Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:29 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: ./HfGeTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 31 22 6 1745 1059 168 Max 32 23 7 1752 1079 179 Sum 1125 821 241 62943 38491 6271 bravais-lattice index = 14 lattice parameter (alat) = 7.3132 a.u. unit-cell volume = 859.0874 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.313240 celldm(2)= 1.000000 celldm(3)= 2.196382 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 2.196382 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.455294 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Ge 4.00 72.64000 Ge( 1.00) Hf 12.00 178.49000 Hf( 1.00) Te 6.00 127.60000 Te( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0028902 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0028902 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0028902 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028902 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0028902 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0028902 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0028902 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0028902 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0028902 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0028902 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028902 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0028902 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028902 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0028902 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028902 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0028902 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0028902 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028902 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0028902 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0028902 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028902 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0028902 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0028902 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0028902 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0028902 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0028902 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0028902 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0028902 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0028902 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0028902 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028902 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0028902 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028902 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0028902 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028902 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0028902 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0028902 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0028902 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0028902 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0028902 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0028902 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028902 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0028902 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0028902 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0028902 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0028902 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0028902 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0028902 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0028902 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0028902 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0028902 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0028902 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0028902 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0028902 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0028902 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0028902 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0028902 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0028902 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028902 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0028902 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0028902 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0028902 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0028902 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0028902 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0028902 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0028902 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0028902 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028902 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0028902 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028902 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028902 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028902 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0028902 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0028902 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0028902 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0028902 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0028902 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0028902 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0028902 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0028902 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0028902 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028902 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028902 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028902 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028902 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0028902 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028902 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028902 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0028902 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0028902 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0028902 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028902 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028902 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028902 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028902 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028902 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028902 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0028902 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0028902 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0028902 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028902 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0028902 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0028902 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0028902 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0028902 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0028902 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028902 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0028902 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0028902 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0028902 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028902 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028902 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0028902 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0028902 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0028902 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0028902 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028902 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0028902 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028902 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0028902 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0028902 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0028902 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0028902 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0028902 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0028902 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0028902 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0028902 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0028902 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.0119814), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0239628), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0359443), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0479257), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.0599071), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.0718885), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.0838700), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.0958514), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.1078328), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.1198142), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.1317957), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.1437771), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.1557585), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.1677399), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.1797214), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.1917028), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.2036842), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.2156656), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.2276471), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.2276471), wk = 0.0028902 k( 165) = ( 0.0000000 0.0121951 0.2276471), wk = 0.0028902 k( 166) = ( 0.0000000 0.0243902 0.2276471), wk = 0.0028902 k( 167) = ( 0.0000000 0.0365854 0.2276471), wk = 0.0028902 k( 168) = ( 0.0000000 0.0487805 0.2276471), wk = 0.0028902 k( 169) = ( 0.0000000 0.0609756 0.2276471), wk = 0.0028902 k( 170) = ( 0.0000000 0.0731707 0.2276471), wk = 0.0028902 k( 171) = ( 0.0000000 0.0853658 0.2276471), wk = 0.0028902 k( 172) = ( 0.0000000 0.0975610 0.2276471), wk = 0.0028902 k( 173) = ( 0.0000000 0.1097561 0.2276471), wk = 0.0028902 k( 174) = ( 0.0000000 0.1219512 0.2276471), wk = 0.0028902 k( 175) = ( 0.0000000 0.1341463 0.2276471), wk = 0.0028902 k( 176) = ( 0.0000000 0.1463415 0.2276471), wk = 0.0028902 k( 177) = ( 0.0000000 0.1585366 0.2276471), wk = 0.0028902 k( 178) = ( 0.0000000 0.1707317 0.2276471), wk = 0.0028902 k( 179) = ( 0.0000000 0.1829268 0.2276471), wk = 0.0028902 k( 180) = ( 0.0000000 0.1951219 0.2276471), wk = 0.0028902 k( 181) = ( 0.0000000 0.2073171 0.2276471), wk = 0.0028902 k( 182) = ( 0.0000000 0.2195122 0.2276471), wk = 0.0028902 k( 183) = ( 0.0000000 0.2317073 0.2276471), wk = 0.0028902 k( 184) = ( 0.0000000 0.2439024 0.2276471), wk = 0.0028902 k( 185) = ( 0.0000000 0.2560976 0.2276471), wk = 0.0028902 k( 186) = ( 0.0000000 0.2682927 0.2276471), wk = 0.0028902 k( 187) = ( 0.0000000 0.2804878 0.2276471), wk = 0.0028902 k( 188) = ( 0.0000000 0.2926829 0.2276471), wk = 0.0028902 k( 189) = ( 0.0000000 0.3048781 0.2276471), wk = 0.0028902 k( 190) = ( 0.0000000 0.3170732 0.2276471), wk = 0.0028902 k( 191) = ( 0.0000000 0.3292683 0.2276471), wk = 0.0028902 k( 192) = ( 0.0000000 0.3414634 0.2276471), wk = 0.0028902 k( 193) = ( 0.0000000 0.3536585 0.2276471), wk = 0.0028902 k( 194) = ( 0.0000000 0.3658537 0.2276471), wk = 0.0028902 k( 195) = ( 0.0000000 0.3780488 0.2276471), wk = 0.0028902 k( 196) = ( 0.0000000 0.3902439 0.2276471), wk = 0.0028902 k( 197) = ( 0.0000000 0.4024390 0.2276471), wk = 0.0028902 k( 198) = ( 0.0000000 0.4146341 0.2276471), wk = 0.0028902 k( 199) = ( 0.0000000 0.4268293 0.2276471), wk = 0.0028902 k( 200) = ( 0.0000000 0.4390244 0.2276471), wk = 0.0028902 k( 201) = ( 0.0000000 0.4512195 0.2276471), wk = 0.0028902 k( 202) = ( 0.0000000 0.4634146 0.2276471), wk = 0.0028902 k( 203) = ( 0.0000000 0.4756098 0.2276471), wk = 0.0028902 k( 204) = ( 0.0000000 0.4878049 0.2276471), wk = 0.0028902 k( 205) = ( 0.0000000 0.5000000 0.2276471), wk = 0.0028902 k( 206) = ( 0.0000000 0.5000000 0.2276471), wk = 0.0028902 k( 207) = ( 0.0121951 0.5000000 0.2276471), wk = 0.0028902 k( 208) = ( 0.0243902 0.5000000 0.2276471), wk = 0.0028902 k( 209) = ( 0.0365854 0.5000000 0.2276471), wk = 0.0028902 k( 210) = ( 0.0487805 0.5000000 0.2276471), wk = 0.0028902 k( 211) = ( 0.0609756 0.5000000 0.2276471), wk = 0.0028902 k( 212) = ( 0.0731707 0.5000000 0.2276471), wk = 0.0028902 k( 213) = ( 0.0853658 0.5000000 0.2276471), wk = 0.0028902 k( 214) = ( 0.0975610 0.5000000 0.2276471), wk = 0.0028902 k( 215) = ( 0.1097561 0.5000000 0.2276471), wk = 0.0028902 k( 216) = ( 0.1219512 0.5000000 0.2276471), wk = 0.0028902 k( 217) = ( 0.1341463 0.5000000 0.2276471), wk = 0.0028902 k( 218) = ( 0.1463415 0.5000000 0.2276471), wk = 0.0028902 k( 219) = ( 0.1585366 0.5000000 0.2276471), wk = 0.0028902 k( 220) = ( 0.1707317 0.5000000 0.2276471), wk = 0.0028902 k( 221) = ( 0.1829268 0.5000000 0.2276471), wk = 0.0028902 k( 222) = ( 0.1951219 0.5000000 0.2276471), wk = 0.0028902 k( 223) = ( 0.2073171 0.5000000 0.2276471), wk = 0.0028902 k( 224) = ( 0.2195122 0.5000000 0.2276471), wk = 0.0028902 k( 225) = ( 0.2317073 0.5000000 0.2276471), wk = 0.0028902 k( 226) = ( 0.2439024 0.5000000 0.2276471), wk = 0.0028902 k( 227) = ( 0.2560976 0.5000000 0.2276471), wk = 0.0028902 k( 228) = ( 0.2682927 0.5000000 0.2276471), wk = 0.0028902 k( 229) = ( 0.2804878 0.5000000 0.2276471), wk = 0.0028902 k( 230) = ( 0.2926829 0.5000000 0.2276471), wk = 0.0028902 k( 231) = ( 0.3048781 0.5000000 0.2276471), wk = 0.0028902 k( 232) = ( 0.3170732 0.5000000 0.2276471), wk = 0.0028902 k( 233) = ( 0.3292683 0.5000000 0.2276471), wk = 0.0028902 k( 234) = ( 0.3414634 0.5000000 0.2276471), wk = 0.0028902 k( 235) = ( 0.3536585 0.5000000 0.2276471), wk = 0.0028902 k( 236) = ( 0.3658537 0.5000000 0.2276471), wk = 0.0028902 k( 237) = ( 0.3780488 0.5000000 0.2276471), wk = 0.0028902 k( 238) = ( 0.3902439 0.5000000 0.2276471), wk = 0.0028902 k( 239) = ( 0.4024390 0.5000000 0.2276471), wk = 0.0028902 k( 240) = ( 0.4146341 0.5000000 0.2276471), wk = 0.0028902 k( 241) = ( 0.4268293 0.5000000 0.2276471), wk = 0.0028902 k( 242) = ( 0.4390244 0.5000000 0.2276471), wk = 0.0028902 k( 243) = ( 0.4512195 0.5000000 0.2276471), wk = 0.0028902 k( 244) = ( 0.4634146 0.5000000 0.2276471), wk = 0.0028902 k( 245) = ( 0.4756098 0.5000000 0.2276471), wk = 0.0028902 k( 246) = ( 0.4878049 0.5000000 0.2276471), wk = 0.0028902 k( 247) = ( 0.5000000 0.5000000 0.2276471), wk = 0.0028902 k( 248) = ( 0.5000000 0.5000000 0.2276471), wk = 0.0028902 k( 249) = ( 0.4913793 0.4913793 0.2276471), wk = 0.0028902 k( 250) = ( 0.4827586 0.4827586 0.2276471), wk = 0.0028902 k( 251) = ( 0.4741379 0.4741379 0.2276471), wk = 0.0028902 k( 252) = ( 0.4655172 0.4655172 0.2276471), wk = 0.0028902 k( 253) = ( 0.4568966 0.4568965 0.2276471), wk = 0.0028902 k( 254) = ( 0.4482759 0.4482759 0.2276471), wk = 0.0028902 k( 255) = ( 0.4396552 0.4396552 0.2276471), wk = 0.0028902 k( 256) = ( 0.4310345 0.4310345 0.2276471), wk = 0.0028902 k( 257) = ( 0.4224138 0.4224138 0.2276471), wk = 0.0028902 k( 258) = ( 0.4137931 0.4137931 0.2276471), wk = 0.0028902 k( 259) = ( 0.4051724 0.4051724 0.2276471), wk = 0.0028902 k( 260) = ( 0.3965517 0.3965517 0.2276471), wk = 0.0028902 k( 261) = ( 0.3879310 0.3879310 0.2276471), wk = 0.0028902 k( 262) = ( 0.3793103 0.3793103 0.2276471), wk = 0.0028902 k( 263) = ( 0.3706897 0.3706897 0.2276471), wk = 0.0028902 k( 264) = ( 0.3620690 0.3620690 0.2276471), wk = 0.0028902 k( 265) = ( 0.3534483 0.3534483 0.2276471), wk = 0.0028902 k( 266) = ( 0.3448276 0.3448276 0.2276471), wk = 0.0028902 k( 267) = ( 0.3362069 0.3362069 0.2276471), wk = 0.0028902 k( 268) = ( 0.3275862 0.3275862 0.2276471), wk = 0.0028902 k( 269) = ( 0.3189655 0.3189655 0.2276471), wk = 0.0028902 k( 270) = ( 0.3103448 0.3103448 0.2276471), wk = 0.0028902 k( 271) = ( 0.3017241 0.3017241 0.2276471), wk = 0.0028902 k( 272) = ( 0.2931034 0.2931034 0.2276471), wk = 0.0028902 k( 273) = ( 0.2844828 0.2844828 0.2276471), wk = 0.0028902 k( 274) = ( 0.2758621 0.2758621 0.2276471), wk = 0.0028902 k( 275) = ( 0.2672414 0.2672414 0.2276471), wk = 0.0028902 k( 276) = ( 0.2586207 0.2586207 0.2276471), wk = 0.0028902 k( 277) = ( 0.2500000 0.2500000 0.2276471), wk = 0.0028902 k( 278) = ( 0.2413793 0.2413793 0.2276471), wk = 0.0028902 k( 279) = ( 0.2327586 0.2327586 0.2276471), wk = 0.0028902 k( 280) = ( 0.2241379 0.2241379 0.2276471), wk = 0.0028902 k( 281) = ( 0.2155172 0.2155172 0.2276471), wk = 0.0028902 k( 282) = ( 0.2068966 0.2068965 0.2276471), wk = 0.0028902 k( 283) = ( 0.1982759 0.1982759 0.2276471), wk = 0.0028902 k( 284) = ( 0.1896552 0.1896552 0.2276471), wk = 0.0028902 k( 285) = ( 0.1810345 0.1810345 0.2276471), wk = 0.0028902 k( 286) = ( 0.1724138 0.1724138 0.2276471), wk = 0.0028902 k( 287) = ( 0.1637931 0.1637931 0.2276471), wk = 0.0028902 k( 288) = ( 0.1551724 0.1551724 0.2276471), wk = 0.0028902 k( 289) = ( 0.1465517 0.1465517 0.2276471), wk = 0.0028902 k( 290) = ( 0.1379310 0.1379310 0.2276471), wk = 0.0028902 k( 291) = ( 0.1293103 0.1293103 0.2276471), wk = 0.0028902 k( 292) = ( 0.1206897 0.1206897 0.2276471), wk = 0.0028902 k( 293) = ( 0.1120690 0.1120690 0.2276471), wk = 0.0028902 k( 294) = ( 0.1034483 0.1034483 0.2276471), wk = 0.0028902 k( 295) = ( 0.0948276 0.0948276 0.2276471), wk = 0.0028902 k( 296) = ( 0.0862069 0.0862069 0.2276471), wk = 0.0028902 k( 297) = ( 0.0775862 0.0775862 0.2276471), wk = 0.0028902 k( 298) = ( 0.0689655 0.0689655 0.2276471), wk = 0.0028902 k( 299) = ( 0.0603448 0.0603448 0.2276471), wk = 0.0028902 k( 300) = ( 0.0517241 0.0517241 0.2276471), wk = 0.0028902 k( 301) = ( 0.0431035 0.0431034 0.2276471), wk = 0.0028902 k( 302) = ( 0.0344828 0.0344828 0.2276471), wk = 0.0028902 k( 303) = ( 0.0258621 0.0258621 0.2276471), wk = 0.0028902 k( 304) = ( 0.0172414 0.0172414 0.2276471), wk = 0.0028902 k( 305) = ( 0.0086207 0.0086207 0.2276471), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.2276471), wk = 0.0028902 k( 307) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 308) = ( 0.0000000 0.5000000 0.0119814), wk = 0.0028902 k( 309) = ( 0.0000000 0.5000000 0.0239628), wk = 0.0028902 k( 310) = ( 0.0000000 0.5000000 0.0359443), wk = 0.0028902 k( 311) = ( 0.0000000 0.5000000 0.0479257), wk = 0.0028902 k( 312) = ( 0.0000000 0.5000000 0.0599071), wk = 0.0028902 k( 313) = ( 0.0000000 0.5000000 0.0718885), wk = 0.0028902 k( 314) = ( 0.0000000 0.5000000 0.0838700), wk = 0.0028902 k( 315) = ( 0.0000000 0.5000000 0.0958514), wk = 0.0028902 k( 316) = ( 0.0000000 0.5000000 0.1078328), wk = 0.0028902 k( 317) = ( 0.0000000 0.5000000 0.1198142), wk = 0.0028902 k( 318) = ( 0.0000000 0.5000000 0.1317957), wk = 0.0028902 k( 319) = ( 0.0000000 0.5000000 0.1437771), wk = 0.0028902 k( 320) = ( 0.0000000 0.5000000 0.1557585), wk = 0.0028902 k( 321) = ( 0.0000000 0.5000000 0.1677399), wk = 0.0028902 k( 322) = ( 0.0000000 0.5000000 0.1797214), wk = 0.0028902 k( 323) = ( 0.0000000 0.5000000 0.1917028), wk = 0.0028902 k( 324) = ( 0.0000000 0.5000000 0.2036842), wk = 0.0028902 k( 325) = ( 0.0000000 0.5000000 0.2156656), wk = 0.0028902 k( 326) = ( 0.0000000 0.5000000 0.2276471), wk = 0.0028902 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028902 k( 328) = ( 0.5000000 0.5000000 0.0119814), wk = 0.0028902 k( 329) = ( 0.5000000 0.5000000 0.0239628), wk = 0.0028902 k( 330) = ( 0.5000000 0.5000000 0.0359443), wk = 0.0028902 k( 331) = ( 0.5000000 0.5000000 0.0479257), wk = 0.0028902 k( 332) = ( 0.5000000 0.5000000 0.0599071), wk = 0.0028902 k( 333) = ( 0.5000000 0.5000000 0.0718885), wk = 0.0028902 k( 334) = ( 0.5000000 0.5000000 0.0838700), wk = 0.0028902 k( 335) = ( 0.5000000 0.5000000 0.0958514), wk = 0.0028902 k( 336) = ( 0.5000000 0.5000000 0.1078328), wk = 0.0028902 k( 337) = ( 0.5000000 0.5000000 0.1198142), wk = 0.0028902 k( 338) = ( 0.5000000 0.5000000 0.1317957), wk = 0.0028902 k( 339) = ( 0.5000000 0.5000000 0.1437771), wk = 0.0028902 k( 340) = ( 0.5000000 0.5000000 0.1557585), wk = 0.0028902 k( 341) = ( 0.5000000 0.5000000 0.1677399), wk = 0.0028902 k( 342) = ( 0.5000000 0.5000000 0.1797214), wk = 0.0028902 k( 343) = ( 0.5000000 0.5000000 0.1917028), wk = 0.0028902 k( 344) = ( 0.5000000 0.5000000 0.2036842), wk = 0.0028902 k( 345) = ( 0.5000000 0.5000000 0.2156656), wk = 0.0028902 k( 346) = ( 0.5000000 0.5000000 0.2276471), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0028902 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0028902 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0028902 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0028902 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0028902 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0028902 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0028902 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0028902 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0028902 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0028902 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0028902 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0028902 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0028902 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0028902 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0028902 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0028902 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0028902 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0028902 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0028902 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0028902 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0028902 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0028902 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0028902 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0028902 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0028902 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0028902 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0028902 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0028902 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0028902 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0028902 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0028902 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0028902 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0028902 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0028902 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0028902 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0028902 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0028902 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0028902 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028902 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028902 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0028902 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0028902 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0028902 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0028902 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0028902 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0028902 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0028902 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0028902 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0028902 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0028902 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0028902 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0028902 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0028902 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0028902 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0028902 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0028902 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0028902 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0028902 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0028902 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0028902 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0028902 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0028902 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0028902 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0028902 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0028902 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0028902 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0028902 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0028902 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0028902 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0028902 k( 76) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0028902 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0028902 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0028902 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0028902 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0028902 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0028902 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0028902 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0028902 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0028902 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0028902 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0028902 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0028902 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0028902 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0028902 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0028902 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0028902 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0028902 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0028902 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0028902 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028902 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0028902 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0028902 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0028902 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0028902 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0028902 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0028902 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0028902 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0028902 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0028902 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0028902 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0028902 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0028902 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0028902 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0028902 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0028902 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0028902 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028902 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0028902 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0028902 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0028902 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0028902 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0028902 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0028902 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0028902 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0028902 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0028902 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0028902 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0028902 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0028902 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0028902 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0028902 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0028902 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0028902 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0028902 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0028902 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0028902 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0028902 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0028902 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0028902 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0028902 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0028902 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0028902 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0028902 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0028902 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 165) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0028902 k( 166) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0028902 k( 167) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0028902 k( 168) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0028902 k( 169) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0028902 k( 170) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0028902 k( 171) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0028902 k( 172) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0028902 k( 173) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0028902 k( 174) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0028902 k( 175) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0028902 k( 176) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0028902 k( 177) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0028902 k( 178) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0028902 k( 179) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0028902 k( 180) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0028902 k( 181) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0028902 k( 182) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0028902 k( 183) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0028902 k( 184) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0028902 k( 185) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0028902 k( 186) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0028902 k( 187) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0028902 k( 188) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0028902 k( 189) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0028902 k( 190) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0028902 k( 191) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0028902 k( 192) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0028902 k( 193) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0028902 k( 194) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0028902 k( 195) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0028902 k( 196) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0028902 k( 197) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0028902 k( 198) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0028902 k( 199) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0028902 k( 200) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0028902 k( 201) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0028902 k( 202) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0028902 k( 203) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0028902 k( 204) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0028902 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 207) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0028902 k( 208) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0028902 k( 209) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0028902 k( 210) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0028902 k( 211) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0028902 k( 212) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0028902 k( 213) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0028902 k( 214) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0028902 k( 215) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0028902 k( 216) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0028902 k( 217) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0028902 k( 218) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0028902 k( 219) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0028902 k( 220) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0028902 k( 221) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0028902 k( 222) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0028902 k( 223) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0028902 k( 224) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0028902 k( 225) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0028902 k( 226) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0028902 k( 227) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0028902 k( 228) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0028902 k( 229) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0028902 k( 230) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0028902 k( 231) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0028902 k( 232) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0028902 k( 233) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0028902 k( 234) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0028902 k( 235) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0028902 k( 236) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0028902 k( 237) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0028902 k( 238) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0028902 k( 239) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0028902 k( 240) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0028902 k( 241) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0028902 k( 242) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0028902 k( 243) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0028902 k( 244) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0028902 k( 245) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0028902 k( 246) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0028902 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 249) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0028902 k( 250) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0028902 k( 251) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0028902 k( 252) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0028902 k( 253) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0028902 k( 254) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0028902 k( 255) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0028902 k( 256) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0028902 k( 257) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0028902 k( 258) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0028902 k( 259) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0028902 k( 260) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0028902 k( 261) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0028902 k( 262) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0028902 k( 263) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0028902 k( 264) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0028902 k( 265) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0028902 k( 266) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0028902 k( 267) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0028902 k( 268) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0028902 k( 269) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0028902 k( 270) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0028902 k( 271) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0028902 k( 272) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0028902 k( 273) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0028902 k( 274) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0028902 k( 275) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0028902 k( 276) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0028902 k( 277) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028902 k( 278) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0028902 k( 279) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0028902 k( 280) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0028902 k( 281) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0028902 k( 282) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0028902 k( 283) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0028902 k( 284) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0028902 k( 285) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0028902 k( 286) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0028902 k( 287) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0028902 k( 288) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0028902 k( 289) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0028902 k( 290) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0028902 k( 291) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0028902 k( 292) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0028902 k( 293) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0028902 k( 294) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0028902 k( 295) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0028902 k( 296) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0028902 k( 297) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0028902 k( 298) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0028902 k( 299) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0028902 k( 300) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0028902 k( 301) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0028902 k( 302) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0028902 k( 303) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0028902 k( 304) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0028902 k( 305) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 307) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028902 k( 308) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0028902 k( 309) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0028902 k( 310) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0028902 k( 311) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0028902 k( 312) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0028902 k( 313) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0028902 k( 314) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0028902 k( 315) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0028902 k( 316) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0028902 k( 317) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0028902 k( 318) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0028902 k( 319) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0028902 k( 320) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0028902 k( 321) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0028902 k( 322) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0028902 k( 323) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0028902 k( 324) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0028902 k( 325) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0028902 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 328) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0028902 k( 329) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0028902 k( 330) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0028902 k( 331) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0028902 k( 332) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0028902 k( 333) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0028902 k( 334) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0028902 k( 335) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0028902 k( 336) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0028902 k( 337) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0028902 k( 338) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0028902 k( 339) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0028902 k( 340) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0028902 k( 341) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0028902 k( 342) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0028902 k( 343) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0028902 k( 344) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0028902 k( 345) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0028902 k( 346) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 Dense grid: 62943 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 38491 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 284, 52) NL pseudopotentials 0.36 Mb ( 142, 164) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1748) G-vector shells 0.01 Mb ( 838) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 284, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./HfGeTe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.3 secs Computing kpt #: 22 total cpu time spent up to now is 13.8 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.5 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.5 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.2 secs Computing kpt #: 31 total cpu time spent up to now is 18.7 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.4 secs Computing kpt #: 35 total cpu time spent up to now is 21.0 secs Computing kpt #: 36 total cpu time spent up to now is 21.6 secs Computing kpt #: 37 total cpu time spent up to now is 22.1 secs Computing kpt #: 38 total cpu time spent up to now is 22.7 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.3 secs Computing kpt #: 42 total cpu time spent up to now is 24.9 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.6 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.6 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 30.7 secs Computing kpt #: 54 total cpu time spent up to now is 31.3 secs Computing kpt #: 55 total cpu time spent up to now is 31.8 secs Computing kpt #: 56 total cpu time spent up to now is 32.3 secs Computing kpt #: 57 total cpu time spent up to now is 32.8 secs Computing kpt #: 58 total cpu time spent up to now is 33.2 secs Computing kpt #: 59 total cpu time spent up to now is 33.7 secs Computing kpt #: 60 total cpu time spent up to now is 34.2 secs Computing kpt #: 61 total cpu time spent up to now is 34.7 secs Computing kpt #: 62 total cpu time spent up to now is 35.2 secs Computing kpt #: 63 total cpu time spent up to now is 35.7 secs Computing kpt #: 64 total cpu time spent up to now is 36.2 secs Computing kpt #: 65 total cpu time spent up to now is 36.8 secs Computing kpt #: 66 total cpu time spent up to now is 37.3 secs Computing kpt #: 67 total cpu time spent up to now is 37.8 secs Computing kpt #: 68 total cpu time spent up to now is 38.3 secs Computing kpt #: 69 total cpu time spent up to now is 38.8 secs Computing kpt #: 70 total cpu time spent up to now is 39.2 secs Computing kpt #: 71 total cpu time spent up to now is 39.7 secs Computing kpt #: 72 total cpu time spent up to now is 40.2 secs Computing kpt #: 73 total cpu time spent up to now is 40.7 secs Computing kpt #: 74 total cpu time spent up to now is 41.3 secs Computing kpt #: 75 total cpu time spent up to now is 41.8 secs Computing kpt #: 76 total cpu time spent up to now is 42.4 secs Computing kpt #: 77 total cpu time spent up to now is 42.9 secs Computing kpt #: 78 total cpu time spent up to now is 43.4 secs Computing kpt #: 79 total cpu time spent up to now is 44.0 secs Computing kpt #: 80 total cpu time spent up to now is 44.5 secs Computing kpt #: 81 total cpu time spent up to now is 45.1 secs Computing kpt #: 82 total cpu time spent up to now is 45.6 secs Computing kpt #: 83 total cpu time spent up to now is 46.2 secs Computing kpt #: 84 total cpu time spent up to now is 46.8 secs Computing kpt #: 85 total cpu time spent up to now is 47.3 secs Computing kpt #: 86 total cpu time spent up to now is 47.9 secs Computing kpt #: 87 total cpu time spent up to now is 48.5 secs Computing kpt #: 88 total cpu time spent up to now is 49.0 secs Computing kpt #: 89 total cpu time spent up to now is 49.6 secs Computing kpt #: 90 total cpu time spent up to now is 50.2 secs Computing kpt #: 91 total cpu time spent up to now is 50.8 secs Computing kpt #: 92 total cpu time spent up to now is 51.4 secs Computing kpt #: 93 total cpu time spent up to now is 52.0 secs Computing kpt #: 94 total cpu time spent up to now is 52.6 secs Computing kpt #: 95 total cpu time spent up to now is 53.2 secs Computing kpt #: 96 total cpu time spent up to now is 53.8 secs Computing kpt #: 97 total cpu time spent up to now is 54.3 secs Computing kpt #: 98 total cpu time spent up to now is 54.9 secs Computing kpt #: 99 total cpu time spent up to now is 55.5 secs Computing kpt #: 100 total cpu time spent up to now is 56.1 secs Computing kpt #: 101 total cpu time spent up to now is 56.7 secs Computing kpt #: 102 total cpu time spent up to now is 57.3 secs Computing kpt #: 103 total cpu time spent up to now is 57.9 secs Computing kpt #: 104 total cpu time spent up to now is 58.5 secs Computing kpt #: 105 total cpu time spent up to now is 59.0 secs Computing kpt #: 106 total cpu time spent up to now is 59.5 secs Computing kpt #: 107 total cpu time spent up to now is 60.1 secs Computing kpt #: 108 total cpu time spent up to now is 60.6 secs Computing kpt #: 109 total cpu time spent up to now is 61.1 secs Computing kpt #: 110 total cpu time spent up to now is 61.7 secs Computing kpt #: 111 total cpu time spent up to now is 62.2 secs Computing kpt #: 112 total cpu time spent up to now is 62.8 secs Computing kpt #: 113 total cpu time spent up to now is 63.3 secs Computing kpt #: 114 total cpu time spent up to now is 63.8 secs Computing kpt #: 115 total cpu time spent up to now is 64.2 secs Computing kpt #: 116 total cpu time spent up to now is 64.7 secs Computing kpt #: 117 total cpu time spent up to now is 65.1 secs Computing kpt #: 118 total cpu time spent up to now is 65.6 secs Computing kpt #: 119 total cpu time spent up to now is 66.1 secs Computing kpt #: 120 total cpu time spent up to now is 66.7 secs Computing kpt #: 121 total cpu time spent up to now is 67.2 secs Computing kpt #: 122 total cpu time spent up to now is 67.7 secs Computing kpt #: 123 total cpu time spent up to now is 68.1 secs Computing kpt #: 124 total cpu time spent up to now is 68.6 secs Computing kpt #: 125 total cpu time spent up to now is 69.0 secs Computing kpt #: 126 total cpu time spent up to now is 69.5 secs Computing kpt #: 127 total cpu time spent up to now is 70.0 secs Computing kpt #: 128 total cpu time spent up to now is 70.9 secs Computing kpt #: 129 total cpu time spent up to now is 71.8 secs Computing kpt #: 130 total cpu time spent up to now is 72.3 secs Computing kpt #: 131 total cpu time spent up to now is 72.8 secs Computing kpt #: 132 total cpu time spent up to now is 73.3 secs Computing kpt #: 133 total cpu time spent up to now is 73.7 secs Computing kpt #: 134 total cpu time spent up to now is 74.2 secs Computing kpt #: 135 total cpu time spent up to now is 74.7 secs Computing kpt #: 136 total cpu time spent up to now is 75.2 secs Computing kpt #: 137 total cpu time spent up to now is 75.7 secs Computing kpt #: 138 total cpu time spent up to now is 76.2 secs Computing kpt #: 139 total cpu time spent up to now is 76.8 secs Computing kpt #: 140 total cpu time spent up to now is 77.3 secs Computing kpt #: 141 total cpu time spent up to now is 77.8 secs Computing kpt #: 142 total cpu time spent up to now is 78.3 secs Computing kpt #: 143 total cpu time spent up to now is 78.9 secs Computing kpt #: 144 total cpu time spent up to now is 79.4 secs Computing kpt #: 145 total cpu time spent up to now is 79.9 secs Computing kpt #: 146 total cpu time spent up to now is 80.5 secs Computing kpt #: 147 total cpu time spent up to now is 81.0 secs Computing kpt #: 148 total cpu time spent up to now is 81.6 secs Computing kpt #: 149 total cpu time spent up to now is 82.1 secs Computing kpt #: 150 total cpu time spent up to now is 82.7 secs Computing kpt #: 151 total cpu time spent up to now is 83.2 secs Computing kpt #: 152 total cpu time spent up to now is 83.8 secs Computing kpt #: 153 total cpu time spent up to now is 84.2 secs Computing kpt #: 154 total cpu time spent up to now is 84.7 secs Computing kpt #: 155 total cpu time spent up to now is 85.1 secs Computing kpt #: 156 total cpu time spent up to now is 85.6 secs Computing kpt #: 157 total cpu time spent up to now is 86.0 secs Computing kpt #: 158 total cpu time spent up to now is 86.5 secs Computing kpt #: 159 total cpu time spent up to now is 86.9 secs Computing kpt #: 160 total cpu time spent up to now is 87.4 secs Computing kpt #: 161 total cpu time spent up to now is 87.8 secs Computing kpt #: 162 total cpu time spent up to now is 88.3 secs Computing kpt #: 163 total cpu time spent up to now is 88.7 secs Computing kpt #: 164 total cpu time spent up to now is 89.2 secs Computing kpt #: 165 total cpu time spent up to now is 89.6 secs Computing kpt #: 166 total cpu time spent up to now is 90.1 secs Computing kpt #: 167 total cpu time spent up to now is 90.5 secs Computing kpt #: 168 total cpu time spent up to now is 91.0 secs Computing kpt #: 169 total cpu time spent up to now is 91.5 secs Computing kpt #: 170 total cpu time spent up to now is 92.0 secs Computing kpt #: 171 total cpu time spent up to now is 92.5 secs Computing kpt #: 172 total cpu time spent up to now is 92.9 secs Computing kpt #: 173 total cpu time spent up to now is 93.4 secs Computing kpt #: 174 total cpu time spent up to now is 93.9 secs Computing kpt #: 175 total cpu time spent up to now is 94.3 secs Computing kpt #: 176 total cpu time spent up to now is 94.8 secs Computing kpt #: 177 total cpu time spent up to now is 95.2 secs Computing kpt #: 178 total cpu time spent up to now is 95.7 secs Computing kpt #: 179 total cpu time spent up to now is 96.1 secs Computing kpt #: 180 total cpu time spent up to now is 96.6 secs Computing kpt #: 181 total cpu time spent up to now is 97.0 secs Computing kpt #: 182 total cpu time spent up to now is 97.5 secs Computing kpt #: 183 total cpu time spent up to now is 97.9 secs Computing kpt #: 184 total cpu time spent up to now is 98.7 secs Computing kpt #: 185 total cpu time spent up to now is 99.2 secs Computing kpt #: 186 total cpu time spent up to now is 99.7 secs Computing kpt #: 187 total cpu time spent up to now is 100.1 secs Computing kpt #: 188 total cpu time spent up to now is 100.6 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 101.9 secs Computing kpt #: 192 total cpu time spent up to now is 102.4 secs Computing kpt #: 193 total cpu time spent up to now is 102.9 secs Computing kpt #: 194 total cpu time spent up to now is 103.3 secs Computing kpt #: 195 total cpu time spent up to now is 103.8 secs Computing kpt #: 196 total cpu time spent up to now is 104.3 secs Computing kpt #: 197 total cpu time spent up to now is 104.8 secs Computing kpt #: 198 total cpu time spent up to now is 105.3 secs Computing kpt #: 199 total cpu time spent up to now is 105.8 secs Computing kpt #: 200 total cpu time spent up to now is 106.3 secs Computing kpt #: 201 total cpu time spent up to now is 107.0 secs Computing kpt #: 202 total cpu time spent up to now is 107.5 secs Computing kpt #: 203 total cpu time spent up to now is 107.9 secs Computing kpt #: 204 total cpu time spent up to now is 108.4 secs Computing kpt #: 205 total cpu time spent up to now is 108.8 secs Computing kpt #: 206 total cpu time spent up to now is 109.2 secs Computing kpt #: 207 total cpu time spent up to now is 109.7 secs Computing kpt #: 208 total cpu time spent up to now is 110.1 secs Computing kpt #: 209 total cpu time spent up to now is 110.6 secs Computing kpt #: 210 total cpu time spent up to now is 111.0 secs Computing kpt #: 211 total cpu time spent up to now is 111.4 secs Computing kpt #: 212 total cpu time spent up to now is 111.9 secs Computing kpt #: 213 total cpu time spent up to now is 112.3 secs Computing kpt #: 214 total cpu time spent up to now is 112.8 secs Computing kpt #: 215 total cpu time spent up to now is 113.3 secs Computing kpt #: 216 total cpu time spent up to now is 113.7 secs Computing kpt #: 217 total cpu time spent up to now is 114.2 secs Computing kpt #: 218 total cpu time spent up to now is 114.7 secs Computing kpt #: 219 total cpu time spent up to now is 115.2 secs Computing kpt #: 220 total cpu time spent up to now is 115.6 secs Computing kpt #: 221 total cpu time spent up to now is 116.1 secs Computing kpt #: 222 total cpu time spent up to now is 116.6 secs Computing kpt #: 223 total cpu time spent up to now is 117.1 secs Computing kpt #: 224 total cpu time spent up to now is 117.5 secs Computing kpt #: 225 total cpu time spent up to now is 118.0 secs Computing kpt #: 226 total cpu time spent up to now is 118.5 secs Computing kpt #: 227 total cpu time spent up to now is 118.9 secs Computing kpt #: 228 total cpu time spent up to now is 119.5 secs Computing kpt #: 229 total cpu time spent up to now is 120.0 secs Computing kpt #: 230 total cpu time spent up to now is 120.5 secs Computing kpt #: 231 total cpu time spent up to now is 121.0 secs Computing kpt #: 232 total cpu time spent up to now is 121.6 secs Computing kpt #: 233 total cpu time spent up to now is 122.1 secs Computing kpt #: 234 total cpu time spent up to now is 122.6 secs Computing kpt #: 235 total cpu time spent up to now is 123.0 secs Computing kpt #: 236 total cpu time spent up to now is 123.5 secs Computing kpt #: 237 total cpu time spent up to now is 124.0 secs Computing kpt #: 238 total cpu time spent up to now is 124.5 secs Computing kpt #: 239 total cpu time spent up to now is 125.0 secs Computing kpt #: 240 total cpu time spent up to now is 125.5 secs Computing kpt #: 241 total cpu time spent up to now is 126.0 secs Computing kpt #: 242 total cpu time spent up to now is 126.4 secs Computing kpt #: 243 total cpu time spent up to now is 126.9 secs Computing kpt #: 244 total cpu time spent up to now is 127.4 secs Computing kpt #: 245 total cpu time spent up to now is 127.9 secs Computing kpt #: 246 total cpu time spent up to now is 128.4 secs Computing kpt #: 247 total cpu time spent up to now is 128.9 secs Computing kpt #: 248 total cpu time spent up to now is 129.4 secs Computing kpt #: 249 total cpu time spent up to now is 129.9 secs Computing kpt #: 250 total cpu time spent up to now is 130.4 secs Computing kpt #: 251 total cpu time spent up to now is 130.9 secs Computing kpt #: 252 total cpu time spent up to now is 131.4 secs Computing kpt #: 253 total cpu time spent up to now is 131.9 secs Computing kpt #: 254 total cpu time spent up to now is 132.4 secs Computing kpt #: 255 total cpu time spent up to now is 132.9 secs Computing kpt #: 256 total cpu time spent up to now is 133.4 secs Computing kpt #: 257 total cpu time spent up to now is 133.9 secs Computing kpt #: 258 total cpu time spent up to now is 134.5 secs Computing kpt #: 259 total cpu time spent up to now is 135.0 secs Computing kpt #: 260 total cpu time spent up to now is 135.6 secs Computing kpt #: 261 total cpu time spent up to now is 136.2 secs Computing kpt #: 262 total cpu time spent up to now is 136.7 secs Computing kpt #: 263 total cpu time spent up to now is 137.3 secs Computing kpt #: 264 total cpu time spent up to now is 137.8 secs Computing kpt #: 265 total cpu time spent up to now is 138.3 secs Computing kpt #: 266 total cpu time spent up to now is 138.7 secs Computing kpt #: 267 total cpu time spent up to now is 139.2 secs Computing kpt #: 268 total cpu time spent up to now is 139.6 secs Computing kpt #: 269 total cpu time spent up to now is 140.1 secs Computing kpt #: 270 total cpu time spent up to now is 140.8 secs Computing kpt #: 271 total cpu time spent up to now is 141.2 secs Computing kpt #: 272 total cpu time spent up to now is 141.7 secs Computing kpt #: 273 total cpu time spent up to now is 142.1 secs Computing kpt #: 274 total cpu time spent up to now is 142.6 secs Computing kpt #: 275 total cpu time spent up to now is 143.1 secs Computing kpt #: 276 total cpu time spent up to now is 143.5 secs Computing kpt #: 277 total cpu time spent up to now is 144.0 secs Computing kpt #: 278 total cpu time spent up to now is 144.4 secs Computing kpt #: 279 total cpu time spent up to now is 144.9 secs Computing kpt #: 280 total cpu time spent up to now is 145.4 secs Computing kpt #: 281 total cpu time spent up to now is 145.9 secs Computing kpt #: 282 total cpu time spent up to now is 146.6 secs Computing kpt #: 283 total cpu time spent up to now is 147.3 secs Computing kpt #: 284 total cpu time spent up to now is 148.0 secs Computing kpt #: 285 total cpu time spent up to now is 148.8 secs Computing kpt #: 286 total cpu time spent up to now is 149.5 secs Computing kpt #: 287 total cpu time spent up to now is 150.0 secs Computing kpt #: 288 total cpu time spent up to now is 150.4 secs Computing kpt #: 289 total cpu time spent up to now is 150.9 secs Computing kpt #: 290 total cpu time spent up to now is 151.3 secs Computing kpt #: 291 total cpu time spent up to now is 151.7 secs Computing kpt #: 292 total cpu time spent up to now is 152.2 secs Computing kpt #: 293 total cpu time spent up to now is 152.7 secs Computing kpt #: 294 total cpu time spent up to now is 153.3 secs Computing kpt #: 295 total cpu time spent up to now is 153.7 secs Computing kpt #: 296 total cpu time spent up to now is 154.3 secs Computing kpt #: 297 total cpu time spent up to now is 154.9 secs Computing kpt #: 298 total cpu time spent up to now is 155.4 secs Computing kpt #: 299 total cpu time spent up to now is 155.8 secs Computing kpt #: 300 total cpu time spent up to now is 156.3 secs Computing kpt #: 301 total cpu time spent up to now is 156.8 secs Computing kpt #: 302 total cpu time spent up to now is 157.3 secs Computing kpt #: 303 total cpu time spent up to now is 157.8 secs Computing kpt #: 304 total cpu time spent up to now is 158.2 secs Computing kpt #: 305 total cpu time spent up to now is 158.7 secs Computing kpt #: 306 total cpu time spent up to now is 159.1 secs Computing kpt #: 307 total cpu time spent up to now is 159.7 secs Computing kpt #: 308 total cpu time spent up to now is 160.2 secs Computing kpt #: 309 total cpu time spent up to now is 160.8 secs Computing kpt #: 310 total cpu time spent up to now is 161.3 secs Computing kpt #: 311 total cpu time spent up to now is 161.8 secs Computing kpt #: 312 total cpu time spent up to now is 162.4 secs Computing kpt #: 313 total cpu time spent up to now is 162.9 secs Computing kpt #: 314 total cpu time spent up to now is 163.4 secs Computing kpt #: 315 total cpu time spent up to now is 164.0 secs Computing kpt #: 316 total cpu time spent up to now is 164.5 secs Computing kpt #: 317 total cpu time spent up to now is 165.1 secs Computing kpt #: 318 total cpu time spent up to now is 165.7 secs Computing kpt #: 319 total cpu time spent up to now is 166.2 secs Computing kpt #: 320 total cpu time spent up to now is 166.6 secs Computing kpt #: 321 total cpu time spent up to now is 167.1 secs Computing kpt #: 322 total cpu time spent up to now is 167.5 secs Computing kpt #: 323 total cpu time spent up to now is 168.0 secs Computing kpt #: 324 total cpu time spent up to now is 168.4 secs Computing kpt #: 325 total cpu time spent up to now is 168.9 secs Computing kpt #: 326 total cpu time spent up to now is 169.3 secs Computing kpt #: 327 total cpu time spent up to now is 169.9 secs Computing kpt #: 328 total cpu time spent up to now is 170.4 secs Computing kpt #: 329 total cpu time spent up to now is 171.0 secs Computing kpt #: 330 total cpu time spent up to now is 171.6 secs Computing kpt #: 331 total cpu time spent up to now is 172.2 secs Computing kpt #: 332 total cpu time spent up to now is 172.8 secs Computing kpt #: 333 total cpu time spent up to now is 173.4 secs Computing kpt #: 334 total cpu time spent up to now is 173.9 secs Computing kpt #: 335 total cpu time spent up to now is 174.5 secs Computing kpt #: 336 total cpu time spent up to now is 175.1 secs Computing kpt #: 337 total cpu time spent up to now is 175.8 secs Computing kpt #: 338 total cpu time spent up to now is 176.4 secs Computing kpt #: 339 total cpu time spent up to now is 177.0 secs Computing kpt #: 340 total cpu time spent up to now is 177.5 secs Computing kpt #: 341 total cpu time spent up to now is 178.1 secs Computing kpt #: 342 total cpu time spent up to now is 178.6 secs Computing kpt #: 343 total cpu time spent up to now is 179.1 secs Computing kpt #: 344 total cpu time spent up to now is 179.6 secs Computing kpt #: 345 total cpu time spent up to now is 180.1 secs Computing kpt #: 346 total cpu time spent up to now is 180.6 secs ethr = 2.27E-08, avg # of iterations = 22.4 total cpu time spent up to now is 180.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2522 -25.2522 -17.5351 -17.5351 -17.5336 -17.5336 -17.5320 -17.5320 -17.5173 -17.5173 -2.1140 -2.1140 -0.0265 -0.0265 0.1433 0.1433 6.5898 6.5898 6.8733 6.8733 6.9936 6.9936 8.0996 8.0996 8.4727 8.4727 8.9238 8.9238 9.0831 9.0831 9.5227 9.5227 10.0871 10.0871 10.8677 10.8677 11.1933 11.1933 11.6912 11.6912 11.6914 11.6914 13.0672 13.0672 13.1736 13.1736 k = 0.0000 0.0122-0.0000 ( 4769 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2523 -25.2523 -17.5351 -17.5351 -17.5336 -17.5336 -17.5321 -17.5321 -17.5173 -17.5173 -2.1126 -2.1126 -0.0258 -0.0258 0.1446 0.1446 6.5906 6.5906 6.8679 6.8679 6.9837 6.9837 8.1012 8.1012 8.4738 8.4738 8.9267 8.9267 9.0848 9.0848 9.5188 9.5188 10.0867 10.0867 10.8641 10.8641 11.1962 11.1962 11.6921 11.6921 11.6984 11.6984 13.0441 13.0441 13.1835 13.1835 k = 0.0000 0.0244-0.0000 ( 4781 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2524 -25.2524 -17.5353 -17.5353 -17.5336 -17.5336 -17.5324 -17.5324 -17.5174 -17.5174 -2.1085 -2.1085 -0.0236 -0.0236 0.1482 0.1482 6.5927 6.5927 6.8521 6.8521 6.9544 6.9544 8.1058 8.1058 8.4770 8.4770 8.9349 8.9349 9.0901 9.0901 9.5069 9.5069 10.0856 10.0856 10.8536 10.8536 11.2048 11.2048 11.6948 11.6948 11.7196 11.7196 12.9984 12.9984 13.1806 13.1806 k = 0.0000 0.0366-0.0000 ( 4785 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2546 -25.2546 -25.2525 -25.2525 -17.5356 -17.5356 -17.5335 -17.5335 -17.5327 -17.5327 -17.5175 -17.5175 -2.1016 -2.1016 -0.0199 -0.0199 0.1543 0.1543 6.5956 6.5956 6.8263 6.8263 6.9076 6.9076 8.1133 8.1133 8.4823 8.4823 8.9472 8.9472 9.0995 9.0995 9.4867 9.4867 10.0838 10.0838 10.8364 10.8364 11.2184 11.2184 11.7000 11.7000 11.7545 11.7545 12.9481 12.9481 13.1690 13.1690 k = 0.0000 0.0488-0.0000 ( 4785 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2547 -25.2547 -25.2526 -25.2526 -17.5361 -17.5361 -17.5334 -17.5334 -17.5332 -17.5332 -17.5176 -17.5176 -2.0920 -2.0920 -0.0148 -0.0148 0.1629 0.1629 6.5976 6.5976 6.7910 6.7910 6.8464 6.8464 8.1236 8.1236 8.4895 8.4895 8.9616 8.9616 9.1139 9.1139 9.4580 9.4580 10.0817 10.0817 10.8134 10.8134 11.2357 11.2357 11.7085 11.7085 11.8024 11.8024 12.8983 12.8983 13.1491 13.1491 k = 0.0000 0.0610-0.0000 ( 4793 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2548 -25.2548 -25.2528 -25.2528 -17.5369 -17.5369 -17.5338 -17.5338 -17.5333 -17.5333 -17.5177 -17.5177 -2.0797 -2.0797 -0.0084 -0.0084 0.1739 0.1739 6.5942 6.5942 6.7449 6.7449 6.7799 6.7799 8.1364 8.1364 8.4986 8.4986 8.9764 8.9764 9.1339 9.1339 9.4205 9.4205 10.0795 10.0795 10.7855 10.7855 11.2552 11.2552 11.7213 11.7213 11.8625 11.8625 12.8505 12.8505 13.1201 13.1201 k = 0.0000 0.0732-0.0000 ( 4786 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2549 -25.2549 -25.2529 -25.2529 -17.5377 -17.5377 -17.5345 -17.5345 -17.5330 -17.5330 -17.5177 -17.5177 -2.0646 -2.0646 -0.0006 -0.0006 0.1873 0.1873 6.5721 6.5721 6.6797 6.6797 6.7321 6.7321 8.1515 8.1515 8.5095 8.5095 8.9903 8.9903 9.1589 9.1589 9.3744 9.3744 10.0772 10.0772 10.7537 10.7537 11.2748 11.2748 11.7401 11.7401 11.9337 11.9337 12.8058 12.8058 13.0825 13.0825 k = 0.0000 0.0854-0.0000 ( 4794 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2551 -25.2551 -25.2531 -25.2531 -17.5387 -17.5387 -17.5354 -17.5354 -17.5328 -17.5328 -17.5178 -17.5178 -2.0469 -2.0469 0.0084 0.0084 0.2031 0.2031 6.5101 6.5101 6.6105 6.6105 6.7124 6.7124 8.1687 8.1687 8.5223 8.5223 9.0031 9.0031 9.1868 9.1868 9.3214 9.3214 10.0746 10.0746 10.7192 10.7192 11.2923 11.2923 11.7660 11.7660 12.0146 12.0146 12.7648 12.7648 13.0385 13.0385 k = 0.0000 0.0976-0.0000 ( 4806 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2553 -25.2553 -25.2534 -25.2534 -17.5399 -17.5399 -17.5365 -17.5365 -17.5325 -17.5325 -17.5179 -17.5179 -2.0265 -2.0265 0.0186 0.0186 0.2213 0.2213 6.4130 6.4130 6.5424 6.5424 6.7133 6.7133 8.1878 8.1878 8.5370 8.5370 9.0151 9.0151 9.2032 9.2032 9.2748 9.2748 10.0715 10.0715 10.6835 10.6835 11.3059 11.3059 11.8001 11.8001 12.1038 12.1038 12.7281 12.7281 12.9906 12.9906 k = 0.0000 0.1098-0.0000 ( 4814 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2555 -25.2555 -25.2536 -25.2536 -17.5412 -17.5412 -17.5377 -17.5377 -17.5322 -17.5322 -17.5180 -17.5180 -2.0035 -2.0035 0.0298 0.0298 0.2420 0.2420 6.2988 6.2988 6.4699 6.4699 6.7249 6.7249 8.2085 8.2085 8.5536 8.5536 9.0271 9.0271 9.1595 9.1595 9.2831 9.2831 10.0672 10.0672 10.6477 10.6477 11.3143 11.3143 11.8426 11.8426 12.1991 12.1991 12.6964 12.6964 12.9411 12.9411 k = 0.0000 0.1220-0.0000 ( 4822 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2557 -25.2557 -25.2539 -25.2539 -17.5426 -17.5426 -17.5390 -17.5390 -17.5319 -17.5319 -17.5180 -17.5180 -1.9779 -1.9779 0.0419 0.0419 0.2650 0.2650 6.1753 6.1753 6.3924 6.3924 6.7420 6.7420 8.2306 8.2306 8.5721 8.5721 9.0397 9.0397 9.0827 9.0827 9.3188 9.3188 10.0609 10.0609 10.6134 10.6134 11.3173 11.3173 11.8927 11.8927 12.2972 12.2972 12.6719 12.6719 12.8918 12.8918 k = 0.0000 0.1341-0.0000 ( 4822 PWs) bands (ev): -50.9400 -50.9400 -50.9399 -50.9399 -25.2559 -25.2559 -25.2542 -25.2542 -17.5441 -17.5441 -17.5404 -17.5404 -17.5315 -17.5315 -17.5180 -17.5180 -1.9497 -1.9497 0.0549 0.0549 0.2905 0.2905 6.0455 6.0455 6.3110 6.3110 6.7624 6.7624 8.2539 8.2539 8.5923 8.5923 8.9957 8.9957 9.0534 9.0534 9.3598 9.3598 10.0514 10.0514 10.5817 10.5817 11.3149 11.3149 11.9492 11.9492 12.3916 12.3916 12.6598 12.6598 12.8442 12.8442 k = 0.0000 0.1463-0.0000 ( 4824 PWs) bands (ev): -50.9400 -50.9400 -50.9399 -50.9399 -25.2561 -25.2561 -25.2544 -25.2544 -17.5457 -17.5457 -17.5420 -17.5420 -17.5311 -17.5311 -17.5179 -17.5179 -1.9189 -1.9189 0.0685 0.0685 0.3183 0.3183 5.9113 5.9113 6.2266 6.2266 6.7849 6.7849 8.2781 8.2781 8.6141 8.6141 8.9024 8.9024 9.0687 9.0687 9.4028 9.4028 10.0378 10.0378 10.5537 10.5537 11.3079 11.3079 12.0100 12.0100 12.4659 12.4659 12.6745 12.6745 12.8003 12.8003 k = 0.0000 0.1585-0.0000 ( 4828 PWs) bands (ev): -50.9400 -50.9400 -50.9399 -50.9399 -25.2564 -25.2564 -25.2547 -25.2547 -17.5474 -17.5474 -17.5437 -17.5437 -17.5306 -17.5306 -17.5179 -17.5179 -1.8857 -1.8857 0.0826 0.0826 0.3485 0.3485 5.7737 5.7737 6.1403 6.1403 6.8086 6.8086 8.3029 8.3029 8.6367 8.6367 8.8057 8.8057 9.0861 9.0861 9.4468 9.4468 10.0191 10.0191 10.5304 10.5304 11.2969 11.2969 12.0728 12.0728 12.5006 12.5006 12.7233 12.7233 12.7721 12.7721 k = 0.0000 0.1707-0.0000 ( 4828 PWs) bands (ev): -50.9399 -50.9399 -50.9398 -50.9398 -25.2567 -25.2567 -25.2550 -25.2550 -17.5492 -17.5492 -17.5455 -17.5455 -17.5302 -17.5302 -17.5178 -17.5178 -1.8500 -1.8500 0.0969 0.0969 0.3811 0.3811 5.6336 5.6336 6.0529 6.0529 6.8329 6.8329 8.3279 8.3279 8.6527 8.6527 8.7148 8.7148 9.1058 9.1058 9.4914 9.4914 9.9952 9.9952 10.5119 10.5119 11.2826 11.2826 12.1347 12.1347 12.5080 12.5080 12.7113 12.7113 12.8430 12.8430 k = 0.0000 0.1829-0.0000 ( 4828 PWs) bands (ev): -50.9399 -50.9399 -50.9398 -50.9398 -25.2570 -25.2570 -25.2553 -25.2553 -17.5511 -17.5511 -17.5473 -17.5473 -17.5297 -17.5297 -17.5176 -17.5176 -1.8119 -1.8119 0.1113 0.1113 0.4161 0.4161 5.4918 5.4918 5.9652 5.9652 6.8569 6.8569 8.3524 8.3524 8.5920 8.5920 8.7016 8.7016 9.1282 9.1282 9.5359 9.5359 9.9661 9.9661 10.4979 10.4979 11.2656 11.2656 12.1918 12.1918 12.5096 12.5096 12.6805 12.6805 12.9505 12.9505 k = 0.0000 0.1951-0.0000 ( 4824 PWs) bands (ev): -50.9398 -50.9398 -50.9397 -50.9397 -25.2572 -25.2572 -25.2556 -25.2556 -17.5530 -17.5530 -17.5493 -17.5493 -17.5291 -17.5291 -17.5175 -17.5175 -1.7714 -1.7714 0.1256 0.1256 0.4534 0.4534 5.3489 5.3489 5.8779 5.8779 6.8795 6.8795 8.3738 8.3738 8.4974 8.4974 8.7275 8.7275 9.1537 9.1537 9.5798 9.5798 9.9327 9.9327 10.4876 10.4876 11.2464 11.2464 12.2390 12.2390 12.5158 12.5158 12.6547 12.6547 13.0625 13.0625 k = 0.0000 0.2073-0.0000 ( 4832 PWs) bands (ev): -50.9398 -50.9398 -50.9397 -50.9397 -25.2575 -25.2575 -25.2560 -25.2560 -17.5551 -17.5551 -17.5513 -17.5513 -17.5286 -17.5286 -17.5174 -17.5174 -1.7287 -1.7287 0.1394 0.1394 0.4932 0.4932 5.2053 5.2053 5.7918 5.7918 6.8994 6.8994 8.3659 8.3659 8.4318 8.4318 8.7578 8.7578 9.1824 9.1824 9.6219 9.6219 9.8967 9.8967 10.4798 10.4798 11.2257 11.2257 12.2713 12.2713 12.5288 12.5288 12.6398 12.6398 13.1725 13.1725 k = 0.0000 0.2195-0.0000 ( 4832 PWs) bands (ev): -50.9397 -50.9397 -50.9397 -50.9397 -25.2578 -25.2578 -25.2563 -25.2563 -17.5571 -17.5571 -17.5533 -17.5533 -17.5280 -17.5280 -17.5172 -17.5172 -1.6837 -1.6837 0.1525 0.1525 0.5353 0.5353 5.0615 5.0615 5.7076 5.7076 6.9149 6.9149 8.2878 8.2878 8.4401 8.4401 8.7902 8.7902 9.2146 9.2146 9.6597 9.6597 9.8611 9.8611 10.4733 10.4733 11.2038 11.2038 12.2876 12.2876 12.5385 12.5385 12.6472 12.6472 13.2753 13.2753 k = 0.0000 0.2317-0.0000 ( 4836 PWs) bands (ev): -50.9397 -50.9397 -50.9396 -50.9396 -25.2582 -25.2582 -25.2566 -25.2566 -17.5592 -17.5592 -17.5555 -17.5555 -17.5275 -17.5275 -17.5170 -17.5170 -1.6366 -1.6366 0.1647 0.1647 0.5798 0.5798 4.9179 4.9179 5.6258 5.6258 6.9238 6.9238 8.2032 8.2032 8.4616 8.4616 8.8244 8.8244 9.2504 9.2504 9.6864 9.6864 9.8330 9.8330 10.4669 10.4669 11.1814 11.1814 12.2911 12.2911 12.5349 12.5349 12.6830 12.6830 13.3657 13.3657 k = 0.0000 0.2439-0.0000 ( 4836 PWs) bands (ev): -50.9396 -50.9396 -50.9396 -50.9396 -25.2584 -25.2584 -25.2570 -25.2570 -17.5613 -17.5613 -17.5577 -17.5577 -17.5268 -17.5268 -17.5168 -17.5168 -1.5874 -1.5874 0.1756 0.1756 0.6267 0.6267 4.7748 4.7748 5.5471 5.5471 6.9236 6.9236 8.1273 8.1273 8.4841 8.4841 8.8602 8.8602 9.2898 9.2898 9.6880 9.6880 9.8267 9.8267 10.4596 10.4596 11.1591 11.1591 12.2858 12.2858 12.5251 12.5251 12.7352 12.7352 13.4388 13.4388 k = 0.0000 0.2561-0.0000 ( 4836 PWs) bands (ev): -50.9396 -50.9396 -50.9395 -50.9395 -25.2587 -25.2587 -25.2573 -25.2573 -17.5633 -17.5633 -17.5598 -17.5598 -17.5262 -17.5262 -17.5166 -17.5166 -1.5363 -1.5363 0.1849 0.1849 0.6760 0.6760 4.6324 4.6324 5.4721 5.4721 6.9116 6.9116 8.0645 8.0645 8.5063 8.5063 8.8976 8.8976 9.3330 9.3330 9.6617 9.6617 9.8450 9.8450 10.4505 10.4505 11.1377 11.1377 12.2736 12.2736 12.5160 12.5160 12.7936 12.7936 13.4956 13.4956 k = 0.0000 0.2683-0.0000 ( 4828 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2590 -25.2590 -25.2576 -25.2576 -17.5654 -17.5654 -17.5619 -17.5619 -17.5256 -17.5256 -17.5164 -17.5164 -1.4832 -1.4832 0.1924 0.1924 0.7278 0.7278 4.4910 4.4910 5.4013 5.4013 6.8856 6.8856 8.0179 8.0179 8.5279 8.5279 8.9364 8.9364 9.3797 9.3797 9.6215 9.6215 9.8732 9.8732 10.4391 10.4391 11.1182 11.1182 12.2544 12.2544 12.5109 12.5109 12.8529 12.8529 13.5420 13.5420 k = 0.0000 0.2805-0.0000 ( 4832 PWs) bands (ev): -50.9395 -50.9395 -50.9394 -50.9394 -25.2593 -25.2593 -25.2580 -25.2580 -17.5674 -17.5674 -17.5641 -17.5641 -17.5250 -17.5250 -17.5163 -17.5163 -1.4283 -1.4283 0.1976 0.1976 0.7819 0.7819 4.3509 4.3509 5.3352 5.3352 6.8442 6.8442 7.9891 7.9891 8.5488 8.5488 8.9764 8.9764 9.4296 9.4296 9.5766 9.5766 9.9020 9.9020 10.4250 10.4250 11.1016 11.1016 12.2278 12.2278 12.5115 12.5115 12.9101 12.9101 13.5824 13.5824 k = 0.0000 0.2927-0.0000 ( 4830 PWs) bands (ev): -50.9394 -50.9394 -50.9394 -50.9394 -25.2595 -25.2595 -25.2583 -25.2583 -17.5694 -17.5694 -17.5662 -17.5662 -17.5244 -17.5244 -17.5161 -17.5161 -1.3717 -1.3717 0.2003 0.2003 0.8384 0.8384 4.2122 4.2122 5.2744 5.2744 6.7879 6.7879 7.9782 7.9782 8.5692 8.5692 9.0175 9.0175 9.4805 9.4805 9.5323 9.5323 9.9272 9.9272 10.4080 10.4080 11.0893 11.0893 12.1932 12.1932 12.5177 12.5177 12.9629 12.9629 13.6170 13.6170 k = 0.0000 0.3049-0.0000 ( 4830 PWs) bands (ev): -50.9394 -50.9394 -50.9393 -50.9393 -25.2598 -25.2598 -25.2586 -25.2586 -17.5713 -17.5713 -17.5683 -17.5683 -17.5238 -17.5238 -17.5160 -17.5160 -1.3135 -1.3135 0.2002 0.2002 0.8974 0.8974 4.0751 4.0751 5.2194 5.2194 6.7183 6.7183 7.9838 7.9838 8.5893 8.5893 9.0594 9.0594 9.4763 9.4763 9.5460 9.5460 9.9462 9.9462 10.3880 10.3880 11.0827 11.0827 12.1509 12.1509 12.5286 12.5286 13.0097 13.0097 13.6451 13.6451 k = 0.0000 0.3171-0.0000 ( 4822 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2600 -25.2600 -25.2589 -25.2589 -17.5732 -17.5732 -17.5703 -17.5703 -17.5232 -17.5232 -17.5158 -17.5158 -1.2539 -1.2539 0.1969 0.1969 0.9588 0.9588 3.9397 3.9397 5.1704 5.1704 6.6381 6.6381 8.0034 8.0034 8.6091 8.6091 9.1018 9.1018 9.4308 9.4308 9.6046 9.6046 9.9571 9.9571 10.3653 10.3653 11.0832 11.0832 12.1011 12.1011 12.5425 12.5425 13.0491 13.0491 13.6690 13.6690 k = 0.0000 0.3293-0.0000 ( 4818 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2602 -25.2602 -25.2592 -25.2592 -17.5750 -17.5750 -17.5723 -17.5723 -17.5225 -17.5225 -17.5157 -17.5157 -1.1929 -1.1929 0.1903 0.1903 1.0226 1.0226 3.8062 3.8062 5.1280 5.1280 6.5498 6.5498 8.0346 8.0346 8.6291 8.6291 9.1439 9.1439 9.3850 9.3850 9.6679 9.6679 9.9586 9.9586 10.3399 10.3399 11.0920 11.0920 12.0444 12.0444 12.5571 12.5571 13.0809 13.0809 13.6938 13.6938 k = 0.0000 0.3415-0.0000 ( 4818 PWs) bands (ev): -50.9393 -50.9393 -50.9392 -50.9392 -25.2605 -25.2605 -25.2595 -25.2595 -17.5767 -17.5767 -17.5742 -17.5742 -17.5220 -17.5220 -17.5155 -17.5155 -1.1308 -1.1308 0.1801 0.1801 1.0888 1.0888 3.6747 3.6747 5.0925 5.0925 6.4560 6.4560 8.0749 8.0749 8.6495 8.6495 9.1839 9.1839 9.3421 9.3421 9.7342 9.7342 9.9498 9.9498 10.3123 10.3123 11.1097 11.1097 11.9816 11.9816 12.5697 12.5697 13.1058 13.1058 13.7226 13.7226 k = 0.0000 0.3537-0.0000 ( 4816 PWs) bands (ev): -50.9392 -50.9392 -50.9392 -50.9392 -25.2607 -25.2607 -25.2598 -25.2598 -17.5783 -17.5783 -17.5760 -17.5760 -17.5214 -17.5214 -17.5155 -17.5155 -1.0676 -1.0676 0.1660 0.1660 1.1575 1.1575 3.5452 3.5452 5.0642 5.0642 6.3587 6.3587 8.1225 8.1225 8.6705 8.6705 9.2144 9.2144 9.3098 9.3098 9.8031 9.8031 9.9304 9.9304 10.2829 10.2829 11.1366 11.1366 11.9134 11.9134 12.5774 12.5774 13.1255 13.1255 13.7527 13.7527 k = 0.0000 0.3659-0.0000 ( 4816 PWs) bands (ev): -50.9392 -50.9392 -50.9391 -50.9391 -25.2609 -25.2609 -25.2601 -25.2601 -17.5798 -17.5798 -17.5777 -17.5777 -17.5209 -17.5209 -17.5154 -17.5154 -1.0035 -1.0035 0.1480 0.1480 1.2286 1.2286 3.4179 3.4179 5.0432 5.0432 6.2597 6.2597 8.1755 8.1755 8.6927 8.6927 9.2115 9.2115 9.3118 9.3118 9.8741 9.8741 9.9010 9.9010 10.2522 10.2522 11.1720 11.1720 11.8406 11.8406 12.5772 12.5772 13.1425 13.1425 13.7551 13.7551 k = 0.0000 0.3780-0.0000 ( 4812 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2611 -25.2611 -25.2603 -25.2603 -17.5813 -17.5813 -17.5793 -17.5793 -17.5203 -17.5203 -17.5153 -17.5153 -0.9387 -0.9387 0.1260 0.1260 1.3022 1.3022 3.2929 3.2929 5.0299 5.0299 6.1602 6.1602 8.2325 8.2325 8.7163 8.7163 9.1791 9.1791 9.3442 9.3442 9.8625 9.8625 9.9461 9.9461 10.2215 10.2215 11.2149 11.2149 11.7644 11.7644 12.5667 12.5667 13.1595 13.1595 13.7325 13.7325 k = 0.0000 0.3902-0.0000 ( 4806 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2612 -25.2612 -25.2606 -25.2606 -17.5825 -17.5825 -17.5808 -17.5808 -17.5198 -17.5198 -17.5153 -17.5153 -0.8734 -0.8734 0.0999 0.0999 1.3783 1.3783 3.1701 3.1701 5.0243 5.0243 6.0613 6.0613 8.2924 8.2924 8.7420 8.7420 9.1395 9.1395 9.3841 9.3841 9.8164 9.8164 10.0157 10.0157 10.1941 10.1941 11.2632 11.2632 11.6865 11.6865 12.5443 12.5443 13.1789 13.1789 13.7138 13.7138 k = 0.0000 0.4024-0.0000 ( 4802 PWs) bands (ev): -50.9391 -50.9391 -50.9390 -50.9390 -25.2613 -25.2613 -25.2608 -25.2608 -17.5837 -17.5837 -17.5821 -17.5821 -17.5193 -17.5193 -17.5153 -17.5153 -0.8078 -0.8078 0.0697 0.0697 1.4567 1.4567 3.0497 3.0497 5.0264 5.0264 5.9638 5.9638 8.3537 8.3537 8.7702 8.7702 9.0989 9.0989 9.4248 9.4248 9.7647 9.7647 10.0680 10.0680 10.1851 10.1851 11.3125 11.3125 11.6109 11.6109 12.5094 12.5094 13.2022 13.2022 13.7016 13.7016 k = 0.0000 0.4146-0.0000 ( 4806 PWs) bands (ev): -50.9391 -50.9391 -50.9390 -50.9390 -25.2614 -25.2614 -25.2610 -25.2610 -17.5847 -17.5847 -17.5834 -17.5834 -17.5188 -17.5188 -17.5153 -17.5153 -0.7422 -0.7422 0.0354 0.0354 1.5377 1.5377 2.9316 2.9316 5.0362 5.0362 5.8686 5.8686 8.4154 8.4154 8.8015 8.8015 9.0588 9.0588 9.4628 9.4628 9.7105 9.7105 10.0713 10.0713 10.2262 10.2262 11.3496 11.3496 11.5502 11.5502 12.4631 12.4631 13.2303 13.2303 13.6940 13.6940 k = 0.0000 0.4268-0.0000 ( 4814 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2616 -25.2616 -25.2613 -25.2613 -17.5857 -17.5857 -17.5846 -17.5846 -17.5184 -17.5184 -17.5154 -17.5154 -0.6766 -0.6766 -0.0027 -0.0027 1.6211 1.6211 2.8160 2.8160 5.0537 5.0537 5.7763 5.7763 8.4761 8.4761 8.8364 8.8364 9.0200 9.0200 9.4913 9.4913 9.6614 9.6614 10.0440 10.0440 10.2988 10.2988 11.3393 11.3393 11.5395 11.5395 12.4069 12.4069 13.2634 13.2634 13.6877 13.6877 k = 0.0000 0.4390-0.0000 ( 4818 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2617 -25.2617 -25.2614 -25.2614 -17.5865 -17.5865 -17.5855 -17.5855 -17.5180 -17.5180 -17.5155 -17.5155 -0.6115 -0.6115 -0.0445 -0.0445 1.7070 1.7070 2.7027 2.7027 5.0788 5.0788 5.6873 5.6873 8.5346 8.5346 8.8738 8.8738 8.9844 8.9844 9.4911 9.4911 9.6373 9.6373 10.0086 10.0086 10.3808 10.3808 11.2765 11.2765 11.5835 11.5835 12.3427 12.3427 13.3013 13.3013 13.6790 13.6790 k = 0.0000 0.4512-0.0000 ( 4810 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2615 -25.2615 -17.5871 -17.5871 -17.5863 -17.5863 -17.5176 -17.5176 -17.5155 -17.5155 -0.5471 -0.5471 -0.0899 -0.0899 1.7954 1.7954 2.5920 2.5920 5.1112 5.1112 5.6022 5.6022 8.5899 8.5899 8.9015 8.9015 8.9649 8.9649 9.4497 9.4497 9.6518 9.6518 9.9702 9.9702 10.4667 10.4667 11.1939 11.1939 11.6490 11.6490 12.2725 12.2725 13.3433 13.3433 13.6648 13.6648 k = 0.0000 0.4634-0.0000 ( 4816 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2617 -25.2617 -17.5876 -17.5876 -17.5870 -17.5870 -17.5172 -17.5172 -17.5157 -17.5157 -0.4835 -0.4835 -0.1386 -0.1386 1.8863 1.8863 2.4837 2.4837 5.1508 5.1508 5.5215 5.5215 8.6414 8.6414 8.8860 8.8860 8.9951 8.9951 9.3878 9.3878 9.6850 9.6850 9.9304 9.9304 10.5550 10.5550 11.1050 11.1050 11.7225 11.7225 12.1978 12.1978 13.3886 13.3886 13.6429 13.6429 k = 0.0000 0.4756-0.0000 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2617 -25.2617 -17.5878 -17.5878 -17.5874 -17.5874 -17.5169 -17.5169 -17.5159 -17.5159 -0.4212 -0.4212 -0.1902 -0.1902 1.9796 1.9796 2.3779 2.3779 5.1972 5.1972 5.4455 5.4455 8.6891 8.6891 8.8520 8.8520 9.0497 9.0497 9.3193 9.3193 9.7240 9.7240 9.8896 9.8896 10.6451 10.6451 11.0136 11.0136 11.7999 11.7999 12.1200 12.1200 13.4361 13.4361 13.6125 13.6125 k = 0.0000 0.4878-0.0000 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2618 -25.2618 -17.5880 -17.5880 -17.5878 -17.5878 -17.5166 -17.5166 -17.5161 -17.5161 -0.3604 -0.3604 -0.2446 -0.2446 2.0754 2.0754 2.2746 2.2746 5.2503 5.2503 5.3748 5.3748 8.7334 8.7334 8.8144 8.8144 9.1122 9.1122 9.2490 9.2490 9.7650 9.7650 9.8482 9.8482 10.7364 10.7364 10.9212 10.9212 11.8794 11.8794 12.0404 12.0404 13.4842 13.4842 13.5747 13.5747 k = 0.0000 0.5000-0.0000 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3015 -0.3015 -0.3015 -0.3015 2.1738 2.1738 2.1738 2.1738 5.3096 5.3096 5.3096 5.3096 8.7749 8.7749 8.7749 8.7749 9.1793 9.1793 9.1793 9.1793 9.8066 9.8066 9.8066 9.8066 10.8286 10.8286 10.8286 10.8286 11.9599 11.9599 11.9599 11.9599 13.5312 13.5312 13.5312 13.5312 k = 0.0000 0.5000-0.0000 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3015 -0.3015 -0.3015 -0.3015 2.1738 2.1738 2.1738 2.1738 5.3096 5.3096 5.3096 5.3096 8.7749 8.7749 8.7749 8.7749 9.1793 9.1793 9.1793 9.1793 9.8066 9.8066 9.8066 9.8066 10.8286 10.8286 10.8286 10.8286 11.9599 11.9599 11.9599 11.9599 13.5312 13.5312 13.5312 13.5312 k = 0.0122 0.5000-0.0000 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5879 -17.5879 -17.5164 -17.5164 -17.5164 -17.5164 -0.3009 -0.3009 -0.3008 -0.3008 2.1736 2.1736 2.1764 2.1764 5.3102 5.3102 5.3109 5.3109 8.7702 8.7702 8.7724 8.7724 9.1747 9.1747 9.1811 9.1811 9.8029 9.8029 9.8073 9.8073 10.7845 10.7845 10.8336 10.8336 11.9560 11.9560 12.0014 12.0014 13.5212 13.5212 13.5425 13.5425 k = 0.0244 0.5000-0.0000 ( 4808 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5879 -17.5879 -17.5165 -17.5165 -17.5165 -17.5165 -0.2991 -0.2991 -0.2989 -0.2989 2.1760 2.1760 2.1816 2.1816 5.3129 5.3129 5.3142 5.3142 8.7587 8.7587 8.7621 8.7621 9.1677 9.1677 9.1797 9.1797 9.7959 9.7959 9.8050 9.8050 10.7087 10.7087 10.7992 10.7992 11.9903 11.9903 12.0732 12.0732 13.5129 13.5129 13.5547 13.5547 k = 0.0366 0.5000-0.0000 ( 4800 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5879 -17.5879 -17.5167 -17.5167 -17.5167 -17.5167 -0.2962 -0.2962 -0.2958 -0.2958 2.1809 2.1809 2.1893 2.1893 5.3177 5.3177 5.3195 5.3195 8.7405 8.7405 8.7436 8.7436 9.1592 9.1592 9.1750 9.1750 9.7853 9.7853 9.7997 9.7997 10.6105 10.6105 10.7326 10.7326 12.0559 12.0559 12.1660 12.1660 13.5064 13.5064 13.5670 13.5670 k = 0.0488 0.5000-0.0000 ( 4800 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2620 -25.2620 -25.2619 -25.2619 -17.5881 -17.5881 -17.5880 -17.5880 -17.5170 -17.5170 -17.5170 -17.5170 -0.2920 -0.2920 -0.2916 -0.2916 2.1883 2.1883 2.1994 2.1994 5.3244 5.3244 5.3267 5.3267 8.7158 8.7158 8.7165 8.7165 9.1500 9.1500 9.1672 9.1672 9.7705 9.7705 9.7909 9.7909 10.4981 10.4981 10.6439 10.6439 12.1432 12.1432 12.2721 12.2721 13.5018 13.5018 13.5787 13.5787 k = 0.0610 0.5000-0.0000 ( 4800 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2621 -25.2621 -25.2620 -25.2620 -17.5882 -17.5882 -17.5881 -17.5881 -17.5175 -17.5175 -17.5174 -17.5174 -0.2866 -0.2866 -0.2861 -0.2861 2.1982 2.1982 2.2121 2.2121 5.3331 5.3331 5.3357 5.3357 8.6807 8.6807 8.6849 8.6849 9.1405 9.1405 9.1567 9.1567 9.7505 9.7505 9.7780 9.7780 10.3777 10.3777 10.5420 10.5420 12.2441 12.2441 12.3859 12.3859 13.4988 13.4988 13.5891 13.5891 k = 0.0732 0.5000-0.0000 ( 4812 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2622 -25.2622 -25.2622 -25.2622 -17.5884 -17.5884 -17.5882 -17.5882 -17.5180 -17.5180 -17.5179 -17.5179 -0.2801 -0.2801 -0.2795 -0.2795 2.2106 2.2106 2.2272 2.2272 5.3438 5.3438 5.3464 5.3464 8.6366 8.6366 8.6478 8.6478 9.1310 9.1310 9.1438 9.1438 9.7241 9.7241 9.7594 9.7594 10.2546 10.2546 10.4341 10.4341 12.3526 12.3526 12.5036 12.5036 13.4973 13.4973 13.5973 13.5973 k = 0.0854 0.5000-0.0000 ( 4810 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2624 -25.2624 -25.2623 -25.2623 -17.5885 -17.5885 -17.5883 -17.5883 -17.5186 -17.5186 -17.5184 -17.5184 -0.2724 -0.2724 -0.2717 -0.2717 2.2254 2.2254 2.2447 2.2447 5.3563 5.3563 5.3588 5.3588 8.5848 8.5848 8.6048 8.6048 9.1213 9.1213 9.1286 9.1286 9.6896 9.6896 9.7323 9.7323 10.1344 10.1344 10.3261 10.3261 12.4647 12.4647 12.6226 12.6226 13.4970 13.4970 13.6030 13.6030 k = 0.0976 0.5000-0.0000 ( 4830 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2626 -25.2626 -25.2626 -25.2626 -17.5887 -17.5887 -17.5885 -17.5885 -17.5193 -17.5193 -17.5191 -17.5191 -0.2637 -0.2637 -0.2628 -0.2628 2.2427 2.2427 2.2645 2.2645 5.3706 5.3706 5.3727 5.3727 8.5261 8.5261 8.5564 8.5564 9.1106 9.1106 9.1111 9.1111 9.6448 9.6448 9.6914 9.6914 10.0249 10.0249 10.2230 10.2230 12.5775 12.5775 12.7410 12.7410 13.4977 13.4977 13.6059 13.6059 k = 0.1098 0.5000-0.0000 ( 4836 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2628 -25.2628 -25.2628 -25.2628 -17.5889 -17.5889 -17.5887 -17.5887 -17.5200 -17.5200 -17.5198 -17.5198 -0.2538 -0.2538 -0.2529 -0.2529 2.2624 2.2624 2.2868 2.2868 5.3866 5.3866 5.3880 5.3880 8.4615 8.4615 8.5030 8.5030 9.0909 9.0909 9.0977 9.0977 9.5877 9.5877 9.6292 9.6292 9.9357 9.9357 10.1296 10.1296 12.6890 12.6890 12.8573 12.8573 13.4994 13.4994 13.6059 13.6059 k = 0.1220 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2630 -25.2630 -25.2630 -25.2630 -17.5892 -17.5892 -17.5889 -17.5889 -17.5207 -17.5207 -17.5205 -17.5205 -0.2430 -0.2430 -0.2419 -0.2419 2.2845 2.2845 2.3114 2.3114 5.4042 5.4042 5.4045 5.4045 8.3921 8.3921 8.4454 8.4454 9.0670 9.0670 9.0806 9.0806 9.5175 9.5175 9.5436 9.5436 9.8718 9.8718 10.0488 10.0488 12.7975 12.7975 12.9702 12.9702 13.5022 13.5022 13.6034 13.6034 k = 0.1341 0.5000-0.0000 ( 4840 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2632 -25.2632 -25.2632 -25.2632 -17.5895 -17.5895 -17.5892 -17.5892 -17.5215 -17.5215 -17.5213 -17.5213 -0.2311 -0.2311 -0.2300 -0.2300 2.3090 2.3090 2.3382 2.3382 5.4220 5.4220 5.4232 5.4232 8.3189 8.3189 8.3841 8.3841 9.0377 9.0377 9.0555 9.0555 9.4362 9.4362 9.4439 9.4439 9.8280 9.8280 9.9817 9.9817 12.9015 12.9015 13.0788 13.0788 13.5064 13.5064 13.5990 13.5990 k = 0.1463 0.5000-0.0000 ( 4836 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2634 -25.2634 -25.2634 -25.2634 -17.5897 -17.5897 -17.5894 -17.5894 -17.5223 -17.5223 -17.5221 -17.5221 -0.2183 -0.2183 -0.2171 -0.2171 2.3357 2.3357 2.3672 2.3672 5.4404 5.4404 5.4435 5.4435 8.2428 8.2428 8.3199 8.3199 8.9999 8.9999 9.0157 9.0157 9.3456 9.3456 9.3491 9.3491 9.7960 9.7960 9.9268 9.9268 12.9996 12.9996 13.1819 13.1819 13.5126 13.5126 13.5935 13.5935 k = 0.1585 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2636 -25.2636 -25.2636 -25.2636 -17.5901 -17.5901 -17.5897 -17.5897 -17.5231 -17.5231 -17.5229 -17.5229 -0.2046 -0.2046 -0.2033 -0.2033 2.3647 2.3647 2.3985 2.3985 5.4595 5.4595 5.4648 5.4648 8.1648 8.1648 8.2535 8.2535 8.9491 8.9491 8.9521 8.9521 9.2635 9.2635 9.2641 9.2641 9.7706 9.7706 9.8816 9.8816 13.0901 13.0901 13.2782 13.2782 13.5222 13.5222 13.5883 13.5883 k = 0.1707 0.5000-0.0000 ( 4828 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2639 -25.2639 -25.2638 -25.2638 -17.5905 -17.5905 -17.5901 -17.5901 -17.5239 -17.5239 -17.5237 -17.5237 -0.1901 -0.1901 -0.1887 -0.1887 2.3959 2.3959 2.4318 2.4318 5.4789 5.4789 5.4871 5.4871 8.0857 8.0857 8.1855 8.1855 8.8607 8.8607 8.8804 8.8804 9.1892 9.1892 9.2045 9.2045 9.7490 9.7490 9.8436 9.8436 13.1710 13.1710 13.3655 13.3655 13.5366 13.5366 13.5858 13.5858 k = 0.1829 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2641 -25.2641 -25.2641 -25.2641 -17.5909 -17.5909 -17.5906 -17.5906 -17.5247 -17.5247 -17.5245 -17.5245 -0.1749 -0.1749 -0.1734 -0.1734 2.4292 2.4292 2.4671 2.4671 5.4985 5.4985 5.5100 5.5100 8.0063 8.0063 8.1164 8.1164 8.7485 8.7485 8.7928 8.7928 9.1279 9.1279 9.1632 9.1632 9.7301 9.7301 9.8109 9.8109 13.2403 13.2403 13.4387 13.4387 13.5581 13.5581 13.5914 13.5914 k = 0.1951 0.5000-0.0000 ( 4828 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2644 -25.2644 -25.2643 -25.2643 -17.5914 -17.5914 -17.5911 -17.5911 -17.5255 -17.5255 -17.5253 -17.5253 -0.1589 -0.1589 -0.1574 -0.1574 2.4645 2.4645 2.5043 2.5043 5.5180 5.5180 5.5333 5.5333 7.9273 7.9273 8.0469 8.0469 8.6249 8.6249 8.6908 8.6908 9.0779 9.0779 9.1313 9.1313 9.7134 9.7134 9.7822 9.7822 13.2960 13.2960 13.4866 13.4866 13.5885 13.5885 13.6166 13.6166 k = 0.2073 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2647 -25.2647 -25.2646 -25.2646 -17.5920 -17.5920 -17.5916 -17.5916 -17.5263 -17.5263 -17.5261 -17.5261 -0.1424 -0.1424 -0.1407 -0.1407 2.5019 2.5019 2.5435 2.5435 5.5370 5.5370 5.5567 5.5567 7.8493 7.8493 7.9770 7.9770 8.4960 8.4960 8.5805 8.5805 9.0344 9.0344 9.1030 9.1030 9.6986 9.6986 9.7569 9.7569 13.3386 13.3386 13.5062 13.5062 13.6277 13.6277 13.6651 13.6651 k = 0.2195 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2649 -25.2649 -25.2649 -25.2649 -17.5926 -17.5926 -17.5922 -17.5922 -17.5271 -17.5271 -17.5269 -17.5269 -0.1252 -0.1252 -0.1236 -0.1236 2.5411 2.5411 2.5843 2.5843 5.5553 5.5553 5.5798 5.5798 7.7730 7.7730 7.9068 7.9068 8.3656 8.3656 8.4671 8.4671 8.9940 8.9940 9.0754 9.0754 9.6855 9.6855 9.7342 9.7342 13.3706 13.3706 13.5120 13.5120 13.6734 13.6734 13.7227 13.7227 k = 0.2317 0.5000-0.0000 ( 4826 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2652 -25.2652 -25.2651 -25.2651 -17.5932 -17.5932 -17.5929 -17.5929 -17.5278 -17.5278 -17.5276 -17.5276 -0.1077 -0.1077 -0.1059 -0.1059 2.5821 2.5821 2.6268 2.6268 5.5727 5.5727 5.6023 5.6023 7.6988 7.6988 7.8361 7.8361 8.2356 8.2356 8.3544 8.3544 8.9543 8.9543 9.0471 9.0471 9.6741 9.6741 9.7140 9.7140 13.3960 13.3960 13.5143 13.5143 13.7221 13.7221 13.7800 13.7800 k = 0.2439 0.5000-0.0000 ( 4822 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2654 -25.2654 -25.2654 -25.2654 -17.5939 -17.5939 -17.5936 -17.5936 -17.5285 -17.5285 -17.5283 -17.5283 -0.0898 -0.0898 -0.0880 -0.0880 2.6248 2.6248 2.6708 2.6708 5.5886 5.5886 5.6237 5.6237 7.6269 7.6269 7.7641 7.7641 8.1076 8.1076 8.2456 8.2456 8.9143 8.9143 9.0174 9.0174 9.6641 9.6641 9.6958 9.6958 13.4182 13.4182 13.5170 13.5170 13.7710 13.7710 13.8337 13.8337 k = 0.2561 0.5000-0.0000 ( 4826 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2657 -25.2657 -25.2657 -25.2657 -17.5947 -17.5947 -17.5944 -17.5944 -17.5291 -17.5291 -17.5290 -17.5290 -0.0716 -0.0716 -0.0698 -0.0698 2.6690 2.6690 2.7162 2.7162 5.6030 5.6030 5.6438 5.6438 7.5574 7.5574 7.6899 7.6899 7.9832 7.9832 8.1434 8.1434 8.8732 8.8732 8.9858 8.9858 9.6555 9.6555 9.6796 9.6796 13.4394 13.4394 13.5214 13.5214 13.8182 13.8182 13.8832 13.8832 k = 0.2683 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2660 -25.2660 -25.2659 -25.2659 -17.5955 -17.5955 -17.5952 -17.5952 -17.5297 -17.5297 -17.5295 -17.5295 -0.0533 -0.0533 -0.0514 -0.0514 2.7146 2.7146 2.7627 2.7627 5.6155 5.6155 5.6620 5.6620 7.4897 7.4897 7.6119 7.6119 7.8641 7.8641 8.0507 8.0507 8.8308 8.8308 8.9524 8.9524 9.6481 9.6481 9.6651 9.6651 13.4613 13.4613 13.5283 13.5283 13.8626 13.8626 13.9283 13.9283 k = 0.2805 0.5000-0.0000 ( 4824 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2663 -25.2663 -25.2662 -25.2662 -17.5964 -17.5964 -17.5960 -17.5960 -17.5302 -17.5302 -17.5301 -17.5301 -0.0349 -0.0349 -0.0330 -0.0330 2.7615 2.7615 2.8103 2.8103 5.6260 5.6260 5.6780 5.6780 7.4227 7.4227 7.5290 7.5290 7.7527 7.7527 7.9697 7.9697 8.7869 8.7869 8.9172 8.9172 9.6416 9.6416 9.6521 9.6521 13.4848 13.4848 13.5381 13.5381 13.9037 13.9037 13.9692 13.9692 k = 0.2927 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2665 -25.2665 -25.2665 -25.2665 -17.5972 -17.5972 -17.5969 -17.5969 -17.5307 -17.5307 -17.5305 -17.5305 -0.0165 -0.0165 -0.0146 -0.0146 2.8094 2.8094 2.8587 2.8587 5.6342 5.6342 5.6913 5.6913 7.3538 7.3538 7.4409 7.4409 7.6524 7.6524 7.9017 7.9017 8.7417 8.7417 8.8803 8.8803 9.6359 9.6359 9.6406 9.6406 13.5104 13.5104 13.5510 13.5510 13.9416 13.9416 14.0064 14.0064 k = 0.3049 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2668 -25.2668 -25.2667 -25.2667 -17.5981 -17.5981 -17.5978 -17.5978 -17.5311 -17.5311 -17.5310 -17.5310 0.0017 0.0017 0.0035 0.0035 2.8581 2.8581 2.9077 2.9077 5.6401 5.6401 5.7016 5.7016 7.2798 7.2798 7.3480 7.3480 7.5673 7.5673 7.8467 7.8467 8.6951 8.6951 8.8418 8.8418 9.6302 9.6302 9.6308 9.6308 13.5385 13.5385 13.5670 13.5670 13.9763 13.9763 14.0403 14.0403 k = 0.3171 0.5000-0.0000 ( 4826 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2671 -25.2671 -25.2670 -25.2670 -17.5990 -17.5990 -17.5987 -17.5987 -17.5315 -17.5315 -17.5314 -17.5314 0.0196 0.0196 0.0214 0.0214 2.9074 2.9074 2.9571 2.9571 5.6436 5.6436 5.7087 5.7087 7.1984 7.1984 7.2519 7.2519 7.5005 7.5005 7.8037 7.8037 8.6475 8.6475 8.8020 8.8020 9.6210 9.6210 9.6262 9.6262 13.5691 13.5691 13.5860 13.5860 14.0081 14.0081 14.0715 14.0715 k = 0.3293 0.5000-0.0000 ( 4826 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2674 -25.2674 -25.2673 -25.2673 -17.5999 -17.5999 -17.5997 -17.5997 -17.5319 -17.5319 -17.5318 -17.5318 0.0371 0.0371 0.0389 0.0389 2.9571 2.9571 3.0064 3.0064 5.6450 5.6450 5.7125 5.7125 7.1103 7.1103 7.1543 7.1543 7.4520 7.4520 7.7715 7.7715 8.5991 8.5991 8.7611 8.7611 9.6129 9.6129 9.6219 9.6219 13.6021 13.6021 13.6077 13.6077 14.0374 14.0374 14.1003 14.1003 k = 0.3415 0.5000-0.0000 ( 4828 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2676 -25.2676 -25.2676 -25.2676 -17.6008 -17.6008 -17.6006 -17.6006 -17.5322 -17.5322 -17.5321 -17.5321 0.0540 0.0540 0.0558 0.0558 3.0068 3.0068 3.0555 3.0555 5.6443 5.6443 5.7130 5.7130 7.0182 7.0182 7.0569 7.0569 7.4195 7.4195 7.7485 7.7485 8.5501 8.5501 8.7192 8.7192 9.6056 9.6056 9.6177 9.6177 13.6319 13.6319 13.6369 13.6369 14.0649 14.0649 14.1274 14.1274 k = 0.3537 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2679 -25.2679 -25.2678 -25.2678 -17.6017 -17.6017 -17.6015 -17.6015 -17.5324 -17.5324 -17.5323 -17.5323 0.0704 0.0704 0.0721 0.0721 3.0562 3.0562 3.1039 3.1039 5.6418 5.6418 5.7105 5.7105 6.9253 6.9253 6.9610 6.9610 7.4001 7.4001 7.7336 7.7336 8.5010 8.5010 8.6765 8.6765 9.5992 9.5992 9.6138 9.6138 13.6580 13.6580 13.6732 13.6732 14.0912 14.0912 14.1533 14.1533 k = 0.3659 0.5000-0.0000 ( 4840 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2681 -25.2681 -25.2681 -25.2681 -17.6026 -17.6026 -17.6024 -17.6024 -17.5327 -17.5327 -17.5326 -17.5326 0.0860 0.0860 0.0876 0.0876 3.1049 3.1049 3.1512 3.1512 5.6378 5.6378 5.7051 5.7051 6.8340 6.8340 6.8679 6.8679 7.3916 7.3916 7.7254 7.7254 8.4520 8.4520 8.6333 8.6333 9.5935 9.5935 9.6098 9.6098 13.6855 13.6855 13.7099 13.7099 14.1170 14.1170 14.1782 14.1782 k = 0.3780 0.5000-0.0000 ( 4848 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2684 -25.2684 -25.2683 -25.2683 -17.6035 -17.6035 -17.6033 -17.6033 -17.5329 -17.5329 -17.5328 -17.5328 0.1007 0.1007 0.1023 0.1023 3.1525 3.1525 3.1970 3.1970 5.6327 5.6327 5.6973 5.6973 6.7462 6.7462 6.7785 6.7785 7.3922 7.3922 7.7227 7.7227 8.4039 8.4039 8.5898 8.5898 9.5886 9.5886 9.6060 9.6060 13.7137 13.7137 13.7461 13.7461 14.1432 14.1432 14.2027 14.2027 k = 0.3902 0.5000-0.0000 ( 4848 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2685 -25.2685 -25.2685 -25.2685 -17.6042 -17.6042 -17.6041 -17.6041 -17.5330 -17.5330 -17.5329 -17.5329 0.1145 0.1145 0.1159 0.1159 3.1985 3.1985 3.2407 3.2407 5.6270 5.6270 5.6878 5.6878 6.6632 6.6632 6.6939 6.6939 7.4007 7.4007 7.7244 7.7244 8.3571 8.3571 8.5462 8.5462 9.5844 9.5844 9.6021 9.6021 13.7419 13.7419 13.7805 13.7805 14.1704 14.1704 14.2269 14.2269 k = 0.4024 0.5000-0.0000 ( 4848 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2687 -25.2687 -25.2687 -25.2687 -17.6050 -17.6050 -17.6048 -17.6048 -17.5331 -17.5331 -17.5330 -17.5330 0.1271 0.1271 0.1284 0.1284 3.2424 3.2424 3.2818 3.2818 5.6210 5.6210 5.6770 5.6770 6.5859 6.5859 6.6148 6.6148 7.4158 7.4158 7.7290 7.7290 8.3126 8.3126 8.5027 8.5027 9.5809 9.5809 9.5983 9.5983 13.7694 13.7694 13.8120 13.8120 14.1992 14.1992 14.2509 14.2509 k = 0.4146 0.5000-0.0000 ( 4848 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2689 -25.2689 -25.2688 -25.2688 -17.6056 -17.6056 -17.6055 -17.6055 -17.5332 -17.5332 -17.5331 -17.5331 0.1385 0.1385 0.1397 0.1397 3.2835 3.2835 3.3196 3.3196 5.6151 5.6151 5.6655 5.6655 6.5155 6.5155 6.5421 6.5421 7.4367 7.4367 7.7349 7.7349 8.2715 8.2715 8.4595 8.4595 9.5780 9.5780 9.5946 9.5946 13.7954 13.7954 13.8395 13.8395 14.2296 14.2296 14.2746 14.2746 k = 0.4268 0.5000-0.0000 ( 4844 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2690 -25.2690 -25.2690 -25.2690 -17.6062 -17.6062 -17.6061 -17.6061 -17.5332 -17.5332 -17.5332 -17.5332 0.1487 0.1487 0.1497 0.1497 3.3215 3.3215 3.3537 3.3537 5.6098 5.6098 5.6539 5.6539 6.4526 6.4526 6.4766 6.4766 7.4623 7.4623 7.7403 7.7403 8.2353 8.2353 8.4171 8.4171 9.5758 9.5758 9.5911 9.5911 13.8194 13.8194 13.8623 13.8623 14.2610 14.2610 14.2976 14.2976 k = 0.4390 0.5000-0.0000 ( 4840 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2691 -25.2691 -25.2690 -25.2690 -17.6067 -17.6067 -17.6066 -17.6066 -17.5332 -17.5332 -17.5332 -17.5332 0.1574 0.1574 0.1583 0.1583 3.3555 3.3555 3.3834 3.3834 5.6053 5.6053 5.6426 5.6426 6.3982 6.3982 6.4190 6.4190 7.4917 7.4917 7.7428 7.7428 8.2059 8.2059 8.3757 8.3757 9.5742 9.5742 9.5877 9.5877 13.8408 13.8408 13.8800 13.8800 14.2918 14.2918 14.3193 14.3193 k = 0.4512 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2691 -25.2691 -25.2691 -25.2691 -17.6070 -17.6070 -17.6070 -17.6070 -17.5333 -17.5333 -17.5333 -17.5333 0.1647 0.1647 0.1655 0.1655 3.3850 3.3850 3.4080 3.4080 5.6020 5.6020 5.6322 5.6322 6.3529 6.3529 6.3701 6.3701 7.5240 7.5240 7.7403 7.7403 8.1853 8.1853 8.3358 8.3358 9.5732 9.5732 9.5845 9.5845 13.8594 13.8594 13.8929 13.8929 14.3202 14.3202 14.3389 14.3389 k = 0.4634 0.5000-0.0000 ( 4832 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2692 -25.2692 -25.2692 -25.2692 -17.6074 -17.6074 -17.6073 -17.6073 -17.5333 -17.5333 -17.5333 -17.5333 0.1705 0.1705 0.1710 0.1710 3.4094 3.4094 3.4271 3.4271 5.6001 5.6001 5.6229 5.6229 6.3174 6.3174 6.3307 6.3307 7.5582 7.5582 7.7309 7.7309 8.1751 8.1751 8.2980 8.2980 9.5728 9.5728 9.5816 9.5816 13.8750 13.8750 13.9012 13.9012 14.3441 14.3441 14.3554 14.3554 k = 0.4756 0.5000-0.0000 ( 4836 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2693 -25.2693 -25.2693 -25.2693 -17.6076 -17.6076 -17.6076 -17.6076 -17.5333 -17.5333 -17.5333 -17.5333 0.1747 0.1747 0.1750 0.1750 3.4281 3.4281 3.4402 3.4402 5.5997 5.5997 5.6150 5.6150 6.2923 6.2923 6.3014 6.3014 7.5933 7.5933 7.7140 7.7140 8.1757 8.1757 8.2630 8.2630 9.5730 9.5730 9.5790 9.5790 13.8874 13.8874 13.9054 13.9054 14.3620 14.3620 14.3679 14.3679 k = 0.4878 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2692 -25.2692 -25.2692 -25.2692 -17.6077 -17.6077 -17.6077 -17.6077 -17.5332 -17.5332 -17.5332 -17.5332 0.1772 0.1772 0.1774 0.1774 3.4408 3.4408 3.4469 3.4469 5.6010 5.6010 5.6086 5.6086 6.2780 6.2780 6.2826 6.2826 7.6279 7.6279 7.6901 7.6901 8.1865 8.1865 8.2319 8.2319 9.5738 9.5738 9.5768 9.5768 13.8968 13.8968 13.9059 13.9059 14.3731 14.3731 14.3755 14.3755 k = 0.5000 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2692 -25.2692 -25.2692 -25.2692 -17.6078 -17.6078 -17.6078 -17.6078 -17.5332 -17.5332 -17.5332 -17.5332 0.1782 0.1782 0.1782 0.1782 3.4471 3.4471 3.4471 3.4471 5.6040 5.6040 5.6040 5.6040 6.2747 6.2747 6.2747 6.2747 7.6608 7.6608 7.6608 7.6608 8.2058 8.2058 8.2058 8.2058 9.5751 9.5751 9.5751 9.5751 13.9030 13.9030 13.9030 13.9030 14.3775 14.3775 14.3775 14.3775 k = 0.5000 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2692 -25.2692 -25.2692 -25.2692 -17.6078 -17.6078 -17.6078 -17.6078 -17.5332 -17.5332 -17.5332 -17.5332 0.1782 0.1782 0.1782 0.1782 3.4471 3.4471 3.4471 3.4471 5.6040 5.6040 5.6040 5.6040 6.2747 6.2747 6.2747 6.2747 7.6608 7.6608 7.6608 7.6608 8.2058 8.2058 8.2058 8.2058 9.5751 9.5751 9.5751 9.5751 13.9030 13.9030 13.9030 13.9030 14.3775 14.3775 14.3775 14.3775 k = 0.4914 0.4914-0.0000 ( 4818 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2692 -25.2692 -25.2692 -25.2692 -17.6077 -17.6077 -17.6077 -17.6077 -17.5332 -17.5332 -17.5332 -17.5332 0.1760 0.1760 0.1786 0.1786 3.4384 3.4384 3.4494 3.4494 5.6010 5.6010 5.6087 5.6087 6.2749 6.2749 6.2857 6.2857 7.6273 7.6273 7.6908 7.6908 8.1861 8.1861 8.2322 8.2322 9.5737 9.5737 9.5769 9.5769 13.8926 13.8926 13.9102 13.9102 14.3729 14.3729 14.3758 14.3758 k = 0.4828 0.4828-0.0000 ( 4830 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2693 -25.2693 -25.2692 -25.2692 -17.6076 -17.6076 -17.6076 -17.6076 -17.5333 -17.5333 -17.5332 -17.5332 0.1697 0.1697 0.1800 0.1800 3.4152 3.4152 3.4534 3.4534 5.5997 5.5997 5.6152 5.6152 6.2769 6.2769 6.3165 6.3165 7.5885 7.5885 7.7198 7.7198 8.1726 8.1726 8.2650 8.2650 9.5724 9.5724 9.5797 9.5797 13.8655 13.8655 13.9279 13.9279 14.3602 14.3602 14.3694 14.3694 k = 0.4741 0.4741-0.0000 ( 4830 PWs) bands (ev): -50.9378 -50.9378 -50.9377 -50.9377 -25.2692 -25.2692 -25.2691 -25.2691 -17.6074 -17.6074 -17.6073 -17.6073 -17.5333 -17.5333 -17.5332 -17.5332 0.1593 0.1593 0.1822 0.1822 3.3777 3.3777 3.4601 3.4601 5.6001 5.6001 5.6236 5.6236 6.2802 6.2802 6.3666 6.3666 7.5436 7.5436 7.7501 7.7501 8.1642 8.1642 8.3036 8.3036 9.5711 9.5711 9.5836 9.5836 13.8222 13.8222 13.9568 13.9568 14.3386 14.3386 14.3595 14.3595 k = 0.4655 0.4655-0.0000 ( 4830 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2691 -25.2691 -25.2691 -25.2691 -17.6071 -17.6071 -17.6070 -17.6070 -17.5334 -17.5334 -17.5331 -17.5331 0.1447 0.1447 0.1853 0.1853 3.3273 3.3273 3.4693 3.4693 5.6025 5.6025 5.6340 5.6340 6.2848 6.2848 6.4344 6.4344 7.4930 7.4930 7.7834 7.7834 8.1600 8.1600 8.3470 8.3470 9.5696 9.5696 9.5890 9.5890 13.7647 13.7647 13.9961 13.9961 14.3078 14.3078 14.3465 14.3465 k = 0.4569 0.4569-0.0000 ( 4842 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2691 -25.2691 -25.2690 -25.2690 -17.6067 -17.6067 -17.6066 -17.6066 -17.5334 -17.5334 -17.5331 -17.5331 0.1261 0.1261 0.1892 0.1892 3.2658 3.2658 3.4813 3.4813 5.6069 5.6069 5.6466 5.6466 6.2907 6.2907 6.5180 6.5180 7.4375 7.4375 7.8205 7.8205 8.1591 8.1591 8.3941 8.3941 9.5683 9.5683 9.5957 9.5957 13.6962 13.6962 14.0444 14.0444 14.2681 14.2681 14.3307 14.3307 k = 0.4483 0.4483-0.0000 ( 4846 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2690 -25.2690 -25.2689 -25.2689 -17.6062 -17.6062 -17.6060 -17.6060 -17.5335 -17.5335 -17.5330 -17.5330 0.1035 0.1035 0.1939 0.1939 3.1950 3.1950 3.4958 3.4958 5.6136 5.6136 5.6613 5.6613 6.2977 6.2977 6.6152 6.6152 7.3784 7.3784 7.8617 7.8617 8.1609 8.1609 8.4440 8.4440 9.5672 9.5672 9.6040 9.6040 13.6196 13.6196 14.1000 14.1000 14.2205 14.2205 14.3117 14.3117 k = 0.4397 0.4397-0.0000 ( 4854 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2689 -25.2689 -25.2688 -25.2688 -17.6056 -17.6056 -17.6054 -17.6054 -17.5335 -17.5335 -17.5329 -17.5329 0.0772 0.0772 0.1993 0.1993 3.1165 3.1165 3.5130 3.5130 5.6228 5.6228 5.6782 5.6782 6.3058 6.3058 6.7237 6.7237 7.3174 7.3174 7.9067 7.9067 8.1649 8.1649 8.4960 8.4960 9.5668 9.5668 9.6138 9.6138 13.5382 13.5382 14.1597 14.1597 14.1666 14.1666 14.2893 14.2893 k = 0.4310 0.4310-0.0000 ( 4842 PWs) bands (ev): -50.9379 -50.9379 -50.9378 -50.9378 -25.2687 -25.2687 -25.2686 -25.2686 -17.6048 -17.6048 -17.6046 -17.6046 -17.5335 -17.5335 -17.5328 -17.5328 0.0471 0.0471 0.2054 0.2054 3.0321 3.0321 3.5329 3.5329 5.6346 5.6346 5.6975 5.6975 6.3147 6.3147 6.8400 6.8400 7.2572 7.2572 7.9549 7.9549 8.1710 8.1710 8.5496 8.5496 9.5672 9.5672 9.6250 9.6250 13.4547 13.4547 14.1071 14.1071 14.2182 14.2182 14.2648 14.2648 k = 0.4224 0.4224-0.0000 ( 4830 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2684 -25.2684 -25.2684 -25.2684 -17.6039 -17.6039 -17.6037 -17.6037 -17.5335 -17.5335 -17.5326 -17.5326 0.0135 0.0135 0.2120 0.2120 2.9431 2.9431 3.5553 3.5553 5.6493 5.6493 5.7192 5.7192 6.3244 6.3244 6.9560 6.9560 7.2057 7.2057 8.0054 8.0054 8.1791 8.1791 8.6044 8.6044 9.5688 9.5688 9.6379 9.6379 13.3716 13.3716 14.0437 14.0437 14.2273 14.2273 14.2793 14.2793 k = 0.4138 0.4138-0.0000 ( 4838 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2683 -25.2683 -25.2682 -25.2682 -17.6030 -17.6030 -17.6029 -17.6029 -17.5336 -17.5336 -17.5324 -17.5324 -0.0235 -0.0235 0.2192 0.2192 2.8506 2.8506 3.5804 3.5804 5.6669 5.6669 5.7433 5.7433 6.3344 6.3344 7.0309 7.0309 7.2031 7.2031 8.0569 8.0569 8.1896 8.1896 8.6602 8.6602 9.5718 9.5718 9.6522 9.6522 13.2913 13.2913 13.9770 13.9770 14.1944 14.1944 14.3171 14.3171 k = 0.4052 0.4052-0.0000 ( 4842 PWs) bands (ev): -50.9380 -50.9380 -50.9379 -50.9379 -25.2681 -25.2681 -25.2680 -25.2680 -17.6021 -17.6021 -17.6019 -17.6019 -17.5336 -17.5336 -17.5322 -17.5322 -0.0636 -0.0636 0.2267 0.2267 2.7558 2.7558 3.6082 3.6082 5.6876 5.6876 5.7699 5.7699 6.3442 6.3442 7.0116 7.0116 7.3027 7.3027 8.1072 8.1072 8.2037 8.2037 8.7167 8.7167 9.5764 9.5764 9.6681 9.6681 13.2157 13.2157 13.9077 13.9077 14.1566 14.1566 14.3343 14.3343 k = 0.3966 0.3966-0.0000 ( 4840 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2679 -25.2679 -25.2677 -25.2677 -17.6010 -17.6010 -17.6008 -17.6008 -17.5336 -17.5336 -17.5320 -17.5320 -0.1068 -0.1068 0.2345 0.2345 2.6593 2.6593 3.6386 3.6386 5.7114 5.7114 5.7992 5.7992 6.3531 6.3531 6.9603 6.9603 7.4426 7.4426 8.1522 8.1522 8.2248 8.2248 8.7737 8.7737 9.5829 9.5829 9.6856 9.6856 13.1464 13.1464 13.8362 13.8362 14.1158 14.1158 14.3300 14.3300 k = 0.3879 0.3879-0.0000 ( 4832 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2676 -25.2676 -25.2674 -25.2674 -17.5998 -17.5998 -17.5996 -17.5996 -17.5337 -17.5337 -17.5317 -17.5317 -0.1527 -0.1527 0.2425 0.2425 2.5621 2.5621 3.6715 3.6715 5.7382 5.7382 5.8312 5.8312 6.3600 6.3600 6.9060 6.9060 7.5941 7.5941 8.1859 8.1859 8.2579 8.2579 8.8311 8.8311 9.5916 9.5916 9.7046 9.7046 13.0849 13.0849 13.7630 13.7630 14.0730 14.0730 14.3093 14.3093 k = 0.3793 0.3793-0.0000 ( 4832 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2674 -25.2674 -25.2671 -25.2671 -17.5986 -17.5986 -17.5983 -17.5983 -17.5337 -17.5337 -17.5315 -17.5315 -0.2013 -0.2013 0.2506 0.2506 2.4645 2.4645 3.7071 3.7071 5.7679 5.7679 5.8661 5.8661 6.3634 6.3634 6.8558 6.8558 7.7509 7.7509 8.2092 8.2092 8.3020 8.3020 8.8886 8.8886 9.6026 9.6026 9.7252 9.7252 13.0326 13.0326 13.6881 13.6881 14.0289 14.0289 14.2770 14.2770 k = 0.3707 0.3707-0.0000 ( 4830 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2671 -25.2671 -25.2668 -25.2668 -17.5973 -17.5973 -17.5969 -17.5969 -17.5338 -17.5338 -17.5312 -17.5312 -0.2521 -0.2521 0.2586 0.2586 2.3672 2.3672 3.7453 3.7453 5.8003 5.8003 5.9041 5.9041 6.3614 6.3614 6.8134 6.8134 7.9095 7.9095 8.2286 8.2286 8.3513 8.3513 8.9461 8.9461 9.6162 9.6162 9.7474 9.7474 12.9904 12.9904 13.6118 13.6118 13.9845 13.9845 14.2366 14.2366 k = 0.3621 0.3621-0.0000 ( 4836 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2668 -25.2668 -25.2665 -25.2665 -17.5960 -17.5960 -17.5956 -17.5956 -17.5338 -17.5338 -17.5309 -17.5309 -0.3052 -0.3052 0.2665 0.2665 2.2704 2.2704 3.7862 3.7862 5.8351 5.8351 5.9451 5.9451 6.3520 6.3520 6.7818 6.7818 8.0640 8.0640 8.2483 8.2483 8.4054 8.4054 9.0032 9.0032 9.6327 9.6327 9.7711 9.7711 12.9592 12.9592 13.5341 13.5341 13.9404 13.9404 14.1899 14.1899 k = 0.3534 0.3534-0.0000 ( 4840 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2666 -25.2666 -25.2662 -25.2662 -17.5946 -17.5946 -17.5941 -17.5941 -17.5338 -17.5338 -17.5306 -17.5306 -0.3601 -0.3601 0.2740 0.2740 2.1747 2.1747 3.8296 3.8296 5.8720 5.8720 5.9893 5.9893 6.3343 6.3343 6.7631 6.7631 8.1976 8.1976 8.2753 8.2753 8.4726 8.4726 9.0595 9.0595 9.6523 9.6523 9.7965 9.7965 12.9394 12.9394 13.4550 13.4550 13.8976 13.8976 14.1383 14.1383 k = 0.3448 0.3448-0.0000 ( 4832 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2662 -25.2662 -25.2658 -25.2658 -17.5930 -17.5930 -17.5925 -17.5925 -17.5339 -17.5339 -17.5303 -17.5303 -0.4168 -0.4168 0.2811 0.2811 2.0801 2.0801 3.8755 3.8755 5.9103 5.9103 6.0366 6.0366 6.3092 6.3092 6.7573 6.7573 8.2635 8.2635 8.3355 8.3355 8.5725 8.5725 9.1147 9.1147 9.6755 9.6755 9.8234 9.8234 12.9311 12.9311 13.3745 13.3745 13.8566 13.8566 14.0828 14.0828 k = 0.3362 0.3362-0.0000 ( 4838 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2659 -25.2659 -25.2655 -25.2655 -17.5915 -17.5915 -17.5909 -17.5909 -17.5339 -17.5339 -17.5300 -17.5300 -0.4749 -0.4749 0.2876 0.2876 1.9870 1.9870 3.9241 3.9241 5.9492 5.9492 6.0866 6.0866 6.2797 6.2797 6.7631 6.7631 8.2893 8.2893 8.3927 8.3927 8.7127 8.7127 9.1685 9.1685 9.7026 9.7026 9.8519 9.8519 12.9336 12.9336 13.2926 13.2926 13.8182 13.8182 14.0245 14.0245 k = 0.3276 0.3276-0.0000 ( 4832 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2656 -25.2656 -25.2650 -25.2650 -17.5899 -17.5899 -17.5891 -17.5891 -17.5339 -17.5339 -17.5296 -17.5296 -0.5343 -0.5343 0.2935 0.2935 1.8955 1.8955 3.9752 3.9752 5.9869 5.9869 6.1372 6.1372 6.2519 6.2519 6.7784 6.7784 8.3106 8.3106 8.4274 8.4274 8.8757 8.8757 9.2209 9.2209 9.7340 9.7340 9.8820 9.8820 12.9456 12.9456 13.2096 13.2096 13.7825 13.7825 13.9654 13.9654 k = 0.3190 0.3190-0.0000 ( 4824 PWs) bands (ev): -50.9385 -50.9385 -50.9384 -50.9384 -25.2653 -25.2653 -25.2645 -25.2645 -17.5882 -17.5882 -17.5873 -17.5873 -17.5340 -17.5340 -17.5292 -17.5292 -0.5947 -0.5947 0.2985 0.2985 1.8059 1.8059 4.0289 4.0289 6.0195 6.0195 6.1774 6.1774 6.2428 6.2428 6.8011 6.8011 8.3313 8.3313 8.4483 8.4483 9.0462 9.0462 9.2737 9.2737 9.7700 9.7700 9.9138 9.9138 12.9636 12.9636 13.1271 13.1271 13.7483 13.7483 13.9092 13.9092 k = 0.3103 0.3103-0.0000 ( 4828 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2649 -25.2649 -25.2641 -25.2641 -17.5865 -17.5865 -17.5855 -17.5855 -17.5340 -17.5340 -17.5288 -17.5288 -0.6559 -0.6559 0.3025 0.3025 1.7182 1.7182 4.0851 4.0851 6.0386 6.0386 6.1895 6.1895 6.2803 6.2803 6.8297 6.8297 8.3521 8.3521 8.4603 8.4603 9.2062 9.2062 9.3389 9.3389 9.8107 9.8107 9.9474 9.9474 12.9735 12.9735 13.0560 13.0560 13.7112 13.7112 13.8633 13.8633 k = 0.3017 0.3017-0.0000 ( 4826 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2646 -25.2646 -25.2637 -25.2637 -17.5847 -17.5847 -17.5837 -17.5837 -17.5340 -17.5340 -17.5284 -17.5284 -0.7177 -0.7177 0.3055 0.3055 1.6325 1.6325 4.1439 4.1439 6.0359 6.0359 6.2078 6.2078 6.3392 6.3392 6.8632 6.8632 8.3724 8.3724 8.4665 8.4665 9.3062 9.3062 9.4629 9.4629 9.8559 9.8559 9.9830 9.9830 12.9233 12.9233 13.0446 13.0446 13.6636 13.6636 13.8392 13.8392 k = 0.2931 0.2931-0.0000 ( 4827 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2642 -25.2642 -25.2633 -25.2633 -17.5829 -17.5829 -17.5818 -17.5818 -17.5341 -17.5341 -17.5280 -17.5280 -0.7799 -0.7799 0.3074 0.3074 1.5490 1.5490 4.2051 4.2051 6.0170 6.0170 6.2428 6.2428 6.4039 6.4039 6.9006 6.9006 8.3911 8.3911 8.4699 8.4699 9.3548 9.3548 9.6356 9.6356 9.9052 9.9052 10.0210 10.0210 12.8370 12.8370 13.0644 13.0644 13.6031 13.6031 13.8435 13.8435 k = 0.2845 0.2845-0.0000 ( 4819 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2638 -25.2638 -25.2628 -25.2628 -17.5810 -17.5810 -17.5798 -17.5798 -17.5341 -17.5341 -17.5276 -17.5276 -0.8423 -0.8423 0.3080 0.3080 1.4677 1.4677 4.2688 4.2688 5.9922 5.9922 6.2872 6.2872 6.4714 6.4714 6.9417 6.9417 8.4050 8.4050 8.4753 8.4753 9.3883 9.3883 9.8191 9.8191 9.9575 9.9575 10.0626 10.0626 12.7430 12.7430 13.0827 13.0827 13.5341 13.5341 13.8755 13.8755 k = 0.2759 0.2759-0.0000 ( 4827 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2635 -25.2635 -25.2624 -25.2624 -17.5791 -17.5791 -17.5779 -17.5779 -17.5341 -17.5341 -17.5272 -17.5272 -0.9046 -0.9046 0.3073 0.3073 1.3887 1.3887 4.3350 4.3350 5.9672 5.9672 6.3367 6.3367 6.5404 6.5404 6.9859 6.9859 8.4105 8.4105 8.4877 8.4877 9.4146 9.4146 9.9977 9.9977 10.0157 10.0157 10.1112 10.1112 12.6448 12.6448 13.0930 13.0930 13.4613 13.4613 13.9323 13.9323 k = 0.2672 0.2672-0.0000 ( 4823 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2630 -25.2630 -25.2620 -25.2620 -17.5772 -17.5772 -17.5759 -17.5759 -17.5341 -17.5341 -17.5268 -17.5268 -0.9668 -0.9668 0.3052 0.3052 1.3120 1.3120 4.4037 4.4037 5.9443 5.9443 6.3890 6.3890 6.6100 6.6100 7.0330 7.0330 8.4084 8.4084 8.5081 8.5081 9.4353 9.4353 10.0615 10.0615 10.1415 10.1415 10.2124 10.2124 12.5431 12.5431 13.0932 13.0932 13.3881 13.3881 14.0090 14.0090 k = 0.2586 0.2586-0.0000 ( 4825 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2626 -25.2626 -25.2615 -25.2615 -17.5752 -17.5752 -17.5739 -17.5739 -17.5341 -17.5341 -17.5264 -17.5264 -1.0287 -1.0287 0.3018 0.3018 1.2376 1.2376 4.4748 4.4748 5.9250 5.9250 6.4433 6.4433 6.6791 6.6791 7.0829 7.0829 8.4031 8.4031 8.5337 8.5337 9.4511 9.4511 10.1108 10.1108 10.2060 10.2060 10.3921 10.3921 12.4379 12.4379 13.0820 13.0820 13.3184 13.3184 14.0873 14.0873 k = 0.2500 0.2500-0.0000 ( 4829 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2623 -25.2623 -25.2611 -25.2611 -17.5733 -17.5733 -17.5719 -17.5719 -17.5342 -17.5342 -17.5259 -17.5259 -1.0900 -1.0900 0.2969 0.2969 1.1657 1.1657 4.5483 4.5483 5.9097 5.9097 6.4989 6.4989 6.7469 6.7469 7.1354 7.1354 8.3984 8.3984 8.5627 8.5627 9.4623 9.4623 10.1568 10.1568 10.2696 10.2696 10.5773 10.5773 12.3294 12.3294 13.0574 13.0574 13.2573 13.2573 14.1027 14.1027 k = 0.2414 0.2414-0.0000 ( 4829 PWs) bands (ev): -50.9391 -50.9391 -50.9390 -50.9390 -25.2619 -25.2619 -25.2607 -25.2607 -17.5713 -17.5713 -17.5698 -17.5698 -17.5342 -17.5342 -17.5256 -17.5256 -1.1506 -1.1506 0.2906 0.2906 1.0962 1.0962 4.6241 4.6241 5.8990 5.8990 6.5550 6.5550 6.8123 6.8123 7.1904 7.1904 8.3968 8.3968 8.5942 8.5942 9.4691 9.4691 10.2001 10.2001 10.3365 10.3365 10.7608 10.7608 12.2174 12.2174 13.0167 13.0167 13.2102 13.2102 14.0699 14.0699 k = 0.2328 0.2328-0.0000 ( 4827 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2615 -25.2615 -25.2602 -25.2602 -17.5694 -17.5694 -17.5678 -17.5678 -17.5342 -17.5342 -17.5251 -17.5251 -1.2103 -1.2103 0.2829 0.2829 1.0292 1.0292 4.7023 4.7023 5.8930 5.8930 6.6111 6.6111 6.8744 6.8744 7.2478 7.2478 8.4008 8.4008 8.6280 8.6280 9.4714 9.4714 10.2416 10.2416 10.4058 10.4058 10.9408 10.9408 12.1021 12.1021 12.9610 12.9610 13.1789 13.1789 14.0269 14.0269 k = 0.2241 0.2241-0.0000 ( 4831 PWs) bands (ev): -50.9392 -50.9392 -50.9391 -50.9391 -25.2611 -25.2611 -25.2598 -25.2598 -17.5674 -17.5674 -17.5657 -17.5657 -17.5342 -17.5342 -17.5247 -17.5247 -1.2691 -1.2691 0.2739 0.2739 0.9646 0.9646 4.7827 4.7827 5.8919 5.8919 6.6661 6.6661 6.9326 6.9326 7.3074 7.3074 8.4120 8.4120 8.6639 8.6639 9.4692 9.4692 10.2817 10.2817 10.4764 10.4764 11.1159 11.1159 11.9836 11.9836 12.8958 12.8958 13.1598 13.1598 13.9803 13.9803 k = 0.2155 0.2155-0.0000 ( 4839 PWs) bands (ev): -50.9393 -50.9393 -50.9392 -50.9392 -25.2608 -25.2608 -25.2593 -25.2593 -17.5655 -17.5655 -17.5637 -17.5637 -17.5343 -17.5343 -17.5243 -17.5243 -1.3267 -1.3267 0.2637 0.2637 0.9024 0.9024 4.8655 4.8655 5.8958 5.8958 6.7189 6.7189 6.9868 6.9868 7.3693 7.3693 8.4319 8.4319 8.7021 8.7021 9.4624 9.4624 10.3206 10.3206 10.5473 10.5473 11.2841 11.2841 11.8623 11.8623 12.8267 12.8267 13.1495 13.1495 13.9318 13.9318 k = 0.2069 0.2069-0.0000 ( 4835 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2604 -25.2604 -25.2589 -25.2589 -17.5635 -17.5635 -17.5617 -17.5617 -17.5342 -17.5342 -17.5238 -17.5238 -1.3830 -1.3830 0.2522 0.2522 0.8428 0.8428 4.9504 4.9504 5.9046 5.9046 6.7675 6.7675 7.0377 7.0377 7.4334 7.4334 8.4614 8.4614 8.7429 8.7429 9.4509 9.4509 10.3583 10.3583 10.6176 10.6176 11.4427 11.4427 11.7393 11.7393 12.7571 12.7571 13.1463 13.1463 13.8821 13.8821 k = 0.1983 0.1983-0.0000 ( 4839 PWs) bands (ev): -50.9394 -50.9394 -50.9393 -50.9393 -25.2600 -25.2600 -25.2585 -25.2585 -17.5616 -17.5616 -17.5597 -17.5597 -17.5342 -17.5342 -17.5234 -17.5234 -1.4380 -1.4380 0.2397 0.2397 0.7856 0.7856 5.0374 5.0374 5.9183 5.9183 6.8099 6.8099 7.0870 7.0870 7.4996 7.4996 8.5006 8.5006 8.7867 8.7867 9.4346 9.4346 10.3945 10.3945 10.6866 10.6866 11.5671 11.5671 11.6375 11.6375 12.6892 12.6892 13.1497 13.1497 13.8316 13.8316 k = 0.1897 0.1897-0.0000 ( 4837 PWs) bands (ev): -50.9394 -50.9394 -50.9394 -50.9394 -25.2597 -25.2597 -25.2580 -25.2580 -17.5597 -17.5597 -17.5577 -17.5577 -17.5342 -17.5342 -17.5230 -17.5230 -1.4914 -1.4914 0.2261 0.2261 0.7308 0.7308 5.1265 5.1265 5.9369 5.9369 6.8437 6.8437 7.1370 7.1370 7.5678 7.5678 8.5488 8.5488 8.8341 8.8341 9.4135 9.4135 10.4291 10.4291 10.7533 10.7533 11.4731 11.4731 11.7394 11.7394 12.6243 12.6243 13.1598 13.1598 13.7682 13.7682 k = 0.1810 0.1810-0.0000 ( 4833 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2592 -25.2592 -25.2576 -25.2576 -17.5578 -17.5578 -17.5557 -17.5557 -17.5342 -17.5342 -17.5226 -17.5226 -1.5431 -1.5431 0.2118 0.2118 0.6786 0.6786 5.2177 5.2177 5.9600 5.9600 6.8673 6.8673 7.1897 7.1897 7.6380 7.6380 8.6044 8.6044 8.8859 8.8859 9.3876 9.3876 10.4619 10.4619 10.8165 10.8165 11.3443 11.3443 11.8598 11.8598 12.5639 12.5639 13.1765 13.1765 13.6390 13.6390 k = 0.1724 0.1724-0.0000 ( 4847 PWs) bands (ev): -50.9396 -50.9396 -50.9395 -50.9395 -25.2589 -25.2589 -25.2573 -25.2573 -17.5560 -17.5560 -17.5539 -17.5539 -17.5342 -17.5342 -17.5222 -17.5222 -1.5931 -1.5931 0.1968 0.1968 0.6288 0.6288 5.3107 5.3107 5.9877 5.9877 6.8805 6.8805 7.2462 7.2462 7.7099 7.7099 8.6650 8.6650 8.9433 8.9433 9.3569 9.3569 10.4926 10.4926 10.8736 10.8736 11.2153 11.2153 11.9638 11.9638 12.5094 12.5094 13.1989 13.1989 13.5065 13.5065 k = 0.1638 0.1638-0.0000 ( 4851 PWs) bands (ev): -50.9396 -50.9396 -50.9396 -50.9396 -25.2586 -25.2586 -25.2569 -25.2569 -17.5543 -17.5543 -17.5521 -17.5521 -17.5342 -17.5342 -17.5218 -17.5218 -1.6413 -1.6413 0.1812 0.1812 0.5815 0.5815 5.4055 5.4055 6.0196 6.0196 6.8841 6.8841 7.3065 7.3065 7.7835 7.7835 8.7279 8.7279 9.0075 9.0075 9.3217 9.3217 10.5208 10.5208 10.9136 10.9136 11.0980 11.0980 12.0472 12.0472 12.4634 12.4634 13.2228 13.2228 13.3794 13.3794 k = 0.1552 0.1552-0.0000 ( 4843 PWs) bands (ev): -50.9397 -50.9397 -50.9396 -50.9396 -25.2581 -25.2581 -25.2565 -25.2565 -17.5524 -17.5524 -17.5503 -17.5503 -17.5341 -17.5341 -17.5214 -17.5214 -1.6876 -1.6876 0.1652 0.1652 0.5366 0.5366 5.5020 5.5020 6.0555 6.0555 6.8798 6.8798 7.3701 7.3701 7.8586 7.8586 8.7904 8.7904 9.0791 9.0791 9.2827 9.2827 10.5463 10.5463 10.8804 10.8804 11.0488 11.0488 12.1054 12.1054 12.4303 12.4303 13.2054 13.2054 13.2996 13.2996 k = 0.1466 0.1466-0.0000 ( 4833 PWs) bands (ev): -50.9397 -50.9397 -50.9397 -50.9397 -25.2577 -25.2577 -25.2561 -25.2561 -17.5507 -17.5507 -17.5485 -17.5485 -17.5340 -17.5340 -17.5210 -17.5210 -1.7318 -1.7318 0.1491 0.1491 0.4942 0.4942 5.6001 5.6001 6.0952 6.0952 6.8695 6.8695 7.4361 7.4361 7.9348 7.9348 8.8502 8.8502 9.1563 9.1563 9.2424 9.2424 10.5681 10.5681 10.7666 10.7666 11.0761 11.0761 12.1334 12.1334 12.4155 12.4155 13.0948 13.0948 13.3174 13.3174 k = 0.1379 0.1379-0.0000 ( 4837 PWs) bands (ev): -50.9398 -50.9398 -50.9397 -50.9397 -25.2575 -25.2575 -25.2558 -25.2558 -17.5491 -17.5491 -17.5468 -17.5468 -17.5340 -17.5340 -17.5207 -17.5207 -1.7739 -1.7739 0.1328 0.1328 0.4542 0.4542 5.6995 5.6995 6.1384 6.1384 6.8548 6.8548 7.5035 7.5035 8.0119 8.0119 8.9058 8.9058 9.1847 9.1847 9.2556 9.2556 10.5773 10.5773 10.6449 10.6449 11.1160 11.1160 12.1316 12.1316 12.4203 12.4203 12.9710 12.9710 13.3508 13.3508 k = 0.1293 0.1293-0.0000 ( 4825 PWs) bands (ev): -50.9398 -50.9398 -50.9398 -50.9398 -25.2571 -25.2571 -25.2553 -25.2553 -17.5475 -17.5475 -17.5451 -17.5451 -17.5340 -17.5340 -17.5203 -17.5203 -1.8138 -1.8138 0.1167 0.1167 0.4166 0.4166 5.8001 5.8001 6.1846 6.1846 6.8371 6.8371 7.5716 7.5716 8.0895 8.0895 8.9547 8.9547 9.1438 9.1438 9.3439 9.3439 10.4847 10.4847 10.6186 10.6186 11.1548 11.1548 12.1086 12.1086 12.4373 12.4373 12.8487 12.8487 13.3829 13.3829 k = 0.1207 0.1207-0.0000 ( 4815 PWs) bands (ev): -50.9399 -50.9399 -50.9398 -50.9398 -25.2567 -25.2567 -25.2550 -25.2550 -17.5460 -17.5460 -17.5435 -17.5435 -17.5339 -17.5339 -17.5199 -17.5199 -1.8515 -1.8515 0.1008 0.1008 0.3815 0.3815 5.9016 5.9016 6.2335 6.2335 6.8175 6.8175 7.6396 7.6396 8.1671 8.1671 8.9876 8.9876 9.1102 9.1102 9.4389 9.4389 10.3500 10.3500 10.6314 10.6314 11.1896 11.1896 12.0739 12.0739 12.4573 12.4573 12.7319 12.7319 13.4004 13.4004 k = 0.1121 0.1121-0.0000 ( 4815 PWs) bands (ev): -50.9399 -50.9399 -50.9399 -50.9399 -25.2565 -25.2565 -25.2547 -25.2547 -17.5446 -17.5446 -17.5421 -17.5421 -17.5339 -17.5339 -17.5196 -17.5196 -1.8868 -1.8868 0.0854 0.0854 0.3488 0.3488 6.0037 6.0037 6.2846 6.2846 6.7972 6.7972 7.7068 7.7068 8.2440 8.2440 8.9800 8.9800 9.1130 9.1130 9.5350 9.5350 10.2132 10.2132 10.6450 10.6450 11.2195 11.2195 12.0334 12.0334 12.4689 12.4689 12.6292 12.6292 13.3721 13.3721 k = 0.1034 0.1034-0.0000 ( 4811 PWs) bands (ev): -50.9400 -50.9400 -50.9399 -50.9399 -25.2562 -25.2562 -25.2544 -25.2544 -17.5432 -17.5432 -17.5407 -17.5407 -17.5338 -17.5338 -17.5193 -17.5193 -1.9198 -1.9198 0.0704 0.0704 0.3185 0.3185 6.1059 6.1059 6.3373 6.3373 6.7769 6.7769 7.7724 7.7724 8.3193 8.3193 8.9387 8.9387 9.1472 9.1472 9.6294 9.6294 10.0775 10.0775 10.6580 10.6580 11.2439 11.2439 11.9900 11.9900 12.4372 12.4372 12.5753 12.5753 13.3382 13.3382 k = 0.0948 0.0948-0.0000 ( 4815 PWs) bands (ev): -50.9400 -50.9400 -50.9399 -50.9399 -25.2559 -25.2559 -25.2541 -25.2541 -17.5420 -17.5420 -17.5395 -17.5395 -17.5338 -17.5338 -17.5190 -17.5190 -1.9503 -1.9503 0.0562 0.0562 0.2906 0.2906 6.2079 6.2079 6.3909 6.3909 6.7575 6.7575 7.8356 7.8356 8.3915 8.3915 8.8890 8.8890 9.1897 9.1897 9.7195 9.7195 9.9440 9.9440 10.6709 10.6709 11.2626 11.2626 11.9457 11.9457 12.3515 12.3515 12.5818 12.5818 13.3077 13.3077 k = 0.0862 0.0862-0.0000 ( 4819 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2558 -25.2558 -25.2539 -25.2539 -17.5409 -17.5409 -17.5383 -17.5383 -17.5338 -17.5338 -17.5188 -17.5188 -1.9783 -1.9783 0.0428 0.0428 0.2651 0.2651 6.3088 6.3088 6.4444 6.4444 6.7400 6.7400 7.8952 7.8952 8.4578 8.4578 8.8408 8.8408 9.2337 9.2337 9.7994 9.7994 9.8170 9.8170 10.6848 10.6848 11.2752 11.2752 11.9019 11.9019 12.2541 12.2541 12.6079 12.6079 13.2814 13.2814 k = 0.0776 0.0776-0.0000 ( 4815 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2555 -25.2555 -25.2536 -25.2536 -17.5398 -17.5398 -17.5371 -17.5371 -17.5337 -17.5337 -17.5185 -17.5185 -2.0038 -2.0038 0.0303 0.0303 0.2420 0.2420 6.4076 6.4076 6.4965 6.4965 6.7258 6.7258 7.9501 7.9501 8.5128 8.5128 8.8020 8.8020 9.2772 9.2772 9.6873 9.6873 9.8773 9.8773 10.7006 10.7006 11.2814 11.2814 11.8599 11.8599 12.1588 12.1588 12.6415 12.6415 13.2594 13.2594 k = 0.0690 0.0690-0.0000 ( 4815 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2553 -25.2553 -25.2534 -25.2534 -17.5388 -17.5388 -17.5362 -17.5362 -17.5337 -17.5337 -17.5183 -17.5183 -2.0267 -2.0267 0.0189 0.0189 0.2213 0.2213 6.5009 6.5009 6.5469 6.5469 6.7175 6.7175 7.9990 7.9990 8.5466 8.5466 8.7838 8.7838 9.3189 9.3189 9.5676 9.5676 9.9401 9.9401 10.7193 10.7193 11.2814 11.2814 11.8213 11.8213 12.0689 12.0689 12.6804 12.6804 13.2414 13.2414 k = 0.0603 0.0603-0.0000 ( 4809 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2552 -25.2552 -25.2532 -25.2532 -17.5380 -17.5380 -17.5353 -17.5353 -17.5337 -17.5337 -17.5181 -17.5181 -2.0471 -2.0471 0.0086 0.0086 0.2031 0.2031 6.5665 6.5665 6.6111 6.6111 6.7194 6.7194 8.0402 8.0402 8.5511 8.5511 8.7950 8.7950 9.3566 9.3566 9.4571 9.4571 9.9904 9.9904 10.7411 10.7411 11.2754 11.2754 11.7873 11.7873 11.9862 11.9862 12.7243 12.7243 13.2270 13.2270 k = 0.0517 0.0517-0.0000 ( 4789 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2549 -25.2549 -25.2529 -25.2529 -17.5371 -17.5371 -17.5344 -17.5344 -17.5337 -17.5337 -17.5179 -17.5179 -2.0647 -2.0647 -0.0005 -0.0005 0.1873 0.1873 6.5919 6.5919 6.6946 6.6946 6.7363 6.7363 8.0720 8.0720 8.5354 8.5354 8.8274 8.8274 9.3417 9.3417 9.4061 9.4061 10.0282 10.0282 10.7655 10.7655 11.2643 11.2643 11.7587 11.7587 11.9118 11.9118 12.7730 12.7730 13.2158 13.2158 k = 0.0431 0.0431-0.0000 ( 4785 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2548 -25.2548 -25.2527 -25.2527 -17.5365 -17.5365 -17.5337 -17.5337 -17.5336 -17.5336 -17.5177 -17.5177 -2.0797 -2.0797 -0.0083 -0.0083 0.1739 0.1739 6.5994 6.5994 6.7645 6.7645 6.7761 6.7761 8.0934 8.0934 8.5146 8.5146 8.8656 8.8656 9.2552 9.2552 9.4354 9.4354 10.0544 10.0544 10.7909 10.7909 11.2496 11.2496 11.7358 11.7358 11.8468 11.8468 12.8258 12.8258 13.2072 13.2072 k = 0.0345 0.0345-0.0000 ( 4777 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2546 -25.2546 -25.2526 -25.2526 -17.5359 -17.5359 -17.5336 -17.5336 -17.5331 -17.5331 -17.5176 -17.5176 -2.0920 -2.0920 -0.0148 -0.0148 0.1629 0.1629 6.5989 6.5989 6.7979 6.7979 6.8478 6.8478 8.1044 8.1044 8.4969 8.4969 8.8995 8.8995 9.1806 9.1806 9.4645 9.4645 10.0709 10.0709 10.8155 10.8155 11.2332 11.2332 11.7183 11.7183 11.7921 11.7921 12.8818 12.8818 13.2008 13.2008 k = 0.0259 0.0259-0.0000 ( 4779 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2546 -25.2546 -25.2525 -25.2525 -17.5355 -17.5355 -17.5336 -17.5336 -17.5327 -17.5327 -17.5175 -17.5175 -2.1016 -2.1016 -0.0199 -0.0199 0.1543 0.1543 6.5959 6.5959 6.8284 6.8284 6.9085 6.9085 8.1069 8.1069 8.4847 8.4847 8.9219 8.9219 9.1264 9.1264 9.4889 9.4889 10.0803 10.0803 10.8370 10.8370 11.2175 11.2175 11.7058 11.7058 11.7486 11.7486 12.9391 12.9391 13.1961 13.1961 k = 0.0172 0.0172-0.0000 ( 4779 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2524 -25.2524 -17.5353 -17.5353 -17.5336 -17.5336 -17.5323 -17.5323 -17.5174 -17.5174 -2.1085 -2.1085 -0.0236 -0.0236 0.1482 0.1482 6.5928 6.5928 6.8525 6.8525 6.9547 6.9547 8.1045 8.1045 8.4775 8.4775 8.9292 8.9292 9.0962 9.0962 9.5073 9.5073 10.0848 10.0848 10.8537 10.8537 11.2046 11.2046 11.6975 11.6975 11.7170 11.7170 12.9950 12.9950 13.1925 13.1925 k = 0.0086 0.0086-0.0000 ( 4771 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2523 -25.2523 -17.5351 -17.5351 -17.5336 -17.5336 -17.5321 -17.5321 -17.5173 -17.5173 -2.1126 -2.1126 -0.0258 -0.0258 0.1446 0.1446 6.5906 6.5906 6.8680 6.8680 6.9837 6.9837 8.1011 8.1011 8.4738 8.4738 8.9263 8.9263 9.0852 9.0852 9.5188 9.5188 10.0867 10.0867 10.8642 10.8642 11.1962 11.1962 11.6927 11.6927 11.6978 11.6978 13.0436 13.0436 13.1863 13.1863 k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2522 -25.2522 -17.5351 -17.5351 -17.5336 -17.5336 -17.5320 -17.5320 -17.5173 -17.5173 -2.1140 -2.1140 -0.0265 -0.0265 0.1433 0.1433 6.5898 6.5898 6.8733 6.8733 6.9936 6.9936 8.0996 8.0996 8.4727 8.4727 8.9238 8.9238 9.0831 9.0831 9.5227 9.5227 10.0871 10.0871 10.8677 10.8677 11.1933 11.1933 11.6912 11.6912 11.6914 11.6914 13.0672 13.0672 13.1736 13.1736 k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2522 -25.2522 -17.5351 -17.5351 -17.5336 -17.5336 -17.5320 -17.5320 -17.5173 -17.5173 -2.1140 -2.1140 -0.0265 -0.0265 0.1433 0.1433 6.5898 6.5898 6.8733 6.8733 6.9936 6.9936 8.0996 8.0996 8.4727 8.4727 8.9238 8.9238 9.0831 9.0831 9.5227 9.5227 10.0871 10.0871 10.8677 10.8677 11.1933 11.1933 11.6912 11.6912 11.6914 11.6914 13.0672 13.0672 13.1736 13.1736 k = 0.0000 0.0000 0.0120 ( 4767 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2522 -25.2522 -17.5351 -17.5351 -17.5335 -17.5335 -17.5320 -17.5320 -17.5173 -17.5173 -2.1132 -2.1132 -0.0483 -0.0483 0.1652 0.1652 6.5521 6.5521 6.9137 6.9137 6.9937 6.9937 8.1001 8.1001 8.4735 8.4735 8.9232 8.9232 9.0817 9.0817 9.5216 9.5216 10.0873 10.0873 10.8689 10.8689 11.1935 11.1935 11.6843 11.6843 11.6941 11.6941 13.0674 13.0674 13.1733 13.1733 k = 0.0000 0.0000 0.0240 ( 4767 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2522 -25.2522 -17.5351 -17.5351 -17.5335 -17.5335 -17.5320 -17.5320 -17.5174 -17.5174 -2.1108 -2.1108 -0.0959 -0.0959 0.2131 0.2131 6.4717 6.4717 6.9940 6.9940 7.0023 7.0023 8.1015 8.1015 8.4757 8.4757 8.9214 8.9214 9.0774 9.0774 9.5184 9.5184 10.0878 10.0878 10.8723 10.8723 11.1936 11.1936 11.6644 11.6644 11.7022 11.7022 13.0681 13.0681 13.1725 13.1725 k = 0.0000 0.0000 0.0359 ( 4771 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2523 -25.2523 -17.5351 -17.5351 -17.5333 -17.5333 -17.5321 -17.5321 -17.5175 -17.5175 -2.1070 -2.1070 -0.1518 -0.1518 0.2694 0.2694 6.3794 6.3794 6.9945 6.9945 7.1081 7.1081 8.1039 8.1039 8.4794 8.4794 8.9184 8.9184 9.0703 9.0703 9.5131 9.5131 10.0885 10.0885 10.8778 10.8778 11.1914 11.1914 11.6348 11.6348 11.7155 11.7155 13.0692 13.0692 13.1716 13.1716 k = 0.0000 0.0000 0.0479 ( 4783 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2524 -25.2524 -17.5351 -17.5351 -17.5332 -17.5332 -17.5321 -17.5321 -17.5178 -17.5178 -2.1016 -2.1016 -0.2102 -0.2102 0.3282 0.3282 6.2852 6.2852 6.9952 6.9952 7.2212 7.2212 8.1076 8.1076 8.4846 8.4846 8.9144 8.9144 9.0605 9.0605 9.5060 9.5060 10.0892 10.0892 10.8853 10.8853 11.1830 11.1830 11.6008 11.6008 11.7337 11.7337 13.0708 13.0708 13.1712 13.1712 k = 0.0000 0.0000 0.0599 ( 4783 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2524 -25.2524 -17.5350 -17.5350 -17.5330 -17.5330 -17.5322 -17.5322 -17.5180 -17.5180 -2.0949 -2.0949 -0.2687 -0.2687 0.3873 0.3873 6.1924 6.1924 6.9961 6.9961 7.3378 7.3378 8.1127 8.1127 8.4913 8.4913 8.9095 8.9095 9.0483 9.0483 9.4973 9.4973 10.0894 10.0894 10.8946 10.8946 11.1624 11.1624 11.5705 11.5705 11.7564 11.7564 13.0729 13.0729 13.1718 13.1718 k = 0.0000 0.0000 0.0719 ( 4791 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2525 -25.2525 -17.5350 -17.5350 -17.5328 -17.5328 -17.5322 -17.5322 -17.5183 -17.5183 -2.0869 -2.0869 -0.3264 -0.3264 0.4456 0.4456 6.1025 6.1025 6.9971 6.9971 7.4562 7.4562 8.1198 8.1198 8.4994 8.4994 8.9038 8.9038 9.0337 9.0337 9.4872 9.4872 10.0887 10.0887 10.9053 10.9053 11.1234 11.1234 11.5521 11.5521 11.7830 11.7830 13.0754 13.0754 13.1735 13.1735 k = 0.0000 0.0000 0.0839 ( 4799 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2526 -25.2526 -17.5350 -17.5350 -17.5324 -17.5324 -17.5323 -17.5323 -17.5186 -17.5186 -2.0779 -2.0779 -0.3826 -0.3826 0.5023 0.5023 6.0165 6.0165 6.9982 6.9982 7.5743 7.5743 8.1300 8.1300 8.5088 8.5088 8.8975 8.8975 9.0172 9.0172 9.4762 9.4762 10.0864 10.0864 10.9171 10.9171 11.0637 11.0637 11.5503 11.5503 11.8130 11.8130 13.0783 13.0783 13.1766 13.1766 k = 0.0000 0.0000 0.0959 ( 4803 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2545 -25.2545 -25.2526 -25.2526 -17.5349 -17.5349 -17.5324 -17.5324 -17.5321 -17.5321 -17.5190 -17.5190 -2.0678 -2.0678 -0.4368 -0.4368 0.5569 0.5569 5.9350 5.9350 6.9994 6.9994 7.6898 7.6898 8.1453 8.1453 8.5197 8.5197 8.8907 8.8907 8.9988 8.9988 9.4646 9.4646 10.0813 10.0813 10.9297 10.9297 10.9864 10.9864 11.5642 11.5642 11.8456 11.8456 13.0816 13.0816 13.1810 13.1810 k = 0.0000 0.0000 0.1078 ( 4791 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2544 -25.2544 -25.2526 -25.2526 -17.5349 -17.5349 -17.5324 -17.5324 -17.5317 -17.5317 -17.5193 -17.5193 -2.0571 -2.0571 -0.4884 -0.4884 0.6088 0.6088 5.8586 5.8586 7.0006 7.0006 7.7980 7.7980 8.1698 8.1698 8.5318 8.5318 8.8837 8.8837 8.9789 8.9789 9.4527 9.4527 10.0721 10.0721 10.8976 10.8976 10.9427 10.9427 11.5904 11.5904 11.8801 11.8801 13.0853 13.0853 13.1838 13.1838 k = 0.0000 0.0000 0.1198 ( 4799 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2544 -25.2544 -25.2527 -25.2527 -17.5348 -17.5348 -17.5325 -17.5325 -17.5313 -17.5313 -17.5198 -17.5198 -2.0458 -2.0458 -0.5371 -0.5371 0.6576 0.6576 5.7877 5.7877 7.0019 7.0019 7.8910 7.8910 8.2110 8.2110 8.5452 8.5452 8.8767 8.8767 8.9578 8.9578 9.4408 9.4408 10.0566 10.0566 10.8038 10.8038 10.9558 10.9558 11.6250 11.6250 11.9156 11.9156 13.0893 13.0893 13.1813 13.1813 k = 0.0000 0.0000 0.1318 ( 4808 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2544 -25.2544 -25.2527 -25.2527 -17.5348 -17.5348 -17.5326 -17.5326 -17.5309 -17.5309 -17.5202 -17.5202 -2.0344 -2.0344 -0.5825 -0.5825 0.7028 0.7028 5.7228 5.7228 7.0032 7.0032 7.9597 7.9597 8.2776 8.2776 8.5597 8.5597 8.8699 8.8699 8.9358 8.9358 9.4292 9.4292 10.0318 10.0318 10.7111 10.7111 10.9685 10.9685 11.6654 11.6654 11.9512 11.9512 13.0936 13.0936 13.1784 13.1784 k = 0.0000 0.0000 0.1438 ( 4800 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2543 -25.2543 -25.2527 -25.2527 -17.5347 -17.5347 -17.5326 -17.5326 -17.5304 -17.5304 -17.5206 -17.5206 -2.0231 -2.0231 -0.6240 -0.6240 0.7439 0.7439 5.6643 5.6643 7.0044 7.0044 8.0030 8.0030 8.3704 8.3704 8.5753 8.5753 8.8636 8.8636 8.9131 8.9131 9.4184 9.4184 9.9941 9.9941 10.6256 10.6256 10.9807 10.9807 11.7090 11.7090 11.9859 11.9859 13.0982 13.0982 13.1754 13.1754 k = 0.0000 0.0000 0.1558 ( 4800 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2543 -25.2543 -25.2528 -25.2528 -17.5347 -17.5347 -17.5327 -17.5327 -17.5300 -17.5300 -17.5211 -17.5211 -2.0122 -2.0122 -0.6612 -0.6612 0.7806 0.7806 5.6126 5.6126 7.0055 7.0055 8.0286 8.0286 8.4810 8.4810 8.5918 8.5918 8.8582 8.8582 8.8901 8.8901 9.4084 9.4084 9.9396 9.9396 10.5527 10.5527 10.9919 10.9919 11.7538 11.7538 12.0187 12.0187 13.1029 13.1029 13.1722 13.1722 k = 0.0000 0.0000 0.1677 ( 4784 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2541 -25.2541 -25.2528 -25.2528 -17.5344 -17.5344 -17.5327 -17.5327 -17.5295 -17.5295 -17.5215 -17.5215 -2.0021 -2.0021 -0.6937 -0.6937 0.8124 0.8124 5.5681 5.5681 7.0066 7.0066 8.0442 8.0442 8.6004 8.6004 8.6089 8.6089 8.8545 8.8545 8.8671 8.8671 9.3995 9.3995 9.8667 9.8667 10.4959 10.4959 11.0018 11.0018 11.7974 11.7974 12.0487 12.0487 13.1077 13.1077 13.1688 13.1688 k = 0.0000 0.0000 0.1797 ( 4800 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2541 -25.2541 -25.2530 -25.2530 -17.5344 -17.5344 -17.5329 -17.5329 -17.5290 -17.5290 -17.5221 -17.5221 -1.9932 -1.9932 -0.7211 -0.7211 0.8389 0.8389 5.5312 5.5312 7.0074 7.0074 8.0542 8.0542 8.6263 8.6263 8.7206 8.7206 8.8448 8.8448 8.8555 8.8555 9.3920 9.3920 9.7767 9.7767 10.4551 10.4551 11.0104 11.0104 11.8378 11.8378 12.0749 12.0749 13.1124 13.1124 13.1655 13.1655 k = 0.0000 0.0000 0.1917 ( 4796 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2540 -25.2540 -25.2531 -25.2531 -17.5343 -17.5343 -17.5329 -17.5329 -17.5286 -17.5286 -17.5225 -17.5225 -1.9859 -1.9859 -0.7428 -0.7428 0.8599 0.8599 5.5022 5.5022 7.0081 7.0081 8.0607 8.0607 8.6434 8.6434 8.8100 8.8100 8.8238 8.8238 8.8895 8.8895 9.3860 9.3860 9.6739 9.6739 10.4277 10.4277 11.0172 11.0172 11.8725 11.8725 12.0963 12.0963 13.1167 13.1167 13.1623 13.1623 k = 0.0000 0.0000 0.2037 ( 4792 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2539 -25.2539 -25.2531 -25.2531 -17.5342 -17.5342 -17.5330 -17.5330 -17.5282 -17.5282 -17.5229 -17.5229 -1.9804 -1.9804 -0.7587 -0.7587 0.8751 0.8751 5.4812 5.4812 7.0087 7.0087 8.0649 8.0649 8.6589 8.6589 8.8054 8.8054 8.8270 8.8270 8.9940 8.9940 9.3816 9.3816 9.5647 9.5647 10.4107 10.4107 11.0222 11.0222 11.8994 11.8994 12.1122 12.1122 13.1204 13.1204 13.1595 13.1595 k = 0.0000 0.0000 0.2157 ( 4792 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2538 -25.2538 -25.2531 -25.2531 -17.5342 -17.5342 -17.5330 -17.5330 -17.5279 -17.5279 -17.5232 -17.5232 -1.9770 -1.9770 -0.7683 -0.7683 0.8843 0.8843 5.4686 5.4686 7.0090 7.0090 8.0672 8.0672 8.6706 8.6706 8.7919 8.7919 8.8288 8.8288 9.1020 9.1020 9.3789 9.3789 9.4614 9.4614 10.4015 10.4015 11.0253 11.0253 11.9165 11.9165 12.1221 12.1221 13.1230 13.1230 13.1575 13.1575 k = 0.0000 0.0000 0.2276 ( 4804 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2539 -25.2539 -25.2533 -25.2533 -17.5342 -17.5342 -17.5331 -17.5331 -17.5279 -17.5279 -17.5233 -17.5233 -1.9758 -1.9758 -0.7715 -0.7715 0.8874 0.8874 5.4644 5.4644 7.0091 7.0091 8.0680 8.0680 8.6752 8.6752 8.7868 8.7868 8.8289 8.8289 9.1584 9.1584 9.3780 9.3780 9.4068 9.4068 10.3986 10.3986 11.0263 11.0263 11.9223 11.9223 12.1254 12.1254 13.1240 13.1240 13.1567 13.1567 k = 0.0000 0.0000 0.2276 ( 4804 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2539 -25.2539 -25.2533 -25.2533 -17.5342 -17.5342 -17.5331 -17.5331 -17.5279 -17.5279 -17.5233 -17.5233 -1.9758 -1.9758 -0.7715 -0.7715 0.8874 0.8874 5.4644 5.4644 7.0091 7.0091 8.0680 8.0680 8.6752 8.6752 8.7868 8.7868 8.8289 8.8289 9.1584 9.1584 9.3780 9.3780 9.4068 9.4068 10.3986 10.3986 11.0263 11.0263 11.9223 11.9223 12.1254 12.1254 13.1240 13.1240 13.1567 13.1567 k = 0.0000 0.0122 0.2276 ( 4812 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2540 -25.2540 -25.2533 -25.2533 -17.5344 -17.5344 -17.5332 -17.5332 -17.5279 -17.5279 -17.5233 -17.5233 -1.9745 -1.9745 -0.7701 -0.7701 0.8877 0.8877 5.4659 5.4659 6.9989 6.9989 8.0603 8.0603 8.6585 8.6585 8.7900 8.7900 8.8326 8.8326 9.1715 9.1715 9.3818 9.3818 9.4085 9.4085 10.3983 10.3983 11.0219 11.0219 11.9207 11.9207 12.1335 12.1335 13.1073 13.1073 13.1625 13.1625 k = 0.0000 0.0244 0.2276 ( 4822 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2541 -25.2541 -25.2534 -25.2534 -17.5346 -17.5346 -17.5334 -17.5334 -17.5279 -17.5279 -17.5233 -17.5233 -1.9707 -1.9707 -0.7658 -0.7658 0.8887 0.8887 5.4706 5.4706 6.9687 6.9687 8.0366 8.0366 8.6177 8.6177 8.7985 8.7985 8.8441 8.8441 9.1987 9.1987 9.3844 9.3844 9.4260 9.4260 10.3974 10.3974 11.0092 11.0092 11.9161 11.9161 12.1571 12.1571 13.0726 13.0726 13.1739 13.1739 k = 0.0000 0.0366 0.2276 ( 4820 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2541 -25.2541 -25.2534 -25.2534 -17.5350 -17.5350 -17.5337 -17.5337 -17.5279 -17.5279 -17.5233 -17.5233 -1.9643 -1.9643 -0.7587 -0.7587 0.8902 0.8902 5.4783 5.4783 6.9200 6.9200 7.9953 7.9953 8.5688 8.5688 8.8097 8.8097 8.8646 8.8646 9.2182 9.2182 9.3794 9.3794 9.4732 9.4732 10.3964 10.3964 10.9894 10.9894 11.9087 11.9087 12.1947 12.1947 13.0313 13.0313 13.1895 13.1895 k = 0.0000 0.0488 0.2276 ( 4820 PWs) bands (ev): -50.9402 -50.9402 -50.9401 -50.9401 -25.2542 -25.2542 -25.2535 -25.2535 -17.5354 -17.5354 -17.5342 -17.5342 -17.5279 -17.5279 -17.5233 -17.5233 -1.9554 -1.9554 -0.7488 -0.7488 0.8924 0.8924 5.4891 5.4891 6.8545 6.8545 7.9355 7.9355 8.5236 8.5236 8.8221 8.8221 8.8939 8.8939 9.2177 9.2177 9.3742 9.3742 9.5439 9.5439 10.3958 10.3958 10.9645 10.9645 11.8988 11.8988 12.2441 12.2441 12.9871 12.9871 13.2079 13.2079 k = 0.0000 0.0610 0.2276 ( 4814 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2543 -25.2543 -25.2535 -25.2535 -17.5360 -17.5360 -17.5347 -17.5347 -17.5279 -17.5279 -17.5233 -17.5233 -1.9440 -1.9440 -0.7361 -0.7361 0.8951 0.8951 5.5028 5.5028 6.7746 6.7746 7.8579 7.8579 8.4874 8.4874 8.8356 8.8356 8.9305 8.9305 9.1964 9.1964 9.3731 9.3731 9.6278 9.6278 10.3960 10.3960 10.9366 10.9366 11.8866 11.8866 12.3032 12.3032 12.9417 12.9417 13.2256 13.2256 k = 0.0000 0.0732 0.2276 ( 4816 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2544 -25.2544 -25.2537 -25.2537 -17.5368 -17.5368 -17.5355 -17.5355 -17.5278 -17.5278 -17.5233 -17.5233 -1.9300 -1.9300 -0.7206 -0.7206 0.8984 0.8984 5.5195 5.5195 6.6823 6.6823 7.7656 7.7656 8.4606 8.4606 8.8508 8.8508 8.9724 8.9724 9.1576 9.1576 9.3765 9.3765 9.7169 9.7169 10.3974 10.3974 10.9080 10.9080 11.8721 11.8721 12.3699 12.3699 12.8960 12.8960 13.2381 13.2381 k = 0.0000 0.0854 0.2276 ( 4814 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2546 -25.2546 -25.2538 -25.2538 -17.5377 -17.5377 -17.5364 -17.5364 -17.5277 -17.5277 -17.5232 -17.5232 -1.9135 -1.9135 -0.7024 -0.7024 0.9021 0.9021 5.5390 5.5390 6.5799 6.5799 7.6623 7.6623 8.4418 8.4418 8.8679 8.8679 9.0178 9.0178 9.1051 9.1051 9.3832 9.3832 9.8059 9.8059 10.4002 10.4002 10.8807 10.8807 11.8556 11.8556 12.4422 12.4422 12.8508 12.8508 13.2420 13.2420 k = 0.0000 0.0976 0.2276 ( 4816 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2548 -25.2548 -25.2540 -25.2540 -17.5389 -17.5389 -17.5374 -17.5374 -17.5276 -17.5276 -17.5232 -17.5232 -1.8946 -1.8946 -0.6815 -0.6815 0.9063 0.9063 5.5611 5.5611 6.4691 6.4691 7.5515 7.5515 8.4287 8.4287 8.8869 8.8869 9.0402 9.0402 9.0673 9.0673 9.3920 9.3920 9.8909 9.8909 10.4045 10.4045 10.8571 10.8571 11.8373 11.8373 12.5182 12.5182 12.8070 12.8070 13.2371 13.2371 k = 0.0000 0.1098 0.2276 ( 4814 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2550 -25.2550 -25.2541 -25.2541 -17.5401 -17.5401 -17.5386 -17.5386 -17.5274 -17.5274 -17.5230 -17.5230 -1.8731 -1.8731 -0.6580 -0.6580 0.9109 0.9109 5.5854 5.5854 6.3520 6.3520 7.4361 7.4361 8.4193 8.4193 8.9070 8.9070 8.9699 8.9699 9.1161 9.1161 9.4019 9.4019 9.9681 9.9681 10.4112 10.4112 10.8391 10.8391 11.8175 11.8175 12.5952 12.5952 12.7662 12.7662 13.2250 13.2250 k = 0.0000 0.1220 0.2276 ( 4806 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2551 -25.2551 -25.2543 -25.2543 -17.5414 -17.5414 -17.5399 -17.5399 -17.5271 -17.5271 -17.5229 -17.5229 -1.8493 -1.8493 -0.6319 -0.6319 0.9158 0.9158 5.6113 5.6113 6.2304 6.2304 7.3182 7.3182 8.4118 8.4118 8.8855 8.8855 8.9357 8.9357 9.1667 9.1667 9.4123 9.4123 10.0330 10.0330 10.4224 10.4224 10.8284 10.8284 11.7967 11.7967 12.6618 12.6618 12.7390 12.7390 13.2076 13.2076 k = 0.0000 0.1341 0.2276 ( 4796 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2552 -25.2552 -25.2545 -25.2545 -17.5428 -17.5428 -17.5413 -17.5413 -17.5268 -17.5268 -17.5227 -17.5227 -1.8231 -1.8231 -0.6034 -0.6034 0.9210 0.9210 5.6371 5.6371 6.1070 6.1070 7.1994 7.1994 8.4043 8.4043 8.8039 8.8039 8.9593 8.9593 9.2181 9.2181 9.4226 9.4226 10.0806 10.0806 10.4414 10.4414 10.8260 10.8260 11.7754 11.7754 12.6631 12.6631 12.7794 12.7794 13.1865 13.1865 k = 0.0000 0.1463 0.2276 ( 4792 PWs) bands (ev): -50.9399 -50.9399 -50.9399 -50.9399 -25.2554 -25.2554 -25.2548 -25.2548 -17.5444 -17.5444 -17.5429 -17.5429 -17.5264 -17.5264 -17.5225 -17.5225 -1.7945 -1.7945 -0.5724 -0.5724 0.9265 0.9265 5.6581 5.6581 5.9874 5.9874 7.0808 7.0808 8.3936 8.3936 8.7198 8.7198 8.9863 8.9863 9.2700 9.2700 9.4322 9.4322 10.1072 10.1072 10.4712 10.4712 10.8321 10.8321 11.7543 11.7543 12.6303 12.6303 12.8552 12.8552 13.1630 13.1630 k = 0.0000 0.1585 0.2276 ( 4792 PWs) bands (ev): -50.9399 -50.9399 -50.9399 -50.9399 -25.2557 -25.2557 -25.2551 -25.2551 -17.5461 -17.5461 -17.5446 -17.5446 -17.5261 -17.5261 -17.5223 -17.5223 -1.7635 -1.7635 -0.5392 -0.5392 0.9321 0.9321 5.6578 5.6578 5.8887 5.8887 6.9636 6.9636 8.3744 8.3744 8.6408 8.6408 9.0152 9.0152 9.3221 9.3221 9.4405 9.4405 10.1135 10.1135 10.5111 10.5111 10.8462 10.8462 11.7343 11.7343 12.5954 12.5954 12.9333 12.9333 13.1388 13.1388 k = 0.0000 0.1707 0.2276 ( 4796 PWs) bands (ev): -50.9399 -50.9399 -50.9398 -50.9398 -25.2559 -25.2559 -25.2554 -25.2554 -17.5479 -17.5479 -17.5465 -17.5465 -17.5257 -17.5257 -17.5220 -17.5220 -1.7303 -1.7303 -0.5039 -0.5039 0.9378 0.9378 5.5998 5.5998 5.8481 5.8481 6.8486 6.8486 8.3368 8.3368 8.5772 8.5772 9.0454 9.0454 9.3743 9.3743 9.4470 9.4470 10.1040 10.1040 10.5570 10.5570 10.8673 10.8673 11.7161 11.7161 12.5616 12.5616 13.0065 13.0065 13.1182 13.1182 k = 0.0000 0.1829 0.2276 ( 4796 PWs) bands (ev): -50.9398 -50.9398 -50.9398 -50.9398 -25.2562 -25.2562 -25.2557 -25.2557 -17.5498 -17.5498 -17.5484 -17.5484 -17.5253 -17.5253 -17.5217 -17.5217 -1.6949 -1.6949 -0.4665 -0.4665 0.9436 0.9436 5.4887 5.4887 5.8612 5.8612 6.7365 6.7365 8.2729 8.2729 8.5378 8.5378 9.0767 9.0767 9.4265 9.4265 9.4513 9.4513 10.0841 10.0841 10.6043 10.6043 10.8941 10.8941 11.7010 11.7010 12.5297 12.5297 13.0498 13.0498 13.1260 13.1260 k = 0.0000 0.1951 0.2276 ( 4806 PWs) bands (ev): -50.9398 -50.9398 -50.9398 -50.9398 -25.2565 -25.2565 -25.2560 -25.2560 -17.5518 -17.5518 -17.5504 -17.5504 -17.5249 -17.5249 -17.5215 -17.5215 -1.6572 -1.6572 -0.4274 -0.4274 0.9495 0.9495 5.3576 5.3576 5.8951 5.8951 6.6282 6.6282 8.1865 8.1865 8.5192 8.5192 9.1083 9.1083 9.4523 9.4523 9.4791 9.4791 10.0582 10.0582 10.6496 10.6496 10.9257 10.9257 11.6900 11.6900 12.5000 12.5000 13.0408 13.0408 13.1851 13.1851 k = 0.0000 0.2073 0.2276 ( 4808 PWs) bands (ev): -50.9397 -50.9397 -50.9397 -50.9397 -25.2569 -25.2569 -25.2563 -25.2563 -17.5538 -17.5538 -17.5524 -17.5524 -17.5245 -17.5245 -17.5212 -17.5212 -1.6174 -1.6174 -0.3866 -0.3866 0.9554 0.9554 5.2194 5.2194 5.9372 5.9372 6.5245 6.5245 8.0870 8.0870 8.5127 8.5127 9.1395 9.1395 9.4506 9.4506 9.5310 9.5310 10.0295 10.0295 10.6906 10.6906 10.9608 10.9608 11.6843 11.6843 12.4725 12.4725 13.0204 13.0204 13.2551 13.2551 k = 0.0000 0.2195 0.2276 ( 4812 PWs) bands (ev): -50.9397 -50.9397 -50.9397 -50.9397 -25.2572 -25.2572 -25.2566 -25.2566 -17.5560 -17.5560 -17.5545 -17.5545 -17.5241 -17.5241 -17.5208 -17.5208 -1.5756 -1.5756 -0.3446 -0.3446 0.9616 0.9616 5.0779 5.0779 5.9827 5.9827 6.4270 6.4270 7.9805 7.9805 8.5126 8.5126 9.1689 9.1689 9.4457 9.4457 9.5827 9.5827 10.0002 10.0002 10.7259 10.7259 10.9987 10.9987 11.6849 11.6849 12.4472 12.4472 13.0006 13.0006 13.3250 13.3250 k = 0.0000 0.2317 0.2276 ( 4810 PWs) bands (ev): -50.9396 -50.9396 -50.9396 -50.9396 -25.2575 -25.2575 -25.2570 -25.2570 -17.5580 -17.5580 -17.5566 -17.5566 -17.5236 -17.5236 -17.5205 -17.5205 -1.5317 -1.5317 -0.3016 -0.3016 0.9679 0.9679 4.9348 4.9348 6.0278 6.0278 6.3385 6.3385 7.8702 7.8702 8.5161 8.5161 9.1948 9.1948 9.4380 9.4380 9.6338 9.6338 9.9724 9.9724 10.7548 10.7548 11.0389 11.0389 11.6926 11.6926 12.4240 12.4240 12.9839 12.9839 13.3930 13.3930 k = 0.0000 0.2439 0.2276 ( 4812 PWs) bands (ev): -50.9396 -50.9396 -50.9396 -50.9396 -25.2578 -25.2578 -25.2573 -25.2573 -17.5601 -17.5601 -17.5587 -17.5587 -17.5232 -17.5232 -17.5202 -17.5202 -1.4859 -1.4859 -0.2581 -0.2581 0.9747 0.9747 4.7910 4.7910 6.0630 6.0630 6.2685 6.2685 7.7579 7.7579 8.5218 8.5218 9.2146 9.2146 9.4284 9.4284 9.6843 9.6843 9.9479 9.9479 10.7768 10.7768 11.0812 11.0812 11.7078 11.7078 12.4027 12.4027 12.9718 12.9718 13.4530 13.4530 k = 0.0000 0.2561 0.2276 ( 4824 PWs) bands (ev): -50.9396 -50.9396 -50.9395 -50.9395 -25.2581 -25.2581 -25.2578 -25.2578 -17.5622 -17.5622 -17.5609 -17.5609 -17.5228 -17.5228 -17.5200 -17.5200 -1.4382 -1.4382 -0.2145 -0.2145 0.9822 0.9822 4.6470 4.6470 6.0620 6.0620 6.2432 6.2432 7.6448 7.6448 8.5291 8.5291 9.2252 9.2252 9.4182 9.4182 9.7339 9.7339 9.9290 9.9290 10.7919 10.7919 11.1257 11.1257 11.7302 11.7302 12.3829 12.3829 12.9651 12.9651 13.4087 13.4087 k = 0.0000 0.2683 0.2276 ( 4832 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2585 -25.2585 -25.2581 -25.2581 -17.5644 -17.5644 -17.5631 -17.5631 -17.5223 -17.5223 -17.5196 -17.5196 -1.3887 -1.3887 -0.1713 -0.1713 0.9907 0.9907 4.5032 4.5032 6.0153 6.0153 6.2723 6.2723 7.5315 7.5315 8.5375 8.5375 9.2234 9.2234 9.4082 9.4082 9.7825 9.7825 9.9177 9.9177 10.8003 10.8003 11.1728 11.1728 11.7593 11.7593 12.3641 12.3641 12.9646 12.9646 13.3535 13.3535 k = 0.0000 0.2805 0.2276 ( 4828 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2588 -25.2588 -25.2584 -25.2584 -17.5665 -17.5665 -17.5652 -17.5652 -17.5219 -17.5219 -17.5192 -17.5192 -1.3375 -1.3375 -0.1294 -0.1294 1.0008 1.0008 4.3598 4.3598 5.9529 5.9529 6.3259 6.3259 7.4186 7.4186 8.5469 8.5469 9.2082 9.2082 9.3975 9.3975 9.8298 9.8298 9.9163 9.9163 10.8028 10.8028 11.2226 11.2226 11.7942 11.7942 12.3456 12.3456 12.9705 12.9705 13.2970 13.2970 k = 0.0000 0.2927 0.2276 ( 4826 PWs) bands (ev): -50.9394 -50.9394 -50.9394 -50.9394 -25.2591 -25.2591 -25.2587 -25.2587 -17.5685 -17.5685 -17.5673 -17.5673 -17.5214 -17.5214 -17.5189 -17.5189 -1.2847 -1.2847 -0.0895 -0.0895 1.0130 1.0130 4.2172 4.2172 5.8902 5.8902 6.3887 6.3887 7.3067 7.3067 8.5571 8.5571 9.1807 9.1807 9.3836 9.3836 9.8756 9.8756 9.9264 9.9264 10.8001 10.8001 11.2755 11.2755 11.8338 11.8338 12.3265 12.3265 12.9828 12.9828 13.2418 13.2418 k = 0.0000 0.3049 0.2276 ( 4834 PWs) bands (ev): -50.9394 -50.9394 -50.9394 -50.9394 -25.2594 -25.2594 -25.2591 -25.2591 -17.5705 -17.5705 -17.5694 -17.5694 -17.5210 -17.5210 -17.5186 -17.5186 -1.2304 -1.2304 -0.0525 -0.0525 1.0282 1.0282 4.0755 4.0755 5.8315 5.8315 6.4566 6.4566 7.1961 7.1961 8.5679 8.5679 9.1427 9.1427 9.3645 9.3645 9.9195 9.9195 9.9487 9.9487 10.7932 10.7932 11.3314 11.3314 11.8770 11.8770 12.3057 12.3057 13.0003 13.0003 13.1911 13.1911 k = 0.0000 0.3171 0.2276 ( 4828 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2596 -25.2596 -25.2593 -25.2593 -17.5724 -17.5724 -17.5713 -17.5713 -17.5205 -17.5205 -17.5183 -17.5183 -1.1746 -1.1746 -0.0194 -0.0194 1.0470 1.0470 3.9349 3.9349 5.7784 5.7784 6.5280 6.5280 7.0873 7.0873 8.5795 8.5795 9.0962 9.0962 9.3396 9.3396 9.9609 9.9609 9.9828 9.9828 10.7828 10.7828 11.3905 11.3905 11.9224 11.9224 12.2817 12.2817 13.0180 13.0180 13.1520 13.1520 k = 0.0000 0.3293 0.2276 ( 4824 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2599 -25.2599 -25.2596 -25.2596 -17.5742 -17.5742 -17.5732 -17.5732 -17.5200 -17.5200 -17.5180 -17.5180 -1.1176 -1.1176 0.0087 0.0087 1.0705 1.0705 3.7956 3.7956 5.7318 5.7318 6.6018 6.6018 6.9809 6.9809 8.5917 8.5917 9.0423 9.0423 9.3096 9.3096 10.0001 10.0001 10.0266 10.0266 10.7698 10.7698 11.4526 11.4526 11.9686 11.9686 12.2534 12.2534 13.0229 13.0229 13.1399 13.1399 k = 0.0000 0.3415 0.2276 ( 4826 PWs) bands (ev): -50.9393 -50.9393 -50.9392 -50.9392 -25.2602 -25.2602 -25.2599 -25.2599 -17.5761 -17.5761 -17.5751 -17.5751 -17.5196 -17.5196 -17.5177 -17.5177 -1.0594 -1.0594 0.0308 0.0308 1.0996 1.0996 3.6577 3.6577 5.6920 5.6920 6.6764 6.6764 6.8786 6.8786 8.6046 8.6046 8.9817 8.9817 9.2760 9.2760 10.0381 10.0381 10.0774 10.0774 10.7550 10.7550 11.5174 11.5174 12.0132 12.0132 12.2207 12.2207 13.0082 13.0082 13.1634 13.1634 k = 0.0000 0.3537 0.2276 ( 4814 PWs) bands (ev): -50.9392 -50.9392 -50.9392 -50.9392 -25.2603 -25.2603 -25.2601 -25.2601 -17.5777 -17.5777 -17.5768 -17.5768 -17.5192 -17.5192 -17.5174 -17.5174 -1.0003 -1.0003 0.0462 0.0462 1.1349 1.1349 3.5213 3.5213 5.6592 5.6592 6.7309 6.7309 6.8011 6.8011 8.6181 8.6181 8.9152 8.9152 9.2401 9.2401 10.0747 10.0747 10.1337 10.1337 10.7391 10.7391 11.5848 11.5848 12.0502 12.0502 12.1875 12.1875 12.9893 12.9893 13.2086 13.2086 k = 0.0000 0.3659 0.2276 ( 4810 PWs) bands (ev): -50.9392 -50.9392 -50.9392 -50.9392 -25.2606 -25.2606 -25.2603 -25.2603 -17.5793 -17.5793 -17.5785 -17.5785 -17.5188 -17.5188 -17.5171 -17.5171 -0.9402 -0.9402 0.0542 0.0542 1.1771 1.1771 3.3867 3.3867 5.6337 5.6337 6.6628 6.6628 6.8513 6.8513 8.6323 8.6323 8.8432 8.8432 9.2032 9.2032 10.1096 10.1096 10.1942 10.1942 10.7228 10.7228 11.6542 11.6542 12.0584 12.0584 12.1735 12.1735 12.9763 12.9763 13.2658 13.2658 k = 0.0000 0.3780 0.2276 ( 4816 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2609 -25.2609 -25.2606 -25.2606 -17.5809 -17.5809 -17.5800 -17.5800 -17.5184 -17.5184 -17.5169 -17.5169 -0.8794 -0.8794 0.0546 0.0546 1.2265 1.2265 3.2539 3.2539 5.6155 5.6155 6.5690 6.5690 6.9322 6.9322 8.6472 8.6472 8.7664 8.7664 9.1660 9.1660 10.1427 10.1427 10.2574 10.2574 10.7075 10.7075 11.7251 11.7251 12.0204 12.0204 12.1958 12.1958 12.9725 12.9725 13.3314 13.3314 k = 0.0000 0.3902 0.2276 ( 4816 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2611 -25.2611 -25.2608 -25.2608 -17.5822 -17.5822 -17.5815 -17.5815 -17.5181 -17.5181 -17.5167 -17.5167 -0.8181 -0.8181 0.0473 0.0473 1.2830 1.2830 3.1230 3.1230 5.6045 5.6045 6.4762 6.4762 7.0171 7.0171 8.6624 8.6624 8.6858 8.6858 9.1291 9.1291 10.1742 10.1742 10.3210 10.3210 10.6948 10.6948 11.7962 11.7962 11.9590 11.9590 12.2319 12.2319 12.9783 12.9783 13.4038 13.4038 k = 0.0000 0.4024 0.2276 ( 4812 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2612 -25.2612 -25.2610 -25.2610 -17.5835 -17.5835 -17.5827 -17.5827 -17.5178 -17.5178 -17.5165 -17.5165 -0.7565 -0.7565 0.0328 0.0328 1.3464 1.3464 2.9942 2.9942 5.6008 5.6008 6.3862 6.3862 7.1044 7.1044 8.6001 8.6001 8.6798 8.6798 9.0931 9.0931 10.2042 10.2042 10.3815 10.3815 10.6881 10.6881 11.8563 11.8563 11.8978 11.8978 12.2691 12.2691 12.9933 12.9933 13.4818 13.4818 k = 0.0000 0.4146 0.2276 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2614 -25.2614 -25.2611 -25.2611 -17.5846 -17.5846 -17.5839 -17.5839 -17.5175 -17.5175 -17.5163 -17.5163 -0.6948 -0.6948 0.0113 0.0113 1.4165 1.4165 2.8676 2.8676 5.6043 5.6043 6.2998 6.2998 7.1936 7.1936 8.5124 8.5124 8.6971 8.6971 9.0580 9.0580 10.2327 10.2327 10.4325 10.4325 10.6935 10.6935 11.7994 11.7994 11.9461 11.9461 12.3033 12.3033 13.0166 13.0166 13.5642 13.5642 k = 0.0000 0.4268 0.2276 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2615 -25.2615 -25.2613 -25.2613 -17.5855 -17.5855 -17.5850 -17.5850 -17.5172 -17.5172 -17.5162 -17.5162 -0.6331 -0.6331 -0.0164 -0.0164 1.4927 1.4927 2.7433 2.7433 5.6148 5.6148 6.2171 6.2171 7.2843 7.2843 8.4220 8.4220 8.7154 8.7154 9.0241 9.0241 10.2601 10.2601 10.4657 10.4657 10.7191 10.7191 11.7156 11.7156 12.0150 12.0150 12.3324 12.3324 13.0473 13.0473 13.6489 13.6489 k = 0.0000 0.4390 0.2276 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2616 -25.2616 -25.2614 -25.2614 -17.5863 -17.5863 -17.5858 -17.5858 -17.5169 -17.5169 -17.5161 -17.5161 -0.5718 -0.5718 -0.0498 -0.0498 1.5745 1.5745 2.6214 2.6214 5.6321 5.6321 6.1385 6.1385 7.3765 7.3765 8.3296 8.3296 8.7347 8.7347 8.9914 8.9914 10.2864 10.2864 10.4778 10.4778 10.7679 10.7679 11.6277 11.6277 12.0822 12.0822 12.3549 12.3549 13.0846 13.0846 13.6895 13.6895 k = 0.0000 0.4512 0.2276 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2617 -25.2617 -25.2615 -25.2615 -17.5870 -17.5870 -17.5866 -17.5866 -17.5167 -17.5167 -17.5161 -17.5161 -0.5110 -0.5110 -0.0882 -0.0882 1.6616 1.6616 2.5021 2.5021 5.6563 5.6563 6.0642 6.0642 7.4699 7.4699 8.2356 8.2356 8.7550 8.7550 8.9600 8.9600 10.3118 10.3118 10.4744 10.4744 10.8342 10.8342 11.5373 11.5373 12.1456 12.1456 12.3697 12.3697 13.1278 13.1278 13.6217 13.6217 k = 0.0000 0.4634 0.2276 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2617 -25.2617 -25.2617 -25.2617 -17.5875 -17.5875 -17.5872 -17.5872 -17.5165 -17.5165 -17.5161 -17.5161 -0.4512 -0.4512 -0.1310 -0.1310 1.7534 1.7534 2.3855 2.3855 5.6869 5.6869 5.9945 5.9945 7.5643 7.5643 8.1405 8.1405 8.7764 8.7764 8.9299 8.9299 10.3363 10.3363 10.4623 10.4623 10.9111 10.9111 11.4457 11.4457 12.2037 12.2037 12.3755 12.3755 13.1764 13.1764 13.5505 13.5505 k = 0.0000 0.4756 0.2276 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5877 -17.5877 -17.5164 -17.5164 -17.5161 -17.5161 -0.3926 -0.3926 -0.1777 -0.1777 1.8496 1.8496 2.2718 2.2718 5.7238 5.7238 5.9297 5.9297 7.6596 7.6596 8.0446 8.0446 8.7989 8.7989 8.9012 8.9012 10.3601 10.3601 10.4456 10.4456 10.9941 10.9941 11.3535 11.3535 12.2552 12.2552 12.3716 12.3716 13.2296 13.2296 13.4807 13.4807 k = 0.0000 0.4878 0.2276 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5162 -17.5162 -17.5161 -17.5161 -0.3355 -0.3355 -0.2277 -0.2277 1.9498 1.9498 2.1611 2.1611 5.7668 5.7668 5.8699 5.8699 7.7555 7.7555 7.9482 7.9482 8.8226 8.8226 8.8737 8.8737 10.3831 10.3831 10.4262 10.4262 11.0811 11.0811 11.2616 11.2616 12.2986 12.2986 12.3574 12.3574 13.2872 13.2872 13.4132 13.4132 k = 0.0000 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5881 -17.5881 -17.5881 -17.5881 -17.5161 -17.5161 -17.5161 -17.5161 -0.2804 -0.2804 -0.2804 -0.2804 2.0537 2.0537 2.0537 2.0537 5.8156 5.8156 5.8156 5.8156 7.8518 7.8518 7.8518 7.8518 8.8475 8.8475 8.8475 8.8475 10.4052 10.4052 10.4052 10.4052 11.1705 11.1705 11.1705 11.1705 12.3330 12.3330 12.3330 12.3330 13.3485 13.3485 13.3485 13.3485 k = 0.0000 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5881 -17.5881 -17.5881 -17.5881 -17.5161 -17.5161 -17.5161 -17.5161 -0.2804 -0.2804 -0.2804 -0.2804 2.0537 2.0537 2.0537 2.0537 5.8156 5.8156 5.8156 5.8156 7.8518 7.8518 7.8518 7.8518 8.8475 8.8475 8.8475 8.8475 10.4052 10.4052 10.4052 10.4052 11.1705 11.1705 11.1705 11.1705 12.3330 12.3330 12.3330 12.3330 13.3485 13.3485 13.3485 13.3485 k = 0.0122 0.5000 0.2276 ( 4816 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5881 -17.5881 -17.5881 -17.5881 -17.5162 -17.5162 -17.5162 -17.5162 -0.2799 -0.2799 -0.2798 -0.2798 2.0538 2.0538 2.0563 2.0563 5.8156 5.8156 5.8165 5.8165 7.8432 7.8432 7.8602 7.8602 8.8289 8.8289 8.8603 8.8603 10.3815 10.3815 10.4140 10.4140 11.1363 11.1363 11.1862 11.1862 12.3346 12.3346 12.3458 12.3458 13.3385 13.3385 13.3551 13.3551 k = 0.0244 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2619 -25.2619 -25.2619 -25.2619 -17.5881 -17.5881 -17.5881 -17.5881 -17.5164 -17.5164 -17.5163 -17.5163 -0.2782 -0.2782 -0.2780 -0.2780 2.0566 2.0566 2.0615 2.0615 5.8166 5.8166 5.8184 5.8184 7.8347 7.8347 7.8686 7.8686 8.8044 8.8044 8.8670 8.8670 10.3435 10.3435 10.4074 10.4074 11.0862 11.0862 11.1828 11.1828 12.3504 12.3504 12.3712 12.3712 13.3273 13.3273 13.3578 13.3578 k = 0.0366 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2619 -25.2619 -25.2619 -25.2619 -17.5882 -17.5882 -17.5881 -17.5881 -17.5166 -17.5166 -17.5165 -17.5165 -0.2752 -0.2752 -0.2749 -0.2749 2.0621 2.0621 2.0694 2.0694 5.8186 5.8186 5.8211 5.8211 7.8260 7.8260 7.8768 7.8768 8.7743 8.7743 8.8679 8.8679 10.2917 10.2917 10.3845 10.3845 11.0245 11.0245 11.1621 11.1621 12.3774 12.3774 12.4056 12.4056 13.3181 13.3181 13.3583 13.3583 k = 0.0488 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2620 -25.2620 -25.2620 -25.2620 -17.5883 -17.5883 -17.5882 -17.5882 -17.5169 -17.5169 -17.5168 -17.5168 -0.2712 -0.2712 -0.2708 -0.2708 2.0702 2.0702 2.0800 2.0800 5.8216 5.8216 5.8245 5.8245 7.8174 7.8174 7.8848 7.8848 8.7391 8.7391 8.8633 8.8633 10.2269 10.2269 10.3447 10.3447 10.9557 10.9557 11.1272 11.1272 12.4113 12.4113 12.4447 12.4447 13.3144 13.3144 13.3595 13.3595 k = 0.0610 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2621 -25.2621 -25.2621 -25.2621 -17.5884 -17.5884 -17.5882 -17.5882 -17.5173 -17.5173 -17.5172 -17.5172 -0.2659 -0.2659 -0.2655 -0.2655 2.0809 2.0809 2.0931 2.0931 5.8254 5.8254 5.8285 5.8285 7.8089 7.8089 7.8924 7.8924 8.6994 8.6994 8.8536 8.8536 10.1501 10.1501 10.2877 10.2877 10.8841 10.8841 11.0814 11.0814 12.4476 12.4476 12.4849 12.4849 13.3196 13.3196 13.3647 13.3647 k = 0.0732 0.5000 0.2276 ( 4800 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2622 -25.2622 -25.2621 -25.2621 -17.5885 -17.5885 -17.5883 -17.5883 -17.5178 -17.5178 -17.5177 -17.5177 -0.2596 -0.2596 -0.2590 -0.2590 2.0943 2.0943 2.1089 2.1089 5.8299 5.8299 5.8328 5.8328 7.8004 7.8004 7.8996 7.8996 8.6557 8.6557 8.8391 8.8391 10.0624 10.0624 10.2136 10.2136 10.8125 10.8125 11.0274 11.0274 12.4826 12.4826 12.5229 12.5229 13.3357 13.3357 13.3770 13.3770 k = 0.0854 0.5000 0.2276 ( 4804 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2623 -25.2623 -25.2623 -25.2623 -17.5886 -17.5886 -17.5884 -17.5884 -17.5184 -17.5184 -17.5183 -17.5183 -0.2521 -0.2521 -0.2514 -0.2514 2.1104 2.1104 2.1273 2.1273 5.8350 5.8350 5.8374 5.8374 7.7921 7.7921 7.9061 7.9061 8.6088 8.6088 8.8205 8.8205 9.9651 9.9651 10.1241 10.1241 10.7425 10.7425 10.9676 10.9676 12.5141 12.5141 12.5568 12.5568 13.3634 13.3634 13.3981 13.3981 k = 0.0976 0.5000 0.2276 ( 4800 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2625 -25.2625 -25.2624 -25.2624 -17.5887 -17.5887 -17.5885 -17.5885 -17.5190 -17.5190 -17.5189 -17.5189 -0.2436 -0.2436 -0.2428 -0.2428 2.1290 2.1290 2.1482 2.1482 5.8405 5.8405 5.8418 5.8418 7.7840 7.7840 7.9118 7.9118 8.5595 8.5595 8.7983 8.7983 9.8598 9.8598 10.0214 10.0214 10.6741 10.6741 10.9034 10.9034 12.5414 12.5414 12.5859 12.5859 13.4018 13.4018 13.4286 13.4286 k = 0.1098 0.5000 0.2276 ( 4804 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2626 -25.2626 -25.2626 -25.2626 -17.5889 -17.5889 -17.5887 -17.5887 -17.5197 -17.5197 -17.5196 -17.5196 -0.2340 -0.2340 -0.2331 -0.2331 2.1502 2.1502 2.1717 2.1717 5.8458 5.8458 5.8462 5.8462 7.7762 7.7762 7.9163 7.9163 8.5086 8.5086 8.7728 8.7728 9.7481 9.7481 9.9083 9.9083 10.6071 10.6071 10.8360 10.8360 12.5652 12.5652 12.6106 12.6106 13.4490 13.4490 13.4672 13.4672 k = 0.1220 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2629 -25.2629 -25.2628 -25.2628 -17.5892 -17.5892 -17.5889 -17.5889 -17.5205 -17.5205 -17.5203 -17.5203 -0.2234 -0.2234 -0.2224 -0.2224 2.1740 2.1740 2.1976 2.1976 5.8492 5.8492 5.8518 5.8518 7.7688 7.7688 7.9193 7.9193 8.4568 8.4568 8.7446 8.7446 9.6317 9.6317 9.7877 9.7877 10.5406 10.5406 10.7663 10.7663 12.5867 12.5867 12.6320 12.6320 13.5024 13.5024 13.5122 13.5122 k = 0.1341 0.5000 0.2276 ( 4820 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2631 -25.2631 -25.2631 -25.2631 -17.5895 -17.5895 -17.5892 -17.5892 -17.5213 -17.5213 -17.5211 -17.5211 -0.2118 -0.2118 -0.2108 -0.2108 2.2003 2.2003 2.2260 2.2260 5.8516 5.8516 5.8571 5.8571 7.7621 7.7621 7.9203 7.9203 8.4049 8.4049 8.7137 8.7137 9.5125 9.5125 9.6624 9.6624 10.4742 10.4742 10.6949 10.6949 12.6071 12.6071 12.6517 12.6517 13.5593 13.5593 13.5610 13.5610 k = 0.1463 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2633 -25.2633 -25.2633 -25.2633 -17.5897 -17.5897 -17.5894 -17.5894 -17.5221 -17.5221 -17.5219 -17.5219 -0.1994 -0.1994 -0.1982 -0.1982 2.2291 2.2291 2.2569 2.2569 5.8527 5.8527 5.8617 5.8617 7.7561 7.7561 7.9187 7.9187 8.3534 8.3534 8.6800 8.6800 9.3923 9.3923 9.5351 9.5351 10.4076 10.4076 10.6223 10.6223 12.6279 12.6279 12.6708 12.6708 13.6116 13.6116 13.6171 13.6171 k = 0.1585 0.5000 0.2276 ( 4804 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2635 -25.2635 -25.2634 -25.2634 -17.5901 -17.5901 -17.5897 -17.5897 -17.5229 -17.5229 -17.5227 -17.5227 -0.1860 -0.1860 -0.1848 -0.1848 2.2603 2.2603 2.2900 2.2900 5.8522 5.8522 5.8654 5.8654 7.7510 7.7510 7.9140 7.9140 8.3025 8.3025 8.6430 8.6430 9.2733 9.2733 9.4084 9.4084 10.3407 10.3407 10.5491 10.5491 12.6497 12.6497 12.6905 12.6905 13.6617 13.6617 13.6740 13.6740 k = 0.1707 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2638 -25.2638 -25.2637 -25.2637 -17.5905 -17.5905 -17.5901 -17.5901 -17.5237 -17.5237 -17.5235 -17.5235 -0.1719 -0.1719 -0.1706 -0.1706 2.2938 2.2938 2.3255 2.3255 5.8497 5.8497 5.8679 5.8679 7.7468 7.7468 7.9057 7.9057 8.2518 8.2518 8.6012 8.6012 9.1580 9.1580 9.2854 9.2854 10.2735 10.2735 10.4755 10.4755 12.6734 12.6734 12.7114 12.7114 13.7097 13.7097 13.7283 13.7283 k = 0.1829 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2640 -25.2640 -25.2640 -25.2640 -17.5909 -17.5909 -17.5906 -17.5906 -17.5246 -17.5246 -17.5244 -17.5244 -0.1570 -0.1570 -0.1557 -0.1557 2.3297 2.3297 2.3631 2.3631 5.8451 5.8451 5.8687 5.8687 7.7437 7.7437 7.8935 7.8935 8.2003 8.2003 8.5529 8.5529 9.0493 9.0493 9.1698 9.1698 10.2064 10.2064 10.4021 10.4021 12.6992 12.6992 12.7341 12.7341 13.7546 13.7546 13.7788 13.7788 k = 0.1951 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2643 -25.2643 -25.2642 -25.2642 -17.5914 -17.5914 -17.5911 -17.5911 -17.5254 -17.5254 -17.5252 -17.5252 -0.1414 -0.1414 -0.1400 -0.1400 2.3678 2.3678 2.4030 2.4030 5.8380 5.8380 5.8676 5.8676 7.7415 7.7415 7.8773 7.8773 8.1460 8.1460 8.4951 8.4951 8.9508 8.9508 9.0658 9.0658 10.1395 10.1395 10.3290 10.3290 12.7272 12.7272 12.7588 12.7588 13.7954 13.7954 13.8250 13.8250 k = 0.2073 0.5000 0.2276 ( 4808 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2645 -25.2645 -25.2645 -25.2645 -17.5920 -17.5920 -17.5916 -17.5916 -17.5262 -17.5262 -17.5260 -17.5260 -0.1253 -0.1253 -0.1238 -0.1238 2.4081 2.4081 2.4448 2.4448 5.8285 5.8285 5.8644 5.8644 7.7398 7.7398 7.8570 7.8570 8.0867 8.0867 8.4254 8.4254 8.8657 8.8657 8.9773 8.9773 10.0732 10.0732 10.2568 10.2568 12.7575 12.7575 12.7853 12.7853 13.8316 13.8316 13.8661 13.8661 k = 0.2195 0.5000 0.2276 ( 4820 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2649 -25.2649 -25.2648 -25.2648 -17.5926 -17.5926 -17.5922 -17.5922 -17.5270 -17.5270 -17.5268 -17.5268 -0.1086 -0.1086 -0.1071 -0.1071 2.4505 2.4505 2.4887 2.4887 5.8163 5.8163 5.8589 5.8589 7.7377 7.7377 7.8317 7.8317 8.0213 8.0213 8.3433 8.3433 8.7971 8.7971 8.9066 8.9066 10.0078 10.0078 10.1856 10.1856 12.7899 12.7899 12.8136 12.8136 13.8627 13.8627 13.9018 13.9018 k = 0.2317 0.5000 0.2276 ( 4820 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2652 -25.2652 -25.2651 -25.2651 -17.5933 -17.5933 -17.5929 -17.5929 -17.5277 -17.5277 -17.5275 -17.5275 -0.0915 -0.0915 -0.0899 -0.0899 2.4949 2.4949 2.5344 2.5344 5.8016 5.8016 5.8508 5.8508 7.7333 7.7333 7.7977 7.7977 7.9533 7.9533 8.2518 8.2518 8.7463 8.7463 8.8533 8.8533 9.9438 9.9438 10.1158 10.1158 12.8241 12.8241 12.8433 12.8433 13.8884 13.8884 13.9317 13.9317 k = 0.2439 0.5000 0.2276 ( 4824 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2655 -25.2655 -25.2654 -25.2654 -17.5940 -17.5940 -17.5936 -17.5936 -17.5284 -17.5284 -17.5282 -17.5282 -0.0740 -0.0740 -0.0724 -0.0724 2.5412 2.5412 2.5818 2.5818 5.7844 5.7844 5.8401 5.8401 7.7227 7.7227 7.7451 7.7451 7.8937 7.8937 8.1578 8.1578 8.7124 8.7124 8.8147 8.8147 9.8815 9.8815 10.0477 10.0477 12.8597 12.8597 12.8738 12.8738 13.9082 13.9082 13.9550 13.9550 k = 0.2561 0.5000 0.2276 ( 4828 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2658 -25.2658 -25.2657 -25.2657 -17.5948 -17.5948 -17.5944 -17.5944 -17.5291 -17.5291 -17.5289 -17.5289 -0.0562 -0.0562 -0.0546 -0.0546 2.5892 2.5892 2.6309 2.6309 5.7649 5.7649 5.8270 5.8270 7.6657 7.6657 7.6986 7.6986 7.8536 7.8536 8.0720 8.0720 8.6935 8.6935 8.7875 8.7875 9.8215 9.8215 9.9815 9.9815 12.8960 12.8960 12.9042 12.9042 13.9214 13.9214 13.9708 13.9708 k = 0.2683 0.5000 0.2276 ( 4828 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2660 -25.2660 -25.2660 -25.2660 -17.5956 -17.5956 -17.5952 -17.5952 -17.5297 -17.5297 -17.5295 -17.5295 -0.0383 -0.0383 -0.0367 -0.0367 2.6387 2.6387 2.6813 2.6813 5.7435 5.7435 5.8114 5.8114 7.5659 7.5659 7.6507 7.6507 7.8295 7.8295 8.0076 8.0076 8.6866 8.6866 8.7691 8.7691 9.7640 9.7640 9.9176 9.9176 12.9323 12.9323 12.9337 12.9337 13.9273 13.9273 13.9778 13.9778 k = 0.2805 0.5000 0.2276 ( 4836 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2664 -25.2664 -25.2663 -25.2663 -17.5964 -17.5964 -17.5961 -17.5961 -17.5303 -17.5303 -17.5301 -17.5301 -0.0204 -0.0204 -0.0187 -0.0187 2.6898 2.6898 2.7330 2.7330 5.7205 5.7205 5.7937 5.7937 7.4550 7.4550 7.5738 7.5738 7.8148 7.8148 7.9716 7.9716 8.6890 8.6890 8.7572 8.7572 9.7096 9.7096 9.8562 9.8562 12.9608 12.9608 12.9673 12.9673 13.9256 13.9256 13.9743 13.9743 k = 0.2927 0.5000 0.2276 ( 4836 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2666 -25.2666 -25.2666 -25.2666 -17.5973 -17.5973 -17.5970 -17.5970 -17.5307 -17.5307 -17.5306 -17.5306 -0.0025 -0.0025 -0.0008 -0.0008 2.7421 2.7421 2.7857 2.7857 5.6963 5.6963 5.7743 5.7743 7.3384 7.3384 7.4745 7.4745 7.8064 7.8064 7.9587 7.9587 8.6985 8.6985 8.7503 8.7503 9.6590 9.6590 9.7978 9.7978 12.9838 12.9838 12.9996 12.9996 13.9168 13.9168 13.9595 13.9595 k = 0.3049 0.5000 0.2276 ( 4836 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2669 -25.2669 -25.2668 -25.2668 -17.5982 -17.5982 -17.5979 -17.5979 -17.5312 -17.5312 -17.5310 -17.5310 0.0153 0.0153 0.0169 0.0169 2.7954 2.7954 2.8393 2.8393 5.6715 5.6715 5.7535 5.7535 7.2191 7.2191 7.3626 7.3626 7.8030 7.8030 7.9598 7.9598 8.7130 8.7130 8.7470 8.7470 9.6125 9.6125 9.7427 9.7427 13.0006 13.0006 13.0272 13.0272 13.9027 13.9027 13.9348 13.9348 k = 0.3171 0.5000 0.2276 ( 4840 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2672 -25.2672 -25.2671 -25.2671 -17.5991 -17.5991 -17.5988 -17.5988 -17.5316 -17.5316 -17.5315 -17.5315 0.0328 0.0328 0.0344 0.0344 2.8494 2.8494 2.8934 2.8934 5.6464 5.6464 5.7319 5.7319 7.0990 7.0990 7.2450 7.2450 7.8038 7.8038 7.9686 7.9686 8.7310 8.7310 8.7462 8.7462 9.5709 9.5709 9.6914 9.6914 13.0089 13.0089 13.0474 13.0474 13.8871 13.8871 13.9045 13.9045 k = 0.3293 0.5000 0.2276 ( 4844 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2674 -25.2674 -25.2674 -25.2674 -17.6000 -17.6000 -17.5997 -17.5997 -17.5319 -17.5319 -17.5318 -17.5318 0.0499 0.0499 0.0515 0.0515 2.9040 2.9040 2.9476 2.9476 5.6217 5.6217 5.7101 5.7101 6.9794 6.9794 7.1254 7.1254 7.8082 7.8082 7.9815 7.9815 8.7469 8.7469 8.7508 8.7508 9.5348 9.5348 9.6444 9.6444 13.0064 13.0064 13.0573 13.0573 13.8743 13.8743 13.8747 13.8747 k = 0.3415 0.5000 0.2276 ( 4836 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2676 -25.2676 -25.2676 -25.2676 -17.6008 -17.6008 -17.6006 -17.6006 -17.5322 -17.5322 -17.5321 -17.5321 0.0665 0.0665 0.0681 0.0681 2.9587 2.9587 3.0018 3.0018 5.5979 5.5979 5.6885 5.6885 6.8613 6.8613 7.0061 7.0061 7.8159 7.8159 7.9964 7.9964 8.7481 8.7481 8.7711 8.7711 9.5048 9.5048 9.6022 9.6022 12.9918 12.9918 13.0540 13.0540 13.8518 13.8518 13.8684 13.8684 k = 0.3537 0.5000 0.2276 ( 4844 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2679 -25.2679 -25.2679 -25.2679 -17.6017 -17.6017 -17.6015 -17.6015 -17.5325 -17.5325 -17.5324 -17.5324 0.0825 0.0825 0.0840 0.0840 3.0132 3.0132 3.0554 3.0554 5.5755 5.5755 5.6680 5.6680 6.7456 6.7456 6.8883 6.8883 7.8265 7.8265 8.0121 8.0121 8.7490 8.7490 8.7906 8.7906 9.4814 9.4814 9.5656 9.5656 12.9650 12.9650 13.0358 13.0358 13.8402 13.8402 13.8716 13.8716 k = 0.3659 0.5000 0.2276 ( 4864 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2682 -25.2682 -25.2682 -25.2682 -17.6027 -17.6027 -17.6025 -17.6025 -17.5328 -17.5328 -17.5327 -17.5327 0.0977 0.0977 0.0992 0.0992 3.0671 3.0671 3.1080 3.1080 5.5552 5.5552 5.6490 5.6490 6.6331 6.6331 6.7732 6.7732 7.8395 7.8395 8.0275 8.0275 8.7491 8.7491 8.8078 8.8078 9.4648 9.4648 9.5352 9.5352 12.9274 12.9274 13.0031 13.0031 13.8419 13.8419 13.8844 13.8844 k = 0.3780 0.5000 0.2276 ( 4860 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2684 -25.2684 -25.2684 -25.2684 -17.6035 -17.6035 -17.6033 -17.6033 -17.5329 -17.5329 -17.5329 -17.5329 0.1121 0.1121 0.1135 0.1135 3.1199 3.1199 3.1592 3.1592 5.5375 5.5375 5.6321 5.6321 6.5243 6.5243 6.6615 6.6615 7.8547 7.8547 8.0419 8.0419 8.7479 8.7479 8.8216 8.8216 9.4549 9.4549 9.5115 9.5115 12.8816 12.8816 12.9584 12.9584 13.8558 13.8558 13.9056 13.9056 k = 0.3902 0.5000 0.2276 ( 4856 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2686 -25.2686 -25.2685 -25.2685 -17.6042 -17.6042 -17.6040 -17.6040 -17.5331 -17.5331 -17.5330 -17.5330 0.1256 0.1256 0.1268 0.1268 3.1709 3.1709 3.2082 3.2082 5.5230 5.5230 5.6180 5.6180 6.4200 6.4200 6.5540 6.5540 7.8715 7.8715 8.0547 8.0547 8.7456 8.7456 8.8310 8.8310 9.4515 9.4515 9.4949 9.4949 12.8308 12.8308 12.9054 12.9054 13.8794 13.8794 13.9330 13.9330 k = 0.4024 0.5000 0.2276 ( 4868 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2688 -25.2688 -25.2688 -25.2688 -17.6050 -17.6050 -17.6048 -17.6048 -17.5332 -17.5332 -17.5332 -17.5332 0.1379 0.1379 0.1391 0.1391 3.2198 3.2198 3.2545 3.2545 5.5121 5.5121 5.6071 5.6071 6.3210 6.3210 6.4512 6.4512 7.8898 7.8898 8.0655 8.0655 8.7423 8.7423 8.8354 8.8354 9.4535 9.4535 9.4853 9.4853 12.7778 12.7778 12.8478 12.8478 13.9095 13.9095 13.9642 13.9642 k = 0.4146 0.5000 0.2276 ( 4868 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2690 -25.2690 -25.2689 -25.2689 -17.6056 -17.6056 -17.6055 -17.6055 -17.5333 -17.5333 -17.5333 -17.5333 0.1491 0.1491 0.1502 0.1502 3.2656 3.2656 3.2975 3.2975 5.5054 5.5054 5.5997 5.5997 6.2281 6.2281 6.3538 6.3538 7.9090 7.9090 8.0736 8.0736 8.7387 8.7387 8.8347 8.8347 9.4599 9.4599 9.4820 9.4820 12.7254 12.7254 12.7892 12.7892 13.9433 13.9433 13.9968 13.9968 k = 0.4268 0.5000 0.2276 ( 4880 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2692 -25.2692 -25.2691 -25.2691 -17.6062 -17.6062 -17.6061 -17.6061 -17.5334 -17.5334 -17.5334 -17.5334 0.1591 0.1591 0.1600 0.1600 3.3079 3.3079 3.3363 3.3363 5.5032 5.5032 5.5959 5.5959 6.1424 6.1424 6.2625 6.2625 7.9290 7.9290 8.0788 8.0788 8.7356 8.7356 8.8295 8.8295 9.4693 9.4693 9.4838 9.4838 12.6760 12.6760 12.7324 12.7324 13.9781 13.9781 14.0284 14.0284 k = 0.4390 0.5000 0.2276 ( 4880 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2693 -25.2693 -25.2692 -25.2692 -17.6067 -17.6067 -17.6066 -17.6066 -17.5335 -17.5335 -17.5335 -17.5335 0.1676 0.1676 0.1684 0.1684 3.3458 3.3458 3.3703 3.3703 5.5059 5.5059 5.5956 5.5956 6.0652 6.0652 6.1781 6.1781 7.9492 7.9492 8.0808 8.0808 8.7338 8.7338 8.8206 8.8206 9.4803 9.4803 9.4892 9.4892 12.6317 12.6317 12.6797 12.6797 14.0117 14.0117 14.0571 14.0571 k = 0.4512 0.5000 0.2276 ( 4876 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2693 -25.2693 -25.2693 -25.2693 -17.6071 -17.6071 -17.6070 -17.6070 -17.5335 -17.5335 -17.5335 -17.5335 0.1748 0.1748 0.1754 0.1754 3.3786 3.3786 3.3988 3.3988 5.5137 5.5137 5.5976 5.5976 5.9985 5.9985 6.1015 6.1015 7.9695 7.9695 8.0794 8.0794 8.7338 8.7338 8.8092 8.8092 9.4915 9.4915 9.4966 9.4966 12.5940 12.5940 12.6331 12.6331 14.0424 14.0424 14.0811 14.0811 k = 0.4634 0.5000 0.2276 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2694 -25.2694 -25.2694 -25.2694 -17.6074 -17.6074 -17.6074 -17.6074 -17.5335 -17.5335 -17.5335 -17.5335 0.1804 0.1804 0.1809 0.1809 3.4056 3.4056 3.4212 3.4212 5.5261 5.5261 5.6001 5.6001 5.9453 5.9453 6.0337 6.0337 7.9892 7.9892 8.0746 8.0746 8.7361 8.7361 8.7962 8.7962 9.5016 9.5016 9.5043 9.5043 12.5643 12.5643 12.5941 12.5941 14.0689 14.0689 14.0993 14.0993 k = 0.4756 0.5000 0.2276 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2694 -25.2694 -25.2694 -25.2694 -17.6077 -17.6077 -17.6076 -17.6076 -17.5336 -17.5336 -17.5336 -17.5336 0.1845 0.1845 0.1848 0.1848 3.4262 3.4262 3.4367 3.4367 5.5426 5.5426 5.5998 5.5998 5.9095 5.9095 5.9765 5.9765 8.0082 8.0082 8.0665 8.0665 8.7411 8.7411 8.7828 8.7828 9.5096 9.5096 9.5109 9.5109 12.5439 12.5439 12.5639 12.5639 14.0900 14.0900 14.1110 14.1110 k = 0.4878 0.5000 0.2276 ( 4888 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2696 -25.2696 -25.2696 -25.2696 -17.6078 -17.6078 -17.6078 -17.6078 -17.5337 -17.5337 -17.5337 -17.5337 0.1870 0.1870 0.1872 0.1872 3.4398 3.4398 3.4452 3.4452 5.5613 5.5613 5.5932 5.5932 5.8952 5.8952 5.9320 5.9320 8.0258 8.0258 8.0554 8.0554 8.7485 8.7485 8.7699 8.7699 9.5148 9.5148 9.5152 9.5152 12.5333 12.5333 12.5434 12.5434 14.1052 14.1052 14.1159 14.1159 k = 0.5000 0.5000 0.2276 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6078 -17.6078 -17.6078 -17.6078 -17.5336 -17.5336 -17.5336 -17.5336 0.1879 0.1879 0.1879 0.1879 3.4462 3.4462 3.4462 3.4462 5.5795 5.5795 5.5795 5.5795 5.9036 5.9036 5.9036 5.9036 8.0417 8.0417 8.0417 8.0417 8.7583 8.7583 8.7583 8.7583 9.5166 9.5166 9.5166 9.5166 12.5331 12.5331 12.5331 12.5331 14.1139 14.1139 14.1139 14.1139 k = 0.5000 0.5000 0.2276 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6078 -17.6078 -17.6078 -17.6078 -17.5336 -17.5336 -17.5336 -17.5336 0.1879 0.1879 0.1879 0.1879 3.4462 3.4462 3.4462 3.4462 5.5795 5.5795 5.5795 5.5795 5.9036 5.9036 5.9036 5.9036 8.0417 8.0417 8.0417 8.0417 8.7583 8.7583 8.7583 8.7583 9.5166 9.5166 9.5166 9.5166 12.5331 12.5331 12.5331 12.5331 14.1139 14.1139 14.1139 14.1139 k = 0.4914 0.4914 0.2276 ( 4888 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2696 -25.2696 -25.2696 -25.2696 -17.6078 -17.6078 -17.6078 -17.6078 -17.5337 -17.5337 -17.5337 -17.5337 0.1859 0.1859 0.1883 0.1883 3.4368 3.4368 3.4482 3.4482 5.5605 5.5605 5.5940 5.5940 5.8951 5.8951 5.9321 5.9321 8.0257 8.0257 8.0556 8.0556 8.7483 8.7483 8.7702 8.7702 9.5129 9.5129 9.5171 9.5171 12.5333 12.5333 12.5434 12.5434 14.1052 14.1052 14.1159 14.1159 k = 0.4828 0.4828 0.2276 ( 4878 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2694 -25.2694 -17.6077 -17.6077 -17.6076 -17.6076 -17.5336 -17.5336 -17.5336 -17.5336 0.1798 0.1798 0.1895 0.1895 3.4111 3.4111 3.4522 3.4522 5.5369 5.5369 5.6057 5.6057 5.9085 5.9085 5.9769 5.9769 8.0068 8.0068 8.0679 8.0679 8.7394 8.7394 8.7846 8.7846 9.5019 9.5019 9.5184 9.5184 12.5438 12.5438 12.5640 12.5640 14.0902 14.0902 14.1113 14.1113 k = 0.4741 0.4741 0.2276 ( 4882 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2694 -25.2694 -17.6075 -17.6075 -17.6074 -17.6074 -17.5336 -17.5336 -17.5335 -17.5335 0.1698 0.1698 0.1914 0.1914 3.3696 3.3696 3.4589 3.4589 5.5101 5.5101 5.6162 5.6162 5.9427 5.9427 6.0344 6.0344 7.9849 7.9849 8.0794 8.0794 8.7305 8.7305 8.8021 8.8021 9.4843 9.4843 9.5207 9.5207 12.5642 12.5642 12.5945 12.5945 14.0696 14.0696 14.1007 14.1007 k = 0.4655 0.4655 0.2276 ( 4886 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2694 -25.2694 -25.2694 -25.2694 -17.6071 -17.6071 -17.6071 -17.6071 -17.5336 -17.5336 -17.5336 -17.5336 0.1559 0.1559 0.1941 0.1941 3.3144 3.3144 3.4681 3.4681 5.4824 5.4824 5.6270 5.6270 5.9944 5.9944 6.1023 6.1023 7.9599 7.9599 8.0906 8.0906 8.7208 8.7208 8.8232 8.8232 9.4615 9.4615 9.5238 9.5238 12.5936 12.5936 12.6343 12.6343 14.0443 14.0443 14.0852 14.0852 k = 0.4569 0.4569 0.2276 ( 4886 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2693 -25.2693 -25.2693 -25.2693 -17.6067 -17.6067 -17.6066 -17.6066 -17.5336 -17.5336 -17.5335 -17.5335 0.1381 0.1381 0.1974 0.1974 3.2474 3.2474 3.4800 3.4800 5.4557 5.4557 5.6389 5.6389 6.0596 6.0596 6.1790 6.1790 7.9320 7.9320 8.1020 8.1020 8.7091 8.7091 8.8480 8.8480 9.4349 9.4349 9.5278 9.5278 12.6310 12.6310 12.6826 12.6826 14.0156 14.0156 14.0664 14.0664 k = 0.4483 0.4483 0.2276 ( 4882 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2692 -25.2692 -25.2691 -25.2691 -17.6062 -17.6062 -17.6061 -17.6061 -17.5335 -17.5335 -17.5334 -17.5334 0.1165 0.1165 0.2014 0.2014 3.1708 3.1708 3.4946 3.4946 5.4318 5.4318 5.6523 5.6523 6.1343 6.1343 6.2637 6.2637 7.9017 7.9017 8.1139 8.1139 8.6941 8.6941 8.8767 8.8767 9.4067 9.4067 9.5327 9.5327 12.6748 12.6748 12.7383 12.7383 13.9844 13.9844 14.0462 14.0462 k = 0.4397 0.4397 0.2276 ( 4878 PWs) bands (ev): -50.9379 -50.9379 -50.9378 -50.9378 -25.2690 -25.2690 -25.2690 -25.2690 -17.6056 -17.6056 -17.6054 -17.6054 -17.5334 -17.5334 -17.5333 -17.5333 0.0913 0.0913 0.2060 0.2060 3.0868 3.0868 3.5118 3.5118 5.4115 5.4115 5.6676 5.6676 6.2152 6.2152 6.3559 6.3559 7.8699 7.8699 8.1266 8.1266 8.6746 8.6746 8.9094 8.9094 9.3789 9.3789 9.5385 9.5385 12.7233 12.7233 12.8005 12.8005 13.9521 13.9521 14.0269 14.0269 k = 0.4310 0.4310 0.2276 ( 4870 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2688 -25.2688 -25.2688 -25.2688 -17.6048 -17.6048 -17.6047 -17.6047 -17.5334 -17.5334 -17.5332 -17.5332 0.0625 0.0625 0.2110 0.2110 2.9969 2.9969 3.5317 3.5317 5.3956 5.3956 5.6848 5.6848 6.2995 6.2995 6.4544 6.4544 7.8378 7.8378 8.1401 8.1401 8.6493 8.6493 8.9461 8.9461 9.3539 9.3539 9.5452 9.5452 12.7744 12.7744 12.8676 12.8676 13.9200 13.9200 14.0107 14.0107 k = 0.4224 0.4224 0.2276 ( 4866 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2686 -25.2686 -25.2686 -25.2686 -17.6040 -17.6040 -17.6039 -17.6039 -17.5333 -17.5333 -17.5331 -17.5331 0.0303 0.0303 0.2165 0.2165 2.9027 2.9027 3.5541 3.5541 5.3844 5.3844 5.7042 5.7042 6.3856 6.3856 6.5573 6.5573 7.8068 7.8068 8.1546 8.1546 8.6170 8.6170 8.9869 8.9869 9.3337 9.3337 9.5528 9.5528 12.8259 12.8259 12.9380 12.9380 13.8900 13.8900 13.9999 13.9999 k = 0.4138 0.4138 0.2276 ( 4872 PWs) bands (ev): -50.9379 -50.9379 -50.9379 -50.9379 -25.2685 -25.2685 -25.2684 -25.2684 -17.6032 -17.6032 -17.6030 -17.6030 -17.5333 -17.5333 -17.5329 -17.5329 -0.0051 -0.0051 0.2222 0.2222 2.8055 2.8055 3.5792 3.5792 5.3784 5.3784 5.7255 5.7255 6.4724 6.4724 6.6622 6.6622 7.7792 7.7792 8.1700 8.1700 8.5774 8.5774 9.0317 9.0317 9.3199 9.3199 9.5613 9.5613 12.8758 12.8758 13.0093 13.0093 13.8646 13.8646 13.9962 13.9962 k = 0.4052 0.4052 0.2276 ( 4860 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2682 -25.2682 -25.2681 -25.2681 -17.6022 -17.6022 -17.6019 -17.6019 -17.5333 -17.5333 -17.5328 -17.5328 -0.0435 -0.0435 0.2280 0.2280 2.7064 2.7064 3.6070 3.6070 5.3777 5.3777 5.7490 5.7490 6.5594 6.5594 6.7652 6.7652 7.7580 7.7580 8.1859 8.1859 8.5308 8.5308 9.0807 9.0807 9.3135 9.3135 9.5706 9.5706 12.9220 12.9220 13.0781 13.0781 13.8468 13.8468 14.0010 14.0010 k = 0.3966 0.3966 0.2276 ( 4856 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2680 -25.2680 -25.2678 -25.2678 -17.6011 -17.6011 -17.6008 -17.6008 -17.5332 -17.5332 -17.5326 -17.5326 -0.0848 -0.0848 0.2339 0.2339 2.6063 2.6063 3.6373 3.6373 5.3823 5.3823 5.7747 5.7747 6.6460 6.6460 6.8617 6.8617 7.7470 7.7470 8.2017 8.2017 8.4784 8.4784 9.1336 9.1336 9.3149 9.3149 9.5809 9.5809 12.9632 12.9632 13.1399 13.1399 13.8409 13.8409 14.0144 14.0144 k = 0.3879 0.3879 0.2276 ( 4852 PWs) bands (ev): -50.9380 -50.9380 -50.9380 -50.9380 -25.2677 -25.2677 -25.2675 -25.2675 -17.5999 -17.5999 -17.5996 -17.5996 -17.5331 -17.5331 -17.5324 -17.5324 -0.1288 -0.1288 0.2396 0.2396 2.5058 2.5058 3.6703 3.6703 5.3923 5.3923 5.8024 5.8024 6.7317 6.7317 6.9461 6.9461 7.7514 7.7514 8.2156 8.2156 8.4236 8.4236 9.1903 9.1903 9.3239 9.3239 9.5919 9.5919 12.9985 12.9985 13.1898 13.1898 13.8508 13.8508 14.0338 14.0338 k = 0.3793 0.3793 0.2276 ( 4840 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2674 -25.2674 -25.2672 -25.2672 -17.5987 -17.5987 -17.5983 -17.5983 -17.5330 -17.5330 -17.5322 -17.5322 -0.1752 -0.1752 0.2450 0.2450 2.4057 2.4057 3.7059 3.7059 5.4076 5.4076 5.8322 5.8322 6.8155 6.8155 7.0129 7.0129 7.7760 7.7760 8.2222 8.2222 8.3734 8.3734 9.2498 9.2498 9.3410 9.3410 9.6038 9.6038 13.0282 13.0282 13.2238 13.2238 13.8785 13.8785 14.0482 14.0482 k = 0.3707 0.3707 0.2276 ( 4840 PWs) bands (ev): -50.9381 -50.9381 -50.9381 -50.9381 -25.2671 -25.2671 -25.2669 -25.2669 -17.5974 -17.5974 -17.5970 -17.5970 -17.5329 -17.5329 -17.5321 -17.5321 -0.2238 -0.2238 0.2499 0.2499 2.3065 2.3065 3.7441 3.7441 5.4282 5.4282 5.8641 5.8641 6.8956 6.8956 7.0598 7.0598 7.8227 7.8227 8.2089 8.2089 8.3436 8.3436 9.3088 9.3088 9.3688 9.3688 9.6166 9.6166 13.0529 13.0529 13.2411 13.2411 13.9163 13.9163 14.0370 14.0370 k = 0.3621 0.3621 0.2276 ( 4840 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2668 -25.2668 -25.2666 -25.2666 -17.5960 -17.5960 -17.5956 -17.5956 -17.5329 -17.5329 -17.5319 -17.5319 -0.2745 -0.2745 0.2541 0.2541 2.2087 2.2087 3.7848 3.7848 5.4540 5.4540 5.8980 5.8980 6.9669 6.9669 7.0922 7.0922 7.8856 7.8856 8.1728 8.1728 8.3432 8.3432 9.3576 9.3576 9.4162 9.4162 9.6302 9.6302 13.0737 13.0737 13.2442 13.2442 13.9261 13.9261 14.0474 14.0474 k = 0.3534 0.3534 0.2276 ( 4830 PWs) bands (ev): -50.9382 -50.9382 -50.9382 -50.9382 -25.2665 -25.2665 -25.2662 -25.2662 -17.5945 -17.5945 -17.5940 -17.5940 -17.5328 -17.5328 -17.5317 -17.5317 -0.3270 -0.3270 0.2572 0.2572 2.1128 2.1128 3.8282 3.8282 5.4847 5.4847 5.9340 5.9340 7.0147 7.0147 7.1283 7.1283 7.9411 7.9411 8.1464 8.1464 8.3602 8.3602 9.3953 9.3953 9.4834 9.4834 9.6449 9.6449 13.0920 13.0920 13.2375 13.2375 13.8890 13.8890 14.0620 14.0620 k = 0.3448 0.3448 0.2276 ( 4834 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2662 -25.2662 -25.2658 -25.2658 -17.5930 -17.5930 -17.5925 -17.5925 -17.5327 -17.5327 -17.5314 -17.5314 -0.3810 -0.3810 0.2592 0.2592 2.0192 2.0192 3.8742 3.8742 5.5203 5.5203 5.9719 5.9719 7.0276 7.0276 7.1843 7.1843 7.9409 7.9409 8.1826 8.1826 8.3855 8.3855 9.4308 9.4308 9.5598 9.5598 9.6613 9.6613 13.1088 13.1088 13.2254 13.2254 13.8356 13.8356 14.0360 14.0360 k = 0.3362 0.3362 0.2276 ( 4836 PWs) bands (ev): -50.9383 -50.9383 -50.9383 -50.9383 -25.2659 -25.2659 -25.2655 -25.2655 -17.5915 -17.5915 -17.5909 -17.5909 -17.5326 -17.5326 -17.5312 -17.5312 -0.4364 -0.4364 0.2596 0.2596 1.9284 1.9284 3.9227 3.9227 5.5603 5.5603 6.0119 6.0119 7.0195 7.0195 7.2497 7.2497 7.8936 7.8936 8.2710 8.2710 8.4183 8.4183 9.4676 9.4676 9.6361 9.6361 9.6848 9.6848 13.1241 13.1241 13.2121 13.2121 13.7756 13.7756 14.0067 14.0067 k = 0.3276 0.3276 0.2276 ( 4828 PWs) bands (ev): -50.9384 -50.9384 -50.9384 -50.9384 -25.2655 -25.2655 -25.2650 -25.2650 -17.5898 -17.5898 -17.5892 -17.5892 -17.5325 -17.5325 -17.5309 -17.5309 -0.4929 -0.4929 0.2582 0.2582 1.8407 1.8407 3.9738 3.9738 5.6046 5.6046 6.0537 6.0537 7.0025 7.0025 7.3130 7.3130 7.8355 7.8355 8.3665 8.3665 8.4668 8.4668 9.5062 9.5062 9.6793 9.6793 9.7472 9.7472 13.1358 13.1358 13.2029 13.2029 13.7113 13.7113 13.9762 13.9762 k = 0.3190 0.3190 0.2276 ( 4824 PWs) bands (ev): -50.9385 -50.9385 -50.9384 -50.9384 -25.2651 -25.2651 -25.2647 -25.2647 -17.5881 -17.5881 -17.5875 -17.5875 -17.5323 -17.5323 -17.5307 -17.5307 -0.5503 -0.5503 0.2546 0.2546 1.7564 1.7564 4.0275 4.0275 5.6528 5.6528 6.0974 6.0974 6.9823 6.9823 7.3662 7.3662 7.7830 7.7830 8.4342 8.4342 8.5526 8.5526 9.5464 9.5464 9.6998 9.6998 9.8377 9.8377 13.1388 13.1388 13.2049 13.2049 13.6437 13.6437 13.9450 13.9450 k = 0.3103 0.3103 0.2276 ( 4822 PWs) bands (ev): -50.9385 -50.9385 -50.9385 -50.9385 -25.2647 -25.2647 -25.2643 -25.2643 -17.5863 -17.5863 -17.5858 -17.5858 -17.5322 -17.5322 -17.5305 -17.5305 -0.6084 -0.6084 0.2486 0.2486 1.6761 1.6761 4.0836 4.0836 5.7044 5.7044 6.1428 6.1428 6.9614 6.9614 7.3985 7.3985 7.7493 7.7493 8.4786 8.4786 8.6664 8.6664 9.5879 9.5879 9.7176 9.7176 9.9353 9.9353 13.1325 13.1325 13.2188 13.2188 13.5739 13.5739 13.9134 13.9134 k = 0.3017 0.3017 0.2276 ( 4830 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2643 -25.2643 -25.2640 -25.2640 -17.5846 -17.5846 -17.5840 -17.5840 -17.5321 -17.5321 -17.5303 -17.5303 -0.6671 -0.6671 0.2398 0.2398 1.6000 1.6000 4.1424 4.1424 5.7588 5.7588 6.1900 6.1900 6.9414 6.9414 7.3993 7.3993 7.7469 7.7469 8.5171 8.5171 8.7880 8.7880 9.6304 9.6304 9.7351 9.7351 10.0374 10.0374 13.1230 13.1230 13.2368 13.2368 13.5052 13.5052 13.8816 13.8816 k = 0.2931 0.2931 0.2276 ( 4828 PWs) bands (ev): -50.9386 -50.9386 -50.9386 -50.9386 -25.2639 -25.2639 -25.2636 -25.2636 -17.5827 -17.5827 -17.5821 -17.5821 -17.5319 -17.5319 -17.5300 -17.5300 -0.7260 -0.7260 0.2278 0.2278 1.5285 1.5285 4.2036 4.2036 5.8153 5.8153 6.2388 6.2388 6.9236 6.9236 7.3699 7.3699 7.7752 7.7752 8.5549 8.5549 8.9112 8.9112 9.6735 9.6735 9.7527 9.7527 10.1427 10.1427 13.1136 13.1136 13.2466 13.2466 13.4469 13.4469 13.8498 13.8498 k = 0.2845 0.2845 0.2276 ( 4824 PWs) bands (ev): -50.9387 -50.9387 -50.9387 -50.9387 -25.2635 -25.2635 -25.2631 -25.2631 -17.5808 -17.5808 -17.5802 -17.5802 -17.5318 -17.5318 -17.5297 -17.5297 -0.7850 -0.7850 0.2125 0.2125 1.4619 1.4619 4.2673 4.2673 5.8731 5.8731 6.2891 6.2891 6.9086 6.9086 7.3235 7.3235 7.8223 7.8223 8.5931 8.5931 9.0336 9.0336 9.7166 9.7166 9.7709 9.7709 10.2504 10.2504 13.1042 13.1042 13.2265 13.2265 13.4206 13.4206 13.8180 13.8180 k = 0.2759 0.2759 0.2276 ( 4824 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2631 -25.2631 -25.2627 -25.2627 -17.5789 -17.5789 -17.5783 -17.5783 -17.5316 -17.5316 -17.5295 -17.5295 -0.8440 -0.8440 0.1936 0.1936 1.4003 1.4003 4.3336 4.3336 5.9310 5.9310 6.3407 6.3407 6.8972 6.8972 7.2715 7.2715 7.8781 7.8781 8.6322 8.6322 9.1541 9.1541 9.7581 9.7581 9.7909 9.7909 10.3595 10.3595 13.0886 13.0886 13.1747 13.1747 13.4342 13.4342 13.7864 13.7864 k = 0.2672 0.2672 0.2276 ( 4834 PWs) bands (ev): -50.9388 -50.9388 -50.9388 -50.9388 -25.2628 -25.2628 -25.2624 -25.2624 -17.5770 -17.5770 -17.5764 -17.5764 -17.5315 -17.5315 -17.5292 -17.5292 -0.9027 -0.9027 0.1710 0.1710 1.3441 1.3441 4.4022 4.4022 5.9874 5.9874 6.3934 6.3934 6.8899 6.8899 7.2208 7.2208 7.9376 7.9376 8.6723 8.6723 9.2721 9.2721 9.7918 9.7918 9.8187 9.8187 10.4688 10.4688 13.0388 13.0388 13.1364 13.1364 13.4691 13.4691 13.7553 13.7553 k = 0.2586 0.2586 0.2276 ( 4826 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2623 -25.2623 -25.2619 -25.2619 -17.5751 -17.5751 -17.5744 -17.5744 -17.5313 -17.5313 -17.5289 -17.5289 -0.9611 -0.9611 0.1447 0.1447 1.2930 1.2930 4.4734 4.4734 6.0405 6.0405 6.4468 6.4468 6.8871 6.8871 7.1759 7.1759 7.9983 7.9983 8.7135 8.7135 9.3870 9.3870 9.8141 9.8141 9.8577 9.8577 10.5773 10.5773 12.9496 12.9496 13.1273 13.1273 13.5127 13.5127 13.7253 13.7253 k = 0.2500 0.2500 0.2276 ( 4834 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2615 -25.2615 -17.5731 -17.5731 -17.5724 -17.5724 -17.5312 -17.5312 -17.5287 -17.5287 -1.0188 -1.0188 0.1147 0.1147 1.2472 1.2472 4.5469 4.5469 6.0876 6.0876 6.5005 6.5005 6.8894 6.8894 7.1406 7.1406 8.0588 8.0588 8.7557 8.7557 9.4982 9.4982 9.8325 9.8325 9.9003 9.9003 10.6837 10.6837 12.8447 12.8447 13.1260 13.1260 13.5574 13.5574 13.6987 13.6987 k = 0.2414 0.2414 0.2276 ( 4834 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2615 -25.2615 -25.2611 -25.2611 -17.5711 -17.5711 -17.5704 -17.5704 -17.5311 -17.5311 -17.5284 -17.5284 -1.0758 -1.0758 0.0813 0.0813 1.2064 1.2064 4.6228 4.6228 6.1260 6.1260 6.5540 6.5540 6.8976 6.8976 7.1186 7.1186 8.1187 8.1187 8.7989 8.7989 9.6046 9.6046 9.8504 9.8504 9.9436 9.9436 10.7871 10.7871 12.7314 12.7314 13.1242 13.1242 13.5915 13.5915 13.6834 13.6834 k = 0.2328 0.2328 0.2276 ( 4820 PWs) bands (ev): -50.9391 -50.9391 -50.9391 -50.9391 -25.2610 -25.2610 -25.2606 -25.2606 -17.5691 -17.5691 -17.5683 -17.5683 -17.5308 -17.5308 -17.5281 -17.5281 -1.1320 -1.1320 0.0448 0.0448 1.1702 1.1702 4.7011 4.7011 6.1527 6.1527 6.6066 6.6066 6.9126 6.9126 7.1126 7.1126 8.1775 8.1775 8.8430 8.8430 9.7039 9.7039 9.8703 9.8703 9.9868 9.9868 10.8863 10.8863 12.6120 12.6120 13.1160 13.1160 13.5937 13.5937 13.6933 13.6933 k = 0.2241 0.2241 0.2276 ( 4812 PWs) bands (ev): -50.9392 -50.9392 -50.9391 -50.9391 -25.2605 -25.2605 -25.2601 -25.2601 -17.5670 -17.5670 -17.5663 -17.5663 -17.5307 -17.5307 -17.5278 -17.5278 -1.1872 -1.1872 0.0056 0.0056 1.1384 1.1384 4.7817 4.7817 6.1657 6.1657 6.6575 6.6575 6.9359 6.9359 7.1243 7.1243 8.2350 8.2350 8.8878 8.8878 9.7883 9.7883 9.8990 9.8990 10.0298 10.0298 10.9805 10.9805 12.4876 12.4876 13.0959 13.0959 13.5726 13.5726 13.6969 13.6969 k = 0.2155 0.2155 0.2276 ( 4820 PWs) bands (ev): -50.9392 -50.9392 -50.9392 -50.9392 -25.2602 -25.2602 -25.2598 -25.2598 -17.5651 -17.5651 -17.5643 -17.5643 -17.5305 -17.5305 -17.5276 -17.5276 -1.2412 -1.2412 -0.0357 -0.0357 1.1104 1.1104 4.8646 4.8646 6.1644 6.1644 6.7065 6.7065 6.9682 6.9682 7.1539 7.1539 8.2913 8.2913 8.9334 8.9334 9.8411 9.8411 9.9522 9.9522 10.0728 10.0728 11.0690 11.0690 12.3593 12.3593 13.0595 13.0595 13.5451 13.5451 13.6791 13.6791 k = 0.2069 0.2069 0.2276 ( 4828 PWs) bands (ev): -50.9393 -50.9393 -50.9393 -50.9393 -25.2598 -25.2598 -25.2594 -25.2594 -17.5631 -17.5631 -17.5623 -17.5623 -17.5304 -17.5304 -17.5273 -17.5273 -1.2940 -1.2940 -0.0787 -0.0787 1.0858 1.0858 4.9497 4.9497 6.1501 6.1501 6.7537 6.7537 7.0093 7.0093 7.1999 7.1999 8.3462 8.3462 8.9793 8.9793 9.8651 9.8651 10.0249 10.0249 10.1168 10.1168 11.1514 11.1514 12.2277 12.2277 13.0066 13.0066 13.5163 13.5163 13.6698 13.6698 k = 0.1983 0.1983 0.2276 ( 4832 PWs) bands (ev): -50.9394 -50.9394 -50.9393 -50.9393 -25.2594 -25.2594 -25.2590 -25.2590 -17.5612 -17.5612 -17.5603 -17.5603 -17.5302 -17.5302 -17.5271 -17.5271 -1.3455 -1.3455 -0.1229 -0.1229 1.0641 1.0641 5.0369 5.0369 6.1251 6.1251 6.7999 6.7999 7.0582 7.0582 7.2603 7.2603 8.3997 8.3997 9.0255 9.0255 9.8775 9.8775 10.0958 10.0958 10.1644 10.1644 11.2276 11.2276 12.0938 12.0938 12.9410 12.9410 13.4875 13.4875 13.6740 13.6740 k = 0.1897 0.1897 0.2276 ( 4820 PWs) bands (ev): -50.9394 -50.9394 -50.9394 -50.9394 -25.2590 -25.2590 -25.2585 -25.2585 -17.5592 -17.5592 -17.5583 -17.5583 -17.5301 -17.5301 -17.5267 -17.5267 -1.3954 -1.3954 -0.1677 -0.1677 1.0450 1.0450 5.1263 5.1263 6.0922 6.0922 6.8459 6.8459 7.1134 7.1134 7.3323 7.3323 8.4520 8.4520 9.0717 9.0717 9.8845 9.8845 10.1532 10.1532 10.2194 10.2194 11.2975 11.2975 11.9586 11.9586 12.8689 12.8689 13.4594 13.4594 13.6863 13.6863 k = 0.1810 0.1810 0.2276 ( 4806 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2586 -25.2586 -25.2580 -25.2580 -17.5573 -17.5573 -17.5564 -17.5564 -17.5299 -17.5299 -17.5263 -17.5263 -1.4439 -1.4439 -0.2127 -0.2127 1.0280 1.0280 5.2177 5.2177 6.0540 6.0540 6.8928 6.8928 7.1739 7.1739 7.4135 7.4135 8.5030 8.5030 9.1176 9.1176 9.8877 9.8877 10.1967 10.1967 10.2786 10.2786 11.3614 11.3614 11.8230 11.8230 12.7959 12.7959 13.4321 13.4321 13.6964 13.6964 k = 0.1724 0.1724 0.2276 ( 4810 PWs) bands (ev): -50.9395 -50.9395 -50.9395 -50.9395 -25.2582 -25.2582 -25.2576 -25.2576 -17.5555 -17.5555 -17.5545 -17.5545 -17.5297 -17.5297 -17.5261 -17.5261 -1.4906 -1.4906 -0.2576 -0.2576 1.0128 1.0128 5.3110 5.3110 6.0123 6.0123 6.9413 6.9413 7.2384 7.2384 7.5015 7.5015 8.5528 8.5528 9.1626 9.1626 9.8874 9.8874 10.2314 10.2314 10.3343 10.3343 11.4197 11.4197 11.6882 11.6882 12.7267 12.7267 13.4058 13.4058 13.6773 13.6773 k = 0.1638 0.1638 0.2276 ( 4808 PWs) bands (ev): -50.9396 -50.9396 -50.9396 -50.9396 -25.2578 -25.2578 -25.2572 -25.2572 -17.5537 -17.5537 -17.5526 -17.5526 -17.5296 -17.5296 -17.5258 -17.5258 -1.5356 -1.5356 -0.3018 -0.3018 0.9992 0.9992 5.4062 5.4062 5.9689 5.9689 6.9919 6.9919 7.3063 7.3063 7.5946 7.5946 8.6015 8.6015 9.2063 9.2063 9.8836 9.8836 10.2593 10.2593 10.3822 10.3822 11.4728 11.4728 11.5555 11.5555 12.6652 12.6652 13.3803 13.3803 13.6093 13.6093 k = 0.1552 0.1552 0.2276 ( 4816 PWs) bands (ev): -50.9397 -50.9397 -50.9396 -50.9396 -25.2575 -25.2575 -25.2569 -25.2569 -17.5519 -17.5519 -17.5509 -17.5509 -17.5294 -17.5294 -17.5256 -17.5256 -1.5788 -1.5788 -0.3452 -0.3452 0.9868 0.9868 5.5031 5.5031 5.9248 5.9248 7.0450 7.0450 7.3770 7.3770 7.6910 7.6910 8.6493 8.6493 9.2479 9.2479 9.8763 9.8763 10.2792 10.2792 10.4208 10.4208 11.4263 11.4263 11.5214 11.5214 12.6143 12.6143 13.3543 13.3543 13.5238 13.5238 k = 0.1466 0.1466 0.2276 ( 4812 PWs) bands (ev): -50.9397 -50.9397 -50.9397 -50.9397 -25.2571 -25.2571 -25.2565 -25.2565 -17.5502 -17.5502 -17.5492 -17.5492 -17.5292 -17.5292 -17.5254 -17.5254 -1.6200 -1.6200 -0.3874 -0.3874 0.9755 0.9755 5.6014 5.6014 5.8810 5.8810 7.1009 7.1009 7.4500 7.4500 7.7895 7.7895 8.6961 8.6961 9.2865 9.2865 9.8653 9.8653 10.2888 10.2888 10.4507 10.4507 11.3027 11.3027 11.5657 11.5657 12.5763 12.5763 13.3229 13.3229 13.4397 13.4397 k = 0.1379 0.1379 0.2276 ( 4812 PWs) bands (ev): -50.9398 -50.9398 -50.9397 -50.9397 -25.2568 -25.2568 -25.2562 -25.2562 -17.5485 -17.5485 -17.5475 -17.5475 -17.5291 -17.5291 -17.5251 -17.5251 -1.6593 -1.6593 -0.4282 -0.4282 0.9652 0.9652 5.7006 5.7006 5.8386 5.8386 7.1596 7.1596 7.5249 7.5249 7.8888 7.8888 8.7422 8.7422 9.3210 9.3210 9.8507 9.8507 10.2846 10.2846 10.4734 10.4734 11.1868 11.1868 11.6065 11.6065 12.5525 12.5525 13.2707 13.2707 13.3764 13.3764 k = 0.1293 0.1293 0.2276 ( 4820 PWs) bands (ev): -50.9398 -50.9398 -50.9398 -50.9398 -25.2565 -25.2565 -25.2559 -25.2559 -17.5470 -17.5470 -17.5459 -17.5459 -17.5290 -17.5290 -17.5249 -17.5249 -1.6965 -1.6965 -0.4673 -0.4673 0.9557 0.9557 5.7845 5.7845 5.8141 5.8141 7.2210 7.2210 7.6014 7.6014 7.9877 7.9877 8.7877 8.7877 9.3499 9.3499 9.8323 9.8323 10.2641 10.2641 10.4906 10.4906 11.0813 11.0813 11.6440 11.6440 12.5432 12.5432 13.1901 13.1901 13.3433 13.3433 k = 0.1207 0.1207 0.2276 ( 4818 PWs) bands (ev): -50.9399 -50.9399 -50.9398 -50.9398 -25.2562 -25.2562 -25.2556 -25.2556 -17.5455 -17.5455 -17.5444 -17.5444 -17.5288 -17.5288 -17.5247 -17.5247 -1.7316 -1.7316 -0.5045 -0.5045 0.9469 0.9469 5.7538 5.7538 5.9069 5.9069 7.2851 7.2851 7.6793 7.6793 8.0852 8.0852 8.8327 8.8327 9.3712 9.3712 9.8102 9.8102 10.2267 10.2267 10.5024 10.5024 10.9897 10.9897 11.6787 11.6787 12.5477 12.5477 13.0971 13.0971 13.3251 13.3251 k = 0.1121 0.1121 0.2276 ( 4818 PWs) bands (ev): -50.9399 -50.9399 -50.9399 -50.9399 -25.2559 -25.2559 -25.2553 -25.2553 -17.5440 -17.5440 -17.5429 -17.5429 -17.5287 -17.5287 -17.5245 -17.5245 -1.7645 -1.7645 -0.5398 -0.5398 0.9388 0.9388 5.7163 5.7163 6.0092 6.0092 7.3517 7.3517 7.7583 7.7583 8.1800 8.1800 8.8775 8.8775 9.3828 9.3828 9.7844 9.7844 10.1740 10.1740 10.5069 10.5069 10.9161 10.9161 11.7107 11.7107 12.5646 12.5646 13.0012 13.0012 13.3133 13.3133 k = 0.1034 0.1034 0.2276 ( 4818 PWs) bands (ev): -50.9399 -50.9399 -50.9399 -50.9399 -25.2556 -25.2556 -25.2550 -25.2550 -17.5427 -17.5427 -17.5416 -17.5416 -17.5286 -17.5286 -17.5243 -17.5243 -1.7952 -1.7952 -0.5729 -0.5729 0.9313 0.9313 5.6805 5.6805 6.1122 6.1122 7.4202 7.4202 7.8381 7.8381 8.2711 8.2711 8.9221 8.9221 9.3824 9.3824 9.7550 9.7550 10.1094 10.1094 10.5014 10.5014 10.8648 10.8648 11.7403 11.7403 12.5915 12.5915 12.9056 12.9056 13.3051 13.3051 k = 0.0948 0.0948 0.2276 ( 4806 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2553 -25.2553 -25.2546 -25.2546 -17.5414 -17.5414 -17.5402 -17.5402 -17.5285 -17.5285 -17.5241 -17.5241 -1.8236 -1.8236 -0.6038 -0.6038 0.9245 0.9245 5.6471 5.6471 6.2152 6.2152 7.4904 7.4904 7.9188 7.9188 8.3572 8.3572 8.9668 8.9668 9.3677 9.3677 9.7225 9.7225 10.0363 10.0363 10.4855 10.4855 10.8374 10.8374 11.7677 11.7677 12.6252 12.6252 12.8130 12.8130 13.2991 13.2991 k = 0.0862 0.0862 0.2276 ( 4798 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2551 -25.2551 -25.2543 -25.2543 -17.5402 -17.5402 -17.5390 -17.5390 -17.5283 -17.5283 -17.5239 -17.5239 -1.8497 -1.8497 -0.6322 -0.6322 0.9182 0.9182 5.6161 5.6161 6.3175 6.3175 7.5616 7.5616 7.9999 7.9999 8.4373 8.4373 9.0114 9.0114 9.3377 9.3377 9.6870 9.6870 9.9579 9.9579 10.4629 10.4629 10.8308 10.8308 11.7928 11.7928 12.6533 12.6533 12.7345 12.7345 13.2942 13.2942 k = 0.0776 0.0776 0.2276 ( 4794 PWs) bands (ev): -50.9400 -50.9400 -50.9400 -50.9400 -25.2549 -25.2549 -25.2541 -25.2541 -17.5391 -17.5391 -17.5379 -17.5379 -17.5283 -17.5283 -17.5237 -17.5237 -1.8734 -1.8734 -0.6582 -0.6582 0.9124 0.9124 5.5878 5.5878 6.4185 6.4185 7.6332 7.6332 8.0813 8.0813 8.5103 8.5103 9.0556 9.0556 9.2928 9.2928 9.6492 9.6492 9.8760 9.8760 10.4399 10.4399 10.8393 10.8393 11.8159 11.8159 12.6099 12.6099 12.7349 12.7349 13.2891 13.2891 k = 0.0690 0.0690 0.2276 ( 4792 PWs) bands (ev): -50.9401 -50.9401 -50.9400 -50.9400 -25.2546 -25.2546 -25.2539 -25.2539 -17.5381 -17.5381 -17.5369 -17.5369 -17.5281 -17.5281 -17.5236 -17.5236 -1.8947 -1.8947 -0.6817 -0.6817 0.9073 0.9073 5.5623 5.5623 6.5171 6.5171 7.7043 7.7043 8.1628 8.1628 8.5754 8.5754 9.0984 9.0984 9.2357 9.2357 9.6099 9.6099 9.7920 9.7920 10.4210 10.4210 10.8575 10.8575 11.8368 11.8368 12.5293 12.5293 12.7793 12.7793 13.2819 13.2819 k = 0.0603 0.0603 0.2276 ( 4812 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2546 -25.2546 -25.2538 -25.2538 -17.5373 -17.5373 -17.5361 -17.5361 -17.5281 -17.5281 -17.5236 -17.5236 -1.9136 -1.9136 -0.7025 -0.7025 0.9027 0.9027 5.5396 5.5396 6.6122 6.6122 7.7737 7.7737 8.2439 8.2439 8.6322 8.6322 9.1332 9.1332 9.1756 9.1756 9.5699 9.5699 9.7071 9.7071 10.4078 10.4078 10.8815 10.8815 11.8556 11.8556 12.4492 12.4492 12.8294 12.8294 13.2709 13.2709 k = 0.0517 0.0517 0.2276 ( 4808 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2544 -25.2544 -25.2536 -25.2536 -17.5365 -17.5365 -17.5353 -17.5353 -17.5280 -17.5280 -17.5235 -17.5235 -1.9300 -1.9300 -0.7207 -0.7207 0.8987 0.8987 5.5198 5.5198 6.7023 6.7023 7.8400 7.8400 8.3244 8.3244 8.6804 8.6804 9.0908 9.0908 9.1842 9.1842 9.5304 9.5304 9.6229 9.6229 10.4001 10.4001 10.9088 10.9088 11.8722 11.8722 12.3738 12.3738 12.8809 12.8809 13.2547 13.2547 k = 0.0431 0.0431 0.2276 ( 4812 PWs) bands (ev): -50.9401 -50.9401 -50.9401 -50.9401 -25.2543 -25.2543 -25.2535 -25.2535 -17.5359 -17.5359 -17.5347 -17.5347 -17.5280 -17.5280 -17.5234 -17.5234 -1.9440 -1.9440 -0.7361 -0.7361 0.8952 0.8952 5.5029 5.5029 6.7855 6.7855 7.9017 7.9017 8.4035 8.4035 8.7200 8.7200 9.0208 9.0208 9.2134 9.2134 9.4928 9.4928 9.5427 9.5427 10.3965 10.3965 10.9373 10.9373 11.8867 11.8867 12.3051 12.3051 12.9320 12.9320 13.2341 13.2341 k = 0.0345 0.0345 0.2276 ( 4826 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2542 -25.2542 -25.2535 -25.2535 -17.5354 -17.5354 -17.5342 -17.5342 -17.5280 -17.5280 -17.5234 -17.5234 -1.9554 -1.9554 -0.7488 -0.7488 0.8924 0.8924 5.4891 5.4891 6.8596 6.8596 7.9568 7.9568 8.4799 8.4799 8.7512 8.7512 8.9542 8.9542 9.2313 9.2313 9.4587 9.4587 9.4729 9.4729 10.3957 10.3957 10.9649 10.9649 11.8989 11.8989 12.2449 12.2449 12.9816 12.9816 13.2120 13.2120 k = 0.0259 0.0259 0.2276 ( 4822 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2541 -25.2541 -25.2534 -25.2534 -17.5350 -17.5350 -17.5337 -17.5337 -17.5280 -17.5280 -17.5234 -17.5234 -1.9643 -1.9643 -0.7587 -0.7587 0.8902 0.8902 5.4783 5.4783 6.9218 6.9218 8.0031 8.0031 8.5513 8.5513 8.7739 8.7739 8.8971 8.8971 9.2283 9.2283 9.4217 9.4217 9.4321 9.4321 10.3963 10.3963 10.9895 10.9895 11.9088 11.9088 12.1949 12.1949 13.0288 13.0288 13.1914 13.1914 k = 0.0172 0.0172 0.2276 ( 4818 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2540 -25.2540 -25.2533 -25.2533 -17.5346 -17.5346 -17.5334 -17.5334 -17.5279 -17.5279 -17.5233 -17.5233 -1.9707 -1.9707 -0.7658 -0.7658 0.8887 0.8887 5.4706 5.4706 6.9691 6.9691 8.0383 8.0383 8.6134 8.6134 8.7871 8.7871 8.8549 8.8549 9.2024 9.2024 9.3953 9.3953 9.4143 9.4143 10.3974 10.3974 11.0092 11.0092 11.9161 11.9161 12.1572 12.1572 13.0718 13.0718 13.1746 13.1746 k = 0.0086 0.0086 0.2276 ( 4814 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2540 -25.2540 -25.2533 -25.2533 -17.5344 -17.5344 -17.5332 -17.5332 -17.5279 -17.5279 -17.5233 -17.5233 -1.9745 -1.9745 -0.7701 -0.7701 0.8877 0.8877 5.4659 5.4659 6.9989 6.9989 8.0604 8.0604 8.6582 8.6582 8.7891 8.7891 8.8335 8.8335 9.1718 9.1718 9.3824 9.3824 9.4078 9.4078 10.3983 10.3983 11.0219 11.0219 11.9207 11.9207 12.1335 12.1335 13.1072 13.1072 13.1626 13.1626 k = 0.0000 0.0000 0.2276 ( 4804 PWs) bands (ev): -50.9402 -50.9402 -50.9402 -50.9402 -25.2539 -25.2539 -25.2533 -25.2533 -17.5342 -17.5342 -17.5331 -17.5331 -17.5279 -17.5279 -17.5233 -17.5233 -1.9758 -1.9758 -0.7715 -0.7715 0.8874 0.8874 5.4644 5.4644 7.0091 7.0091 8.0680 8.0680 8.6752 8.6752 8.7868 8.7868 8.8289 8.8289 9.1584 9.1584 9.3780 9.3780 9.4068 9.4068 10.3986 10.3986 11.0263 11.0263 11.9223 11.9223 12.1254 12.1254 13.1240 13.1240 13.1567 13.1567 k = 0.0000 0.5000-0.0000 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3015 -0.3015 -0.3015 -0.3015 2.1738 2.1738 2.1738 2.1738 5.3096 5.3096 5.3096 5.3096 8.7749 8.7749 8.7749 8.7749 9.1793 9.1793 9.1793 9.1793 9.8066 9.8066 9.8066 9.8066 10.8286 10.8286 10.8286 10.8286 11.9599 11.9599 11.9599 11.9599 13.5312 13.5312 13.5312 13.5312 k = 0.0000 0.5000 0.0120 ( 4800 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3013 -0.3013 -0.3013 -0.3013 2.1729 2.1729 2.1729 2.1729 5.3124 5.3124 5.3124 5.3124 8.7715 8.7715 8.7715 8.7715 9.1673 9.1673 9.1673 9.1673 9.8185 9.8185 9.8185 9.8185 10.8306 10.8306 10.8306 10.8306 11.9619 11.9619 11.9619 11.9619 13.5341 13.5341 13.5341 13.5341 k = 0.0000 0.5000 0.0240 ( 4804 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3009 -0.3009 -0.3009 -0.3009 2.1703 2.1703 2.1703 2.1703 5.3210 5.3210 5.3210 5.3210 8.7607 8.7607 8.7607 8.7607 9.1349 9.1349 9.1349 9.1349 9.8512 9.8512 9.8512 9.8512 10.8367 10.8367 10.8367 10.8367 11.9678 11.9678 11.9678 11.9678 13.5428 13.5428 13.5428 13.5428 k = 0.0000 0.5000 0.0359 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5163 -17.5163 -17.5163 -17.5163 -0.3002 -0.3002 -0.3002 -0.3002 2.1662 2.1662 2.1662 2.1662 5.3352 5.3352 5.3352 5.3352 8.7409 8.7409 8.7409 8.7409 9.0907 9.0907 9.0907 9.0907 9.8978 9.8978 9.8978 9.8978 10.8467 10.8467 10.8467 10.8467 11.9776 11.9776 11.9776 11.9776 13.5571 13.5571 13.5571 13.5571 k = 0.0000 0.5000 0.0479 ( 4808 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5163 -17.5163 -17.5163 -17.5163 -0.2993 -0.2993 -0.2993 -0.2993 2.1605 2.1605 2.1605 2.1605 5.3547 5.3547 5.3547 5.3547 8.7098 8.7098 8.7098 8.7098 9.0436 9.0436 9.0436 9.0436 9.9518 9.9518 9.9518 9.9518 10.8605 10.8605 10.8605 10.8605 11.9913 11.9913 11.9913 11.9913 13.5767 13.5767 13.5767 13.5767 k = 0.0000 0.5000 0.0599 ( 4796 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5162 -17.5162 -17.5162 -17.5162 -0.2981 -0.2981 -0.2981 -0.2981 2.1535 2.1535 2.1535 2.1535 5.3792 5.3792 5.3792 5.3792 8.6652 8.6652 8.6652 8.6652 9.0008 9.0008 9.0008 9.0008 10.0084 10.0084 10.0084 10.0084 10.8777 10.8777 10.8777 10.8777 12.0088 12.0088 12.0088 12.0088 13.6009 13.6009 13.6009 13.6009 k = 0.0000 0.5000 0.0719 ( 4792 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2617 -25.2617 -25.2617 -25.2617 -17.5879 -17.5879 -17.5879 -17.5879 -17.5162 -17.5162 -17.5162 -17.5162 -0.2968 -0.2968 -0.2968 -0.2968 2.1455 2.1455 2.1455 2.1455 5.4082 5.4082 5.4082 5.4082 8.6071 8.6071 8.6071 8.6071 8.9662 8.9662 8.9662 8.9662 10.0643 10.0643 10.0643 10.0643 10.8981 10.8981 10.8981 10.8981 12.0299 12.0299 12.0299 12.0299 13.6289 13.6289 13.6289 13.6289 k = 0.0000 0.5000 0.0839 ( 4798 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5879 -17.5879 -17.5879 -17.5879 -17.5162 -17.5162 -17.5162 -17.5162 -0.2953 -0.2953 -0.2953 -0.2953 2.1365 2.1365 2.1365 2.1365 5.4411 5.4411 5.4411 5.4411 8.5379 8.5379 8.5379 8.5379 8.9397 8.9397 8.9397 8.9397 10.1177 10.1177 10.1177 10.1177 10.9213 10.9213 10.9213 10.9213 12.0543 12.0543 12.0543 12.0543 13.6588 13.6588 13.6588 13.6588 k = 0.0000 0.5000 0.0959 ( 4802 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5162 -17.5162 -17.5162 -17.5162 -0.2936 -0.2936 -0.2936 -0.2936 2.1270 2.1270 2.1270 2.1270 5.4775 5.4775 5.4775 5.4775 8.4614 8.4614 8.4614 8.4614 8.9197 8.9197 8.9197 8.9197 10.1671 10.1671 10.1671 10.1671 10.9466 10.9466 10.9466 10.9466 12.0817 12.0817 12.0817 12.0817 13.6866 13.6866 13.6866 13.6866 k = 0.0000 0.5000 0.1078 ( 4822 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5880 -17.5880 -17.5163 -17.5163 -17.5163 -17.5163 -0.2919 -0.2919 -0.2919 -0.2919 2.1172 2.1172 2.1172 2.1172 5.5165 5.5165 5.5165 5.5165 8.3812 8.3812 8.3812 8.3812 8.9042 8.9042 8.9042 8.9042 10.2118 10.2118 10.2118 10.2118 10.9737 10.9737 10.9737 10.9737 12.1113 12.1113 12.1113 12.1113 13.7018 13.7018 13.7018 13.7018 k = 0.0000 0.5000 0.1198 ( 4814 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5880 -17.5880 -17.5163 -17.5163 -17.5163 -17.5163 -0.2902 -0.2902 -0.2902 -0.2902 2.1073 2.1073 2.1073 2.1073 5.5572 5.5572 5.5572 5.5572 8.3003 8.3003 8.3003 8.3003 8.8919 8.8919 8.8919 8.8919 10.2516 10.2516 10.2516 10.2516 11.0016 11.0016 11.0016 11.0016 12.1424 12.1424 12.1424 12.1424 13.6866 13.6866 13.6866 13.6866 k = 0.0000 0.5000 0.1318 ( 4814 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5880 -17.5880 -17.5880 -17.5880 -17.5162 -17.5162 -17.5162 -17.5162 -0.2885 -0.2885 -0.2885 -0.2885 2.0976 2.0976 2.0976 2.0976 5.5988 5.5988 5.5988 5.5988 8.2209 8.2209 8.2209 8.2209 8.8817 8.8817 8.8817 8.8817 10.2862 10.2862 10.2862 10.2862 11.0299 11.0299 11.0299 11.0299 12.1742 12.1742 12.1742 12.1742 13.6410 13.6410 13.6410 13.6410 k = 0.0000 0.5000 0.1438 ( 4820 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2619 -25.2619 -25.2619 -25.2619 -17.5881 -17.5881 -17.5881 -17.5881 -17.5163 -17.5163 -17.5163 -17.5163 -0.2868 -0.2868 -0.2868 -0.2868 2.0884 2.0884 2.0884 2.0884 5.6401 5.6401 5.6401 5.6401 8.1451 8.1451 8.1451 8.1451 8.8733 8.8733 8.8733 8.8733 10.3159 10.3159 10.3159 10.3159 11.0576 11.0576 11.0576 11.0576 12.2055 12.2055 12.2055 12.2055 13.5842 13.5842 13.5842 13.5842 k = 0.0000 0.5000 0.1558 ( 4810 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5162 -17.5162 -17.5162 -17.5162 -0.2853 -0.2853 -0.2853 -0.2853 2.0799 2.0799 2.0799 2.0799 5.6800 5.6800 5.6800 5.6800 8.0746 8.0746 8.0746 8.0746 8.8663 8.8663 8.8663 8.8663 10.3409 10.3409 10.3409 10.3409 11.0839 11.0839 11.0839 11.0839 12.2355 12.2355 12.2355 12.2355 13.5276 13.5276 13.5276 13.5276 k = 0.0000 0.5000 0.1677 ( 4802 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5161 -17.5161 -17.5161 -17.5161 -0.2839 -0.2839 -0.2839 -0.2839 2.0723 2.0723 2.0723 2.0723 5.7171 5.7171 5.7171 5.7171 8.0112 8.0112 8.0112 8.0112 8.8605 8.8605 8.8605 8.8605 10.3613 10.3613 10.3613 10.3613 11.1081 11.1081 11.1081 11.1081 12.2629 12.2629 12.2629 12.2629 13.4760 13.4760 13.4760 13.4760 k = 0.0000 0.5000 0.1797 ( 4802 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5161 -17.5161 -17.5161 -17.5161 -0.2827 -0.2827 -0.2827 -0.2827 2.0658 2.0658 2.0658 2.0658 5.7501 5.7501 5.7501 5.7501 7.9565 7.9565 7.9565 7.9565 8.8558 8.8558 8.8558 8.8558 10.3775 10.3775 10.3775 10.3775 11.1293 11.1293 11.1293 11.1293 12.2869 12.2869 12.2869 12.2869 13.4317 13.4317 13.4317 13.4317 k = 0.0000 0.5000 0.1917 ( 4796 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5880 -17.5880 -17.5880 -17.5880 -17.5161 -17.5161 -17.5161 -17.5161 -0.2817 -0.2817 -0.2817 -0.2817 2.0606 2.0606 2.0606 2.0606 5.7776 5.7776 5.7776 5.7776 7.9119 7.9119 7.9119 7.9119 8.8522 8.8522 8.8522 8.8522 10.3898 10.3898 10.3898 10.3898 11.1468 11.1468 11.1468 11.1468 12.3065 12.3065 12.3065 12.3065 13.3960 13.3960 13.3960 13.3960 k = 0.0000 0.5000 0.2037 ( 4800 PWs) bands (ev): -50.9389 -50.9389 -50.9389 -50.9389 -25.2618 -25.2618 -25.2618 -25.2618 -17.5881 -17.5881 -17.5881 -17.5881 -17.5161 -17.5161 -17.5161 -17.5161 -0.2810 -0.2810 -0.2810 -0.2810 2.0568 2.0568 2.0568 2.0568 5.7983 5.7983 5.7983 5.7983 7.8789 7.8789 7.8789 7.8789 8.8496 8.8496 8.8496 8.8496 10.3984 10.3984 10.3984 10.3984 11.1598 11.1598 11.1598 11.1598 12.3210 12.3210 12.3210 12.3210 13.3698 13.3698 13.3698 13.3698 k = 0.0000 0.5000 0.2157 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5881 -17.5881 -17.5881 -17.5881 -17.5162 -17.5162 -17.5162 -17.5162 -0.2806 -0.2806 -0.2806 -0.2806 2.0545 2.0545 2.0545 2.0545 5.8112 5.8112 5.8112 5.8112 7.8586 7.8586 7.8586 7.8586 8.8481 8.8481 8.8481 8.8481 10.4035 10.4035 10.4035 10.4035 11.1678 11.1678 11.1678 11.1678 12.3300 12.3300 12.3300 12.3300 13.3539 13.3539 13.3539 13.3539 k = 0.0000 0.5000 0.2276 ( 4812 PWs) bands (ev): -50.9390 -50.9390 -50.9390 -50.9390 -25.2618 -25.2618 -25.2618 -25.2618 -17.5881 -17.5881 -17.5881 -17.5881 -17.5161 -17.5161 -17.5161 -17.5161 -0.2804 -0.2804 -0.2804 -0.2804 2.0537 2.0537 2.0537 2.0537 5.8156 5.8156 5.8156 5.8156 7.8518 7.8518 7.8518 7.8518 8.8475 8.8475 8.8475 8.8475 10.4052 10.4052 10.4052 10.4052 11.1705 11.1705 11.1705 11.1705 12.3330 12.3330 12.3330 12.3330 13.3485 13.3485 13.3485 13.3485 k = 0.5000 0.5000-0.0000 ( 4816 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2692 -25.2692 -25.2692 -25.2692 -17.6078 -17.6078 -17.6078 -17.6078 -17.5332 -17.5332 -17.5332 -17.5332 0.1782 0.1782 0.1782 0.1782 3.4471 3.4471 3.4471 3.4471 5.6040 5.6040 5.6040 5.6040 6.2747 6.2747 6.2747 6.2747 7.6608 7.6608 7.6608 7.6608 8.2058 8.2058 8.2058 8.2058 9.5751 9.5751 9.5751 9.5751 13.9030 13.9030 13.9030 13.9030 14.3775 14.3775 14.3775 14.3775 k = 0.5000 0.5000 0.0120 ( 4828 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2693 -25.2693 -25.2693 -25.2693 -17.6078 -17.6078 -17.6078 -17.6078 -17.5333 -17.5333 -17.5333 -17.5333 0.1782 0.1782 0.1782 0.1782 3.4471 3.4471 3.4471 3.4471 5.6039 5.6039 5.6039 5.6039 6.2710 6.2710 6.2710 6.2710 7.6660 7.6660 7.6660 7.6660 8.2074 8.2074 8.2074 8.2074 9.5747 9.5747 9.5747 9.5747 13.8980 13.8980 13.8980 13.8980 14.3734 14.3734 14.3734 14.3734 k = 0.5000 0.5000 0.0240 ( 4836 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2693 -25.2693 -25.2693 -25.2693 -17.6078 -17.6078 -17.6078 -17.6078 -17.5333 -17.5333 -17.5333 -17.5333 0.1784 0.1784 0.1784 0.1784 3.4471 3.4471 3.4471 3.4471 5.6036 5.6036 5.6036 5.6036 6.2601 6.2601 6.2601 6.2601 7.6814 7.6814 7.6814 7.6814 8.2123 8.2123 8.2123 8.2123 9.5735 9.5735 9.5735 9.5735 13.8821 13.8821 13.8821 13.8821 14.3602 14.3602 14.3602 14.3602 k = 0.5000 0.5000 0.0359 ( 4844 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2694 -25.2694 -25.2694 -25.2694 -17.6078 -17.6078 -17.6078 -17.6078 -17.5334 -17.5334 -17.5334 -17.5334 0.1787 0.1787 0.1787 0.1787 3.4471 3.4471 3.4471 3.4471 5.6031 5.6031 5.6031 5.6031 6.2427 6.2427 6.2427 6.2427 7.7056 7.7056 7.7056 7.7056 8.2208 8.2208 8.2208 8.2208 9.5716 9.5716 9.5716 9.5716 13.8526 13.8526 13.8526 13.8526 14.3357 14.3357 14.3357 14.3357 k = 0.5000 0.5000 0.0479 ( 4860 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2694 -25.2694 -25.2694 -25.2694 -17.6079 -17.6079 -17.6079 -17.6079 -17.5334 -17.5334 -17.5334 -17.5334 0.1792 0.1792 0.1792 0.1792 3.4470 3.4470 3.4470 3.4470 5.6024 5.6024 5.6024 5.6024 6.2200 6.2200 6.2200 6.2200 7.7371 7.7371 7.7371 7.7371 8.2332 8.2332 8.2332 8.2332 9.5690 9.5690 9.5690 9.5690 13.8056 13.8056 13.8056 13.8056 14.2998 14.2998 14.2998 14.2998 k = 0.5000 0.5000 0.0599 ( 4856 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2694 -25.2694 -25.2694 -25.2694 -17.6079 -17.6079 -17.6079 -17.6079 -17.5334 -17.5334 -17.5334 -17.5334 0.1797 0.1797 0.1797 0.1797 3.4470 3.4470 3.4470 3.4470 5.6015 5.6015 5.6015 5.6015 6.1932 6.1932 6.1932 6.1932 7.7734 7.7734 7.7734 7.7734 8.2503 8.2503 8.2503 8.2503 9.5658 9.5658 9.5658 9.5658 13.7377 13.7377 13.7377 13.7377 14.2588 14.2588 14.2588 14.2588 k = 0.5000 0.5000 0.0719 ( 4856 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2694 -25.2694 -25.2694 -25.2694 -17.6079 -17.6079 -17.6079 -17.6079 -17.5334 -17.5334 -17.5334 -17.5334 0.1803 0.1803 0.1803 0.1803 3.4469 3.4469 3.4469 3.4469 5.6004 5.6004 5.6004 5.6004 6.1637 6.1637 6.1637 6.1637 7.8122 7.8122 7.8122 7.8122 8.2728 8.2728 8.2728 8.2728 9.5620 9.5620 9.5620 9.5620 13.6489 13.6489 13.6489 13.6489 14.2214 14.2214 14.2214 14.2214 k = 0.5000 0.5000 0.0839 ( 4856 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2694 -25.2694 -25.2694 -25.2694 -17.6079 -17.6079 -17.6079 -17.6079 -17.5334 -17.5334 -17.5334 -17.5334 0.1810 0.1810 0.1810 0.1810 3.4469 3.4469 3.4469 3.4469 5.5991 5.5991 5.5991 5.5991 6.1328 6.1328 6.1328 6.1328 7.8509 7.8509 7.8509 7.8509 8.3014 8.3014 8.3014 8.3014 9.5578 9.5578 9.5578 9.5578 13.5432 13.5432 13.5432 13.5432 14.1919 14.1919 14.1919 14.1919 k = 0.5000 0.5000 0.0959 ( 4864 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5335 -17.5335 -17.5335 -17.5335 0.1818 0.1818 0.1818 0.1818 3.4468 3.4468 3.4468 3.4468 5.5975 5.5975 5.5975 5.5975 6.1014 6.1014 6.1014 6.1014 7.8873 7.8873 7.8873 7.8873 8.3365 8.3365 8.3365 8.3365 9.5532 9.5532 9.5532 9.5532 13.4266 13.4266 13.4266 13.4266 14.1702 14.1702 14.1702 14.1702 k = 0.5000 0.5000 0.1078 ( 4864 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5335 -17.5335 -17.5335 -17.5335 0.1826 0.1826 0.1826 0.1826 3.4467 3.4467 3.4467 3.4467 5.5958 5.5958 5.5958 5.5958 6.0706 6.0706 6.0706 6.0706 7.9198 7.9198 7.9198 7.9198 8.3781 8.3781 8.3781 8.3781 9.5485 9.5485 9.5485 9.5485 13.3051 13.3051 13.3051 13.3051 14.1546 14.1546 14.1546 14.1546 k = 0.5000 0.5000 0.1198 ( 4864 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6078 -17.6078 -17.6078 -17.6078 -17.5335 -17.5335 -17.5335 -17.5335 0.1834 0.1834 0.1834 0.1834 3.4466 3.4466 3.4466 3.4466 5.5939 5.5939 5.5939 5.5939 6.0412 6.0412 6.0412 6.0412 7.9478 7.9478 7.9478 7.9478 8.4251 8.4251 8.4251 8.4251 9.5436 9.5436 9.5436 9.5436 13.1833 13.1833 13.1833 13.1833 14.1432 14.1432 14.1432 14.1432 k = 0.5000 0.5000 0.1318 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5335 -17.5335 -17.5335 -17.5335 0.1842 0.1842 0.1842 0.1842 3.4466 3.4466 3.4466 3.4466 5.5919 5.5919 5.5919 5.5919 6.0137 6.0137 6.0137 6.0137 7.9710 7.9710 7.9710 7.9710 8.4759 8.4759 8.4759 8.4759 9.5389 9.5389 9.5389 9.5389 13.0649 13.0649 13.0649 13.0649 14.1349 14.1349 14.1349 14.1349 k = 0.5000 0.5000 0.1438 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5335 -17.5335 -17.5335 -17.5335 0.1850 0.1850 0.1850 0.1850 3.4465 3.4465 3.4465 3.4465 5.5897 5.5897 5.5897 5.5897 5.9887 5.9887 5.9887 5.9887 7.9899 7.9899 7.9899 7.9899 8.5284 8.5284 8.5284 8.5284 9.5343 9.5343 9.5343 9.5343 12.9530 12.9530 12.9530 12.9530 14.1287 14.1287 14.1287 14.1287 k = 0.5000 0.5000 0.1558 ( 4868 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5335 -17.5335 -17.5335 -17.5335 0.1857 0.1857 0.1857 0.1857 3.4464 3.4464 3.4464 3.4464 5.5876 5.5876 5.5876 5.5876 5.9665 5.9665 5.9665 5.9665 8.0051 8.0051 8.0051 8.0051 8.5802 8.5802 8.5802 8.5802 9.5300 9.5300 9.5300 9.5300 12.8501 12.8501 12.8501 12.8501 14.1241 14.1241 14.1241 14.1241 k = 0.5000 0.5000 0.1677 ( 4880 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5336 -17.5336 -17.5336 -17.5336 0.1863 0.1863 0.1863 0.1863 3.4464 3.4464 3.4464 3.4464 5.5855 5.5855 5.5855 5.5855 5.9474 5.9474 5.9474 5.9474 8.0171 8.0171 8.0171 8.0171 8.6289 8.6289 8.6289 8.6289 9.5262 9.5262 9.5262 9.5262 12.7585 12.7585 12.7585 12.7585 14.1206 14.1206 14.1206 14.1206 k = 0.5000 0.5000 0.1797 ( 4888 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2696 -25.2696 -25.2696 -25.2696 -17.6079 -17.6079 -17.6079 -17.6079 -17.5336 -17.5336 -17.5336 -17.5336 0.1869 0.1869 0.1869 0.1869 3.4463 3.4463 3.4463 3.4463 5.5835 5.5835 5.5835 5.5835 5.9317 5.9317 5.9317 5.9317 8.0264 8.0264 8.0264 8.0264 8.6724 8.6724 8.6724 8.6724 9.5229 9.5229 9.5229 9.5229 12.6802 12.6802 12.6802 12.6802 14.1180 14.1180 14.1180 14.1180 k = 0.5000 0.5000 0.1917 ( 4880 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5336 -17.5336 -17.5336 -17.5336 0.1873 0.1873 0.1873 0.1873 3.4463 3.4463 3.4463 3.4463 5.5819 5.5819 5.5819 5.5819 5.9194 5.9194 5.9194 5.9194 8.0332 8.0332 8.0332 8.0332 8.7085 8.7085 8.7085 8.7085 9.5202 9.5202 9.5202 9.5202 12.6172 12.6172 12.6172 12.6172 14.1161 14.1161 14.1161 14.1161 k = 0.5000 0.5000 0.2037 ( 4864 PWs) bands (ev): -50.9377 -50.9377 -50.9377 -50.9377 -25.2694 -25.2694 -25.2694 -25.2694 -17.6078 -17.6078 -17.6078 -17.6078 -17.5335 -17.5335 -17.5335 -17.5335 0.1876 0.1876 0.1876 0.1876 3.4462 3.4462 3.4462 3.4462 5.5806 5.5806 5.5806 5.5806 5.9106 5.9106 5.9106 5.9106 8.0380 8.0380 8.0380 8.0380 8.7357 8.7357 8.7357 8.7357 9.5182 9.5182 9.5182 9.5182 12.5709 12.5709 12.5709 12.5709 14.1149 14.1149 14.1149 14.1149 k = 0.5000 0.5000 0.2157 ( 4880 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6079 -17.6079 -17.6079 -17.6079 -17.5336 -17.5336 -17.5336 -17.5336 0.1878 0.1878 0.1878 0.1878 3.4462 3.4462 3.4462 3.4462 5.5798 5.5798 5.5798 5.5798 5.9053 5.9053 5.9053 5.9053 8.0408 8.0408 8.0408 8.0408 8.7526 8.7526 8.7526 8.7526 9.5170 9.5170 9.5170 9.5170 12.5426 12.5426 12.5426 12.5426 14.1141 14.1141 14.1141 14.1141 k = 0.5000 0.5000 0.2276 ( 4872 PWs) bands (ev): -50.9378 -50.9378 -50.9378 -50.9378 -25.2695 -25.2695 -25.2695 -25.2695 -17.6078 -17.6078 -17.6078 -17.6078 -17.5336 -17.5336 -17.5336 -17.5336 0.1879 0.1879 0.1879 0.1879 3.4462 3.4462 3.4462 3.4462 5.5795 5.5795 5.5795 5.5795 5.9036 5.9036 5.9036 5.9036 8.0417 8.0417 8.0417 8.0417 8.7583 8.7583 8.7583 8.7583 9.5166 9.5166 9.5166 9.5166 12.5331 12.5331 12.5331 12.5331 14.1139 14.1139 14.1139 14.1139 Writing output data file HfGeTe.save init_run : 0.52s CPU 0.70s WALL ( 1 calls) electrons : 175.35s CPU 177.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 175.34s CPU 177.98s 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 : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 346 calls) cegterg : 161.20s CPU 163.27s WALL ( 532 calls) Called by sum_band: Called by *egterg: h_psi : 79.73s CPU 81.71s WALL ( 8624 calls) s_psi : 6.75s CPU 6.99s WALL ( 8624 calls) g_psi : 0.28s CPU 0.31s WALL ( 7746 calls) cdiaghg : 64.26s CPU 63.44s WALL ( 8092 calls) cegterg:over : 7.76s CPU 7.77s WALL ( 7746 calls) cegterg:upda : 6.62s CPU 7.18s WALL ( 7746 calls) cegterg:last : 3.80s CPU 4.05s WALL ( 1449 calls) cdiaghg:chol : 3.63s CPU 3.62s WALL ( 8092 calls) cdiaghg:inve : 2.44s CPU 2.40s WALL ( 8092 calls) cdiaghg:para : 3.72s CPU 4.04s WALL ( 16184 calls) Called by h_psi: h_psi:vloc : 63.32s CPU 65.56s WALL ( 8624 calls) h_psi:vnl : 16.20s CPU 15.87s WALL ( 8624 calls) add_vuspsi : 8.40s CPU 8.17s WALL ( 8624 calls) General routines calbec : 7.75s CPU 7.68s WALL ( 8624 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.12s CPU 61.21s WALL ( 900432 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.25s WALL ( 692 calls) Parallel routines fft_scatter : 22.83s CPU 23.97s WALL ( 900455 calls) PWSCF : 3m13.72s CPU 3m27.01s WALL This run was terminated on: 19:10:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=