.6121 9.6121 9.6208 9.6208 13.2568 13.2568 13.3069 13.3069 14.6419 14.6419 14.6695 14.6695 14.9482 14.9482 15.0557 15.0557 16.9526 16.9526 k = 0.0000 0.5000 0.5076 ( 2666 PWs) bands (ev): -48.7328 -48.7328 -48.7328 -48.7328 -24.7188 -24.7188 -24.6939 -24.6939 -22.4181 -22.4181 -22.3712 -22.3712 -22.0604 -22.0604 -22.0511 -22.0511 -6.3213 -6.3213 -6.3118 -6.3118 -5.7360 -5.7360 -5.6653 -5.6653 5.7185 5.7185 5.7226 5.7226 6.3594 6.3594 6.3650 6.3650 7.2293 7.2293 7.3161 7.3161 8.0999 8.0999 8.1307 8.1307 8.8726 8.8726 8.9020 8.9020 9.5952 9.5952 9.6040 9.6040 13.2117 13.2117 13.2613 13.2613 14.6890 14.6890 14.7202 14.7202 14.9581 14.9581 15.0673 15.0673 16.9441 16.9441 k = 0.0000 0.5000 0.5230 ( 2662 PWs) bands (ev): -48.7302 -48.7302 -48.7302 -48.7302 -24.7268 -24.7268 -24.7014 -24.7014 -22.4321 -22.4321 -22.3845 -22.3845 -22.0556 -22.0556 -22.0462 -22.0462 -6.3420 -6.3420 -6.3336 -6.3336 -5.7031 -5.7031 -5.6323 -5.6323 5.7169 5.7169 5.7214 5.7214 6.3015 6.3015 6.3039 6.3039 7.2822 7.2822 7.3746 7.3746 8.1159 8.1159 8.1479 8.1479 8.8789 8.8789 8.9094 8.9094 9.5802 9.5802 9.5890 9.5890 13.1653 13.1653 13.2144 13.2144 14.7329 14.7329 14.7656 14.7656 14.9742 14.9742 15.0827 15.0827 16.9390 16.9390 k = 0.0000 0.5000 0.5384 ( 2658 PWs) bands (ev): -48.7277 -48.7277 -48.7277 -48.7277 -24.7347 -24.7347 -24.7088 -24.7088 -22.4457 -22.4457 -22.3973 -22.3973 -22.0509 -22.0509 -22.0414 -22.0414 -6.3629 -6.3629 -6.3554 -6.3554 -5.6703 -5.6703 -5.5993 -5.5993 5.7168 5.7168 5.7217 5.7217 6.2408 6.2408 6.2408 6.2408 7.3378 7.3378 7.4350 7.4350 8.1318 8.1318 8.1648 8.1648 8.8830 8.8830 8.9141 8.9141 9.5674 9.5674 9.5758 9.5758 13.1178 13.1178 13.1665 13.1665 14.7724 14.7724 14.8028 14.8028 14.9989 14.9989 15.1025 15.1025 16.9371 16.9371 k = 0.0000 0.5000 0.5538 ( 2654 PWs) bands (ev): -48.7252 -48.7252 -48.7252 -48.7252 -24.7426 -24.7426 -24.7163 -24.7163 -22.4587 -22.4587 -22.4096 -22.4096 -22.0463 -22.0463 -22.0367 -22.0367 -6.3836 -6.3836 -6.3770 -6.3770 -5.6378 -5.6378 -5.5667 -5.5667 5.7182 5.7182 5.7236 5.7236 6.1772 6.1772 6.1793 6.1793 7.3947 7.3947 7.4961 7.4961 8.1470 8.1470 8.1810 8.1810 8.8849 8.8849 8.9165 8.9165 9.5570 9.5570 9.5648 9.5648 13.0696 13.0696 13.1179 13.1179 14.8069 14.8069 14.8306 14.8306 15.0331 15.0331 15.1272 15.1272 16.9383 16.9383 k = 0.0000 0.5000 0.5691 ( 2660 PWs) bands (ev): -48.7230 -48.7230 -48.7230 -48.7230 -24.7505 -24.7505 -24.7237 -24.7237 -22.4712 -22.4712 -22.4214 -22.4214 -22.0418 -22.0418 -22.0322 -22.0322 -6.4042 -6.4042 -6.3984 -6.3984 -5.6059 -5.6059 -5.5345 -5.5345 5.7206 5.7206 5.7266 5.7266 6.1141 6.1141 6.1180 6.1180 7.4515 7.4515 7.5568 7.5568 8.1614 8.1614 8.1960 8.1960 8.8852 8.8852 8.9167 8.9167 9.5492 9.5492 9.5562 9.5562 13.0209 13.0209 13.0689 13.0689 14.8361 14.8361 14.8499 14.8499 15.0755 15.0755 15.1567 15.1567 16.9426 16.9426 k = 0.0000 0.5000 0.5845 ( 2656 PWs) bands (ev): -48.7206 -48.7206 -48.7206 -48.7206 -24.7581 -24.7581 -24.7309 -24.7309 -22.4831 -22.4831 -22.4326 -22.4326 -22.0374 -22.0374 -22.0277 -22.0277 -6.4244 -6.4244 -6.4193 -6.4193 -5.5747 -5.5747 -5.5030 -5.5030 5.7236 5.7236 5.7306 5.7306 6.0524 6.0524 6.0582 6.0582 7.5076 7.5076 7.6166 7.6166 8.1746 8.1746 8.2096 8.2096 8.8838 8.8838 8.9149 8.9149 9.5442 9.5442 9.5500 9.5500 12.9721 12.9721 13.0198 13.0198 14.8600 14.8600 14.8633 14.8633 15.1231 15.1231 15.1904 15.1904 16.9498 16.9498 k = 0.0000 0.5000 0.5999 ( 2660 PWs) bands (ev): -48.7185 -48.7185 -48.7185 -48.7185 -24.7657 -24.7657 -24.7380 -24.7380 -22.4944 -22.4944 -22.4434 -22.4434 -22.0332 -22.0332 -22.0234 -22.0234 -6.4441 -6.4441 -6.4396 -6.4396 -5.5443 -5.5443 -5.4724 -5.4724 5.7267 5.7267 5.7350 5.7350 5.9931 5.9931 6.0010 6.0010 7.5622 7.5622 7.6748 7.6748 8.1867 8.1867 8.2216 8.2216 8.8812 8.8812 8.9112 8.9112 9.5420 9.5420 9.5464 9.5464 12.9233 12.9233 12.9708 12.9708 14.8730 14.8730 14.8794 14.8794 15.1733 15.1733 15.2273 15.2273 16.9564 16.9564 k = 0.0000 0.5000 0.6153 ( 2658 PWs) bands (ev): -48.7163 -48.7163 -48.7163 -48.7163 -24.7730 -24.7730 -24.7450 -24.7450 -22.5051 -22.5051 -22.4535 -22.4535 -22.0291 -22.0291 -22.0192 -22.0192 -6.4631 -6.4631 -6.4593 -6.4593 -5.5150 -5.5150 -5.4427 -5.4427 5.7287 5.7287 5.7389 5.7389 5.9372 5.9372 5.9477 5.9477 7.6147 7.6147 7.7309 7.7309 8.1976 8.1976 8.2317 8.2317 8.8775 8.8775 8.9060 8.9060 9.5425 9.5425 9.5453 9.5453 12.8749 12.8749 12.9222 12.9222 14.8804 14.8804 14.8952 14.8952 15.2243 15.2243 15.2661 15.2661 16.9650 16.9650 k = 0.0000 0.5000 0.6307 ( 2658 PWs) bands (ev): -48.7143 -48.7143 -48.7143 -48.7143 -24.7801 -24.7801 -24.7517 -24.7517 -22.5152 -22.5152 -22.4630 -22.4630 -22.0252 -22.0252 -22.0152 -22.0152 -6.4815 -6.4815 -6.4782 -6.4782 -5.4868 -5.4868 -5.4142 -5.4142 5.7275 5.7275 5.7404 5.7404 5.8870 5.8870 5.9007 5.9007 7.6645 7.6645 7.7845 7.7845 8.2074 8.2074 8.2401 8.2401 8.8729 8.8729 8.8995 8.8995 9.5458 9.5458 9.5469 9.5469 12.8272 12.8272 12.8743 12.8743 14.8865 14.8865 14.9082 14.9082 15.2748 15.2748 15.3057 15.3057 16.9758 16.9758 k = 0.0000 0.5000 0.6461 ( 2664 PWs) bands (ev): -48.7124 -48.7124 -48.7124 -48.7124 -24.7870 -24.7870 -24.7582 -24.7582 -22.5247 -22.5247 -22.4720 -22.4720 -22.0214 -22.0214 -22.0115 -22.0115 -6.4991 -6.4991 -6.4962 -6.4962 -5.4598 -5.4598 -5.3869 -5.3869 5.7195 5.7195 5.7349 5.7349 5.8470 5.8470 5.8639 5.8639 7.7111 7.7111 7.8352 7.8352 8.2164 8.2164 8.2468 8.2468 8.8677 8.8677 8.8918 8.8918 9.5509 9.5509 9.5515 9.5515 12.7804 12.7804 12.8274 12.8274 14.8916 14.8916 14.9189 14.9189 15.3240 15.3240 15.3451 15.3451 16.9885 16.9885 k = 0.0000 0.5000 0.6614 ( 2658 PWs) bands (ev): -48.7105 -48.7105 -48.7105 -48.7105 -24.7934 -24.7934 -24.7644 -24.7644 -22.5335 -22.5335 -22.4803 -22.4803 -22.0179 -22.0179 -22.0078 -22.0078 -6.5158 -6.5158 -6.5133 -6.5133 -5.4341 -5.4341 -5.3610 -5.3610 5.7005 5.7005 5.7157 5.7157 5.8242 5.8242 5.8413 5.8413 7.7541 7.7541 7.8824 7.8824 8.2249 8.2249 8.2523 8.2523 8.8618 8.8618 8.8831 8.8831 9.5572 9.5572 9.5596 9.5596 12.7349 12.7349 12.7819 12.7819 14.8962 14.8962 14.9280 14.9280 15.3713 15.3713 15.3835 15.3835 17.0029 17.0029 k = 0.0000 0.5000 0.6768 ( 2656 PWs) bands (ev): -48.7088 -48.7088 -48.7088 -48.7088 -24.7996 -24.7996 -24.7703 -24.7703 -22.5417 -22.5417 -22.4881 -22.4881 -22.0145 -22.0145 -22.0044 -22.0044 -6.5315 -6.5315 -6.5294 -6.5294 -5.4100 -5.4100 -5.3366 -5.3366 5.6712 5.6712 5.6832 5.6832 5.8182 5.8182 5.8325 5.8325 7.7928 7.7928 7.9258 7.9258 8.2333 8.2333 8.2568 8.2568 8.8557 8.8557 8.8738 8.8738 9.5656 9.5656 9.5695 9.5695 12.6910 12.6910 12.7379 12.7379 14.9003 14.9003 14.9359 14.9359 15.4161 15.4161 15.4203 15.4203 17.0188 17.0188 k = 0.0000 0.5000 0.6922 ( 2656 PWs) bands (ev): -48.7072 -48.7072 -48.7072 -48.7072 -24.8054 -24.8054 -24.7759 -24.7759 -22.5492 -22.5492 -22.4952 -22.4952 -22.0114 -22.0114 -22.0013 -22.0013 -6.5462 -6.5462 -6.5445 -6.5445 -5.3874 -5.3874 -5.3137 -5.3137 5.6366 5.6366 5.6454 5.6454 5.8208 5.8208 5.8324 5.8324 7.8271 7.8271 7.9647 7.9647 8.2420 8.2420 8.2609 8.2609 8.8492 8.8492 8.8641 8.8641 9.5755 9.5755 9.5810 9.5810 12.6489 12.6489 12.6958 12.6958 14.9041 14.9041 14.9427 14.9427 15.4550 15.4550 15.4582 15.4582 17.0357 17.0357 k = 0.0000 0.5000 0.7076 ( 2660 PWs) bands (ev): -48.7057 -48.7057 -48.7057 -48.7057 -24.8109 -24.8109 -24.7811 -24.7811 -22.5561 -22.5561 -22.5018 -22.5018 -22.0085 -22.0085 -21.9983 -21.9983 -6.5599 -6.5599 -6.5584 -6.5584 -5.3664 -5.3664 -5.2925 -5.2925 5.6010 5.6010 5.6074 5.6074 5.8271 5.8271 5.8368 5.8368 7.8564 7.8564 7.9988 7.9988 8.2514 8.2514 8.2654 8.2654 8.8427 8.8427 8.8541 8.8541 9.5868 9.5868 9.5936 9.5936 12.6091 12.6091 12.6560 12.6560 14.9075 14.9075 14.9486 14.9486 15.4873 15.4873 15.4971 15.4971 17.0533 17.0533 k = 0.0000 0.5000 0.7230 ( 2664 PWs) bands (ev): -48.7044 -48.7044 -48.7044 -48.7044 -24.8159 -24.8159 -24.7859 -24.7859 -22.5624 -22.5624 -22.5077 -22.5077 -22.0059 -22.0059 -21.9957 -21.9957 -6.5724 -6.5724 -6.5712 -6.5712 -5.3472 -5.3472 -5.2730 -5.2730 5.5665 5.5665 5.5713 5.5713 5.8349 5.8349 5.8433 5.8433 7.8809 7.8809 8.0274 8.0274 8.2616 8.2616 8.2708 8.2708 8.8362 8.8362 8.8441 8.8441 9.5988 9.5988 9.6069 9.6069 12.5718 12.5718 12.6187 12.6187 14.9107 14.9107 14.9538 14.9538 15.5169 15.5169 15.5327 15.5327 17.0712 17.0712 k = 0.0000 0.5000 0.7383 ( 2656 PWs) bands (ev): -48.7031 -48.7031 -48.7031 -48.7031 -24.8204 -24.8204 -24.7902 -24.7902 -22.5679 -22.5679 -22.5130 -22.5130 -22.0035 -22.0035 -21.9932 -21.9932 -6.5837 -6.5837 -6.5827 -6.5827 -5.3298 -5.3298 -5.2554 -5.2554 5.5344 5.5344 5.5380 5.5380 5.8430 5.8430 5.8506 5.8506 7.9005 7.9005 8.0503 8.0503 8.2727 8.2727 8.2776 8.2776 8.8298 8.8298 8.8342 8.8342 9.6113 9.6113 9.6203 9.6203 12.5373 12.5373 12.5843 12.5843 14.9136 14.9136 14.9583 14.9583 15.5436 15.5436 15.5648 15.5648 17.0889 17.0889 k = 0.0000 0.5000 0.7537 ( 2656 PWs) bands (ev): -48.7020 -48.7020 -48.7020 -48.7020 -24.8245 -24.8245 -24.7941 -24.7941 -22.5728 -22.5728 -22.5176 -22.5176 -22.0014 -22.0014 -21.9911 -21.9911 -6.5938 -6.5938 -6.5930 -6.5930 -5.3143 -5.3143 -5.2397 -5.2397 5.5053 5.5053 5.5081 5.5081 5.8511 5.8511 5.8582 5.8582 7.9157 7.9157 8.0676 8.0676 8.2844 8.2844 8.2859 8.2859 8.8238 8.8238 8.8248 8.8248 9.6236 9.6236 9.6335 9.6335 12.5059 12.5059 12.5530 12.5530 14.9161 14.9161 14.9623 14.9623 15.5672 15.5672 15.5933 15.5933 17.1060 17.1060 k = 0.0000 0.5000 0.7691 ( 2652 PWs) bands (ev): -48.7010 -48.7010 -48.7010 -48.7010 -24.8280 -24.8280 -24.7975 -24.7975 -22.5771 -22.5771 -22.5216 -22.5216 -21.9995 -21.9995 -21.9892 -21.9892 -6.6026 -6.6026 -6.6020 -6.6020 -5.3007 -5.3007 -5.2259 -5.2259 5.4797 5.4797 5.4818 5.4818 5.8586 5.8586 5.8654 5.8654 7.9270 7.9270 8.0798 8.0798 8.2955 8.2955 8.2963 8.2963 8.8160 8.8160 8.8182 8.8182 9.6353 9.6353 9.6459 9.6459 12.4781 12.4781 12.5252 12.5252 14.9184 14.9184 14.9657 14.9657 15.5878 15.5878 15.6181 15.6181 17.1220 17.1220 k = 0.0000 0.5000 0.7845 ( 2652 PWs) bands (ev): -48.7002 -48.7002 -48.7002 -48.7002 -24.8311 -24.8311 -24.8005 -24.8005 -22.5807 -22.5807 -22.5250 -22.5250 -21.9979 -21.9979 -21.9875 -21.9875 -6.6101 -6.6101 -6.6097 -6.6097 -5.2891 -5.2891 -5.2141 -5.2141 5.4577 5.4577 5.4593 5.4593 5.8655 5.8655 5.8720 5.8720 7.9351 7.9351 8.0879 8.0879 8.3056 8.3056 8.3078 8.3078 8.8080 8.8080 8.8132 8.8132 9.6461 9.6461 9.6572 9.6572 12.4539 12.4539 12.5011 12.5011 14.9203 14.9203 14.9685 14.9685 15.6052 15.6052 15.6391 15.6391 17.1364 17.1364 k = 0.0000 0.5000 0.7999 ( 2656 PWs) bands (ev): -48.6996 -48.6996 -48.6996 -48.6996 -24.8336 -24.8336 -24.8029 -24.8029 -22.5836 -22.5836 -22.5279 -22.5279 -21.9966 -21.9966 -21.9862 -21.9862 -6.6163 -6.6163 -6.6160 -6.6160 -5.2796 -5.2796 -5.2045 -5.2045 5.4395 5.4395 5.4408 5.4408 5.8713 5.8713 5.8777 5.8777 7.9406 7.9406 8.0929 8.0929 8.3153 8.3153 8.3183 8.3183 8.8011 8.8011 8.8089 8.8089 9.6555 9.6555 9.6670 9.6670 12.4338 12.4338 12.4811 12.4811 14.9219 14.9219 14.9709 14.9709 15.6195 15.6195 15.6562 15.6562 17.1489 17.1489 k = 0.0000 0.5000 0.8153 ( 2668 PWs) bands (ev): -48.6992 -48.6992 -48.6992 -48.6992 -24.8357 -24.8357 -24.8049 -24.8049 -22.5860 -22.5860 -22.5301 -22.5301 -21.9957 -21.9957 -21.9852 -21.9852 -6.6211 -6.6211 -6.6209 -6.6209 -5.2721 -5.2721 -5.1969 -5.1969 5.4252 5.4252 5.4263 5.4263 5.8760 5.8760 5.8824 5.8824 7.9442 7.9442 8.0957 8.0957 8.3238 8.3238 8.3272 8.3272 8.7954 8.7954 8.8053 8.8053 9.6632 9.6632 9.6750 9.6750 12.4179 12.4179 12.4652 12.4652 14.9232 14.9232 14.9727 14.9727 15.6305 15.6305 15.6696 15.6696 17.1590 17.1590 k = 0.0000 0.5000 0.8306 ( 2668 PWs) bands (ev): -48.6988 -48.6988 -48.6988 -48.6988 -24.8371 -24.8371 -24.8063 -24.8063 -22.5876 -22.5876 -22.5316 -22.5316 -21.9949 -21.9949 -21.9845 -21.9845 -6.6246 -6.6246 -6.6244 -6.6244 -5.2667 -5.2667 -5.1915 -5.1915 5.4150 5.4150 5.4159 5.4159 5.8795 5.8795 5.8858 5.8858 7.9464 7.9464 8.0971 8.0971 8.3303 8.3303 8.3340 8.3340 8.7912 8.7912 8.8027 8.8027 9.6688 9.6688 9.6809 9.6809 12.4064 12.4064 12.4538 12.4538 14.9241 14.9241 14.9740 14.9740 15.6385 15.6385 15.6791 15.6791 17.1665 17.1665 k = 0.0000 0.5000 0.8460 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8379 -24.8379 -24.8071 -24.8071 -22.5886 -22.5886 -22.5326 -22.5326 -21.9945 -21.9945 -21.9840 -21.9840 -6.6267 -6.6267 -6.6266 -6.6266 -5.2635 -5.2635 -5.1882 -5.1882 5.4088 5.4088 5.4096 5.4096 5.8816 5.8816 5.8879 5.8879 7.9475 7.9475 8.0978 8.0978 8.3344 8.3344 8.3382 8.3382 8.7886 8.7886 8.8012 8.8012 9.6723 9.6723 9.6845 9.6845 12.3994 12.3994 12.4468 12.4468 14.9247 14.9247 14.9747 14.9747 15.6432 15.6432 15.6849 15.6849 17.1711 17.1711 k = 0.0000 0.5000 0.8614 ( 2664 PWs) bands (ev): -48.6985 -48.6985 -48.6985 -48.6985 -24.8382 -24.8382 -24.8074 -24.8074 -22.5889 -22.5889 -22.5329 -22.5329 -21.9943 -21.9943 -21.9839 -21.9839 -6.6274 -6.6274 -6.6273 -6.6273 -5.2624 -5.2624 -5.1871 -5.1871 5.4068 5.4068 5.4075 5.4075 5.8823 5.8823 5.8886 5.8886 7.9479 7.9479 8.0980 8.0980 8.3358 8.3358 8.3396 8.3396 8.7877 8.7877 8.8006 8.8006 9.6735 9.6735 9.6857 9.6857 12.3971 12.3971 12.4445 12.4445 14.9249 14.9249 14.9750 14.9750 15.6448 15.6448 15.6868 15.6868 17.1726 17.1726 k = 0.5000 0.5000-0.0000 ( 2676 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5638 -24.5638 -24.5638 -24.5638 -22.1887 -22.1887 -22.1887 -22.1887 -21.9745 -21.9745 -21.9745 -21.9745 -6.7971 -6.7971 -6.7971 -6.7971 -5.4377 -5.4377 -5.4377 -5.4377 4.6989 4.6989 4.6989 4.6989 6.7859 6.7859 6.7859 6.7859 8.0368 8.0368 8.0368 8.0368 8.0538 8.0538 8.0538 8.0538 9.4578 9.4578 9.4578 9.4578 9.8994 9.8994 9.8994 9.8994 11.9610 11.9610 11.9610 11.9610 13.8230 13.8230 13.8230 13.8230 15.4474 15.4474 15.4474 15.4474 17.5828 17.5828 k = 0.5000 0.5000 0.0154 ( 2676 PWs) bands (ev): -48.7928 -48.7928 -48.7928 -48.7928 -24.5639 -24.5639 -24.5639 -24.5639 -22.1887 -22.1887 -22.1887 -22.1887 -21.9750 -21.9750 -21.9750 -21.9750 -6.7961 -6.7961 -6.7961 -6.7961 -5.4385 -5.4385 -5.4385 -5.4385 4.7006 4.7006 4.7006 4.7006 6.7820 6.7820 6.7820 6.7820 8.0376 8.0376 8.0376 8.0376 8.0585 8.0585 8.0585 8.0585 9.4568 9.4568 9.4568 9.4568 9.8944 9.8944 9.8944 9.8944 11.9648 11.9648 11.9648 11.9648 13.8227 13.8227 13.8227 13.8227 15.4461 15.4461 15.4461 15.4461 17.5842 17.5842 k = 0.5000 0.5000 0.0308 ( 2684 PWs) bands (ev): -48.7926 -48.7926 -48.7926 -48.7926 -24.5644 -24.5644 -24.5644 -24.5644 -22.1884 -22.1884 -22.1884 -22.1884 -21.9766 -21.9766 -21.9766 -21.9766 -6.7930 -6.7930 -6.7930 -6.7930 -5.4408 -5.4408 -5.4408 -5.4408 4.7058 4.7058 4.7058 4.7058 6.7703 6.7703 6.7703 6.7703 8.0400 8.0400 8.0400 8.0400 8.0725 8.0725 8.0725 8.0725 9.4535 9.4535 9.4535 9.4535 9.8794 9.8794 9.8794 9.8794 11.9760 11.9760 11.9760 11.9760 13.8217 13.8217 13.8217 13.8217 15.4423 15.4423 15.4423 15.4423 17.5886 17.5886 k = 0.5000 0.5000 0.0461 ( 2684 PWs) bands (ev): -48.7923 -48.7923 -48.7923 -48.7923 -24.5650 -24.5650 -24.5650 -24.5650 -22.1881 -22.1881 -22.1881 -22.1881 -21.9792 -21.9792 -21.9792 -21.9792 -6.7879 -6.7879 -6.7879 -6.7879 -5.4446 -5.4446 -5.4446 -5.4446 4.7145 4.7145 4.7145 4.7145 6.7516 6.7516 6.7516 6.7516 8.0439 8.0439 8.0439 8.0439 8.0951 8.0951 8.0951 8.0951 9.4482 9.4482 9.4482 9.4482 9.8548 9.8548 9.8548 9.8548 11.9944 11.9944 11.9944 11.9944 13.8199 13.8199 13.8199 13.8199 15.4360 15.4360 15.4360 15.4360 17.5959 17.5959 k = 0.5000 0.5000 0.0615 ( 2688 PWs) bands (ev): -48.7918 -48.7918 -48.7918 -48.7918 -24.5659 -24.5659 -24.5659 -24.5659 -22.1876 -22.1876 -22.1876 -22.1876 -21.9828 -21.9828 -21.9828 -21.9828 -6.7807 -6.7807 -6.7807 -6.7807 -5.4500 -5.4500 -5.4500 -5.4500 4.7267 4.7267 4.7267 4.7267 6.7267 6.7267 6.7267 6.7267 8.0495 8.0495 8.0495 8.0495 8.1253 8.1253 8.1253 8.1253 9.4407 9.4407 9.4407 9.4407 9.8212 9.8212 9.8212 9.8212 12.0195 12.0195 12.0195 12.0195 13.8176 13.8176 13.8176 13.8176 15.4272 15.4272 15.4272 15.4272 17.6059 17.6059 k = 0.5000 0.5000 0.0769 ( 2688 PWs) bands (ev): -48.7912 -48.7912 -48.7912 -48.7912 -24.5671 -24.5671 -24.5671 -24.5671 -22.1869 -22.1869 -22.1869 -22.1869 -21.9873 -21.9873 -21.9873 -21.9873 -6.7716 -6.7716 -6.7716 -6.7716 -5.4569 -5.4569 -5.4569 -5.4569 4.7422 4.7422 4.7422 4.7422 6.6965 6.6965 6.6965 6.6965 8.0566 8.0566 8.0566 8.0566 8.1621 8.1621 8.1621 8.1621 9.4311 9.4311 9.4311 9.4311 9.7792 9.7792 9.7792 9.7792 12.0508 12.0508 12.0508 12.0508 13.8148 13.8148 13.8148 13.8148 15.4158 15.4158 15.4158 15.4158 17.6186 17.6186 k = 0.5000 0.5000 0.0923 ( 2680 PWs) bands (ev): -48.7903 -48.7903 -48.7903 -48.7903 -24.5685 -24.5685 -24.5685 -24.5685 -22.1862 -22.1862 -22.1862 -22.1862 -21.9927 -21.9927 -21.9927 -21.9927 -6.7605 -6.7605 -6.7605 -6.7605 -5.4652 -5.4652 -5.4652 -5.4652 4.7611 4.7611 4.7611 4.7611 6.6622 6.6622 6.6622 6.6622 8.0652 8.0652 8.0652 8.0652 8.2043 8.2043 8.2043 8.2043 9.4195 9.4195 9.4195 9.4195 9.7296 9.7296 9.7296 9.7296 12.0877 12.0877 12.0877 12.0877 13.8114 13.8114 13.8114 13.8114 15.4020 15.4020 15.4020 15.4020 17.6338 17.6338 k = 0.5000 0.5000 0.1077 ( 2672 PWs) bands (ev): -48.7892 -48.7892 -48.7892 -48.7892 -24.5702 -24.5702 -24.5702 -24.5702 -22.1854 -22.1854 -22.1854 -22.1854 -21.9989 -21.9989 -21.9989 -21.9989 -6.7474 -6.7474 -6.7474 -6.7474 -5.4751 -5.4751 -5.4751 -5.4751 4.7834 4.7834 4.7834 4.7834 6.6247 6.6247 6.6247 6.6247 8.0754 8.0754 8.0754 8.0754 8.2507 8.2507 8.2507 8.2507 9.4058 9.4058 9.4058 9.4058 9.6732 9.6732 9.6732 9.6732 12.1296 12.1296 12.1296 12.1296 13.8077 13.8077 13.8077 13.8077 15.3858 15.3858 15.3858 15.3858 17.6514 17.6514 k = 0.5000 0.5000 0.1231 ( 2672 PWs) bands (ev): -48.7881 -48.7881 -48.7881 -48.7881 -24.5722 -24.5722 -24.5722 -24.5722 -22.1846 -22.1846 -22.1846 -22.1846 -22.0060 -22.0060 -22.0060 -22.0060 -6.7324 -6.7324 -6.7324 -6.7324 -5.4863 -5.4863 -5.4863 -5.4863 4.8089 4.8089 4.8089 4.8089 6.5849 6.5849 6.5849 6.5849 8.0872 8.0872 8.0872 8.0872 8.3002 8.3002 8.3002 8.3002 9.3901 9.3901 9.3901 9.3901 9.6110 9.6110 9.6110 9.6110 12.1758 12.1758 12.1758 12.1758 13.8038 13.8038 13.8038 13.8038 15.3671 15.3671 15.3671 15.3671 17.6712 17.6712 k = 0.5000 0.5000 0.1384 ( 2676 PWs) bands (ev): -48.7870 -48.7870 -48.7870 -48.7870 -24.5745 -24.5745 -24.5745 -24.5745 -22.1838 -22.1838 -22.1838 -22.1838 -22.0138 -22.0138 -22.0138 -22.0138 -6.7157 -6.7157 -6.7157 -6.7157 -5.4989 -5.4989 -5.4989 -5.4989 4.8376 4.8376 4.8376 4.8376 6.5436 6.5436 6.5436 6.5436 8.1005 8.1005 8.1005 8.1005 8.3518 8.3518 8.3518 8.3518 9.3722 9.3722 9.3722 9.3722 9.5441 9.5441 9.5441 9.5441 12.2260 12.2260 12.2260 12.2260 13.7996 13.7996 13.7996 13.7996 15.3460 15.3460 15.3460 15.3460 17.6930 17.6930 k = 0.5000 0.5000 0.1538 ( 2684 PWs) bands (ev): -48.7858 -48.7858 -48.7858 -48.7858 -24.5770 -24.5770 -24.5770 -24.5770 -22.1832 -22.1832 -22.1832 -22.1832 -22.0222 -22.0222 -22.0222 -22.0222 -6.6971 -6.6971 -6.6971 -6.6971 -5.5129 -5.5129 -5.5129 -5.5129 4.8694 4.8694 4.8694 4.8694 6.5015 6.5015 6.5015 6.5015 8.1152 8.1152 8.1152 8.1152 8.4044 8.4044 8.4044 8.4044 9.3510 9.3510 9.3510 9.3510 9.4743 9.4743 9.4743 9.4743 12.2796 12.2796 12.2796 12.2796 13.7955 13.7955 13.7955 13.7955 15.3226 15.3226 15.3226 15.3226 17.7165 17.7165 k = 0.5000 0.5000 0.1692 ( 2676 PWs) bands (ev): -48.7842 -48.7842 -48.7842 -48.7842 -24.5798 -24.5798 -24.5798 -24.5798 -22.1827 -22.1827 -22.1827 -22.1827 -22.0309 -22.0309 -22.0309 -22.0309 -6.6768 -6.6768 -6.6768 -6.6768 -5.5282 -5.5282 -5.5282 -5.5282 4.9043 4.9043 4.9043 4.9043 6.4591 6.4591 6.4591 6.4591 8.1315 8.1315 8.1315 8.1315 8.4570 8.4570 8.4570 8.4570 9.3228 9.3228 9.3228 9.3228 9.4067 9.4067 9.4067 9.4067 12.3363 12.3363 12.3363 12.3363 13.7915 13.7915 13.7915 13.7915 15.2968 15.2968 15.2968 15.2968 17.7416 17.7416 k = 0.5000 0.5000 0.1846 ( 2676 PWs) bands (ev): -48.7826 -48.7826 -48.7826 -48.7826 -24.5829 -24.5829 -24.5829 -24.5829 -22.1825 -22.1825 -22.1825 -22.1825 -22.0400 -22.0400 -22.0400 -22.0400 -6.6548 -6.6548 -6.6548 -6.6548 -5.5447 -5.5447 -5.5447 -5.5447 4.9421 4.9421 4.9421 4.9421 6.4169 6.4169 6.4169 6.4169 8.1492 8.1492 8.1492 8.1492 8.5085 8.5085 8.5085 8.5085 9.2751 9.2751 9.2751 9.2751 9.3548 9.3548 9.3548 9.3548 12.3957 12.3957 12.3957 12.3957 13.7876 13.7876 13.7876 13.7876 15.2688 15.2688 15.2688 15.2688 17.7679 17.7679 k = 0.5000 0.5000 0.2000 ( 2676 PWs) bands (ev): -48.7809 -48.7809 -48.7809 -48.7809 -24.5863 -24.5863 -24.5863 -24.5863 -22.1829 -22.1829 -22.1829 -22.1829 -22.0491 -22.0491 -22.0491 -22.0491 -6.6313 -6.6313 -6.6313 -6.6313 -5.5625 -5.5625 -5.5625 -5.5625 4.9827 4.9827 4.9827 4.9827 6.3752 6.3752 6.3752 6.3752 8.1684 8.1684 8.1684 8.1684 8.5578 8.5578 8.5578 8.5578 9.2036 9.2036 9.2036 9.2036 9.3240 9.3240 9.3240 9.3240 12.4575 12.4575 12.4575 12.4575 13.7841 13.7841 13.7841 13.7841 15.2386 15.2386 15.2386 15.2386 17.7952 17.7952 k = 0.5000 0.5000 0.2154 ( 2676 PWs) bands (ev): -48.7791 -48.7791 -48.7791 -48.7791 -24.5899 -24.5899 -24.5899 -24.5899 -22.1839 -22.1839 -22.1839 -22.1839 -22.0579 -22.0579 -22.0579 -22.0579 -6.6063 -6.6063 -6.6063 -6.6063 -5.5814 -5.5814 -5.5814 -5.5814 5.0261 5.0261 5.0261 5.0261 6.3346 6.3346 6.3346 6.3346 8.1890 8.1890 8.1890 8.1890 8.6035 8.6035 8.6035 8.6035 9.1210 9.1210 9.1210 9.1210 9.3031 9.3031 9.3031 9.3031 12.5216 12.5216 12.5216 12.5216 13.7810 13.7810 13.7810 13.7810 15.2063 15.2063 15.2063 15.2063 17.8233 17.8233 k = 0.5000 0.5000 0.2307 ( 2660 PWs) bands (ev): -48.7770 -48.7770 -48.7770 -48.7770 -24.5938 -24.5938 -24.5938 -24.5938 -22.1859 -22.1859 -22.1859 -22.1859 -22.0662 -22.0662 -22.0662 -22.0662 -6.5798 -6.5798 -6.5798 -6.5798 -5.6014 -5.6014 -5.6014 -5.6014 5.0721 5.0721 5.0721 5.0721 6.2951 6.2951 6.2951 6.2951 8.2110 8.2110 8.2110 8.2110 8.6439 8.6439 8.6439 8.6439 9.0335 9.0335 9.0335 9.0335 9.2876 9.2876 9.2876 9.2876 12.5878 12.5878 12.5878 12.5878 13.7784 13.7784 13.7784 13.7784 15.1719 15.1719 15.1719 15.1719 17.8519 17.8519 k = 0.5000 0.5000 0.2461 ( 2660 PWs) bands (ev): -48.7750 -48.7750 -48.7750 -48.7750 -24.5980 -24.5980 -24.5980 -24.5980 -22.1891 -22.1891 -22.1891 -22.1891 -22.0737 -22.0737 -22.0737 -22.0737 -6.5521 -6.5521 -6.5521 -6.5521 -5.6224 -5.6224 -5.6224 -5.6224 5.1205 5.1205 5.1205 5.1205 6.2570 6.2570 6.2570 6.2570 8.2343 8.2343 8.2343 8.2343 8.6773 8.6773 8.6773 8.6773 8.9432 8.9432 8.9432 8.9432 9.2775 9.2775 9.2775 9.2775 12.6559 12.6559 12.6559 12.6559 13.7764 13.7764 13.7764 13.7764 15.1354 15.1354 15.1354 15.1354 17.8808 17.8808 k = 0.5000 0.5000 0.2615 ( 2672 PWs) bands (ev): -48.7731 -48.7731 -48.7731 -48.7731 -24.6026 -24.6026 -24.6026 -24.6026 -22.1940 -22.1940 -22.1940 -22.1940 -22.0800 -22.0800 -22.0800 -22.0800 -6.5231 -6.5231 -6.5231 -6.5231 -5.6443 -5.6443 -5.6443 -5.6443 5.1713 5.1713 5.1713 5.1713 6.2205 6.2205 6.2205 6.2205 8.2589 8.2589 8.2589 8.2589 8.7017 8.7017 8.7017 8.7017 8.8509 8.8509 8.8509 8.8509 9.2738 9.2738 9.2738 9.2738 12.7259 12.7259 12.7259 12.7259 13.7751 13.7751 13.7751 13.7751 15.0970 15.0970 15.0970 15.0970 17.9096 17.9096 k = 0.5000 0.5000 0.2769 ( 2672 PWs) bands (ev): -48.7709 -48.7709 -48.7709 -48.7709 -24.6073 -24.6073 -24.6073 -24.6073 -22.2004 -22.2004 -22.2004 -22.2004 -22.0848 -22.0848 -22.0848 -22.0848 -6.4929 -6.4929 -6.4929 -6.4929 -5.6671 -5.6671 -5.6671 -5.6671 5.2242 5.2242 5.2242 5.2242 6.1858 6.1858 6.1858 6.1858 8.2848 8.2848 8.2848 8.2848 8.7156 8.7156 8.7156 8.7156 8.7572 8.7572 8.7572 8.7572 9.2778 9.2778 9.2778 9.2778 12.7976 12.7976 12.7976 12.7976 13.7745 13.7745 13.7745 13.7745 15.0568 15.0568 15.0568 15.0568 17.9382 17.9382 k = 0.5000 0.5000 0.2923 ( 2664 PWs) bands (ev): -48.7685 -48.7685 -48.7685 -48.7685 -24.6124 -24.6124 -24.6124 -24.6124 -22.2086 -22.2086 -22.2086 -22.2086 -22.0881 -22.0881 -22.0881 -22.0881 -6.4617 -6.4617 -6.4617 -6.4617 -5.6908 -5.6908 -5.6908 -5.6908 5.2792 5.2792 5.2792 5.2792 6.1530 6.1530 6.1530 6.1530 8.3119 8.3119 8.3119 8.3119 8.6623 8.6623 8.6623 8.6623 8.7187 8.7187 8.7187 8.7187 9.2899 9.2899 9.2899 9.2899 12.8711 12.8711 12.8711 12.8711 13.7747 13.7747 13.7747 13.7747 15.0147 15.0147 15.0147 15.0147 17.9664 17.9664 k = 0.5000 0.5000 0.3076 ( 2656 PWs) bands (ev): -48.7661 -48.7661 -48.7661 -48.7661 -24.6177 -24.6177 -24.6177 -24.6177 -22.2184 -22.2184 -22.2184 -22.2184 -22.0900 -22.0900 -22.0900 -22.0900 -6.4295 -6.4295 -6.4295 -6.4295 -5.7151 -5.7151 -5.7151 -5.7151 5.3360 5.3360 5.3360 5.3360 6.1223 6.1223 6.1223 6.1223 8.3401 8.3401 8.3401 8.3401 8.5671 8.5671 8.5671 8.5671 8.7106 8.7106 8.7106 8.7106 9.3096 9.3096 9.3096 9.3096 12.9462 12.9462 12.9462 12.9462 13.7757 13.7757 13.7757 13.7757 14.9710 14.9710 14.9710 14.9710 17.9939 17.9939 k = 0.5000 0.5000 0.3230 ( 2656 PWs) bands (ev): -48.7637 -48.7637 -48.7637 -48.7637 -24.6233 -24.6233 -24.6233 -24.6233 -22.2296 -22.2296 -22.2296 -22.2296 -22.0906 -22.0906 -22.0906 -22.0906 -6.3965 -6.3965 -6.3965 -6.3965 -5.7401 -5.7401 -5.7401 -5.7401 5.3945 5.3945 5.3945 5.3945 6.0936 6.0936 6.0936 6.0936 8.3688 8.3688 8.3688 8.3688 8.4722 8.4722 8.4722 8.4722 8.6927 8.6927 8.6927 8.6927 9.3357 9.3357 9.3357 9.3357 13.0229 13.0229 13.0229 13.0229 13.7775 13.7775 13.7775 13.7775 14.9256 14.9256 14.9256 14.9256 18.0206 18.0206 k = 0.5000 0.5000 0.3384 ( 2656 PWs) bands (ev): -48.7612 -48.7612 -48.7612 -48.7612 -24.6291 -24.6291 -24.6291 -24.6291 -22.2419 -22.2419 -22.2419 -22.2419 -22.0900 -22.0900 -22.0900 -22.0900 -6.3627 -6.3627 -6.3627 -6.3627 -5.7657 -5.7657 -5.7657 -5.7657 5.4544 5.4544 5.4544 5.4544 6.0671 6.0671 6.0671 6.0671 8.3696 8.3696 8.3696 8.3696 8.4062 8.4062 8.4062 8.4062 8.6667 8.6667 8.6667 8.6667 9.3666 9.3666 9.3666 9.3666 13.1012 13.1012 13.1012 13.1012 13.7803 13.7803 13.7803 13.7803 14.8788 14.8788 14.8788 14.8788 18.0462 18.0462 k = 0.5000 0.5000 0.3538 ( 2664 PWs) bands (ev): -48.7588 -48.7588 -48.7588 -48.7588 -24.6353 -24.6353 -24.6353 -24.6353 -22.2552 -22.2552 -22.2552 -22.2552 -22.0886 -22.0886 -22.0886 -22.0886 -6.3283 -6.3283 -6.3283 -6.3283 -5.7917 -5.7917 -5.7917 -5.7917 5.5156 5.5156 5.5156 5.5156 6.0429 6.0429 6.0429 6.0429 8.2781 8.2781 8.2781 8.2781 8.4338 8.4338 8.4338 8.4338 8.6341 8.6341 8.6341 8.6341 9.4005 9.4005 9.4005 9.4005 13.1810 13.1810 13.1810 13.1810 13.7839 13.7839 13.7839 13.7839 14.8306 14.8306 14.8306 14.8306 18.0706 18.0706 k = 0.5000 0.5000 0.3692 ( 2664 PWs) bands (ev): -48.7563 -48.7563 -48.7563 -48.7563 -24.6416 -24.6416 -24.6416 -24.6416 -22.2690 -22.2690 -22.2690 -22.2690 -22.0865 -22.0865 -22.0865 -22.0865 -6.2935 -6.2935 -6.2935 -6.2935 -5.8181 -5.8181 -5.8181 -5.8181 5.5778 5.5778 5.5778 5.5778 6.0210 6.0210 6.0210 6.0210 8.1833 8.1833 8.1833 8.1833 8.4659 8.4659 8.4659 8.4659 8.5964 8.5964 8.5964 8.5964 9.4363 9.4363 9.4363 9.4363 13.2622 13.2622 13.2622 13.2622 13.7884 13.7884 13.7884 13.7884 14.7811 14.7811 14.7811 14.7811 18.0936 18.0936 k = 0.5000 0.5000 0.3846 ( 2664 PWs) bands (ev): -48.7537 -48.7537 -48.7537 -48.7537 -24.6482 -24.6482 -24.6482 -24.6482 -22.2833 -22.2833 -22.2833 -22.2833 -22.0839 -22.0839 -22.0839 -22.0839 -6.2583 -6.2583 -6.2583 -6.2583 -5.8447 -5.8447 -5.8447 -5.8447 5.6408 5.6408 5.6408 5.6408 6.0015 6.0015 6.0015 6.0015 8.0890 8.0890 8.0890 8.0890 8.4988 8.4988 8.4988 8.4988 8.5549 8.5549 8.5549 8.5549 9.4729 9.4729 9.4729 9.4729 13.3446 13.3446 13.3446 13.3446 13.7940 13.7940 13.7940 13.7940 14.7305 14.7305 14.7305 14.7305 18.1152 18.1152 k = 0.5000 0.5000 0.3999 ( 2664 PWs) bands (ev): -48.7511 -48.7511 -48.7511 -48.7511 -24.6550 -24.6550 -24.6550 -24.6550 -22.2978 -22.2978 -22.2978 -22.2978 -22.0808 -22.0808 -22.0808 -22.0808 -6.2228 -6.2228 -6.2228 -6.2228 -5.8714 -5.8714 -5.8714 -5.8714 5.7041 5.7041 5.7041 5.7041 5.9846 5.9846 5.9846 5.9846 7.9956 7.9956 7.9956 7.9956 8.5063 8.5063 8.5063 8.5063 8.5364 8.5364 8.5364 8.5364 9.5094 9.5094 9.5094 9.5094 13.4279 13.4279 13.4279 13.4279 13.8009 13.8009 13.8009 13.8009 14.6788 14.6788 14.6788 14.6788 18.1351 18.1351 k = 0.5000 0.5000 0.4153 ( 2664 PWs) bands (ev): -48.7484 -48.7484 -48.7484 -48.7484 -24.6619 -24.6619 -24.6619 -24.6619 -22.3125 -22.3125 -22.3125 -22.3125 -22.0774 -22.0774 -22.0774 -22.0774 -6.1874 -6.1874 -6.1874 -6.1874 -5.8981 -5.8981 -5.8981 -5.8981 5.7673 5.7673 5.7673 5.7673 5.9705 5.9705 5.9705 5.9705 7.9034 7.9034 7.9034 7.9034 8.4597 8.4597 8.4597 8.4597 8.5702 8.5702 8.5702 8.5702 9.5452 9.5452 9.5452 9.5452 13.5117 13.5117 13.5117 13.5117 13.8094 13.8094 13.8094 13.8094 14.6263 14.6263 14.6263 14.6263 18.1533 18.1533 k = 0.5000 0.5000 0.4307 ( 2660 PWs) bands (ev): -48.7458 -48.7458 -48.7458 -48.7458 -24.6691 -24.6691 -24.6691 -24.6691 -22.3271 -22.3271 -22.3271 -22.3271 -22.0738 -22.0738 -22.0738 -22.0738 -6.1522 -6.1522 -6.1522 -6.1522 -5.9245 -5.9245 -5.9245 -5.9245 5.8292 5.8292 5.8292 5.8292 5.9601 5.9601 5.9601 5.9601 7.8125 7.8125 7.8125 7.8125 8.4097 8.4097 8.4097 8.4097 8.6060 8.6060 8.6060 8.6060 9.5801 9.5801 9.5801 9.5801 13.5947 13.5947 13.5947 13.5947 13.8207 13.8207 13.8207 13.8207 14.5731 14.5731 14.5731 14.5731 18.1698 18.1698 k = 0.5000 0.5000 0.4461 ( 2660 PWs) bands (ev): -48.7431 -48.7431 -48.7431 -48.7431 -24.6763 -24.6763 -24.6763 -24.6763 -22.3417 -22.3417 -22.3417 -22.3417 -22.0699 -22.0699 -22.0699 -22.0699 -6.1179 -6.1179 -6.1179 -6.1179 -5.9499 -5.9499 -5.9499 -5.9499 5.8851 5.8851 5.8851 5.8851 5.9580 5.9580 5.9580 5.9580 7.7233 7.7233 7.7233 7.7233 8.3578 8.3578 8.3578 8.3578 8.6426 8.6426 8.6426 8.6426 9.6136 9.6136 9.6136 9.6136 13.6737 13.6737 13.6737 13.6737 13.8378 13.8378 13.8378 13.8378 14.5193 14.5193 14.5193 14.5193 18.1844 18.1844 k = 0.5000 0.5000 0.4615 ( 2668 PWs) bands (ev): -48.7406 -48.7406 -48.7406 -48.7406 -24.6838 -24.6838 -24.6838 -24.6838 -22.3562 -22.3562 -22.3562 -22.3562 -22.0659 -22.0659 -22.0659 -22.0659 -6.0860 -6.0860 -6.0860 -6.0860 -5.9731 -5.9731 -5.9731 -5.9731 5.9149 5.9149 5.9149 5.9149 5.9838 5.9838 5.9838 5.9838 7.6360 7.6360 7.6360 7.6360 8.3045 8.3045 8.3045 8.3045 8.6798 8.6798 8.6798 8.6798 9.6455 9.6455 9.6455 9.6455 13.7401 13.7401 13.7401 13.7401 13.8691 13.8691 13.8691 13.8691 14.4652 14.4652 14.4652 14.4652 18.1971 18.1971 k = 0.5000 0.5000 0.4768 ( 2660 PWs) bands (ev): -48.7379 -48.7379 -48.7379 -48.7379 -24.6913 -24.6913 -24.6913 -24.6913 -22.3704 -22.3704 -22.3704 -22.3704 -22.0618 -22.0618 -22.0618 -22.0618 -6.0617 -6.0617 -6.0617 -6.0617 -5.9885 -5.9885 -5.9885 -5.9885 5.9183 5.9183 5.9183 5.9183 6.0375 6.0375 6.0375 6.0375 7.5509 7.5509 7.5509 7.5509 8.2501 8.2501 8.2501 8.2501 8.7174 8.7174 8.7174 8.7174 9.6758 9.6758 9.6758 9.6758 13.7824 13.7824 13.7824 13.7824 13.9258 13.9258 13.9258 13.9258 14.4111 14.4111 14.4111 14.4111 18.2078 18.2078 k = 0.5000 0.5000 0.4922 ( 2660 PWs) bands (ev): -48.7353 -48.7353 -48.7353 -48.7353 -24.6989 -24.6989 -24.6989 -24.6989 -22.3844 -22.3844 -22.3844 -22.3844 -22.0576 -22.0576 -22.0576 -22.0576 -6.0592 -6.0592 -6.0592 -6.0592 -5.9822 -5.9822 -5.9822 -5.9822 5.9169 5.9169 5.9169 5.9169 6.0971 6.0971 6.0971 6.0971 7.4683 7.4683 7.4683 7.4683 8.1950 8.1950 8.1950 8.1950 8.7555 8.7555 8.7555 8.7555 9.7042 9.7042 9.7042 9.7042 13.8053 13.8053 13.8053 13.8053 14.0026 14.0026 14.0026 14.0026 14.3576 14.3576 14.3576 14.3576 18.2165 18.2165 k = 0.5000 0.5000 0.5076 ( 2676 PWs) bands (ev): -48.7329 -48.7329 -48.7329 -48.7329 -24.7066 -24.7066 -24.7066 -24.7066 -22.3980 -22.3980 -22.3980 -22.3980 -22.0534 -22.0534 -22.0534 -22.0534 -6.0759 -6.0759 -6.0759 -6.0759 -5.9568 -5.9568 -5.9568 -5.9568 5.9161 5.9161 5.9161 5.9161 6.1570 6.1570 6.1570 6.1570 7.3885 7.3885 7.3885 7.3885 8.1392 8.1392 8.1392 8.1392 8.7938 8.7938 8.7938 8.7938 9.7307 9.7307 9.7307 9.7307 13.8201 13.8201 13.8201 13.8201 14.0868 14.0868 14.0868 14.0868 14.3061 14.3061 14.3061 14.3061 18.2232 18.2232 k = 0.5000 0.5000 0.5230 ( 2676 PWs) bands (ev): -48.7304 -48.7304 -48.7304 -48.7304 -24.7143 -24.7143 -24.7143 -24.7143 -22.4112 -22.4112 -22.4112 -22.4112 -22.0492 -22.0492 -22.0492 -22.0492 -6.0983 -6.0983 -6.0983 -6.0983 -5.9258 -5.9258 -5.9258 -5.9258 5.9166 5.9166 5.9166 5.9166 6.2156 6.2156 6.2156 6.2156 7.3119 7.3119 7.3119 7.3119 8.0832 8.0832 8.0832 8.0832 8.8322 8.8322 8.8322 8.8322 9.7554 9.7554 9.7554 9.7554 13.8316 13.8316 13.8316 13.8316 14.1637 14.1637 14.1637 14.1637 14.2662 14.2662 14.2662 14.2662 18.2280 18.2280 k = 0.5000 0.5000 0.5384 ( 2668 PWs) bands (ev): -48.7278 -48.7278 -48.7278 -48.7278 -24.7219 -24.7219 -24.7219 -24.7219 -22.4240 -22.4240 -22.4240 -22.4240 -22.0450 -22.0450 -22.0450 -22.0450 -6.1221 -6.1221 -6.1221 -6.1221 -5.8935 -5.8935 -5.8935 -5.8935 5.9188 5.9188 5.9188 5.9188 6.2722 6.2722 6.2722 6.2722 7.2389 7.2389 7.2389 7.2389 8.0271 8.0271 8.0271 8.0271 8.8706 8.8706 8.8706 8.8706 9.7783 9.7783 9.7783 9.7783 13.8416 13.8416 13.8416 13.8416 14.1712 14.1712 14.1712 14.1712 14.2985 14.2985 14.2985 14.2985 18.2307 18.2307 k = 0.5000 0.5000 0.5538 ( 2660 PWs) bands (ev): -48.7253 -48.7253 -48.7253 -48.7253 -24.7295 -24.7295 -24.7295 -24.7295 -22.4363 -22.4363 -22.4363 -22.4363 -22.0408 -22.0408 -22.0408 -22.0408 -6.1460 -6.1460 -6.1460 -6.1460 -5.8613 -5.8613 -5.8613 -5.8613 5.9228 5.9228 5.9228 5.9228 6.3259 6.3259 6.3259 6.3259 7.1703 7.1703 7.1703 7.1703 7.9711 7.9711 7.9711 7.9711 8.9089 8.9089 8.9089 8.9089 9.7992 9.7992 9.7992 9.7992 13.8505 13.8505 13.8505 13.8505 14.1272 14.1272 14.1272 14.1272 14.3844 14.3844 14.3844 14.3844 18.2314 18.2314 k = 0.5000 0.5000 0.5691 ( 2660 PWs) bands (ev): -48.7229 -48.7229 -48.7229 -48.7229 -24.7370 -24.7370 -24.7370 -24.7370 -22.4481 -22.4481 -22.4481 -22.4481 -22.0367 -22.0367 -22.0367 -22.0367 -6.1697 -6.1697 -6.1697 -6.1697 -5.8294 -5.8294 -5.8294 -5.8294 5.9285 5.9285 5.9285 5.9285 6.3757 6.3757 6.3757 6.3757 7.1068 7.1068 7.1068 7.1068 7.9154 7.9154 7.9154 7.9154 8.9470 8.9470 8.9470 8.9470 9.8184 9.8184 9.8184 9.8184 13.8584 13.8584 13.8584 13.8584 14.0779 14.0779 14.0779 14.0779 14.4776 14.4776 14.4776 14.4776 18.2302 18.2302 k = 0.5000 0.5000 0.5845 ( 2652 PWs) bands (ev): -48.7205 -48.7205 -48.7205 -48.7205 -24.7444 -24.7444 -24.7444 -24.7444 -22.4593 -22.4593 -22.4593 -22.4593 -22.0327 -22.0327 -22.0327 -22.0327 -6.1928 -6.1928 -6.1928 -6.1928 -5.7984 -5.7984 -5.7984 -5.7984 5.9358 5.9358 5.9358 5.9358 6.4202 6.4202 6.4202 6.4202 7.0497 7.0497 7.0497 7.0497 7.8601 7.8601 7.8601 7.8601 8.9846 8.9846 8.9846 8.9846 9.8358 9.8358 9.8358 9.8358 13.8647 13.8647 13.8647 13.8647 14.0291 14.0291 14.0291 14.0291 14.5725 14.5725 14.5725 14.5725 18.2272 18.2272 k = 0.5000 0.5000 0.5999 ( 2652 PWs) bands (ev): -48.7183 -48.7183 -48.7183 -48.7183 -24.7517 -24.7517 -24.7517 -24.7517 -22.4701 -22.4701 -22.4701 -22.4701 -22.0288 -22.0288 -22.0288 -22.0288 -6.2152 -6.2152 -6.2152 -6.2152 -5.7682 -5.7682 -5.7682 -5.7682 5.9446 5.9446 5.9446 5.9446 6.4578 6.4578 6.4578 6.4578 7.0008 7.0008 7.0008 7.0008 7.8056 7.8056 7.8056 7.8056 9.0217 9.0217 9.0217 9.0217 9.8516 9.8516 9.8516 9.8516 13.8679 13.8679 13.8679 13.8679 13.9837 13.9837 13.9837 13.9837 14.6678 14.6678 14.6678 14.6678 18.2223 18.2223 k = 0.5000 0.5000 0.6153 ( 2652 PWs) bands (ev): -48.7162 -48.7162 -48.7162 -48.7162 -24.7588 -24.7588 -24.7588 -24.7588 -22.4803 -22.4803 -22.4803 -22.4803 -22.0250 -22.0250 -22.0250 -22.0250 -6.2367 -6.2367 -6.2367 -6.2367 -5.7392 -5.7392 -5.7392 -5.7392 5.9549 5.9549 5.9549 5.9549 6.4860 6.4860 6.4860 6.4860 6.9622 6.9622 6.9622 6.9622 7.7519 7.7519 7.7519 7.7519 9.0581 9.0581 9.0581 9.0581 9.8658 9.8658 9.8658 9.8658 13.8629 13.8629 13.8629 13.8629 13.9473 13.9473 13.9473 13.9473 14.7628 14.7628 14.7628 14.7628 18.2157 18.2157 k = 0.5000 0.5000 0.6307 ( 2668 PWs) bands (ev): -48.7144 -48.7144 -48.7144 -48.7144 -24.7657 -24.7657 -24.7657 -24.7657 -22.4900 -22.4900 -22.4900 -22.4900 -22.0215 -22.0215 -22.0215 -22.0215 -6.2574 -6.2574 -6.2574 -6.2574 -5.7113 -5.7113 -5.7113 -5.7113 5.9665 5.9665 5.9665 5.9665 6.5023 6.5023 6.5023 6.5023 6.9364 6.9364 6.9364 6.9364 7.6994 7.6994 7.6994 7.6994 9.0936 9.0936 9.0936 9.0936 9.8785 9.8785 9.8785 9.8785 13.8411 13.8411 13.8411 13.8411 13.9288 13.9288 13.9288 13.9288 14.8568 14.8568 14.8568 14.8568 18.2075 18.2075 k = 0.5000 0.5000 0.6461 ( 2652 PWs) bands (ev): -48.7123 -48.7123 -48.7123 -48.7123 -24.7723 -24.7723 -24.7723 -24.7723 -22.4989 -22.4989 -22.4989 -22.4989 -22.0179 -22.0179 -22.0179 -22.0179 -6.2771 -6.2771 -6.2771 -6.2771 -5.6847 -5.6847 -5.6847 -5.6847 5.9793 5.9793 5.9793 5.9793 6.5053 6.5053 6.5053 6.5053 6.9248 6.9248 6.9248 6.9248 7.6481 7.6481 7.6481 7.6481 9.1280 9.1280 9.1280 9.1280 9.8898 9.8898 9.8898 9.8898 13.8054 13.8054 13.8054 13.8054 13.9256 13.9256 13.9256 13.9256 14.9494 14.9494 14.9494 14.9494 18.1978 18.1978 k = 0.5000 0.5000 0.6614 ( 2664 PWs) bands (ev): -48.7106 -48.7106 -48.7106 -48.7106 -24.7786 -24.7786 -24.7786 -24.7786 -22.5074 -22.5074 -22.5074 -22.5074 -22.0147 -22.0147 -22.0147 -22.0147 -6.2957 -6.2957 -6.2957 -6.2957 -5.6595 -5.6595 -5.6595 -5.6595 5.9931 5.9931 5.9931 5.9931 6.4959 6.4959 6.4959 6.4959 6.9265 6.9265 6.9265 6.9265 7.5984 7.5984 7.5984 7.5984 9.1612 9.1612 9.1612 9.1612 9.8998 9.8998 9.8998 9.8998 13.7650 13.7650 13.7650 13.7650 13.9286 13.9286 13.9286 13.9286 15.0401 15.0401 15.0401 15.0401 18.1867 18.1867 k = 0.5000 0.5000 0.6768 ( 2664 PWs) bands (ev): -48.7088 -48.7088 -48.7088 -48.7088 -24.7847 -24.7847 -24.7847 -24.7847 -22.5152 -22.5152 -22.5152 -22.5152 -22.0115 -22.0115 -22.0115 -22.0115 -6.3132 -6.3132 -6.3132 -6.3132 -5.6358 -5.6358 -5.6358 -5.6358 6.0076 6.0076 6.0076 6.0076 6.4768 6.4768 6.4768 6.4768 6.9386 6.9386 6.9386 6.9386 7.5505 7.5505 7.5505 7.5505 9.1929 9.1929 9.1929 9.1929 9.9085 9.9085 9.9085 9.9085 13.7245 13.7245 13.7245 13.7245 13.9336 13.9336 13.9336 13.9336 15.1282 15.1282 15.1282 15.1282 18.1745 18.1745 k = 0.5000 0.5000 0.6922 ( 2664 PWs) bands (ev): -48.7072 -48.7072 -48.7072 -48.7072 -24.7903 -24.7903 -24.7903 -24.7903 -22.5224 -22.5224 -22.5224 -22.5224 -22.0086 -22.0086 -22.0086 -22.0086 -6.3295 -6.3295 -6.3295 -6.3295 -5.6136 -5.6136 -5.6136 -5.6136 6.0227 6.0227 6.0227 6.0227 6.4520 6.4520 6.4520 6.4520 6.9571 6.9571 6.9571 6.9571 7.5046 7.5046 7.5046 7.5046 9.2231 9.2231 9.2231 9.2231 9.9162 9.9162 9.9162 9.9162 13.6852 13.6852 13.6852 13.6852 13.9392 13.9392 13.9392 13.9392 15.2131 15.2131 15.2131 15.2131 18.1614 18.1614 k = 0.5000 0.5000 0.7076 ( 2664 PWs) bands (ev): -48.7058 -48.7058 -48.7058 -48.7058 -24.7956 -24.7956 -24.7956 -24.7956 -22.5290 -22.5290 -22.5290 -22.5290 -22.0059 -22.0059 -22.0059 -22.0059 -6.3446 -6.3446 -6.3446 -6.3446 -5.5931 -5.5931 -5.5931 -5.5931 6.0382 6.0382 6.0382 6.0382 6.4243 6.4243 6.4243 6.4243 6.9791 6.9791 6.9791 6.9791 7.4611 7.4611 7.4611 7.4611 9.2514 9.2514 9.2514 9.2514 9.9228 9.9228 9.9228 9.9228 13.6480 13.6480 13.6480 13.6480 13.9449 13.9449 13.9449 13.9449 15.2943 15.2943 15.2943 15.2943 18.1476 18.1476 k = 0.5000 0.5000 0.7230 ( 2664 PWs) bands (ev): -48.7044 -48.7044 -48.7044 -48.7044 -24.8004 -24.8004 -24.8004 -24.8004 -22.5349 -22.5349 -22.5349 -22.5349 -22.0035 -22.0035 -22.0035 -22.0035 -6.3584 -6.3584 -6.3584 -6.3584 -5.5744 -5.5744 -5.5744 -5.5744 6.0537 6.0537 6.0537 6.0537 6.3961 6.3961 6.3961 6.3961 7.0021 7.0021 7.0021 7.0021 7.4202 7.4202 7.4202 7.4202 9.2777 9.2777 9.2777 9.2777 9.9285 9.9285 9.9285 9.9285 13.6133 13.6133 13.6133 13.6133 13.9504 13.9504 13.9504 13.9504 15.3710 15.3710 15.3710 15.3710 18.1333 18.1333 k = 0.5000 0.5000 0.7383 ( 2664 PWs) bands (ev): -48.7032 -48.7032 -48.7032 -48.7032 -24.8049 -24.8049 -24.8049 -24.8049 -22.5402 -22.5402 -22.5402 -22.5402 -22.0012 -22.0012 -22.0012 -22.0012 -6.3708 -6.3708 -6.3708 -6.3708 -5.5574 -5.5574 -5.5574 -5.5574 6.0690 6.0690 6.0690 6.0690 6.3689 6.3689 6.3689 6.3689 7.0247 7.0247 7.0247 7.0247 7.3823 7.3823 7.3823 7.3823 9.3019 9.3019 9.3019 9.3019 9.9334 9.9334 9.9334 9.9334 13.5815 13.5815 13.5815 13.5815 13.9556 13.9556 13.9556 13.9556 15.4425 15.4425 15.4425 15.4425 18.1190 18.1190 k = 0.5000 0.5000 0.7537 ( 2672 PWs) bands (ev): -48.7022 -48.7022 -48.7022 -48.7022 -24.8089 -24.8089 -24.8089 -24.8089 -22.5450 -22.5450 -22.5450 -22.5450 -21.9993 -21.9993 -21.9993 -21.9993 -6.3819 -6.3819 -6.3819 -6.3819 -5.5422 -5.5422 -5.5422 -5.5422 6.0837 6.0837 6.0837 6.0837 6.3436 6.3436 6.3436 6.3436 7.0458 7.0458 7.0458 7.0458 7.3479 7.3479 7.3479 7.3479 9.3237 9.3237 9.3237 9.3237 9.9374 9.9374 9.9374 9.9374 13.5528 13.5528 13.5528 13.5528 13.9603 13.9603 13.9603 13.9603 15.5080 15.5080 15.5080 15.5080 18.1050 18.1050 k = 0.5000 0.5000 0.7691 ( 2680 PWs) bands (ev): -48.7013 -48.7013 -48.7013 -48.7013 -24.8124 -24.8124 -24.8124 -24.8124 -22.5491 -22.5491 -22.5491 -22.5491 -21.9975 -21.9975 -21.9975 -21.9975 -6.3916 -6.3916 -6.3916 -6.3916 -5.5290 -5.5290 -5.5290 -5.5290 6.0975 6.0975 6.0975 6.0975 6.3208 6.3208 6.3208 6.3208 7.0646 7.0646 7.0646 7.0646 7.3172 7.3172 7.3172 7.3172 9.3429 9.3429 9.3429 9.3429 9.9408 9.9408 9.9408 9.9408 13.5274 13.5274 13.5274 13.5274 13.9646 13.9646 13.9646 13.9646 15.5669 15.5669 15.5669 15.5669 18.0917 18.0917 k = 0.5000 0.5000 0.7845 ( 2680 PWs) bands (ev): -48.7005 -48.7005 -48.7005 -48.7005 -24.8154 -24.8154 -24.8154 -24.8154 -22.5525 -22.5525 -22.5525 -22.5525 -21.9960 -21.9960 -21.9960 -21.9960 -6.3998 -6.3998 -6.3998 -6.3998 -5.5177 -5.5177 -5.5177 -5.5177 6.1100 6.1100 6.1100 6.1100 6.3011 6.3011 6.3011 6.3011 7.0807 7.0807 7.0807 7.0807 7.2908 7.2908 7.2908 7.2908 9.3595 9.3595 9.3595 9.3595 9.9436 9.9436 9.9436 9.9436 13.5056 13.5056 13.5056 13.5056 13.9683 13.9683 13.9683 13.9683 15.6183 15.6183 15.6183 15.6183 18.0795 18.0795 k = 0.5000 0.5000 0.7999 ( 2680 PWs) bands (ev): -48.6999 -48.6999 -48.6999 -48.6999 -24.8178 -24.8178 -24.8178 -24.8178 -22.5553 -22.5553 -22.5553 -22.5553 -21.9948 -21.9948 -21.9948 -21.9948 -6.4066 -6.4066 -6.4066 -6.4066 -5.5085 -5.5085 -5.5085 -5.5085 6.1208 6.1208 6.1208 6.1208 6.2847 6.2847 6.2847 6.2847 7.0937 7.0937 7.0937 7.0937 7.2691 7.2691 7.2691 7.2691 9.3733 9.3733 9.3733 9.3733 9.9457 9.9457 9.9457 9.9457 13.4876 13.4876 13.4876 13.4876 13.9713 13.9713 13.9713 13.9713 15.6615 15.6615 15.6615 15.6615 18.0688 18.0688 k = 0.5000 0.5000 0.8153 ( 2680 PWs) bands (ev): -48.6993 -48.6993 -48.6993 -48.6993 -24.8198 -24.8198 -24.8198 -24.8198 -22.5575 -22.5575 -22.5575 -22.5575 -21.9938 -21.9938 -21.9938 -21.9938 -6.4119 -6.4119 -6.4119 -6.4119 -5.5012 -5.5012 -5.5012 -5.5012 6.1296 6.1296 6.1296 6.1296 6.2718 6.2718 6.2718 6.2718 7.1035 7.1035 7.1035 7.1035 7.2523 7.2523 7.2523 7.2523 9.3842 9.3842 9.3842 9.3842 9.9474 9.9474 9.9474 9.9474 13.4733 13.4733 13.4733 13.4733 13.9737 13.9737 13.9737 13.9737 15.6959 15.6959 15.6959 15.6959 18.0599 18.0599 k = 0.5000 0.5000 0.8306 ( 2680 PWs) bands (ev): -48.6990 -48.6990 -48.6990 -48.6990 -24.8212 -24.8212 -24.8212 -24.8212 -22.5591 -22.5591 -22.5591 -22.5591 -21.9931 -21.9931 -21.9931 -21.9931 -6.4157 -6.4157 -6.4157 -6.4157 -5.4960 -5.4960 -5.4960 -5.4960 6.1360 6.1360 6.1360 6.1360 6.2626 6.2626 6.2626 6.2626 7.1100 7.1100 7.1100 7.1100 7.2406 7.2406 7.2406 7.2406 9.3920 9.3920 9.3920 9.3920 9.9485 9.9485 9.9485 9.9485 13.4631 13.4631 13.4631 13.4631 13.9755 13.9755 13.9755 13.9755 15.7209 15.7209 15.7209 15.7209 18.0534 18.0534 k = 0.5000 0.5000 0.8460 ( 2680 PWs) bands (ev): -48.6988 -48.6988 -48.6988 -48.6988 -24.8220 -24.8220 -24.8220 -24.8220 -22.5600 -22.5600 -22.5600 -22.5600 -21.9927 -21.9927 -21.9927 -21.9927 -6.4180 -6.4180 -6.4180 -6.4180 -5.4929 -5.4929 -5.4929 -5.4929 6.1400 6.1400 6.1400 6.1400 6.2570 6.2570 6.2570 6.2570 7.1137 7.1137 7.1137 7.1137 7.2338 7.2338 7.2338 7.2338 9.3967 9.3967 9.3967 9.3967 9.9492 9.9492 9.9492 9.9492 13.4569 13.4569 13.4569 13.4569 13.9765 13.9765 13.9765 13.9765 15.7360 15.7360 15.7360 15.7360 18.0493 18.0493 k = 0.5000 0.5000 0.8614 ( 2680 PWs) bands (ev): -48.6987 -48.6987 -48.6987 -48.6987 -24.8223 -24.8223 -24.8223 -24.8223 -22.5604 -22.5604 -22.5604 -22.5604 -21.9926 -21.9926 -21.9926 -21.9926 -6.4187 -6.4187 -6.4187 -6.4187 -5.4918 -5.4918 -5.4918 -5.4918 6.1414 6.1414 6.1414 6.1414 6.2552 6.2552 6.2552 6.2552 7.1148 7.1148 7.1148 7.1148 7.2315 7.2315 7.2315 7.2315 9.3983 9.3983 9.3983 9.3983 9.9494 9.9494 9.9494 9.9494 13.4549 13.4549 13.4549 13.4549 13.9769 13.9769 13.9769 13.9769 15.7411 15.7411 15.7411 15.7411 18.0479 18.0479 Writing output data file MoO2.save init_run : 0.17s CPU 0.37s WALL ( 1 calls) electrons : 177.49s CPU 180.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 177.48s CPU 180.55s 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 : 0.04s CPU 0.04s WALL ( 401 calls) cegterg : 165.59s CPU 168.08s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 77.71s CPU 79.43s WALL ( 7244 calls) s_psi : 4.40s CPU 4.50s WALL ( 7244 calls) g_psi : 0.17s CPU 0.22s WALL ( 6438 calls) cdiaghg : 76.48s CPU 77.55s WALL ( 6839 calls) cegterg:over : 6.78s CPU 6.79s WALL ( 6438 calls) cegterg:upda : 4.95s CPU 4.90s WALL ( 6438 calls) cegterg:last : 2.57s CPU 2.66s WALL ( 1214 calls) cdiaghg:chol : 4.34s CPU 4.37s WALL ( 6839 calls) cdiaghg:inve : 3.04s CPU 3.26s WALL ( 6839 calls) cdiaghg:para : 5.55s CPU 5.45s WALL ( 13678 calls) Called by h_psi: h_psi:vloc : 66.92s CPU 68.42s WALL ( 7244 calls) h_psi:vnl : 10.63s CPU 10.80s WALL ( 7244 calls) add_vuspsi : 5.50s CPU 5.45s WALL ( 7244 calls) General routines calbec : 5.10s CPU 5.32s WALL ( 7244 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.46s CPU 64.79s WALL ( 1059596 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 802 calls) Parallel routines fft_scatter : 26.66s CPU 27.27s WALL ( 1059619 calls) PWSCF : 3m15.31s CPU 3m31.33s WALL This run was terminated on: 20:56:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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