Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:13 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: ./ZrGeTe.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 23 23 6 1145 1145 178 Max 24 24 7 1156 1156 189 Sum 853 853 249 41453 41453 6655 bravais-lattice index = 14 lattice parameter (alat) = 7.3057 a.u. unit-cell volume = 867.2976 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.305681 celldm(2)= 1.000000 celldm(3)= 2.224263 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 2.224263 ) 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 0.449587 ) 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 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) Zr 4.00 91.22400 Zr( 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 0.0118312), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0236625), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0354937), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0473250), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.0591562), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.0709874), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.0828187), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.0946499), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.1064812), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.1183124), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.1301437), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.1419749), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.1538061), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.1656374), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.1774686), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.1892999), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.2011311), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.2129623), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.2247936), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.2247936), wk = 0.0028902 k( 165) = ( 0.0000000 0.0121951 0.2247936), wk = 0.0028902 k( 166) = ( 0.0000000 0.0243902 0.2247936), wk = 0.0028902 k( 167) = ( 0.0000000 0.0365854 0.2247936), wk = 0.0028902 k( 168) = ( 0.0000000 0.0487805 0.2247936), wk = 0.0028902 k( 169) = ( 0.0000000 0.0609756 0.2247936), wk = 0.0028902 k( 170) = ( 0.0000000 0.0731707 0.2247936), wk = 0.0028902 k( 171) = ( 0.0000000 0.0853658 0.2247936), wk = 0.0028902 k( 172) = ( 0.0000000 0.0975610 0.2247936), wk = 0.0028902 k( 173) = ( 0.0000000 0.1097561 0.2247936), wk = 0.0028902 k( 174) = ( 0.0000000 0.1219512 0.2247936), wk = 0.0028902 k( 175) = ( 0.0000000 0.1341463 0.2247936), wk = 0.0028902 k( 176) = ( 0.0000000 0.1463415 0.2247936), wk = 0.0028902 k( 177) = ( 0.0000000 0.1585366 0.2247936), wk = 0.0028902 k( 178) = ( 0.0000000 0.1707317 0.2247936), wk = 0.0028902 k( 179) = ( 0.0000000 0.1829268 0.2247936), wk = 0.0028902 k( 180) = ( 0.0000000 0.1951219 0.2247936), wk = 0.0028902 k( 181) = ( 0.0000000 0.2073171 0.2247936), wk = 0.0028902 k( 182) = ( 0.0000000 0.2195122 0.2247936), wk = 0.0028902 k( 183) = ( 0.0000000 0.2317073 0.2247936), wk = 0.0028902 k( 184) = ( 0.0000000 0.2439024 0.2247936), wk = 0.0028902 k( 185) = ( 0.0000000 0.2560976 0.2247936), wk = 0.0028902 k( 186) = ( 0.0000000 0.2682927 0.2247936), wk = 0.0028902 k( 187) = ( 0.0000000 0.2804878 0.2247936), wk = 0.0028902 k( 188) = ( 0.0000000 0.2926829 0.2247936), wk = 0.0028902 k( 189) = ( 0.0000000 0.3048781 0.2247936), wk = 0.0028902 k( 190) = ( 0.0000000 0.3170732 0.2247936), wk = 0.0028902 k( 191) = ( 0.0000000 0.3292683 0.2247936), wk = 0.0028902 k( 192) = ( 0.0000000 0.3414634 0.2247936), wk = 0.0028902 k( 193) = ( 0.0000000 0.3536585 0.2247936), wk = 0.0028902 k( 194) = ( 0.0000000 0.3658537 0.2247936), wk = 0.0028902 k( 195) = ( 0.0000000 0.3780488 0.2247936), wk = 0.0028902 k( 196) = ( 0.0000000 0.3902439 0.2247936), wk = 0.0028902 k( 197) = ( 0.0000000 0.4024390 0.2247936), wk = 0.0028902 k( 198) = ( 0.0000000 0.4146341 0.2247936), wk = 0.0028902 k( 199) = ( 0.0000000 0.4268293 0.2247936), wk = 0.0028902 k( 200) = ( 0.0000000 0.4390244 0.2247936), wk = 0.0028902 k( 201) = ( 0.0000000 0.4512195 0.2247936), wk = 0.0028902 k( 202) = ( 0.0000000 0.4634146 0.2247936), wk = 0.0028902 k( 203) = ( 0.0000000 0.4756098 0.2247936), wk = 0.0028902 k( 204) = ( 0.0000000 0.4878049 0.2247936), wk = 0.0028902 k( 205) = ( 0.0000000 0.5000000 0.2247936), wk = 0.0028902 k( 206) = ( 0.0000000 0.5000000 0.2247936), wk = 0.0028902 k( 207) = ( 0.0121951 0.5000000 0.2247936), wk = 0.0028902 k( 208) = ( 0.0243902 0.5000000 0.2247936), wk = 0.0028902 k( 209) = ( 0.0365854 0.5000000 0.2247936), wk = 0.0028902 k( 210) = ( 0.0487805 0.5000000 0.2247936), wk = 0.0028902 k( 211) = ( 0.0609756 0.5000000 0.2247936), wk = 0.0028902 k( 212) = ( 0.0731707 0.5000000 0.2247936), wk = 0.0028902 k( 213) = ( 0.0853658 0.5000000 0.2247936), wk = 0.0028902 k( 214) = ( 0.0975610 0.5000000 0.2247936), wk = 0.0028902 k( 215) = ( 0.1097561 0.5000000 0.2247936), wk = 0.0028902 k( 216) = ( 0.1219512 0.5000000 0.2247936), wk = 0.0028902 k( 217) = ( 0.1341463 0.5000000 0.2247936), wk = 0.0028902 k( 218) = ( 0.1463415 0.5000000 0.2247936), wk = 0.0028902 k( 219) = ( 0.1585366 0.5000000 0.2247936), wk = 0.0028902 k( 220) = ( 0.1707317 0.5000000 0.2247936), wk = 0.0028902 k( 221) = ( 0.1829268 0.5000000 0.2247936), wk = 0.0028902 k( 222) = ( 0.1951219 0.5000000 0.2247936), wk = 0.0028902 k( 223) = ( 0.2073171 0.5000000 0.2247936), wk = 0.0028902 k( 224) = ( 0.2195122 0.5000000 0.2247936), wk = 0.0028902 k( 225) = ( 0.2317073 0.5000000 0.2247936), wk = 0.0028902 k( 226) = ( 0.2439024 0.5000000 0.2247936), wk = 0.0028902 k( 227) = ( 0.2560976 0.5000000 0.2247936), wk = 0.0028902 k( 228) = ( 0.2682927 0.5000000 0.2247936), wk = 0.0028902 k( 229) = ( 0.2804878 0.5000000 0.2247936), wk = 0.0028902 k( 230) = ( 0.2926829 0.5000000 0.2247936), wk = 0.0028902 k( 231) = ( 0.3048781 0.5000000 0.2247936), wk = 0.0028902 k( 232) = ( 0.3170732 0.5000000 0.2247936), wk = 0.0028902 k( 233) = ( 0.3292683 0.5000000 0.2247936), wk = 0.0028902 k( 234) = ( 0.3414634 0.5000000 0.2247936), wk = 0.0028902 k( 235) = ( 0.3536585 0.5000000 0.2247936), wk = 0.0028902 k( 236) = ( 0.3658537 0.5000000 0.2247936), wk = 0.0028902 k( 237) = ( 0.3780488 0.5000000 0.2247936), wk = 0.0028902 k( 238) = ( 0.3902439 0.5000000 0.2247936), wk = 0.0028902 k( 239) = ( 0.4024390 0.5000000 0.2247936), wk = 0.0028902 k( 240) = ( 0.4146341 0.5000000 0.2247936), wk = 0.0028902 k( 241) = ( 0.4268293 0.5000000 0.2247936), wk = 0.0028902 k( 242) = ( 0.4390244 0.5000000 0.2247936), wk = 0.0028902 k( 243) = ( 0.4512195 0.5000000 0.2247936), wk = 0.0028902 k( 244) = ( 0.4634146 0.5000000 0.2247936), wk = 0.0028902 k( 245) = ( 0.4756098 0.5000000 0.2247936), wk = 0.0028902 k( 246) = ( 0.4878049 0.5000000 0.2247936), wk = 0.0028902 k( 247) = ( 0.5000000 0.5000000 0.2247936), wk = 0.0028902 k( 248) = ( 0.5000000 0.5000000 0.2247936), wk = 0.0028902 k( 249) = ( 0.4913793 0.4913793 0.2247936), wk = 0.0028902 k( 250) = ( 0.4827586 0.4827586 0.2247936), wk = 0.0028902 k( 251) = ( 0.4741379 0.4741379 0.2247936), wk = 0.0028902 k( 252) = ( 0.4655172 0.4655172 0.2247936), wk = 0.0028902 k( 253) = ( 0.4568966 0.4568965 0.2247936), wk = 0.0028902 k( 254) = ( 0.4482759 0.4482759 0.2247936), wk = 0.0028902 k( 255) = ( 0.4396552 0.4396552 0.2247936), wk = 0.0028902 k( 256) = ( 0.4310345 0.4310345 0.2247936), wk = 0.0028902 k( 257) = ( 0.4224138 0.4224138 0.2247936), wk = 0.0028902 k( 258) = ( 0.4137931 0.4137931 0.2247936), wk = 0.0028902 k( 259) = ( 0.4051724 0.4051724 0.2247936), wk = 0.0028902 k( 260) = ( 0.3965517 0.3965517 0.2247936), wk = 0.0028902 k( 261) = ( 0.3879310 0.3879310 0.2247936), wk = 0.0028902 k( 262) = ( 0.3793103 0.3793103 0.2247936), wk = 0.0028902 k( 263) = ( 0.3706897 0.3706897 0.2247936), wk = 0.0028902 k( 264) = ( 0.3620690 0.3620690 0.2247936), wk = 0.0028902 k( 265) = ( 0.3534483 0.3534483 0.2247936), wk = 0.0028902 k( 266) = ( 0.3448276 0.3448276 0.2247936), wk = 0.0028902 k( 267) = ( 0.3362069 0.3362069 0.2247936), wk = 0.0028902 k( 268) = ( 0.3275862 0.3275862 0.2247936), wk = 0.0028902 k( 269) = ( 0.3189655 0.3189655 0.2247936), wk = 0.0028902 k( 270) = ( 0.3103448 0.3103448 0.2247936), wk = 0.0028902 k( 271) = ( 0.3017241 0.3017241 0.2247936), wk = 0.0028902 k( 272) = ( 0.2931034 0.2931034 0.2247936), wk = 0.0028902 k( 273) = ( 0.2844828 0.2844828 0.2247936), wk = 0.0028902 k( 274) = ( 0.2758621 0.2758621 0.2247936), wk = 0.0028902 k( 275) = ( 0.2672414 0.2672414 0.2247936), wk = 0.0028902 k( 276) = ( 0.2586207 0.2586207 0.2247936), wk = 0.0028902 k( 277) = ( 0.2500000 0.2500000 0.2247936), wk = 0.0028902 k( 278) = ( 0.2413793 0.2413793 0.2247936), wk = 0.0028902 k( 279) = ( 0.2327586 0.2327586 0.2247936), wk = 0.0028902 k( 280) = ( 0.2241379 0.2241379 0.2247936), wk = 0.0028902 k( 281) = ( 0.2155172 0.2155172 0.2247936), wk = 0.0028902 k( 282) = ( 0.2068966 0.2068965 0.2247936), wk = 0.0028902 k( 283) = ( 0.1982759 0.1982759 0.2247936), wk = 0.0028902 k( 284) = ( 0.1896552 0.1896552 0.2247936), wk = 0.0028902 k( 285) = ( 0.1810345 0.1810345 0.2247936), wk = 0.0028902 k( 286) = ( 0.1724138 0.1724138 0.2247936), wk = 0.0028902 k( 287) = ( 0.1637931 0.1637931 0.2247936), wk = 0.0028902 k( 288) = ( 0.1551724 0.1551724 0.2247936), wk = 0.0028902 k( 289) = ( 0.1465517 0.1465517 0.2247936), wk = 0.0028902 k( 290) = ( 0.1379310 0.1379310 0.2247936), wk = 0.0028902 k( 291) = ( 0.1293103 0.1293103 0.2247936), wk = 0.0028902 k( 292) = ( 0.1206897 0.1206897 0.2247936), wk = 0.0028902 k( 293) = ( 0.1120690 0.1120690 0.2247936), wk = 0.0028902 k( 294) = ( 0.1034483 0.1034483 0.2247936), wk = 0.0028902 k( 295) = ( 0.0948276 0.0948276 0.2247936), wk = 0.0028902 k( 296) = ( 0.0862069 0.0862069 0.2247936), wk = 0.0028902 k( 297) = ( 0.0775862 0.0775862 0.2247936), wk = 0.0028902 k( 298) = ( 0.0689655 0.0689655 0.2247936), wk = 0.0028902 k( 299) = ( 0.0603448 0.0603448 0.2247936), wk = 0.0028902 k( 300) = ( 0.0517241 0.0517241 0.2247936), wk = 0.0028902 k( 301) = ( 0.0431035 0.0431034 0.2247936), wk = 0.0028902 k( 302) = ( 0.0344828 0.0344828 0.2247936), wk = 0.0028902 k( 303) = ( 0.0258621 0.0258621 0.2247936), wk = 0.0028902 k( 304) = ( 0.0172414 0.0172414 0.2247936), wk = 0.0028902 k( 305) = ( 0.0086207 0.0086207 0.2247936), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.2247936), wk = 0.0028902 k( 307) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 308) = ( 0.0000000 0.5000000 0.0118312), wk = 0.0028902 k( 309) = ( 0.0000000 0.5000000 0.0236625), wk = 0.0028902 k( 310) = ( 0.0000000 0.5000000 0.0354937), wk = 0.0028902 k( 311) = ( 0.0000000 0.5000000 0.0473250), wk = 0.0028902 k( 312) = ( 0.0000000 0.5000000 0.0591562), wk = 0.0028902 k( 313) = ( 0.0000000 0.5000000 0.0709874), wk = 0.0028902 k( 314) = ( 0.0000000 0.5000000 0.0828187), wk = 0.0028902 k( 315) = ( 0.0000000 0.5000000 0.0946499), wk = 0.0028902 k( 316) = ( 0.0000000 0.5000000 0.1064812), wk = 0.0028902 k( 317) = ( 0.0000000 0.5000000 0.1183124), wk = 0.0028902 k( 318) = ( 0.0000000 0.5000000 0.1301437), wk = 0.0028902 k( 319) = ( 0.0000000 0.5000000 0.1419749), wk = 0.0028902 k( 320) = ( 0.0000000 0.5000000 0.1538061), wk = 0.0028902 k( 321) = ( 0.0000000 0.5000000 0.1656374), wk = 0.0028902 k( 322) = ( 0.0000000 0.5000000 0.1774686), wk = 0.0028902 k( 323) = ( 0.0000000 0.5000000 0.1892999), wk = 0.0028902 k( 324) = ( 0.0000000 0.5000000 0.2011311), wk = 0.0028902 k( 325) = ( 0.0000000 0.5000000 0.2129623), wk = 0.0028902 k( 326) = ( 0.0000000 0.5000000 0.2247936), wk = 0.0028902 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028902 k( 328) = ( 0.5000000 0.5000000 0.0118312), wk = 0.0028902 k( 329) = ( 0.5000000 0.5000000 0.0236625), wk = 0.0028902 k( 330) = ( 0.5000000 0.5000000 0.0354937), wk = 0.0028902 k( 331) = ( 0.5000000 0.5000000 0.0473250), wk = 0.0028902 k( 332) = ( 0.5000000 0.5000000 0.0591562), wk = 0.0028902 k( 333) = ( 0.5000000 0.5000000 0.0709874), wk = 0.0028902 k( 334) = ( 0.5000000 0.5000000 0.0828187), wk = 0.0028902 k( 335) = ( 0.5000000 0.5000000 0.0946499), wk = 0.0028902 k( 336) = ( 0.5000000 0.5000000 0.1064812), wk = 0.0028902 k( 337) = ( 0.5000000 0.5000000 0.1183124), wk = 0.0028902 k( 338) = ( 0.5000000 0.5000000 0.1301437), wk = 0.0028902 k( 339) = ( 0.5000000 0.5000000 0.1419749), wk = 0.0028902 k( 340) = ( 0.5000000 0.5000000 0.1538061), wk = 0.0028902 k( 341) = ( 0.5000000 0.5000000 0.1656374), wk = 0.0028902 k( 342) = ( 0.5000000 0.5000000 0.1774686), wk = 0.0028902 k( 343) = ( 0.5000000 0.5000000 0.1892999), wk = 0.0028902 k( 344) = ( 0.5000000 0.5000000 0.2011311), wk = 0.0028902 k( 345) = ( 0.5000000 0.5000000 0.2129623), wk = 0.0028902 k( 346) = ( 0.5000000 0.5000000 0.2247936), 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 0.1315790), 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: 41453 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 296, 36) NL pseudopotentials 0.29 Mb ( 148, 128) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1147) G-vector shells 0.00 Mb ( 530) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 296, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.14 Mb ( 128, 2, 36) The potential is recalculated from file : ./ZrGeTe.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.8 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.6 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.5 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.7 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.7 secs Computing kpt #: 38 total cpu time spent up to now is 21.2 secs Computing kpt #: 39 total cpu time spent up to now is 21.7 secs Computing kpt #: 40 total cpu time spent up to now is 22.2 secs Computing kpt #: 41 total cpu time spent up to now is 22.7 secs Computing kpt #: 42 total cpu time spent up to now is 23.2 secs Computing kpt #: 43 total cpu time spent up to now is 23.8 secs Computing kpt #: 44 total cpu time spent up to now is 24.3 secs Computing kpt #: 45 total cpu time spent up to now is 24.8 secs Computing kpt #: 46 total cpu time spent up to now is 25.3 secs Computing kpt #: 47 total cpu time spent up to now is 25.9 secs Computing kpt #: 48 total cpu time spent up to now is 26.5 secs Computing kpt #: 49 total cpu time spent up to now is 26.9 secs Computing kpt #: 50 total cpu time spent up to now is 27.4 secs Computing kpt #: 51 total cpu time spent up to now is 28.0 secs Computing kpt #: 52 total cpu time spent up to now is 28.5 secs Computing kpt #: 53 total cpu time spent up to now is 29.0 secs Computing kpt #: 54 total cpu time spent up to now is 29.5 secs Computing kpt #: 55 total cpu time spent up to now is 30.1 secs Computing kpt #: 56 total cpu time spent up to now is 30.6 secs Computing kpt #: 57 total cpu time spent up to now is 31.1 secs Computing kpt #: 58 total cpu time spent up to now is 31.6 secs Computing kpt #: 59 total cpu time spent up to now is 32.1 secs Computing kpt #: 60 total cpu time spent up to now is 32.6 secs Computing kpt #: 61 total cpu time spent up to now is 33.1 secs Computing kpt #: 62 total cpu time spent up to now is 33.6 secs Computing kpt #: 63 total cpu time spent up to now is 34.1 secs Computing kpt #: 64 total cpu time spent up to now is 34.6 secs Computing kpt #: 65 total cpu time spent up to now is 35.1 secs Computing kpt #: 66 total cpu time spent up to now is 35.7 secs Computing kpt #: 67 total cpu time spent up to now is 36.1 secs Computing kpt #: 68 total cpu time spent up to now is 36.6 secs Computing kpt #: 69 total cpu time spent up to now is 37.1 secs Computing kpt #: 70 total cpu time spent up to now is 37.5 secs Computing kpt #: 71 total cpu time spent up to now is 38.1 secs Computing kpt #: 72 total cpu time spent up to now is 38.5 secs Computing kpt #: 73 total cpu time spent up to now is 38.9 secs Computing kpt #: 74 total cpu time spent up to now is 39.4 secs Computing kpt #: 75 total cpu time spent up to now is 39.9 secs Computing kpt #: 76 total cpu time spent up to now is 40.3 secs Computing kpt #: 77 total cpu time spent up to now is 40.7 secs Computing kpt #: 78 total cpu time spent up to now is 41.2 secs Computing kpt #: 79 total cpu time spent up to now is 41.6 secs Computing kpt #: 80 total cpu time spent up to now is 42.0 secs Computing kpt #: 81 total cpu time spent up to now is 42.5 secs Computing kpt #: 82 total cpu time spent up to now is 42.9 secs Computing kpt #: 83 total cpu time spent up to now is 43.3 secs Computing kpt #: 84 total cpu time spent up to now is 43.8 secs Computing kpt #: 85 total cpu time spent up to now is 44.2 secs Computing kpt #: 86 total cpu time spent up to now is 44.7 secs Computing kpt #: 87 total cpu time spent up to now is 45.1 secs Computing kpt #: 88 total cpu time spent up to now is 45.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.0 secs Computing kpt #: 90 total cpu time spent up to now is 46.5 secs Computing kpt #: 91 total cpu time spent up to now is 47.0 secs Computing kpt #: 92 total cpu time spent up to now is 47.4 secs Computing kpt #: 93 total cpu time spent up to now is 47.9 secs Computing kpt #: 94 total cpu time spent up to now is 48.3 secs Computing kpt #: 95 total cpu time spent up to now is 48.8 secs Computing kpt #: 96 total cpu time spent up to now is 49.2 secs Computing kpt #: 97 total cpu time spent up to now is 49.8 secs Computing kpt #: 98 total cpu time spent up to now is 50.5 secs Computing kpt #: 99 total cpu time spent up to now is 51.3 secs Computing kpt #: 100 total cpu time spent up to now is 52.1 secs Computing kpt #: 101 total cpu time spent up to now is 52.8 secs Computing kpt #: 102 total cpu time spent up to now is 53.4 secs Computing kpt #: 103 total cpu time spent up to now is 54.2 secs Computing kpt #: 104 total cpu time spent up to now is 54.8 secs Computing kpt #: 105 total cpu time spent up to now is 55.5 secs Computing kpt #: 106 total cpu time spent up to now is 56.2 secs Computing kpt #: 107 total cpu time spent up to now is 57.0 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.1 secs Computing kpt #: 109 total cpu time spent up to now is 58.6 secs Computing kpt #: 110 total cpu time spent up to now is 59.0 secs Computing kpt #: 111 total cpu time spent up to now is 59.4 secs Computing kpt #: 112 total cpu time spent up to now is 59.9 secs Computing kpt #: 113 total cpu time spent up to now is 60.3 secs Computing kpt #: 114 total cpu time spent up to now is 60.8 secs Computing kpt #: 115 total cpu time spent up to now is 61.2 secs Computing kpt #: 116 total cpu time spent up to now is 61.6 secs Computing kpt #: 117 total cpu time spent up to now is 62.1 secs Computing kpt #: 118 total cpu time spent up to now is 62.6 secs Computing kpt #: 119 total cpu time spent up to now is 63.4 secs Computing kpt #: 120 total cpu time spent up to now is 64.0 secs Computing kpt #: 121 total cpu time spent up to now is 64.4 secs Computing kpt #: 122 total cpu time spent up to now is 64.9 secs Computing kpt #: 123 total cpu time spent up to now is 65.4 secs Computing kpt #: 124 total cpu time spent up to now is 66.1 secs Computing kpt #: 125 total cpu time spent up to now is 66.6 secs Computing kpt #: 126 total cpu time spent up to now is 67.0 secs Computing kpt #: 127 total cpu time spent up to now is 67.4 secs Computing kpt #: 128 total cpu time spent up to now is 67.8 secs Computing kpt #: 129 total cpu time spent up to now is 68.3 secs Computing kpt #: 130 total cpu time spent up to now is 68.7 secs Computing kpt #: 131 total cpu time spent up to now is 69.1 secs Computing kpt #: 132 total cpu time spent up to now is 69.5 secs Computing kpt #: 133 total cpu time spent up to now is 69.9 secs Computing kpt #: 134 total cpu time spent up to now is 70.3 secs Computing kpt #: 135 total cpu time spent up to now is 70.7 secs Computing kpt #: 136 total cpu time spent up to now is 71.1 secs Computing kpt #: 137 total cpu time spent up to now is 71.6 secs Computing kpt #: 138 total cpu time spent up to now is 72.0 secs Computing kpt #: 139 total cpu time spent up to now is 72.4 secs Computing kpt #: 140 total cpu time spent up to now is 72.9 secs Computing kpt #: 141 total cpu time spent up to now is 73.3 secs Computing kpt #: 142 total cpu time spent up to now is 73.7 secs Computing kpt #: 143 total cpu time spent up to now is 74.1 secs Computing kpt #: 144 total cpu time spent up to now is 74.5 secs Computing kpt #: 145 total cpu time spent up to now is 75.0 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 75.8 secs Computing kpt #: 148 total cpu time spent up to now is 76.2 secs Computing kpt #: 149 total cpu time spent up to now is 76.7 secs Computing kpt #: 150 total cpu time spent up to now is 77.1 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 78.0 secs Computing kpt #: 153 total cpu time spent up to now is 78.4 secs Computing kpt #: 154 total cpu time spent up to now is 78.8 secs Computing kpt #: 155 total cpu time spent up to now is 79.1 secs Computing kpt #: 156 total cpu time spent up to now is 79.5 secs Computing kpt #: 157 total cpu time spent up to now is 79.9 secs Computing kpt #: 158 total cpu time spent up to now is 80.3 secs Computing kpt #: 159 total cpu time spent up to now is 80.7 secs Computing kpt #: 160 total cpu time spent up to now is 81.1 secs Computing kpt #: 161 total cpu time spent up to now is 81.5 secs Computing kpt #: 162 total cpu time spent up to now is 81.8 secs Computing kpt #: 163 total cpu time spent up to now is 82.2 secs Computing kpt #: 164 total cpu time spent up to now is 82.6 secs Computing kpt #: 165 total cpu time spent up to now is 83.0 secs Computing kpt #: 166 total cpu time spent up to now is 83.4 secs Computing kpt #: 167 total cpu time spent up to now is 83.7 secs Computing kpt #: 168 total cpu time spent up to now is 84.1 secs Computing kpt #: 169 total cpu time spent up to now is 84.5 secs Computing kpt #: 170 total cpu time spent up to now is 84.9 secs Computing kpt #: 171 total cpu time spent up to now is 85.3 secs Computing kpt #: 172 total cpu time spent up to now is 85.7 secs Computing kpt #: 173 total cpu time spent up to now is 86.2 secs Computing kpt #: 174 total cpu time spent up to now is 86.8 secs Computing kpt #: 175 total cpu time spent up to now is 87.3 secs Computing kpt #: 176 total cpu time spent up to now is 87.9 secs Computing kpt #: 177 total cpu time spent up to now is 88.4 secs Computing kpt #: 178 total cpu time spent up to now is 88.8 secs Computing kpt #: 179 total cpu time spent up to now is 89.3 secs Computing kpt #: 180 total cpu time spent up to now is 89.7 secs Computing kpt #: 181 total cpu time spent up to now is 90.1 secs Computing kpt #: 182 total cpu time spent up to now is 90.6 secs Computing kpt #: 183 total cpu time spent up to now is 91.0 secs Computing kpt #: 184 total cpu time spent up to now is 91.4 secs Computing kpt #: 185 total cpu time spent up to now is 91.9 secs Computing kpt #: 186 total cpu time spent up to now is 92.3 secs Computing kpt #: 187 total cpu time spent up to now is 92.8 secs Computing kpt #: 188 total cpu time spent up to now is 93.2 secs Computing kpt #: 189 total cpu time spent up to now is 94.0 secs Computing kpt #: 190 total cpu time spent up to now is 94.8 secs Computing kpt #: 191 total cpu time spent up to now is 95.2 secs Computing kpt #: 192 total cpu time spent up to now is 95.6 secs Computing kpt #: 193 total cpu time spent up to now is 96.1 secs Computing kpt #: 194 total cpu time spent up to now is 96.5 secs Computing kpt #: 195 total cpu time spent up to now is 96.9 secs Computing kpt #: 196 total cpu time spent up to now is 97.3 secs Computing kpt #: 197 total cpu time spent up to now is 97.7 secs Computing kpt #: 198 total cpu time spent up to now is 98.2 secs Computing kpt #: 199 total cpu time spent up to now is 98.7 secs Computing kpt #: 200 total cpu time spent up to now is 99.2 secs Computing kpt #: 201 total cpu time spent up to now is 99.7 secs Computing kpt #: 202 total cpu time spent up to now is 100.2 secs Computing kpt #: 203 total cpu time spent up to now is 100.7 secs Computing kpt #: 204 total cpu time spent up to now is 101.2 secs Computing kpt #: 205 total cpu time spent up to now is 101.6 secs Computing kpt #: 206 total cpu time spent up to now is 102.1 secs Computing kpt #: 207 total cpu time spent up to now is 102.6 secs Computing kpt #: 208 total cpu time spent up to now is 103.0 secs Computing kpt #: 209 total cpu time spent up to now is 103.5 secs Computing kpt #: 210 total cpu time spent up to now is 103.9 secs Computing kpt #: 211 total cpu time spent up to now is 104.4 secs Computing kpt #: 212 total cpu time spent up to now is 104.8 secs Computing kpt #: 213 total cpu time spent up to now is 105.2 secs Computing kpt #: 214 total cpu time spent up to now is 105.7 secs Computing kpt #: 215 total cpu time spent up to now is 106.1 secs Computing kpt #: 216 total cpu time spent up to now is 106.6 secs Computing kpt #: 217 total cpu time spent up to now is 107.0 secs Computing kpt #: 218 total cpu time spent up to now is 107.5 secs Computing kpt #: 219 total cpu time spent up to now is 107.9 secs Computing kpt #: 220 total cpu time spent up to now is 108.4 secs Computing kpt #: 221 total cpu time spent up to now is 108.8 secs Computing kpt #: 222 total cpu time spent up to now is 109.3 secs Computing kpt #: 223 total cpu time spent up to now is 109.7 secs Computing kpt #: 224 total cpu time spent up to now is 110.2 secs Computing kpt #: 225 total cpu time spent up to now is 110.6 secs Computing kpt #: 226 total cpu time spent up to now is 111.1 secs Computing kpt #: 227 total cpu time spent up to now is 111.5 secs Computing kpt #: 228 total cpu time spent up to now is 112.0 secs Computing kpt #: 229 total cpu time spent up to now is 112.4 secs Computing kpt #: 230 total cpu time spent up to now is 112.9 secs Computing kpt #: 231 total cpu time spent up to now is 113.4 secs Computing kpt #: 232 total cpu time spent up to now is 113.8 secs Computing kpt #: 233 total cpu time spent up to now is 114.3 secs Computing kpt #: 234 total cpu time spent up to now is 114.8 secs Computing kpt #: 235 total cpu time spent up to now is 115.3 secs Computing kpt #: 236 total cpu time spent up to now is 115.7 secs Computing kpt #: 237 total cpu time spent up to now is 116.1 secs Computing kpt #: 238 total cpu time spent up to now is 116.6 secs Computing kpt #: 239 total cpu time spent up to now is 117.0 secs Computing kpt #: 240 total cpu time spent up to now is 117.5 secs Computing kpt #: 241 total cpu time spent up to now is 117.9 secs Computing kpt #: 242 total cpu time spent up to now is 118.3 secs Computing kpt #: 243 total cpu time spent up to now is 118.8 secs Computing kpt #: 244 total cpu time spent up to now is 119.2 secs Computing kpt #: 245 total cpu time spent up to now is 119.6 secs Computing kpt #: 246 total cpu time spent up to now is 120.1 secs Computing kpt #: 247 total cpu time spent up to now is 120.5 secs Computing kpt #: 248 total cpu time spent up to now is 120.9 secs Computing kpt #: 249 total cpu time spent up to now is 121.3 secs Computing kpt #: 250 total cpu time spent up to now is 121.8 secs Computing kpt #: 251 total cpu time spent up to now is 122.2 secs Computing kpt #: 252 total cpu time spent up to now is 122.6 secs Computing kpt #: 253 total cpu time spent up to now is 123.1 secs Computing kpt #: 254 total cpu time spent up to now is 123.5 secs Computing kpt #: 255 total cpu time spent up to now is 124.0 secs Computing kpt #: 256 total cpu time spent up to now is 124.4 secs Computing kpt #: 257 total cpu time spent up to now is 124.9 secs Computing kpt #: 258 total cpu time spent up to now is 125.3 secs Computing kpt #: 259 total cpu time spent up to now is 125.8 secs Computing kpt #: 260 total cpu time spent up to now is 126.2 secs Computing kpt #: 261 total cpu time spent up to now is 126.7 secs Computing kpt #: 262 total cpu time spent up to now is 127.1 secs Computing kpt #: 263 total cpu time spent up to now is 127.5 secs Computing kpt #: 264 total cpu time spent up to now is 128.0 secs Computing kpt #: 265 total cpu time spent up to now is 128.4 secs Computing kpt #: 266 total cpu time spent up to now is 128.8 secs Computing kpt #: 267 total cpu time spent up to now is 129.2 secs Computing kpt #: 268 total cpu time spent up to now is 129.6 secs Computing kpt #: 269 total cpu time spent up to now is 130.1 secs Computing kpt #: 270 total cpu time spent up to now is 130.5 secs Computing kpt #: 271 total cpu time spent up to now is 130.9 secs Computing kpt #: 272 total cpu time spent up to now is 131.3 secs Computing kpt #: 273 total cpu time spent up to now is 131.8 secs Computing kpt #: 274 total cpu time spent up to now is 132.2 secs Computing kpt #: 275 total cpu time spent up to now is 132.6 secs Computing kpt #: 276 total cpu time spent up to now is 133.1 secs Computing kpt #: 277 total cpu time spent up to now is 133.5 secs Computing kpt #: 278 total cpu time spent up to now is 134.0 secs Computing kpt #: 279 total cpu time spent up to now is 134.5 secs Computing kpt #: 280 total cpu time spent up to now is 135.0 secs Computing kpt #: 281 total cpu time spent up to now is 135.6 secs Computing kpt #: 282 total cpu time spent up to now is 136.0 secs Computing kpt #: 283 total cpu time spent up to now is 136.5 secs Computing kpt #: 284 total cpu time spent up to now is 136.9 secs Computing kpt #: 285 total cpu time spent up to now is 137.3 secs Computing kpt #: 286 total cpu time spent up to now is 137.7 secs Computing kpt #: 287 total cpu time spent up to now is 138.1 secs Computing kpt #: 288 total cpu time spent up to now is 138.5 secs Computing kpt #: 289 total cpu time spent up to now is 138.9 secs Computing kpt #: 290 total cpu time spent up to now is 139.3 secs Computing kpt #: 291 total cpu time spent up to now is 139.8 secs Computing kpt #: 292 total cpu time spent up to now is 140.4 secs Computing kpt #: 293 total cpu time spent up to now is 141.0 secs Computing kpt #: 294 total cpu time spent up to now is 141.6 secs Computing kpt #: 295 total cpu time spent up to now is 142.1 secs Computing kpt #: 296 total cpu time spent up to now is 142.5 secs Computing kpt #: 297 total cpu time spent up to now is 142.9 secs Computing kpt #: 298 total cpu time spent up to now is 143.3 secs Computing kpt #: 299 total cpu time spent up to now is 143.7 secs Computing kpt #: 300 total cpu time spent up to now is 144.1 secs Computing kpt #: 301 total cpu time spent up to now is 144.5 secs Computing kpt #: 302 total cpu time spent up to now is 144.9 secs Computing kpt #: 303 total cpu time spent up to now is 145.3 secs Computing kpt #: 304 total cpu time spent up to now is 145.7 secs Computing kpt #: 305 total cpu time spent up to now is 146.1 secs Computing kpt #: 306 total cpu time spent up to now is 146.5 secs Computing kpt #: 307 total cpu time spent up to now is 147.0 secs Computing kpt #: 308 total cpu time spent up to now is 147.5 secs Computing kpt #: 309 total cpu time spent up to now is 148.0 secs Computing kpt #: 310 total cpu time spent up to now is 148.5 secs Computing kpt #: 311 total cpu time spent up to now is 149.0 secs Computing kpt #: 312 total cpu time spent up to now is 149.6 secs Computing kpt #: 313 total cpu time spent up to now is 150.1 secs Computing kpt #: 314 total cpu time spent up to now is 150.6 secs Computing kpt #: 315 total cpu time spent up to now is 151.1 secs Computing kpt #: 316 total cpu time spent up to now is 151.8 secs Computing kpt #: 317 total cpu time spent up to now is 152.4 secs Computing kpt #: 318 total cpu time spent up to now is 153.0 secs Computing kpt #: 319 total cpu time spent up to now is 153.5 secs Computing kpt #: 320 total cpu time spent up to now is 154.1 secs Computing kpt #: 321 total cpu time spent up to now is 154.6 secs Computing kpt #: 322 total cpu time spent up to now is 155.1 secs Computing kpt #: 323 total cpu time spent up to now is 155.6 secs Computing kpt #: 324 total cpu time spent up to now is 156.0 secs Computing kpt #: 325 total cpu time spent up to now is 156.5 secs Computing kpt #: 326 total cpu time spent up to now is 157.0 secs Computing kpt #: 327 total cpu time spent up to now is 157.4 secs Computing kpt #: 328 total cpu time spent up to now is 157.9 secs Computing kpt #: 329 total cpu time spent up to now is 158.3 secs Computing kpt #: 330 total cpu time spent up to now is 158.8 secs Computing kpt #: 331 total cpu time spent up to now is 159.3 secs Computing kpt #: 332 total cpu time spent up to now is 159.8 secs Computing kpt #: 333 total cpu time spent up to now is 160.2 secs Computing kpt #: 334 total cpu time spent up to now is 160.7 secs Computing kpt #: 335 total cpu time spent up to now is 161.1 secs Computing kpt #: 336 total cpu time spent up to now is 161.6 secs Computing kpt #: 337 total cpu time spent up to now is 162.0 secs Computing kpt #: 338 total cpu time spent up to now is 162.5 secs Computing kpt #: 339 total cpu time spent up to now is 162.9 secs Computing kpt #: 340 total cpu time spent up to now is 163.3 secs Computing kpt #: 341 total cpu time spent up to now is 163.8 secs Computing kpt #: 342 total cpu time spent up to now is 164.2 secs Computing kpt #: 343 total cpu time spent up to now is 164.6 secs Computing kpt #: 344 total cpu time spent up to now is 165.0 secs Computing kpt #: 345 total cpu time spent up to now is 165.5 secs Computing kpt #: 346 total cpu time spent up to now is 165.9 secs ethr = 3.57E-08, avg # of iterations = 28.1 total cpu time spent up to now is 165.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5161 PWs) bands (ev): -4.0884 -4.0884 -2.3290 -2.3290 -1.9378 -1.9378 4.3689 4.3689 5.0337 5.0337 5.1695 5.1695 6.1339 6.1339 6.4647 6.4647 7.0353 7.0353 7.0841 7.0841 7.3071 7.3071 7.9082 7.9082 8.5117 8.5117 9.1661 9.1661 9.3466 9.3466 9.5664 9.5664 10.3746 10.3746 10.4849 10.4849 k = 0.0000 0.0122-0.0000 ( 5161 PWs) bands (ev): -4.0871 -4.0871 -2.3283 -2.3283 -1.9366 -1.9366 4.3700 4.3700 5.0236 5.0236 5.1637 5.1637 6.1353 6.1353 6.4654 6.4654 7.0378 7.0378 7.0861 7.0861 7.3027 7.3027 7.9077 7.9077 8.5088 8.5088 9.1729 9.1729 9.3496 9.3496 9.5669 9.5669 10.3671 10.3671 10.4862 10.4862 k = 0.0000 0.0244-0.0000 ( 5165 PWs) bands (ev): -4.0833 -4.0833 -2.3262 -2.3262 -1.9328 -1.9328 4.3734 4.3734 4.9940 4.9940 5.1463 5.1463 6.1394 6.1394 6.4677 6.4677 7.0438 7.0438 7.0932 7.0932 7.2898 7.2898 7.9061 7.9061 8.5000 8.5000 9.1928 9.1928 9.3585 9.3585 9.5686 9.5686 10.3467 10.3467 10.4900 10.4900 k = 0.0000 0.0366-0.0000 ( 5165 PWs) bands (ev): -4.0769 -4.0769 -2.3227 -2.3227 -1.9266 -1.9266 4.3789 4.3789 4.9458 4.9458 5.1181 5.1181 6.1460 6.1460 6.4714 6.4714 7.0499 7.0499 7.1081 7.1081 7.2682 7.2682 7.9034 7.9034 8.4859 8.4859 9.2244 9.2244 9.3738 9.3738 9.5720 9.5720 10.3179 10.3179 10.4962 10.4962 k = 0.0000 0.0488-0.0000 ( 5173 PWs) bands (ev): -4.0680 -4.0680 -2.3179 -2.3179 -1.9178 -1.9178 4.3865 4.3865 4.8809 4.8809 5.0796 5.0796 6.1550 6.1550 6.4766 6.4766 7.0540 7.0540 7.1311 7.1311 7.2388 7.2388 7.8997 7.8997 8.4670 8.4670 9.2642 9.2642 9.3964 9.3964 9.5780 9.5780 10.2848 10.2848 10.5046 10.5046 k = 0.0000 0.0610-0.0000 ( 5177 PWs) bands (ev): -4.0566 -4.0566 -2.3118 -2.3118 -1.9066 -1.9066 4.3959 4.3959 4.8012 4.8012 5.0320 5.0320 6.1659 6.1659 6.4832 6.4832 7.0564 7.0564 7.1559 7.1559 7.2065 7.2065 7.8948 7.8948 8.4443 8.4443 9.3057 9.3057 9.4299 9.4299 9.5881 9.5881 10.2506 10.2506 10.5152 10.5152 k = 0.0000 0.0732-0.0000 ( 5185 PWs) bands (ev): -4.0426 -4.0426 -2.3044 -2.3044 -1.8928 -1.8928 4.4067 4.4067 4.7090 4.7090 4.9764 4.9764 6.1786 6.1786 6.4912 6.4912 7.0575 7.0575 7.1392 7.1392 7.2132 7.2132 7.8884 7.8884 8.4189 8.4189 9.3399 9.3399 9.4794 9.4794 9.6044 9.6044 10.2173 10.2173 10.5281 10.5281 k = 0.0000 0.0854-0.0000 ( 5193 PWs) bands (ev): -4.0262 -4.0262 -2.2959 -2.2959 -1.8765 -1.8765 4.4177 4.4177 4.6070 4.6070 4.9144 4.9144 6.1926 6.1926 6.5006 6.5006 7.0541 7.0541 7.0913 7.0913 7.2513 7.2513 7.8798 7.8798 8.3923 8.3923 9.3620 9.3620 9.5443 9.5443 9.6304 9.6304 10.1860 10.1860 10.5431 10.5431 k = 0.0000 0.0976-0.0000 ( 5191 PWs) bands (ev): -4.0073 -4.0073 -2.2863 -2.2863 -1.8578 -1.8578 4.4230 4.4230 4.5017 4.5017 4.8477 4.8477 6.2078 6.2078 6.5115 6.5115 7.0124 7.0124 7.0717 7.0717 7.2953 7.2953 7.8681 7.8681 8.3659 8.3659 9.3733 9.3733 9.6119 9.6119 9.6753 9.6753 10.1575 10.1575 10.5596 10.5596 k = 0.0000 0.1098-0.0000 ( 5201 PWs) bands (ev): -3.9859 -3.9859 -2.2756 -2.2756 -1.8365 -1.8365 4.3604 4.3604 4.4554 4.4554 4.7792 4.7792 6.2239 6.2239 6.5237 6.5237 6.9420 6.9420 7.0738 7.0738 7.3421 7.3421 7.8521 7.8521 8.3416 8.3416 9.3764 9.3764 9.6649 9.6649 9.7514 9.7514 10.1321 10.1321 10.5729 10.5729 k = 0.0000 0.1220-0.0000 ( 5189 PWs) bands (ev): -3.9621 -3.9621 -2.2640 -2.2640 -1.8128 -1.8128 4.2394 4.2394 4.4556 4.4556 4.7138 4.7138 6.2404 6.2404 6.5371 6.5371 6.8630 6.8630 7.0797 7.0797 7.3905 7.3905 7.8308 7.8308 8.3208 8.3208 9.3734 9.3734 9.7108 9.7108 9.8469 9.8469 10.1103 10.1103 10.5520 10.5520 k = 0.0000 0.1341-0.0000 ( 5185 PWs) bands (ev): -3.9360 -3.9360 -2.2517 -2.2517 -1.7865 -1.7865 4.1094 4.1094 4.4453 4.4453 4.6613 4.6613 6.2572 6.2572 6.5514 6.5514 6.7782 6.7782 7.0883 7.0883 7.4402 7.4402 7.8033 7.8033 8.3045 8.3045 9.3655 9.3655 9.7577 9.7577 9.9489 9.9489 10.0935 10.0935 10.5084 10.5084 k = 0.0000 0.1463-0.0000 ( 5197 PWs) bands (ev): -3.9075 -3.9075 -2.2387 -2.2387 -1.7577 -1.7577 3.9745 3.9745 4.4092 4.4092 4.6340 4.6340 6.2738 6.2738 6.5648 6.5648 6.6906 6.6906 7.0995 7.0995 7.4907 7.4907 7.7696 7.7696 8.2932 8.2932 9.3539 9.3539 9.8066 9.8066 10.0352 10.0352 10.0996 10.0996 10.4640 10.4640 k = 0.0000 0.1585-0.0000 ( 5199 PWs) bands (ev): -3.8767 -3.8767 -2.2251 -2.2251 -1.7265 -1.7265 3.8362 3.8362 4.3475 4.3475 4.6321 4.6321 6.2899 6.2899 6.5595 6.5595 6.6193 6.6193 7.1138 7.1138 7.5416 7.5416 7.7299 7.7299 8.2866 8.2866 9.3390 9.3390 9.8572 9.8572 10.0450 10.0450 10.1867 10.1867 10.4225 10.4225 k = 0.0000 0.1707-0.0000 ( 5189 PWs) bands (ev): -3.8437 -3.8437 -2.2113 -2.2113 -1.6927 -1.6927 3.6954 3.6954 4.2712 4.2712 4.6445 4.6445 6.3051 6.3051 6.4833 6.4833 6.6177 6.6177 7.1315 7.1315 7.5927 7.5927 7.6853 7.6853 8.2838 8.2838 9.3215 9.3215 9.9088 9.9088 10.0355 10.0355 10.2933 10.2933 10.3875 10.3875 k = 0.0000 0.1829-0.0000 ( 5187 PWs) bands (ev): -3.8085 -3.8085 -2.1972 -2.1972 -1.6565 -1.6565 3.5528 3.5528 4.1885 4.1885 4.6633 4.6633 6.3187 6.3187 6.3882 6.3882 6.6359 6.6359 7.1526 7.1526 7.6311 7.6311 7.6493 7.6493 8.2837 8.2837 9.3018 9.3018 9.9590 9.9590 10.0273 10.0273 10.3385 10.3385 10.4203 10.4203 k = 0.0000 0.1951-0.0000 ( 5185 PWs) bands (ev): -3.7712 -3.7712 -2.1832 -2.1832 -1.6177 -1.6177 3.4088 3.4088 4.1031 4.1031 4.6844 4.6844 6.2879 6.2879 6.3339 6.3339 6.6577 6.6577 7.1776 7.1776 7.5828 7.5828 7.6967 7.6967 8.2852 8.2852 9.2801 9.2801 9.9927 9.9927 10.0364 10.0364 10.3139 10.3139 10.5268 10.5268 k = 0.0000 0.2073-0.0000 ( 5179 PWs) bands (ev): -3.7317 -3.7317 -2.1694 -2.1694 -1.5765 -1.5765 3.2641 3.2641 4.0173 4.0173 4.7054 4.7054 6.1923 6.1923 6.3441 6.3441 6.6817 6.6817 7.2064 7.2064 7.5287 7.5287 7.7472 7.7472 8.2871 8.2871 9.2569 9.2569 9.9913 9.9913 10.0808 10.0808 10.2912 10.2912 10.6340 10.6340 k = 0.0000 0.2195-0.0000 ( 5167 PWs) bands (ev): -3.6903 -3.6903 -2.1560 -2.1560 -1.5327 -1.5327 3.1190 3.1190 3.9322 3.9322 4.7241 4.7241 6.0994 6.0994 6.3535 6.3535 6.7075 6.7075 7.2391 7.2391 7.4731 7.4731 7.7970 7.7970 8.2884 8.2884 9.2325 9.2325 9.9813 9.9813 10.1330 10.1330 10.2748 10.2748 10.7368 10.7368 k = 0.0000 0.2317-0.0000 ( 5170 PWs) bands (ev): -3.6470 -3.6470 -2.1434 -2.1434 -1.4864 -1.4864 2.9739 2.9739 3.8488 3.8488 4.7384 4.7384 6.0124 6.0124 6.3614 6.3614 6.7347 6.7347 7.2757 7.2757 7.4167 7.4167 7.8454 7.8454 8.2883 8.2883 9.2077 9.2077 9.9691 9.9691 10.1843 10.1843 10.2671 10.2671 10.8329 10.8329 k = 0.0000 0.2439-0.0000 ( 5176 PWs) bands (ev): -3.6018 -3.6018 -2.1316 -2.1316 -1.4377 -1.4377 2.8291 2.8291 3.7679 3.7679 4.7459 4.7459 5.9340 5.9340 6.3679 6.3679 6.7631 6.7631 7.3162 7.3162 7.3604 7.3604 7.8915 7.8915 8.2861 8.2861 9.1831 9.1831 9.9550 9.9550 10.2252 10.2252 10.2770 10.2770 10.9203 10.9203 k = 0.0000 0.2561-0.0000 ( 5176 PWs) bands (ev): -3.5548 -3.5548 -2.1210 -2.1210 -1.3864 -1.3864 2.6849 2.6849 3.6901 3.6901 4.7438 4.7438 5.8673 5.8673 6.3731 6.3731 6.7924 6.7924 7.3044 7.3044 7.3605 7.3605 7.9344 7.9344 8.2812 8.2812 9.1596 9.1596 9.9388 9.9388 10.2435 10.2435 10.3165 10.3165 10.9969 10.9969 k = 0.0000 0.2683-0.0000 ( 5168 PWs) bands (ev): -3.5062 -3.5062 -2.1118 -2.1118 -1.3327 -1.3327 2.5415 2.5415 3.6160 3.6160 4.7296 4.7296 5.8153 5.8153 6.3774 6.3774 6.8220 6.8220 7.2498 7.2498 7.4084 7.4084 7.9729 7.9729 8.2734 8.2734 9.1386 9.1386 9.9199 9.9199 10.2558 10.2558 10.3688 10.3688 11.0614 11.0614 k = 0.0000 0.2805-0.0000 ( 5168 PWs) bands (ev): -3.4560 -3.4560 -2.1043 -2.1043 -1.2764 -1.2764 2.3993 2.3993 3.5461 3.5461 4.7014 4.7014 5.7801 5.7801 6.3810 6.3810 6.8513 6.8513 7.1970 7.1970 7.4597 7.4597 8.0054 8.0054 8.2625 8.2625 9.1214 9.1214 9.8980 9.8980 10.2717 10.2717 10.4239 10.4239 11.1138 11.1138 k = 0.0000 0.2927-0.0000 ( 5166 PWs) bands (ev): -3.4044 -3.4044 -2.0987 -2.0987 -1.2176 -1.2176 2.2583 2.2583 3.4809 3.4809 4.6586 4.6586 5.7625 5.7625 6.3842 6.3842 6.8789 6.8789 7.1474 7.1474 7.5143 7.5143 8.0304 8.0304 8.2487 8.2487 9.1098 9.1098 9.8724 9.8724 10.2924 10.2924 10.4802 10.4802 11.1546 11.1546 k = 0.0000 0.3049-0.0000 ( 5176 PWs) bands (ev): -3.3515 -3.3515 -2.0954 -2.0954 -1.1564 -1.1564 2.1187 2.1187 3.4208 3.4208 4.6022 4.6022 5.7617 5.7617 6.3875 6.3875 6.9023 6.9023 7.1035 7.1035 7.5719 7.5719 8.0463 8.0463 8.2321 8.2321 9.1055 9.1055 9.8429 9.8429 10.3176 10.3176 10.5371 10.5371 11.1853 11.1853 k = 0.0000 0.3171-0.0000 ( 5174 PWs) bands (ev): -3.2974 -3.2974 -2.0945 -2.0945 -1.0926 -1.0926 1.9808 1.9808 3.3662 3.3662 4.5344 4.5344 5.7758 5.7758 6.3911 6.3911 6.9154 6.9154 7.0710 7.0710 7.6325 7.6325 8.0515 8.0515 8.2130 8.2130 9.1101 9.1101 9.8090 9.8090 10.3463 10.3463 10.5947 10.5947 11.2083 11.2083 k = 0.0000 0.3293-0.0000 ( 5166 PWs) bands (ev): -3.2422 -3.2422 -2.0963 -2.0963 -1.0263 -1.0263 1.8446 1.8446 3.3176 3.3176 4.4577 4.4577 5.8023 5.8023 6.3953 6.3953 6.9092 6.9092 7.0587 7.0587 7.6958 7.6958 8.0456 8.0456 8.1919 8.1919 9.1245 9.1245 9.7704 9.7704 10.3774 10.3774 10.6529 10.6529 11.2262 11.2262 k = 0.0000 0.3415-0.0000 ( 5166 PWs) bands (ev): -3.1862 -3.1862 -2.1010 -2.1010 -0.9575 -0.9575 1.7102 1.7102 3.2752 3.2752 4.3748 4.3748 5.8386 5.8386 6.4007 6.4007 6.8833 6.8833 7.0666 7.0666 7.7614 7.7614 8.0288 8.0288 8.1690 8.1690 9.1491 9.1491 9.7272 9.7272 10.4090 10.4090 10.7119 10.7119 11.2412 11.2412 k = 0.0000 0.3537-0.0000 ( 5180 PWs) bands (ev): -3.1294 -3.1294 -2.1089 -2.1089 -0.8862 -0.8862 1.5778 1.5778 3.2393 3.2393 4.2878 4.2878 5.8825 5.8825 6.4076 6.4076 6.8474 6.8474 7.0847 7.0847 7.8290 7.8290 8.0025 8.0025 8.1447 8.1447 9.1835 9.1835 9.6792 9.6792 10.4392 10.4392 10.7718 10.7718 11.2548 11.2548 k = 0.0000 0.3659-0.0000 ( 5176 PWs) bands (ev): -3.0720 -3.0720 -2.1200 -2.1200 -0.8123 -0.8123 1.4475 1.4475 3.2102 3.2102 4.1988 4.1988 5.9318 5.9318 6.4164 6.4164 6.8083 6.8083 7.1055 7.1055 7.8972 7.8972 7.9688 7.9688 8.1200 8.1200 9.2266 9.2266 9.6267 9.6267 10.4653 10.4653 10.8328 10.8328 11.2678 11.2678 k = 0.0000 0.3780-0.0000 ( 5176 PWs) bands (ev): -3.0143 -3.0143 -2.1344 -2.1344 -0.7360 -0.7360 1.3193 1.3193 3.1881 3.1881 4.1091 4.1091 5.9848 5.9848 6.4277 6.4277 6.7689 6.7689 7.1252 7.1252 7.9278 7.9278 7.9650 7.9650 8.0984 8.0984 9.2767 9.2767 9.5704 9.5704 10.4844 10.4844 10.8948 10.8948 11.2804 11.2804 k = 0.0000 0.3902-0.0000 ( 5174 PWs) bands (ev): -2.9564 -2.9564 -2.1524 -2.1524 -0.6571 -0.6571 1.1933 1.1933 3.1732 3.1732 4.0199 4.0199 6.0398 6.0398 6.4421 6.4421 6.7307 6.7307 7.1413 7.1413 7.8869 7.8869 8.0092 8.0092 8.0988 8.0988 9.3307 9.3307 9.5124 9.5124 10.4930 10.4930 10.9577 10.9577 11.2910 11.2910 k = 0.0000 0.4024-0.0000 ( 5188 PWs) bands (ev): -2.8986 -2.8986 -2.1739 -2.1739 -0.5757 -0.5757 1.0696 1.0696 3.1656 3.1656 3.9322 3.9322 6.0950 6.0950 6.4602 6.4602 6.6946 6.6946 7.1516 7.1516 7.8457 7.8457 8.0044 8.0044 8.1499 8.1499 9.3740 9.3740 9.4666 9.4666 10.4882 10.4882 11.0210 11.0210 11.2943 11.2943 k = 0.0000 0.4146-0.0000 ( 5198 PWs) bands (ev): -2.8409 -2.8409 -2.1989 -2.1989 -0.4918 -0.4918 0.9482 0.9482 3.1652 3.1652 3.8469 3.8469 6.1485 6.1485 6.4818 6.4818 6.6623 6.6623 7.1538 7.1538 7.8080 7.8080 7.9796 7.9796 8.2224 8.2224 9.3482 9.3482 9.4906 9.4906 10.4679 10.4679 11.0833 11.0833 11.2888 11.2888 k = 0.0000 0.4268-0.0000 ( 5198 PWs) bands (ev): -2.7838 -2.7838 -2.2275 -2.2275 -0.4053 -0.4053 0.8292 0.8292 3.1722 3.1722 3.7645 3.7645 6.1987 6.1987 6.5045 6.5045 6.6374 6.6374 7.1458 7.1458 7.7771 7.7771 7.9505 7.9505 8.3005 8.3005 9.2823 9.2823 9.5551 9.5551 10.4323 10.4323 11.1419 11.1419 11.2866 11.2866 k = 0.0000 0.4390-0.0000 ( 5192 PWs) bands (ev): -2.7274 -2.7274 -2.2594 -2.2594 -0.3163 -0.3163 0.7126 0.7126 3.1864 3.1864 3.6856 3.6856 6.2443 6.2443 6.5186 6.5186 6.6305 6.6305 7.1259 7.1259 7.7554 7.7554 7.9205 7.9205 8.3812 8.3812 9.2082 9.2082 9.6279 9.6279 10.3831 10.3831 11.1924 11.1924 11.2924 11.2924 k = 0.0000 0.4512-0.0000 ( 5184 PWs) bands (ev): -2.6720 -2.6720 -2.2947 -2.2947 -0.2248 -0.2248 0.5985 0.5985 3.2078 3.2078 3.6109 3.6109 6.2848 6.2848 6.5120 6.5120 6.6536 6.6536 7.0937 7.0937 7.7440 7.7440 7.8904 7.8904 8.4635 8.4635 9.1303 9.1303 9.7044 9.7044 10.3229 10.3229 11.2312 11.2312 11.3027 11.3027 k = 0.0000 0.4634-0.0000 ( 5170 PWs) bands (ev): -2.6178 -2.6178 -2.3331 -2.3331 -0.1307 -0.1307 0.4868 0.4868 3.2362 3.2362 3.5407 3.5407 6.3206 6.3206 6.4913 6.4913 6.6987 6.6987 7.0506 7.0506 7.7427 7.7427 7.8611 7.8611 8.5470 8.5470 9.0499 9.0499 9.7831 9.7831 10.2548 10.2548 11.2596 11.2596 11.3118 11.3118 k = 0.0000 0.4756-0.0000 ( 5172 PWs) bands (ev): -2.5651 -2.5651 -2.3744 -2.3744 -0.0341 -0.0341 0.3776 0.3776 3.2714 3.2714 3.4754 3.4754 6.3529 6.3529 6.4659 6.4659 6.7547 6.7547 6.9986 6.9986 7.7501 7.7501 7.8331 7.8331 8.6312 8.6312 8.9678 8.9678 9.8632 9.8632 10.1812 10.1812 11.2810 11.2810 11.3162 11.3162 k = 0.0000 0.4878-0.0000 ( 5172 PWs) bands (ev): -2.5141 -2.5141 -2.4186 -2.4186 0.0650 0.0650 0.2709 0.2709 3.3132 3.3132 3.4155 3.4155 6.3828 6.3828 6.4389 6.4389 6.8157 6.8157 6.9403 6.9403 7.7643 7.7643 7.8070 7.8070 8.7157 8.7157 8.8844 8.8844 9.9438 9.9438 10.1039 10.1039 11.2973 11.2973 11.3151 11.3151 k = 0.0000 0.5000-0.0000 ( 5168 PWs) bands (ev): -2.4652 -2.4652 -2.4652 -2.4652 0.1667 0.1667 0.1667 0.1667 3.3613 3.3613 3.3613 3.3613 6.4113 6.4113 6.4113 6.4113 6.8785 6.8785 6.8785 6.8785 7.7838 7.7838 7.7838 7.7838 8.8002 8.8002 8.8002 8.8002 10.0244 10.0244 10.0244 10.0244 11.3087 11.3087 11.3087 11.3087 k = 0.0000 0.5000-0.0000 ( 5168 PWs) bands (ev): -2.4652 -2.4652 -2.4652 -2.4652 0.1667 0.1667 0.1667 0.1667 3.3613 3.3613 3.3613 3.3613 6.4113 6.4113 6.4113 6.4113 6.8785 6.8785 6.8785 6.8785 7.7838 7.7838 7.7838 7.7838 8.8002 8.8002 8.8002 8.8002 10.0244 10.0244 10.0244 10.0244 11.3087 11.3087 11.3087 11.3087 k = 0.0122 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.4647 -2.4647 -2.4646 -2.4646 0.1676 0.1676 0.1682 0.1682 3.3608 3.3608 3.3637 3.3637 6.4025 6.4025 6.4141 6.4141 6.8689 6.8689 6.8868 6.8868 7.7806 7.7806 7.7836 7.7836 8.7731 8.7731 8.7952 8.7952 10.0318 10.0318 10.0445 10.0445 11.3072 11.3072 11.3086 11.3086 k = 0.0244 0.5000-0.0000 ( 5168 PWs) bands (ev): -2.4631 -2.4631 -2.4630 -2.4630 0.1710 0.1710 0.1722 0.1722 3.3621 3.3621 3.3678 3.3678 6.3882 6.3882 6.4106 6.4106 6.8584 6.8584 6.8932 6.8932 7.7741 7.7741 7.7804 7.7804 8.7172 8.7172 8.7594 8.7594 10.0657 10.0657 10.0888 10.0888 11.3042 11.3042 11.3070 11.3070 k = 0.0366 0.5000-0.0000 ( 5170 PWs) bands (ev): -2.4604 -2.4604 -2.4603 -2.4603 0.1769 0.1769 0.1786 0.1786 3.3650 3.3650 3.3736 3.3736 6.3691 6.3691 6.4003 6.4003 6.8474 6.8474 6.8974 6.8974 7.7639 7.7639 7.7739 7.7739 8.6383 8.6383 8.6977 8.6977 10.1214 10.1214 10.1518 10.1518 11.2997 11.2997 11.3036 11.3036 k = 0.0488 0.5000-0.0000 ( 5178 PWs) bands (ev): -2.4567 -2.4567 -2.4565 -2.4565 0.1852 0.1852 0.1875 0.1875 3.3696 3.3696 3.3813 3.3813 6.3454 6.3454 6.3831 6.3831 6.8364 6.8364 6.8991 6.8991 7.7497 7.7497 7.7641 7.7641 8.5426 8.5426 8.6167 8.6167 10.1928 10.1928 10.2275 10.2275 11.2935 11.2935 11.2985 11.2985 k = 0.0610 0.5000-0.0000 ( 5190 PWs) bands (ev): -2.4520 -2.4520 -2.4517 -2.4517 0.1959 0.1959 0.1988 0.1988 3.3758 3.3758 3.3906 3.3906 6.3177 6.3177 6.3591 6.3591 6.8253 6.8253 6.8979 6.8979 7.7307 7.7307 7.7506 7.7506 8.4357 8.4357 8.5228 8.5228 10.2744 10.2744 10.3111 10.3111 11.2859 11.2859 11.2917 11.2917 k = 0.0732 0.5000-0.0000 ( 5194 PWs) bands (ev): -2.4462 -2.4462 -2.4459 -2.4459 0.2091 0.2091 0.2126 0.2126 3.3836 3.3836 3.4016 3.4016 6.2864 6.2864 6.3286 6.3286 6.8142 6.8142 6.8938 6.8938 7.7060 7.7060 7.7328 7.7328 8.3221 8.3221 8.4215 8.4215 10.3619 10.3619 10.3991 10.3991 11.2767 11.2767 11.2833 11.2833 k = 0.0854 0.5000-0.0000 ( 5188 PWs) bands (ev): -2.4394 -2.4394 -2.4390 -2.4390 0.2247 0.2247 0.2287 0.2287 3.3927 3.3927 3.4142 3.4142 6.2519 6.2519 6.2920 6.2920 6.8027 6.8027 6.8866 6.8866 7.6742 7.6742 7.7091 7.7091 8.2063 8.2063 8.3177 8.3177 10.4523 10.4523 10.4888 10.4888 11.2664 11.2664 11.2733 11.2733 k = 0.0976 0.5000-0.0000 ( 5172 PWs) bands (ev): -2.4317 -2.4317 -2.4312 -2.4312 0.2426 0.2426 0.2472 0.2472 3.4031 3.4031 3.4283 3.4283 6.2147 6.2147 6.2501 6.2501 6.7905 6.7905 6.8762 6.8762 7.6331 7.6331 7.6770 7.6770 8.0931 8.0931 8.2161 8.2161 10.5433 10.5433 10.5787 10.5787 11.2552 11.2552 11.2622 11.2622 k = 0.1098 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.4230 -2.4230 -2.4225 -2.4225 0.2629 0.2629 0.2680 0.2680 3.4146 3.4146 3.4437 3.4437 6.1750 6.1750 6.2035 6.2035 6.7768 6.7768 6.8625 6.8625 7.5803 7.5803 7.6318 7.6318 7.9893 7.9893 8.1212 8.1212 10.6331 10.6331 10.6672 10.6672 11.2438 11.2438 11.2506 11.2506 k = 0.1220 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.4134 -2.4134 -2.4128 -2.4128 0.2855 0.2855 0.2911 0.2911 3.4271 3.4271 3.4604 3.4604 6.1333 6.1333 6.1531 6.1531 6.7611 6.7611 6.8452 6.8452 7.5136 7.5136 7.5676 7.5676 7.9024 7.9024 8.0369 8.0369 10.7205 10.7205 10.7534 10.7534 11.2330 11.2330 11.2391 11.2391 k = 0.1341 0.5000-0.0000 ( 5184 PWs) bands (ev): -2.4030 -2.4030 -2.4023 -2.4023 0.3104 0.3104 0.3165 0.3165 3.4404 3.4404 3.4781 3.4781 6.0901 6.0901 6.0997 6.0997 6.7423 6.7423 6.8242 6.8242 7.4322 7.4322 7.4820 7.4820 7.8365 7.8365 7.9655 7.9655 10.8042 10.8042 10.8364 10.8364 11.2240 11.2240 11.2288 11.2288 k = 0.1463 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.3917 -2.3917 -2.3910 -2.3910 0.3375 0.3375 0.3441 0.3441 3.4543 3.4543 3.4968 3.4968 6.0439 6.0439 6.0457 6.0457 6.7192 6.7192 6.7988 6.7988 7.3381 7.3381 7.3800 7.3800 7.7886 7.7886 7.9066 7.9066 10.8826 10.8826 10.9147 10.9147 11.2185 11.2185 11.2213 11.2213 k = 0.1585 0.5000-0.0000 ( 5180 PWs) bands (ev): -2.3797 -2.3797 -2.3789 -2.3789 0.3668 0.3668 0.3739 0.3739 3.4687 3.4687 3.5161 3.5161 5.9866 5.9866 6.0006 6.0006 6.6901 6.6901 6.7683 6.7683 7.2353 7.2353 7.2701 7.2701 7.7523 7.7523 7.8582 7.8582 10.9532 10.9532 10.9862 10.9862 11.2192 11.2192 11.2193 11.2193 k = 0.1707 0.5000-0.0000 ( 5186 PWs) bands (ev): -2.3670 -2.3670 -2.3662 -2.3662 0.3982 0.3982 0.4057 0.4057 3.4832 3.4832 3.5359 3.5359 5.9284 5.9284 5.9551 5.9551 6.6525 6.6525 6.7311 6.7311 7.1287 7.1287 7.1602 7.1602 7.7230 7.7230 7.8176 7.8176 11.0121 11.0121 11.0465 11.0465 11.2273 11.2273 11.2308 11.2308 k = 0.1829 0.5000-0.0000 ( 5190 PWs) bands (ev): -2.3536 -2.3536 -2.3527 -2.3527 0.4317 0.4317 0.4396 0.4396 3.4977 3.4977 3.5560 3.5560 5.8700 5.8700 5.9095 5.9095 6.6027 6.6027 6.6847 6.6847 7.0242 7.0242 7.0572 7.0572 7.6978 7.6978 7.7826 7.7826 11.0550 11.0550 11.0890 11.0891 11.2523 11.2523 11.2577 11.2577 k = 0.1951 0.5000-0.0000 ( 5182 PWs) bands (ev): -2.3397 -2.3397 -2.3387 -2.3387 0.4671 0.4671 0.4754 0.4754 3.5119 3.5119 3.5760 3.5760 5.8120 5.8120 5.8641 5.8641 6.5373 6.5373 6.6251 6.6251 6.9279 6.9279 6.9666 6.9666 7.6753 7.6753 7.7516 7.7516 11.0819 11.0819 11.1129 11.1129 11.2958 11.2958 11.3002 11.3002 k = 0.2073 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.3252 -2.3252 -2.3242 -2.3242 0.5045 0.5045 0.5132 0.5132 3.5256 3.5256 3.5957 3.5957 5.7550 5.7550 5.8192 5.8192 6.4543 6.4543 6.5494 6.5494 6.8451 6.8451 6.8915 6.8915 7.6548 7.6548 7.7235 7.7235 11.0989 11.0989 11.1260 11.1260 11.3499 11.3499 11.3526 11.3526 k = 0.2195 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.3103 -2.3103 -2.3092 -2.3092 0.5437 0.5437 0.5527 0.5527 3.5386 3.5386 3.6148 3.6148 5.6996 5.6996 5.7746 5.7746 6.3559 6.3559 6.4582 6.4582 6.7768 6.7768 6.8307 6.8307 7.6358 7.6358 7.6977 7.6977 11.1121 11.1121 11.1357 11.1357 11.4072 11.4072 11.4090 11.4090 k = 0.2317 0.5000-0.0000 ( 5180 PWs) bands (ev): -2.2950 -2.2950 -2.2939 -2.2939 0.5845 0.5845 0.5938 0.5938 3.5506 3.5506 3.6329 3.6329 5.6463 5.6463 5.7301 5.7301 6.2465 6.2465 6.3567 6.3567 6.7194 6.7194 6.7806 6.7806 7.6181 7.6181 7.6737 7.6737 11.1251 11.1251 11.1458 11.1458 11.4639 11.4639 11.4654 11.4654 k = 0.2439 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.2795 -2.2795 -2.2783 -2.2783 0.6270 0.6270 0.6365 0.6365 3.5615 3.5615 3.6498 3.6498 5.5955 5.5955 5.6850 5.6850 6.1308 6.1308 6.2512 6.2512 6.6686 6.6686 6.7373 6.7373 7.6015 7.6015 7.6512 7.6512 11.1399 11.1399 11.1580 11.1580 11.5177 11.5177 11.5198 11.5198 k = 0.2561 0.5000-0.0000 ( 5176 PWs) bands (ev): -2.2637 -2.2637 -2.2625 -2.2625 0.6709 0.6709 0.6807 0.6807 3.5710 3.5710 3.6650 3.6650 5.5472 5.5472 5.6381 5.6381 6.0126 6.0126 6.1471 6.1471 6.6214 6.6214 6.6981 6.6981 7.5859 7.5859 7.6300 7.6300 11.1575 11.1575 11.1732 11.1732 11.5673 11.5673 11.5705 11.5705 k = 0.2683 0.5000-0.0000 ( 5172 PWs) bands (ev): -2.2479 -2.2479 -2.2466 -2.2466 0.7161 0.7161 0.7260 0.7260 3.5790 3.5790 3.6784 3.6784 5.5014 5.5014 5.5873 5.5873 5.8946 5.8946 6.0491 6.0491 6.5759 6.5759 6.6611 6.6611 7.5713 7.5713 7.6101 7.6101 11.1783 11.1783 11.1918 11.1918 11.6113 11.6113 11.6161 11.6161 k = 0.2805 0.5000-0.0000 ( 5168 PWs) bands (ev): -2.2320 -2.2320 -2.2307 -2.2307 0.7624 0.7624 0.7725 0.7725 3.5855 3.5855 3.6896 3.6896 5.4571 5.4571 5.5300 5.5300 5.7801 5.7801 5.9618 5.9618 6.5312 6.5312 6.6252 6.6252 7.5576 7.5576 7.5912 7.5912 11.2026 11.2026 11.2139 11.2139 11.6490 11.6490 11.6554 11.6554 k = 0.2927 0.5000-0.0000 ( 5180 PWs) bands (ev): -2.2162 -2.2162 -2.2148 -2.2148 0.8097 0.8097 0.8199 0.8199 3.5904 3.5904 3.6984 3.6984 5.4117 5.4117 5.4635 5.4635 5.6729 5.6729 5.8889 5.8889 6.4869 6.4869 6.5900 6.5900 7.5448 7.5448 7.5735 7.5735 11.2304 11.2304 11.2396 11.2396 11.6802 11.6802 11.6879 11.6879 k = 0.3049 0.5000-0.0000 ( 5188 PWs) bands (ev): -2.2005 -2.2005 -2.1992 -2.1992 0.8577 0.8577 0.8679 0.8679 3.5937 3.5937 3.7046 3.7046 5.3594 5.3594 5.3870 5.3870 5.5801 5.5801 5.8322 5.8322 6.4427 6.4427 6.5549 6.5549 7.5328 7.5328 7.5568 7.5568 11.2618 11.2618 11.2688 11.2688 11.7057 11.7057 11.7142 11.7142 k = 0.3171 0.5000-0.0000 ( 5188 PWs) bands (ev): -2.1852 -2.1852 -2.1838 -2.1838 0.9062 0.9062 0.9163 0.9163 3.5956 3.5956 3.7082 3.7082 5.2924 5.2924 5.3017 5.3017 5.5103 5.5103 5.7910 5.7910 6.3985 6.3985 6.5199 6.5199 7.5215 7.5215 7.5412 7.5412 11.2965 11.2965 11.3014 11.3014 11.7264 11.7264 11.7353 11.7353 k = 0.3293 0.5000-0.0000 ( 5200 PWs) bands (ev): -2.1702 -2.1702 -2.1688 -2.1688 0.9548 0.9548 0.9649 0.9649 3.5960 3.5960 3.7093 3.7093 5.2088 5.2088 5.2107 5.2107 5.4662 5.4662 5.7629 5.7629 6.3543 6.3543 6.4848 6.4848 7.5110 7.5110 7.5267 7.5267 11.3342 11.3342 11.3372 11.3372 11.7437 11.7437 11.7526 11.7526 k = 0.3415 0.5000-0.0000 ( 5196 PWs) bands (ev): -2.1557 -2.1557 -2.1543 -2.1543 1.0034 1.0034 1.0132 1.0132 3.5954 3.5954 3.7079 3.7079 5.1155 5.1155 5.1171 5.1171 5.4412 5.4412 5.7450 5.7450 6.3103 6.3103 6.4497 6.4497 7.5012 7.5012 7.5132 7.5132 11.3747 11.3747 11.3758 11.3758 11.7583 11.7583 11.7671 11.7671 k = 0.3537 0.5000-0.0000 ( 5192 PWs) bands (ev): -2.1417 -2.1417 -2.1404 -2.1404 1.0515 1.0515 1.0610 1.0610 3.5938 3.5938 3.7042 3.7042 5.0195 5.0195 5.0232 5.0232 5.4290 5.4290 5.7352 5.7352 6.2665 6.2665 6.4145 6.4145 7.4920 7.4920 7.5009 7.5009 11.4169 11.4169 11.4175 11.4175 11.7711 11.7711 11.7795 11.7795 k = 0.3659 0.5000-0.0000 ( 5192 PWs) bands (ev): -2.1284 -2.1284 -2.1271 -2.1271 1.0986 1.0986 1.1079 1.1079 3.5917 3.5917 3.6986 3.6986 4.9247 4.9247 4.9310 4.9310 5.4257 5.4257 5.7317 5.7317 6.2232 6.2232 6.3794 6.3794 7.4835 7.4835 7.4895 7.4895 11.4599 11.4599 11.4620 11.4620 11.7823 11.7823 11.7904 11.7904 k = 0.3780 0.5000-0.0000 ( 5194 PWs) bands (ev): -2.1159 -2.1159 -2.1147 -2.1147 1.1445 1.1445 1.1534 1.1534 3.5892 3.5892 3.6913 3.6913 4.8334 4.8334 4.8421 4.8421 5.4295 5.4295 5.7330 5.7330 6.1807 6.1807 6.3443 6.3443 7.4757 7.4757 7.4793 7.4793 11.5042 11.5042 11.5076 11.5076 11.7925 11.7925 11.8003 11.8003 k = 0.3902 0.5000-0.0000 ( 5194 PWs) bands (ev): -2.1042 -2.1042 -2.1031 -2.1031 1.1886 1.1886 1.1970 1.1970 3.5868 3.5868 3.6829 3.6829 4.7469 4.7469 4.7574 4.7574 5.4392 5.4392 5.7381 5.7381 6.1394 6.1394 6.3094 6.3094 7.4685 7.4685 7.4702 7.4702 11.5490 11.5490 11.5534 11.5534 11.8019 11.8019 11.8094 11.8094 k = 0.4024 0.5000-0.0000 ( 5194 PWs) bands (ev): -2.0935 -2.0935 -2.0925 -2.0925 1.2304 1.2304 1.2382 1.2382 3.5846 3.5846 3.6736 3.6736 4.6665 4.6665 4.6782 4.6782 5.4538 5.4538 5.7457 5.7457 6.0998 6.0998 6.2747 6.2747 7.4620 7.4620 7.4621 7.4621 11.5935 11.5935 11.5984 11.5984 11.8109 11.8109 11.8181 11.8181 k = 0.4146 0.5000-0.0000 ( 5194 PWs) bands (ev): -2.0839 -2.0839 -2.0829 -2.0829 1.2693 1.2693 1.2764 1.2764 3.5831 3.5831 3.6638 3.6638 4.5929 4.5929 4.6052 4.6052 5.4726 5.4726 5.7542 5.7542 6.0630 6.0630 6.2404 6.2404 7.4551 7.4551 7.4561 7.4561 11.6363 11.6363 11.6413 11.6413 11.8196 11.8196 11.8267 11.8267 k = 0.4268 0.5000-0.0000 ( 5202 PWs) bands (ev): -2.0753 -2.0753 -2.0745 -2.0745 1.3048 1.3048 1.3111 1.3111 3.5824 3.5824 3.6538 3.6538 4.5271 4.5271 4.5394 4.5394 5.4951 5.4951 5.7618 5.7618 6.0306 6.0306 6.2066 6.2066 7.4492 7.4492 7.4509 7.4509 11.6760 11.6760 11.6808 11.6808 11.8287 11.8287 11.8356 11.8356 k = 0.4390 0.5000-0.0000 ( 5206 PWs) bands (ev): -2.0679 -2.0679 -2.0672 -2.0672 1.3362 1.3362 1.3416 1.3416 3.5827 3.5827 3.6440 3.6440 4.4700 4.4700 4.4815 4.4815 5.5206 5.5206 5.7657 5.7657 6.0049 6.0049 6.1734 6.1734 7.4443 7.4443 7.4463 7.4463 11.7110 11.7110 11.7150 11.7150 11.8387 11.8387 11.8454 11.8454 k = 0.4512 0.5000-0.0000 ( 5208 PWs) bands (ev): -2.0618 -2.0618 -2.0612 -2.0612 1.3630 1.3630 1.3674 1.3674 3.5842 3.5842 3.6345 3.6345 4.4222 4.4222 4.4325 4.4325 5.5486 5.5486 5.7628 5.7628 5.9888 5.9888 6.1411 6.1411 7.4405 7.4405 7.4425 7.4425 11.7394 11.7394 11.7423 11.7423 11.8500 11.8500 11.8564 11.8564 k = 0.4634 0.5000-0.0000 ( 5204 PWs) bands (ev): -2.0569 -2.0569 -2.0565 -2.0565 1.3846 1.3846 1.3880 1.3880 3.5869 3.5869 3.6254 3.6254 4.3846 4.3846 4.3929 4.3929 5.5786 5.5786 5.7509 5.7509 5.9844 5.9844 6.1099 6.1099 7.4376 7.4376 7.4393 7.4393 11.7601 11.7601 11.7620 11.7620 11.8625 11.8625 11.8681 11.8681 k = 0.4756 0.5000-0.0000 ( 5204 PWs) bands (ev): -2.0534 -2.0534 -2.0531 -2.0531 1.4006 1.4006 1.4029 1.4029 3.5909 3.5909 3.6169 3.6169 4.3577 4.3577 4.3636 4.3636 5.6100 5.6100 5.7304 5.7304 5.9910 5.9910 6.0801 6.0801 7.4357 7.4357 7.4370 7.4370 11.7735 11.7735 11.7746 11.7746 11.8744 11.8744 11.8785 11.8785 k = 0.4878 0.5000-0.0000 ( 5208 PWs) bands (ev): -2.0512 -2.0512 -2.0511 -2.0511 1.4106 1.4106 1.4117 1.4117 3.5960 3.5960 3.6091 3.6091 4.3421 4.3421 4.3451 4.3451 5.6420 5.6420 5.7038 5.7038 6.0061 6.0061 6.0523 6.0523 7.4347 7.4347 7.4354 7.4354 11.7808 11.7808 11.7813 11.7813 11.8833 11.8833 11.8855 11.8855 k = 0.5000 0.5000-0.0000 ( 5224 PWs) bands (ev): -2.0505 -2.0505 -2.0505 -2.0505 1.4143 1.4143 1.4143 1.4143 3.6021 3.6021 3.6021 3.6021 4.3379 4.3379 4.3379 4.3379 5.6737 5.6737 5.6737 5.6737 6.0272 6.0272 6.0272 6.0272 7.4346 7.4346 7.4346 7.4346 11.7833 11.7833 11.7833 11.7833 11.8873 11.8873 11.8873 11.8873 k = 0.5000 0.5000-0.0000 ( 5224 PWs) bands (ev): -2.0505 -2.0505 -2.0505 -2.0505 1.4143 1.4143 1.4143 1.4143 3.6021 3.6021 3.6021 3.6021 4.3379 4.3379 4.3379 4.3379 5.6737 5.6737 5.6737 5.6737 6.0272 6.0272 6.0272 6.0272 7.4346 7.4346 7.4346 7.4346 11.7833 11.7833 11.7833 11.7833 11.8873 11.8873 11.8873 11.8873 k = 0.4914 0.4914-0.0000 ( 5210 PWs) bands (ev): -2.0522 -2.0522 -2.0501 -2.0501 1.4066 1.4066 1.4157 1.4157 3.5960 3.5960 3.6092 3.6092 4.3384 4.3384 4.3488 4.3488 5.6416 5.6416 5.7042 5.7042 6.0060 6.0060 6.0523 6.0523 7.4346 7.4346 7.4355 7.4355 11.7786 11.7786 11.7836 11.7836 11.8813 11.8814 11.8874 11.8874 k = 0.4828 0.4828-0.0000 ( 5206 PWs) bands (ev): -2.0573 -2.0573 -2.0492 -2.0492 1.3839 1.3839 1.4198 1.4198 3.5908 3.5908 3.6172 3.6172 4.3406 4.3406 4.3804 4.3804 5.6074 5.6074 5.7336 5.7336 5.9896 5.9896 6.0807 6.0807 7.4351 7.4351 7.4376 7.4376 11.7648 11.7648 11.7845 11.7845 11.8644 11.8644 11.8868 11.8868 k = 0.4741 0.4741-0.0000 ( 5206 PWs) bands (ev): -2.0658 -2.0658 -2.0476 -2.0476 1.3472 1.3472 1.4266 1.4266 3.5867 3.5867 3.6265 3.6265 4.3444 4.3444 4.4318 4.4318 5.5705 5.5705 5.7621 5.7621 5.9789 5.9789 6.1116 6.1116 7.4361 7.4361 7.4411 7.4411 11.7424 11.7424 11.7852 11.7852 11.8372 11.8372 11.8855 11.8855 k = 0.4655 0.4655-0.0000 ( 5206 PWs) bands (ev): -2.0777 -2.0777 -2.0454 -2.0454 1.2977 1.2977 1.4361 1.4361 3.5839 3.5839 3.6373 3.6373 4.3497 4.3497 4.5011 4.5011 5.5305 5.5305 5.7890 5.7890 5.9751 5.9751 6.1446 6.1446 7.4378 7.4378 7.4459 7.4459 11.7123 11.7123 11.7790 11.7790 11.8069 11.8069 11.8829 11.8829 k = 0.4569 0.4569-0.0000 ( 5200 PWs) bands (ev): -2.0930 -2.0930 -2.0427 -2.0427 1.2371 1.2371 1.4483 1.4483 3.5829 3.5829 3.6497 3.6497 4.3565 4.3565 4.5865 4.5865 5.4873 5.4873 5.8134 5.8134 5.9795 5.9795 6.1793 6.1793 7.4404 7.4404 7.4522 7.4522 11.6754 11.6754 11.7415 11.7415 11.7994 11.7994 11.8786 11.8786 k = 0.4483 0.4483-0.0000 ( 5204 PWs) bands (ev): -2.1115 -2.1115 -2.0394 -2.0394 1.1671 1.1671 1.4632 1.4632 3.5838 3.5838 3.6639 3.6639 4.3648 4.3648 4.6859 4.6859 5.4412 5.4412 5.8339 5.8339 5.9931 5.9931 6.2154 6.2154 7.4442 7.4442 7.4599 7.4599 11.6325 11.6325 11.6873 11.6873 11.8017 11.8017 11.8720 11.8720 k = 0.4397 0.4397-0.0000 ( 5196 PWs) bands (ev): -2.1331 -2.1331 -2.0357 -2.0357 1.0894 1.0894 1.4809 1.4809 3.5870 3.5870 3.6799 3.6799 4.3747 4.3747 4.7970 4.7970 5.3926 5.3926 5.8502 5.8502 6.0160 6.0160 6.2527 6.2527 7.4493 7.4493 7.4690 7.4690 11.5843 11.5843 11.6270 11.6270 11.8053 11.8053 11.8630 11.8630 k = 0.4310 0.4310-0.0000 ( 5204 PWs) bands (ev): -2.1580 -2.1580 -2.0315 -2.0315 1.0055 1.0055 1.5012 1.5012 3.5928 3.5928 3.6980 3.6980 4.3861 4.3861 4.9174 4.9174 5.3430 5.3430 5.8631 5.8631 6.0463 6.0463 6.2911 6.2911 7.4562 7.4562 7.4796 7.4796 11.5312 11.5312 11.5645 11.5645 11.8086 11.8086 11.8518 11.8518 k = 0.4224 0.4224-0.0000 ( 5200 PWs) bands (ev): -2.1858 -2.1858 -2.0270 -2.0270 0.9168 0.9168 1.5242 1.5242 3.6013 3.6013 3.7182 3.7182 4.3991 4.3991 5.0419 5.0419 5.2962 5.2962 5.8743 5.8743 6.0819 6.0819 6.3305 6.3305 7.4650 7.4650 7.4916 7.4916 11.4735 11.4735 11.5026 11.5026 11.8092 11.8092 11.8403 11.8403 k = 0.4138 0.4138-0.0000 ( 5196 PWs) bands (ev): -2.2166 -2.2166 -2.0222 -2.0222 0.8246 0.8246 1.5500 1.5500 3.6128 3.6128 3.7404 3.7404 4.4136 4.4136 5.1432 5.1432 5.2788 5.2788 5.8850 5.8850 6.1205 6.1205 6.3708 6.3708 7.4760 7.4760 7.5052 7.5052 11.4131 11.4131 11.4423 11.4423 11.8010 11.8010 11.8342 11.8342 k = 0.4052 0.4052-0.0000 ( 5190 PWs) bands (ev): -2.2501 -2.2501 -2.0173 -2.0173 0.7297 0.7297 1.5784 1.5784 3.6274 3.6274 3.7649 3.7649 4.4297 4.4297 5.1404 5.1404 5.3711 5.3711 5.8960 5.8960 6.1606 6.1606 6.4119 6.4119 7.4893 7.4893 7.5202 7.5202 11.3528 11.3528 11.3831 11.3831 11.7823 11.7823 11.8347 11.8347 k = 0.3966 0.3966-0.0000 ( 5194 PWs) bands (ev): -2.2864 -2.2864 -2.0122 -2.0122 0.6330 0.6330 1.6095 1.6095 3.6453 3.6453 3.7915 3.7915 4.4472 4.4472 5.0924 5.0924 5.5134 5.5134 5.9080 5.9080 6.2009 6.2009 6.4539 6.4539 7.5051 7.5051 7.5369 7.5369 11.2945 11.2945 11.3251 11.3251 11.7577 11.7577 11.8369 11.8369 k = 0.3879 0.3879-0.0000 ( 5194 PWs) bands (ev): -2.3252 -2.3252 -2.0072 -2.0072 0.5354 0.5354 1.6433 1.6433 3.6666 3.6666 3.8203 3.8203 4.4660 4.4660 5.0376 5.0376 5.6658 5.6658 5.9220 5.9220 6.2407 6.2407 6.4966 6.4966 7.5236 7.5236 7.5551 7.5551 11.2373 11.2373 11.2706 11.2706 11.7288 11.7288 11.8373 11.8373 k = 0.3793 0.3793-0.0000 ( 5198 PWs) bands (ev): -2.3663 -2.3663 -2.0022 -2.0022 0.4372 0.4372 1.6798 1.6798 3.6914 3.6914 3.8514 3.8514 4.4860 4.4860 4.9819 4.9819 5.8173 5.8173 5.9423 5.9423 6.2800 6.2800 6.5401 6.5401 7.5447 7.5447 7.5749 7.5749 11.1788 11.1788 11.2230 11.2230 11.6965 11.6965 11.8284 11.8284 k = 0.3707 0.3707-0.0000 ( 5200 PWs) bands (ev): -2.4097 -2.4097 -1.9975 -1.9975 0.3392 0.3392 1.7190 1.7190 3.7196 3.7196 3.8848 3.8848 4.5067 4.5067 4.9273 4.9273 5.9205 5.9205 6.0116 6.0116 6.3210 6.3210 6.5842 6.5842 7.5684 7.5684 7.5966 7.5966 11.1174 11.1174 11.1844 11.1844 11.6608 11.6608 11.7995 11.7995 k = 0.3621 0.3621-0.0000 ( 5200 PWs) bands (ev): -2.4551 -2.4551 -1.9931 -1.9931 0.2416 0.2416 1.7608 1.7608 3.7511 3.7511 3.9206 3.9206 4.5274 4.5274 4.8755 4.8755 5.9491 5.9491 6.1453 6.1453 6.3729 6.3729 6.6291 6.6291 7.5946 7.5946 7.6202 7.6202 11.0538 11.0538 11.1541 11.1541 11.6220 11.6220 11.7643 11.7643 k = 0.3534 0.3534-0.0000 ( 5210 PWs) bands (ev): -2.5024 -2.5024 -1.9890 -1.9890 0.1448 0.1448 1.8053 1.8053 3.7858 3.7858 3.9587 3.9587 4.5466 4.5466 4.8288 4.8288 5.9677 5.9677 6.2506 6.2506 6.4624 6.4624 6.6746 6.6746 7.6228 7.6228 7.6463 7.6463 10.9885 10.9885 11.1307 11.1307 11.5800 11.5800 11.7332 11.7332 k = 0.3448 0.3448-0.0000 ( 5194 PWs) bands (ev): -2.5514 -2.5514 -1.9855 -1.9855 0.0491 0.0491 1.8524 1.8524 3.8235 3.8235 3.9992 3.9992 4.5613 4.5613 4.7910 4.7910 5.9854 5.9854 6.3038 6.3038 6.6028 6.6028 6.7213 6.7213 7.6522 7.6522 7.6756 7.6756 10.9217 10.9217 11.1125 11.1125 11.5348 11.5348 11.7100 11.7100 k = 0.3362 0.3362-0.0000 ( 5186 PWs) bands (ev): -2.6019 -2.6019 -1.9826 -1.9826 -0.0453 -0.0453 1.9021 1.9021 3.8639 3.8639 4.0420 4.0420 4.5665 4.5665 4.7677 4.7677 6.0032 6.0032 6.3285 6.3285 6.7508 6.7508 6.7867 6.7867 7.6821 7.6821 7.7091 7.7091 10.8537 10.8537 11.0973 11.0973 11.4863 11.4863 11.6976 11.6976 k = 0.3276 0.3276-0.0000 ( 5190 PWs) bands (ev): -2.6537 -2.6537 -1.9804 -1.9804 -0.1381 -0.1381 1.9545 1.9545 3.9065 3.9065 4.0870 4.0870 4.5580 4.5580 4.7638 4.7638 6.0215 6.0215 6.3401 6.3401 6.8075 6.8075 6.9537 6.9537 7.7121 7.7121 7.7469 7.7469 10.7844 10.7844 11.0828 11.0828 11.4347 11.4347 11.6983 11.6983 k = 0.3190 0.3190-0.0000 ( 5182 PWs) bands (ev): -2.7066 -2.7066 -1.9791 -1.9791 -0.2292 -0.2292 2.0095 2.0095 3.9509 3.9509 4.1341 4.1341 4.5384 4.5384 4.7779 4.7779 6.0400 6.0400 6.3437 6.3437 6.8533 6.8533 7.1358 7.1358 7.7425 7.7425 7.7889 7.7889 10.7137 10.7137 11.0672 11.0672 11.3798 11.3798 11.7135 11.7135 k = 0.3103 0.3103-0.0000 ( 5182 PWs) bands (ev): -2.7605 -2.7605 -1.9786 -1.9786 -0.3185 -0.3185 2.0671 2.0671 3.9962 3.9962 4.1824 4.1824 4.5147 4.5147 4.8041 4.8041 6.0587 6.0587 6.3420 6.3420 6.8977 6.8977 7.3212 7.3212 7.7737 7.7737 7.8348 7.8348 10.6414 10.6414 11.0491 11.0491 11.3217 11.3217 11.7430 11.7430 k = 0.3017 0.3017-0.0000 ( 5182 PWs) bands (ev): -2.8151 -2.8151 -1.9791 -1.9791 -0.4057 -0.4057 2.1273 2.1273 4.0416 4.0416 4.2310 4.2310 4.4936 4.4936 4.8381 4.8381 6.0770 6.0770 6.3368 6.3368 6.9406 6.9406 7.5077 7.5077 7.8059 7.8059 7.8847 7.8847 10.5675 10.5675 11.0284 11.0284 11.2604 11.2604 11.7805 11.7806 k = 0.2931 0.2931-0.0000 ( 5178 PWs) bands (ev): -2.8703 -2.8703 -1.9807 -1.9807 -0.4909 -0.4909 2.1900 2.1900 4.0857 4.0857 4.2771 4.2771 4.4813 4.4813 4.8774 4.8774 6.0944 6.0944 6.3300 6.3300 6.9820 6.9820 7.6930 7.6930 7.8391 7.8391 7.9397 7.9397 10.4917 10.4917 11.0056 11.0056 11.1960 11.1960 11.7797 11.7797 k = 0.2845 0.2845-0.0000 ( 5176 PWs) bands (ev): -2.9259 -2.9259 -1.9833 -1.9833 -0.5740 -0.5740 2.2553 2.2553 4.1263 4.1263 4.3167 4.3167 4.4847 4.4847 4.9207 4.9207 6.1099 6.1099 6.3238 6.3238 7.0213 7.0213 7.8607 7.8607 7.8838 7.8838 8.0049 8.0049 10.4139 10.4139 10.9817 10.9817 11.1285 11.1285 11.7597 11.7597 k = 0.2759 0.2759-0.0000 ( 5184 PWs) bands (ev): -2.9816 -2.9816 -1.9871 -1.9871 -0.6548 -0.6548 2.3231 2.3231 4.1603 4.1603 4.3476 4.3476 4.5094 4.5094 4.9674 4.9674 6.1222 6.1222 6.3210 6.3210 7.0582 7.0582 7.9051 7.9051 8.0117 8.0117 8.1129 8.1129 10.3339 10.3339 10.9577 10.9577 11.0582 11.0582 11.7354 11.7354 k = 0.2672 0.2672-0.0000 ( 5194 PWs) bands (ev): -3.0374 -3.0374 -1.9920 -1.9920 -0.7333 -0.7333 2.3934 2.3934 4.1845 4.1845 4.3754 4.3754 4.5525 4.5525 5.0172 5.0172 6.1304 6.1304 6.3238 6.3238 7.0923 7.0923 7.9404 7.9404 8.0912 8.0912 8.2801 8.2801 10.2515 10.2515 10.9347 10.9347 10.9853 10.9853 11.7078 11.7078 k = 0.2586 0.2586-0.0000 ( 5182 PWs) bands (ev): -3.0930 -3.0930 -1.9982 -1.9982 -0.8094 -0.8094 2.4662 2.4662 4.1983 4.1983 4.4077 4.4077 4.6063 4.6063 5.0698 5.0698 6.1346 6.1346 6.3338 6.3338 7.1234 7.1234 7.9758 7.9758 8.1595 8.1595 8.4585 8.4585 10.1663 10.1663 10.9061 10.9061 10.9180 10.9180 11.6771 11.6771 k = 0.2500 0.2500-0.0000 ( 5188 PWs) bands (ev): -3.1482 -3.1482 -2.0054 -2.0054 -0.8832 -0.8832 2.5415 2.5415 4.2048 4.2048 4.4462 4.4462 4.6652 4.6652 5.1252 5.1252 6.1366 6.1366 6.3509 6.3509 7.1509 7.1509 8.0114 8.0114 8.2276 8.2276 8.6356 8.6356 10.0784 10.0784 10.8315 10.8315 10.8979 10.8979 11.6437 11.6437 k = 0.2414 0.2414-0.0000 ( 5188 PWs) bands (ev): -3.2030 -3.2030 -2.0139 -2.0139 -0.9546 -0.9546 2.6191 2.6191 4.2081 4.2081 4.4884 4.4884 4.7261 4.7261 5.1832 5.1832 6.1391 6.1391 6.3742 6.3742 7.1747 7.1747 8.0470 8.0470 8.2970 8.2970 8.8080 8.8080 9.9874 9.9874 10.7528 10.7528 10.8847 10.8847 11.6077 11.6077 k = 0.2328 0.2328-0.0000 ( 5184 PWs) bands (ev): -3.2572 -3.2572 -2.0234 -2.0234 -1.0236 -1.0236 2.6992 2.6992 4.2111 4.2111 4.5319 4.5319 4.7872 4.7872 5.2438 5.2438 6.1450 6.1450 6.4025 6.4025 7.1943 7.1943 8.0824 8.0824 8.3680 8.3680 8.9735 8.9735 9.8933 9.8933 10.6730 10.6730 10.8771 10.8771 11.5694 11.5694 k = 0.2241 0.2241-0.0000 ( 5182 PWs) bands (ev): -3.3106 -3.3106 -2.0340 -2.0340 -1.0900 -1.0900 2.7815 2.7815 4.2157 4.2157 4.5742 4.5742 4.8476 4.8476 5.3069 5.3069 6.1570 6.1570 6.4350 6.4350 7.2094 7.2094 8.1173 8.1173 8.4405 8.4405 9.1297 9.1297 9.7959 9.7959 10.5929 10.5929 10.8757 10.8757 11.5291 11.5291 k = 0.2155 0.2155-0.0000 ( 5174 PWs) bands (ev): -3.3630 -3.3630 -2.0456 -2.0456 -1.1540 -1.1540 2.8662 2.8662 4.2230 4.2230 4.6133 4.6133 4.9070 4.9070 5.3724 5.3724 6.1769 6.1769 6.4713 6.4713 7.2198 7.2198 8.1515 8.1515 8.5141 8.5141 9.2743 9.2743 9.6954 9.6954 10.5130 10.5130 10.8816 10.8816 11.4870 11.4870 k = 0.2069 0.2069-0.0000 ( 5174 PWs) bands (ev): -3.4144 -3.4144 -2.0581 -2.0581 -1.2156 -1.2156 2.9531 2.9531 4.2334 4.2334 4.6472 4.6472 4.9657 4.9657 5.4402 5.4402 6.2060 6.2060 6.5112 6.5112 7.2252 7.2252 8.1847 8.1847 8.5886 8.5886 9.4042 9.4042 9.5927 9.5927 10.4341 10.4341 10.8953 10.8953 11.4425 11.4425 k = 0.1983 0.1983-0.0000 ( 5178 PWs) bands (ev): -3.4646 -3.4646 -2.0714 -2.0714 -1.2746 -1.2746 3.0421 3.0421 4.2473 4.2473 4.6746 4.6746 5.0243 5.0243 5.5104 5.5104 6.2445 6.2445 6.5549 6.5549 7.2254 7.2254 8.2166 8.2166 8.6635 8.6635 9.4702 9.4702 9.5351 9.5351 10.3567 10.3567 10.9167 10.9167 11.3779 11.3779 k = 0.1897 0.1897-0.0000 ( 5176 PWs) bands (ev): -3.5135 -3.5135 -2.0854 -2.0854 -1.3311 -1.3311 3.1333 3.1333 4.2646 4.2646 4.6943 4.6943 5.0839 5.0839 5.5829 5.5829 6.2919 6.2919 6.6028 6.6028 7.2203 7.2203 8.2469 8.2469 8.7382 8.7382 9.3677 9.3677 9.6263 9.6263 10.2816 10.2816 10.9449 10.9449 11.2529 11.2529 k = 0.1810 0.1810-0.0000 ( 5165 PWs) bands (ev): -3.5610 -3.5610 -2.1000 -2.1000 -1.3851 -1.3851 3.2265 3.2265 4.2854 4.2854 4.7061 4.7061 5.1450 5.1450 5.6574 5.6574 6.3469 6.3469 6.6555 6.6555 7.2097 7.2097 8.2753 8.2753 8.8123 8.8123 9.2541 9.2541 9.7087 9.7087 10.2092 10.2092 10.9775 10.9775 11.1200 11.1200 k = 0.1724 0.1724-0.0000 ( 5159 PWs) bands (ev): -3.6069 -3.6069 -2.1151 -2.1151 -1.4366 -1.4366 3.3216 3.3216 4.3095 4.3095 4.7106 4.7106 5.2081 5.2081 5.7340 5.7340 6.4073 6.4073 6.7139 6.7139 7.1936 7.1936 8.3014 8.3014 8.8846 8.8846 9.1375 9.1375 9.7758 9.7758 10.1402 10.1402 10.9821 10.9821 11.0155 11.0155 k = 0.1638 0.1638-0.0000 ( 5163 PWs) bands (ev): -3.6512 -3.6512 -2.1306 -2.1306 -1.4855 -1.4855 3.4186 3.4186 4.3364 4.3364 4.7090 4.7090 5.2731 5.2731 5.8123 5.8123 6.4708 6.4708 6.7789 6.7789 7.1721 7.1721 8.3250 8.3250 8.9489 8.9489 9.0241 9.0241 9.8286 9.8286 10.0756 10.0756 10.8506 10.8506 11.0445 11.0445 k = 0.1552 0.1552-0.0000 ( 5175 PWs) bands (ev): -3.6938 -3.6938 -2.1462 -2.1462 -1.5319 -1.5319 3.5172 3.5172 4.3656 4.3656 4.7028 4.7028 5.3399 5.3399 5.8923 5.8923 6.5349 6.5349 6.8512 6.8512 7.1453 7.1453 8.3458 8.3458 8.8857 8.8857 9.0334 9.0334 9.8678 9.8678 10.0172 10.0172 10.7177 10.7177 11.0670 11.0670 k = 0.1466 0.1466-0.0000 ( 5171 PWs) bands (ev): -3.7346 -3.7346 -2.1620 -2.1620 -1.5759 -1.5759 3.6174 3.6174 4.3962 4.3962 4.6941 4.6941 5.4082 5.4082 5.9736 5.9736 6.5980 6.5980 6.9307 6.9307 7.1137 7.1137 8.3635 8.3635 8.7626 8.7626 9.0976 9.0976 9.8880 9.8880 9.9728 9.9728 10.5864 10.5864 11.0604 11.0604 k = 0.1379 0.1379-0.0000 ( 5171 PWs) bands (ev): -3.7734 -3.7734 -2.1776 -2.1776 -1.6173 -1.6173 3.7189 3.7189 4.4267 4.4267 4.6854 4.6854 5.4776 5.4776 6.0559 6.0559 6.6589 6.6589 7.0147 7.0147 7.0797 7.0797 8.3776 8.3776 8.6362 8.6362 9.1603 9.1603 9.8705 9.8705 9.9637 9.9637 10.4571 10.4571 11.0045 11.0045 k = 0.1293 0.1293-0.0000 ( 5181 PWs) bands (ev): -3.8103 -3.8103 -2.1931 -2.1931 -1.6561 -1.6561 3.8216 3.8216 4.4544 4.4544 4.6801 4.6801 5.5475 5.5475 6.1388 6.1388 6.7173 6.7173 7.0308 7.0308 7.1147 7.1147 8.3868 8.3868 8.5099 8.5099 9.2191 9.2191 9.8294 9.8294 9.9778 9.9778 10.3307 10.3307 10.9445 10.9445 k = 0.1207 0.1207-0.0000 ( 5189 PWs) bands (ev): -3.8451 -3.8451 -2.2083 -2.2083 -1.6925 -1.6925 3.9251 3.9251 4.4756 4.4756 4.6826 4.6826 5.6174 5.6174 6.2219 6.2219 6.7733 6.7733 6.9883 6.9883 7.2084 7.2084 8.3601 8.3601 8.4156 8.4156 9.2731 9.2731 9.7857 9.7857 9.9956 9.9956 10.2078 10.2078 10.8852 10.8852 k = 0.1121 0.1121-0.0000 ( 5183 PWs) bands (ev): -3.8778 -3.8778 -2.2230 -2.2230 -1.7263 -1.7263 4.0292 4.0292 4.4866 4.4866 4.6971 4.6971 5.6869 5.6869 6.3045 6.3045 6.8264 6.8264 6.9422 6.9422 7.3051 7.3051 8.2411 8.2411 8.4107 8.4107 9.3214 9.3214 9.7442 9.7442 10.0118 10.0118 10.0907 10.0907 10.8277 10.8277 k = 0.1034 0.1034-0.0000 ( 5183 PWs) bands (ev): -3.9083 -3.9083 -2.2372 -2.2372 -1.7576 -1.7576 4.1333 4.1333 4.4869 4.4869 4.7243 4.7243 5.7551 5.7551 6.3857 6.3857 6.8656 6.8656 6.9061 6.9061 7.4013 7.4013 8.1130 8.1130 8.4131 8.4131 9.3631 9.3631 9.7060 9.7060 9.9658 9.9658 10.0410 10.0410 10.7728 10.7728 k = 0.0948 0.0948-0.0000 ( 5179 PWs) bands (ev): -3.9366 -3.9366 -2.2507 -2.2507 -1.7864 -1.7864 4.2368 4.2368 4.4797 4.4797 4.7614 4.7614 5.8215 5.8215 6.4641 6.4641 6.8345 6.8345 6.9387 6.9387 7.4944 7.4944 7.9853 7.9853 8.4151 8.4151 9.3972 9.3972 9.6716 9.6716 9.8579 9.8579 10.0593 10.0593 10.7215 10.7215 k = 0.0862 0.0862-0.0000 ( 5181 PWs) bands (ev): -3.9625 -3.9625 -2.2634 -2.2634 -1.8127 -1.8127 4.3383 4.3383 4.4692 4.4692 4.8050 4.8050 5.8850 5.8850 6.5363 6.5363 6.7897 6.7897 6.9869 6.9869 7.5821 7.5821 7.8596 7.8596 8.4167 8.4167 9.4226 9.4226 9.6414 9.6414 9.7532 9.7532 10.0821 10.0821 10.6744 10.6744 k = 0.0776 0.0776-0.0000 ( 5185 PWs) bands (ev): -3.9862 -3.9862 -2.2752 -2.2752 -1.8365 -1.8365 4.4248 4.4248 4.4701 4.4701 4.8522 4.8522 5.9446 5.9446 6.5922 6.5922 6.7577 6.7577 7.0347 7.0347 7.6613 7.6613 7.7378 7.7378 8.4192 8.4192 9.4380 9.4380 9.6147 9.6147 9.6561 9.6561 10.1081 10.1081 10.6324 10.6324 k = 0.0690 0.0690-0.0000 ( 5189 PWs) bands (ev): -4.0074 -4.0074 -2.2860 -2.2860 -1.8578 -1.8578 4.4318 4.4318 4.5475 4.5475 4.9013 4.9013 5.9990 5.9990 6.6066 6.6066 6.7651 6.7651 7.0809 7.0809 7.6181 7.6181 7.7329 7.7329 8.4236 8.4236 9.4426 9.4426 9.5564 9.5564 9.6035 9.6035 10.1372 10.1372 10.5961 10.5961 k = 0.0603 0.0603-0.0000 ( 5187 PWs) bands (ev): -4.0263 -4.0263 -2.2958 -2.2958 -1.8766 -1.8766 4.4198 4.4198 4.6407 4.6407 4.9506 4.9506 6.0466 6.0466 6.5815 6.5815 6.8109 6.8109 7.1248 7.1248 7.5066 7.5066 7.7903 7.7903 8.4310 8.4310 9.4370 9.4370 9.4729 9.4729 9.5897 9.5897 10.1696 10.1696 10.5657 10.5657 k = 0.0517 0.0517-0.0000 ( 5191 PWs) bands (ev): -4.0427 -4.0427 -2.3044 -2.3044 -1.8928 -1.8928 4.4074 4.4074 4.7301 4.7301 4.9987 4.9987 6.0855 6.0855 6.5468 6.5468 6.8664 6.8664 7.1654 7.1654 7.4031 7.4031 7.8350 7.8350 8.4421 8.4421 9.3963 9.3963 9.4237 9.4237 9.5820 9.5820 10.2049 10.2049 10.5410 10.5410 k = 0.0431 0.0431-0.0000 ( 5183 PWs) bands (ev): -4.0566 -4.0566 -2.3118 -2.3118 -1.9066 -1.9066 4.3962 4.3962 4.8128 4.8128 5.0441 5.0441 6.1140 6.1140 6.5152 6.5152 6.9196 6.9196 7.2005 7.2005 7.3115 7.3115 7.8669 7.8669 8.4563 8.4563 9.3290 9.3290 9.4064 9.4064 9.5771 9.5771 10.2423 10.2423 10.5218 10.5218 k = 0.0345 0.0345-0.0000 ( 5175 PWs) bands (ev): -4.0680 -4.0680 -2.3179 -2.3179 -1.9178 -1.9178 4.3866 4.3866 4.8862 4.8862 5.0851 5.0851 6.1311 6.1311 6.4915 6.4915 6.9663 6.9663 7.2073 7.2073 7.2559 7.2559 7.8875 7.8875 8.4721 8.4721 9.2720 9.2720 9.3881 9.3881 9.5735 9.5735 10.2800 10.2800 10.5074 10.5074 k = 0.0259 0.0259-0.0000 ( 5167 PWs) bands (ev): -4.0769 -4.0769 -2.3227 -2.3227 -1.9266 -1.9266 4.3789 4.3789 4.9477 4.9477 5.1200 5.1200 6.1378 6.1378 6.4765 6.4765 7.0037 7.0037 7.1532 7.1532 7.2712 7.2712 7.8994 7.8994 8.4876 8.4876 9.2265 9.2265 9.3714 9.3714 9.5706 9.5706 10.3158 10.3158 10.4971 10.4971 k = 0.0172 0.0172-0.0000 ( 5165 PWs) bands (ev): -4.0833 -4.0833 -2.3262 -2.3262 -1.9328 -1.9328 4.3734 4.3734 4.9944 4.9944 5.1468 5.1468 6.1377 6.1377 6.4687 6.4687 7.0285 7.0285 7.1084 7.1084 7.2903 7.2903 7.9052 7.9052 8.5004 8.5004 9.1932 9.1932 9.3581 9.3581 9.5683 9.5683 10.3462 10.3462 10.4902 10.4902 k = 0.0086 0.0086-0.0000 ( 5161 PWs) bands (ev): -4.0871 -4.0871 -2.3283 -2.3283 -1.9366 -1.9366 4.3700 4.3700 5.0237 5.0237 5.1637 5.1637 6.1352 6.1352 6.4655 6.4655 7.0365 7.0365 7.0874 7.0874 7.3028 7.3028 7.9076 7.9076 8.5088 8.5088 9.1729 9.1729 9.3495 9.3495 9.5669 9.5669 10.3671 10.3671 10.4862 10.4862 k = 0.0000 0.0000 0.0000 ( 5161 PWs) bands (ev): -4.0884 -4.0884 -2.3290 -2.3290 -1.9378 -1.9378 4.3689 4.3689 5.0337 5.0337 5.1695 5.1695 6.1339 6.1339 6.4647 6.4647 7.0353 7.0353 7.0841 7.0841 7.3071 7.3071 7.9082 7.9082 8.5117 8.5117 9.1661 9.1661 9.3466 9.3466 9.5664 9.5664 10.3746 10.3746 10.4849 10.4849 k = 0.0000 0.0000 0.0000 ( 5161 PWs) bands (ev): -4.0884 -4.0884 -2.3290 -2.3290 -1.9378 -1.9378 4.3689 4.3689 5.0337 5.0337 5.1695 5.1695 6.1339 6.1339 6.4647 6.4647 7.0353 7.0353 7.0841 7.0841 7.3071 7.3071 7.9082 7.9082 8.5117 8.5117 9.1661 9.1661 9.3466 9.3466 9.5664 9.5664 10.3746 10.3746 10.4849 10.4849 k = 0.0000 0.0000 0.0118 ( 5161 PWs) bands (ev): -4.0877 -4.0877 -2.3370 -2.3370 -1.9298 -1.9298 4.3550 4.3550 5.0338 5.0338 5.1865 5.1865 6.1344 6.1344 6.4654 6.4654 7.0343 7.0343 7.0826 7.0826 7.3059 7.3059 7.9088 7.9088 8.5129 8.5129 9.1683 9.1683 9.3443 9.3443 9.5627 9.5627 10.3748 10.3748 10.4847 10.4847 k = 0.0000 0.0000 0.0237 ( 5157 PWs) bands (ev): -4.0857 -4.0857 -2.3591 -2.3591 -1.9076 -1.9076 4.3165 4.3165 5.0342 5.0342 5.2343 5.2343 6.1358 6.1358 6.4675 6.4675 7.0315 7.0315 7.0781 7.0781 7.3025 7.3025 7.9105 7.9105 8.5164 8.5164 9.1749 9.1749 9.3362 9.3362 9.5532 9.5532 10.3753 10.3753 10.4841 10.4841 k = 0.0000 0.0000 0.0355 ( 5157 PWs) bands (ev): -4.0824 -4.0824 -2.3914 -2.3914 -1.8752 -1.8752 4.2607 4.2607 5.0348 5.0348 5.3057 5.3057 6.1383 6.1383 6.4710 6.4710 7.0270 7.0270 7.0707 7.0707 7.2971 7.2971 7.9131 7.9131 8.5221 8.5221 9.1857 9.1857 9.3181 9.3181 9.5426 9.5426 10.3762 10.3762 10.4832 10.4832 k = 0.0000 0.0000 0.0473 ( 5157 PWs) bands (ev): -4.0779 -4.0779 -2.4301 -2.4301 -1.8366 -1.8366 4.1945 4.1945 5.0356 5.0356 5.3934 5.3934 6.1419 6.1419 6.4759 6.4759 7.0208 7.0208 7.0605 7.0605 7.2897 7.2897 7.9166 7.9166 8.5298 8.5298 9.2004 9.2004 9.2847 9.2847 9.5369 9.5369 10.3775 10.3775 10.4818 10.4818 k = 0.0000 0.0000 0.0592 ( 5181 PWs) bands (ev): -4.0722 -4.0722 -2.4722 -2.4722 -1.7944 -1.7944 4.1231 4.1231 5.0367 5.0367 5.4922 5.4922 6.1469 6.1469 6.4821 6.4821 7.0132 7.0132 7.0479 7.0479 7.2806 7.2806 7.9205 7.9205 8.5393 8.5393 9.2185 9.2185 9.2333 9.2333 9.5401 9.5401 10.3791 10.3791 10.4801 10.4801 k = 0.0000 0.0000 0.0710 ( 5177 PWs) bands (ev): -4.0655 -4.0655 -2.5159 -2.5159 -1.7508 -1.7508 4.0500 4.0500 5.0379 5.0379 5.5980 5.5980 6.1540 6.1540 6.4896 6.4896 7.0044 7.0044 7.0329 7.0329 7.2703 7.2703 7.9244 7.9244 8.5501 8.5501 9.1650 9.1650 9.2397 9.2397 9.5522 9.5522 10.3810 10.3810 10.4781 10.4781 k = 0.0000 0.0000 0.0828 ( 5189 PWs) bands (ev): -4.0578 -4.0578 -2.5599 -2.5599 -1.7069 -1.7069 3.9775 3.9775 5.0393 5.0393 5.7074 5.7074 6.1641 6.1641 6.4985 6.4985 6.9948 6.9948 7.0160 7.0160 7.2589 7.2589 7.9280 7.9280 8.5621 8.5621 9.0828 9.0828 9.2634 9.2634 9.5717 9.5717 10.3833 10.3833 10.4757 10.4757 k = 0.0000 0.0000 0.0946 ( 5189 PWs) bands (ev): -4.0493 -4.0493 -2.6033 -2.6033 -1.6639 -1.6639 3.9072 3.9072 5.0408 5.0408 5.8165 5.8165 6.1798 6.1798 6.5086 6.5086 6.9845 6.9845 6.9974 6.9974 7.2468 7.2468 7.9305 7.9305 8.5749 8.5749 8.9899 8.9899 9.2889 9.2889 9.5968 9.5968 10.3859 10.3859 10.4731 10.4731 k = 0.0000 0.0000 0.1065 ( 5193 PWs) bands (ev): -4.0402 -4.0402 -2.6454 -2.6454 -1.6224 -1.6224 3.8402 3.8402 5.0423 5.0423 5.9185 5.9185 6.2067 6.2067 6.5199 6.5199 6.9739 6.9739 6.9774 6.9774 7.2345 7.2345 7.9311 7.9311 8.5880 8.5880 8.8894 8.8894 9.3155 9.3155 9.6260 9.6260 10.3887 10.3887 10.4701 10.4701 k = 0.0000 0.0000 0.1183 ( 5197 PWs) bands (ev): -4.0307 -4.0307 -2.6854 -2.6854 -1.5830 -1.5830 3.7774 3.7774 5.0439 5.0439 6.0017 6.0017 6.2556 6.2556 6.5322 6.5322 6.9563 6.9563 6.9632 6.9632 7.2222 7.2222 7.9286 7.9286 8.6011 8.6011 8.7840 8.7840 9.3426 9.3426 9.6580 9.6580 10.3919 10.3919 10.4669 10.4669 k = 0.0000 0.0000 0.1301 ( 5200 PWs) bands (ev): -4.0211 -4.0211 -2.7230 -2.7230 -1.5463 -1.5463 3.7196 3.7196 5.0454 5.0454 6.0559 6.0559 6.3360 6.3360 6.5456 6.5456 6.9345 6.9345 6.9528 6.9528 7.2102 7.2102 7.9213 7.9213 8.6139 8.6139 8.6770 8.6770 9.3694 9.3694 9.6917 9.6917 10.3953 10.3953 10.4634 10.4634 k = 0.0000 0.0000 0.1420 ( 5200 PWs) bands (ev): -4.0116 -4.0116 -2.7576 -2.7576 -1.5128 -1.5128 3.6672 3.6672 5.0469 5.0469 6.0861 6.0861 6.4423 6.4423 6.5598 6.5598 6.9124 6.9124 6.9428 6.9428 7.1990 7.1990 7.9066 7.9066 8.5722 8.5722 8.6260 8.6260 9.3952 9.3952 9.7260 9.7260 10.3989 10.3989 10.4597 10.4597 k = 0.0000 0.0000 0.1538 ( 5192 PWs) bands (ev): -4.0025 -4.0025 -2.7888 -2.7888 -1.4828 -1.4828 3.6209 3.6209 5.0483 5.0483 6.1034 6.1034 6.5628 6.5628 6.5746 6.5746 6.8903 6.8903 6.9337 6.9337 7.1886 7.1886 7.8805 7.8805 8.4744 8.4744 8.6371 8.6371 9.4194 9.4194 9.7597 9.7597 10.4027 10.4027 10.4558 10.4558 k = 0.0000 0.0000 0.1656 ( 5176 PWs) bands (ev): -3.9941 -3.9941 -2.8160 -2.8160 -1.4568 -1.4568 3.5809 3.5809 5.0496 5.0496 6.1143 6.1143 6.5898 6.5898 6.6905 6.6905 6.8687 6.8687 6.9255 6.9255 7.1795 7.1795 7.8381 7.8381 8.3895 8.3895 8.6470 8.6470 9.4412 9.4412 9.7914 9.7914 10.4067 10.4067 10.4517 10.4517 k = 0.0000 0.0000 0.1775 ( 5176 PWs) bands (ev): -3.9866 -3.9866 -2.8390 -2.8390 -1.4350 -1.4350 3.5477 3.5477 5.0507 5.0507 6.1216 6.1216 6.6048 6.6048 6.8218 6.8218 6.8483 6.8483 6.9185 6.9185 7.1717 7.1717 7.7752 7.7752 8.3228 8.3228 8.6554 8.6554 9.4600 9.4600 9.8199 9.8199 10.4108 10.4108 10.4475 10.4475 k = 0.0000 0.0000 0.1893 ( 5204 PWs) bands (ev): -3.9805 -3.9805 -2.8573 -2.8573 -1.4178 -1.4178 3.5216 3.5216 5.0516 5.0516 6.1266 6.1266 6.6189 6.6189 6.8298 6.8298 6.9128 6.9128 6.9548 6.9548 7.1655 7.1655 7.6909 7.6909 8.2758 8.2758 8.6622 8.6622 9.4752 9.4752 9.8438 9.8438 10.4150 10.4150 10.4433 10.4433 k = 0.0000 0.0000 0.2011 ( 5204 PWs) bands (ev): -3.9759 -3.9759 -2.8707 -2.8707 -1.4054 -1.4054 3.5027 3.5027 5.0522 5.0522 6.1300 6.1300 6.6310 6.6310 6.8145 6.8145 6.9087 6.9087 7.0879 7.0879 7.1609 7.1609 7.5885 7.5885 8.2465 8.2465 8.6672 8.6672 9.4864 9.4864 9.8619 9.8619 10.4191 10.4191 10.4392 10.4392 k = 0.0000 0.0000 0.2130 ( 5196 PWs) bands (ev): -3.9731 -3.9731 -2.8788 -2.8788 -1.3978 -1.3978 3.4914 3.4914 5.0526 5.0526 6.1319 6.1319 6.6395 6.6395 6.8041 6.8041 6.9062 6.9062 7.1582 7.1582 7.2198 7.2198 7.4733 7.4733 8.2308 8.2308 8.6702 8.6702 9.4933 9.4933 9.8732 9.8732 10.4228 10.4228 10.4354 10.4354 k = 0.0000 0.0000 0.2248 ( 5204 PWs) bands (ev): -3.9721 -3.9721 -2.8815 -2.8815 -1.3953 -1.3953 3.4875 3.4875 5.0527 5.0527 6.1325 6.1325 6.6426 6.6426 6.8003 6.8003 6.9053 6.9053 7.1573 7.1573 7.3409 7.3409 7.3574 7.3574 8.2259 8.2259 8.6712 8.6712 9.4956 9.4956 9.8771 9.8771 10.4248 10.4248 10.4334 10.4334 k = 0.0000 0.0000 0.2248 ( 5204 PWs) bands (ev): -3.9721 -3.9721 -2.8815 -2.8815 -1.3953 -1.3953 3.4875 3.4875 5.0527 5.0527 6.1325 6.1325 6.6426 6.6426 6.8003 6.8003 6.9053 6.9053 7.1573 7.1573 7.3409 7.3409 7.3574 7.3574 8.2259 8.2259 8.6712 8.6712 9.4956 9.4956 9.8771 9.8771 10.4248 10.4248 10.4334 10.4334 k = 0.0000 0.0122 0.2248 ( 5200 PWs) bands (ev): -3.9709 -3.9709 -2.8802 -2.8802 -1.3947 -1.3947 3.4889 3.4889 5.0424 5.0424 6.1253 6.1253 6.6304 6.6304 6.8037 6.8037 6.9082 6.9082 7.1647 7.1647 7.3200 7.3200 7.3841 7.3841 8.2250 8.2250 8.6660 8.6660 9.5039 9.5039 9.8749 9.8749 10.4185 10.4185 10.4394 10.4394 k = 0.0000 0.0244 0.2248 ( 5196 PWs) bands (ev): -3.9673 -3.9673 -2.8764 -2.8764 -1.3931 -1.3931 3.4929 3.4929 5.0121 5.0121 6.1033 6.1033 6.5992 6.5992 6.8131 6.8131 6.9170 6.9170 7.1825 7.1825 7.2942 7.2942 7.4273 7.4273 8.2228 8.2228 8.6512 8.6512 9.5280 9.5280 9.8683 9.8683 10.4018 10.4018 10.4558 10.4558 k = 0.0000 0.0366 0.2248 ( 5196 PWs) bands (ev): -3.9613 -3.9613 -2.8702 -2.8702 -1.3902 -1.3902 3.4996 3.4996 4.9630 4.9630 6.0648 6.0648 6.5595 6.5595 6.8269 6.8269 6.9316 6.9316 7.2014 7.2014 7.2677 7.2677 7.4824 7.4824 8.2202 8.2202 8.6286 8.6286 9.5661 9.5661 9.8576 9.8576 10.3765 10.3765 10.4822 10.4822 k = 0.0000 0.0488 0.2248 ( 5192 PWs) bands (ev): -3.9529 -3.9529 -2.8614 -2.8614 -1.3863 -1.3863 3.5089 3.5089 4.8973 4.8973 6.0090 6.0090 6.5207 6.5207 6.8434 6.8434 6.9517 6.9517 7.2083 7.2083 7.2472 7.2472 7.5472 7.5472 8.2184 8.2184 8.6009 8.6009 9.6160 9.6160 9.8428 9.8428 10.3450 10.3450 10.5180 10.5180 k = 0.0000 0.0610 0.2248 ( 5188 PWs) bands (ev): -3.9422 -3.9422 -2.8502 -2.8502 -1.3813 -1.3813 3.5207 3.5207 4.8172 4.8172 5.9365 5.9365 6.4877 6.4877 6.8613 6.8613 6.9749 6.9749 7.1839 7.1839 7.2512 7.2512 7.6170 7.6170 8.2188 8.2188 8.5710 8.5710 9.6751 9.6751 9.8245 9.8245 10.3093 10.3093 10.5620 10.5620 k = 0.0000 0.0732 0.2248 ( 5190 PWs) bands (ev): -3.9290 -3.9290 -2.8365 -2.8365 -1.3752 -1.3752 3.5348 3.5348 4.7250 4.7250 5.8499 5.8499 6.4616 6.4616 6.8799 6.8799 6.9951 6.9951 7.1494 7.1494 7.2636 7.2636 7.6865 7.6865 8.2229 8.2229 8.5423 8.5423 9.7390 9.7390 9.8054 9.8054 10.2713 10.2713 10.6131 10.6131 k = 0.0000 0.0854 0.2248 ( 5182 PWs) bands (ev): -3.9136 -3.9136 -2.8205 -2.8205 -1.3681 -1.3681 3.5510 3.5510 4.6230 4.6230 5.7527 5.7527 6.4414 6.4414 6.8986 6.8986 6.9951 6.9951 7.1295 7.1295 7.2764 7.2764 7.7503 7.7503 8.2319 8.2319 8.5182 8.5182 9.7655 9.7655 9.8262 9.8262 10.2323 10.2323 10.6699 10.6699 k = 0.0000 0.0976 0.2248 ( 5186 PWs) bands (ev): -3.8958 -3.8958 -2.8021 -2.8021 -1.3599 -1.3599 3.5687 3.5687 4.5135 4.5135 5.6479 5.6479 6.4253 6.4253 6.9123 6.9123 6.9637 6.9637 7.1410 7.1410 7.2887 7.2887 7.8027 7.8027 8.2479 8.2479 8.5024 8.5024 9.7408 9.7408 9.8997 9.8997 10.1933 10.1933 10.7305 10.7305 k = 0.0000 0.1098 0.2248 ( 5194 PWs) bands (ev): -3.8757 -3.8757 -2.7816 -2.7816 -1.3507 -1.3507 3.5874 3.5874 4.3986 4.3986 5.5383 5.5383 6.4120 6.4120 6.8788 6.8788 6.9558 6.9558 7.1713 7.1713 7.3005 7.3005 7.8379 7.8379 8.2731 8.2731 8.4977 8.4977 9.7098 9.7098 9.9802 9.9802 10.1554 10.1554 10.7900 10.7900 k = 0.0000 0.1220 0.2248 ( 5202 PWs) bands (ev): -3.8533 -3.8533 -2.7588 -2.7588 -1.3405 -1.3405 3.6056 3.6056 4.2811 4.2811 5.4259 5.4259 6.3999 6.3999 6.8058 6.8058 6.9763 6.9763 7.2082 7.2082 7.3117 7.3117 7.8528 7.8528 8.3087 8.3087 8.5058 8.5058 9.6762 9.6762 10.0620 10.0620 10.1207 10.1207 10.8284 10.8284 k = 0.0000 0.1341 0.2248 ( 5198 PWs) bands (ev): -3.8287 -3.8287 -2.7340 -2.7340 -1.3294 -1.3294 3.6205 3.6205 4.1649 4.1649 5.3120 5.3120 6.3875 6.3875 6.7229 6.7229 7.0012 7.0012 7.2470 7.2470 7.3225 7.3225 7.8483 7.8483 8.3534 8.3534 8.5269 8.5269 9.6409 9.6409 10.0790 10.0790 10.1546 10.1546 10.8239 10.8239 k = 0.0000 0.1463 0.2248 ( 5196 PWs) bands (ev): -3.8019 -3.8019 -2.7072 -2.7072 -1.3173 -1.3173 3.6256 3.6256 4.0571 4.0571 5.1981 5.1981 6.3726 6.3726 6.6362 6.6362 7.0279 7.0279 7.2843 7.2843 7.3342 7.3342 7.8290 7.8290 8.4036 8.4036 8.5598 8.5598 9.6048 9.6048 10.0473 10.0473 10.2404 10.2404 10.8029 10.8029 k = 0.0000 0.1585 0.2248 ( 5192 PWs) bands (ev): -3.7730 -3.7730 -2.6786 -2.6786 -1.3042 -1.3042 3.6076 3.6076 3.9718 3.9718 5.0850 5.0850 6.3503 6.3503 6.5524 6.5524 7.0554 7.0554 7.3132 7.3132 7.3529 7.3529 7.7998 7.7998 8.4559 8.4559 8.6027 8.6027 9.5688 9.5688 10.0165 10.0165 10.3282 10.3282 10.7778 10.7778 k = 0.0000 0.1707 0.2248 ( 5186 PWs) bands (ev): -3.7419 -3.7419 -2.6484 -2.6484 -1.2902 -1.2902 3.5502 3.5502 3.9259 3.9259 4.9736 4.9736 6.3096 6.3096 6.4832 6.4832 7.0825 7.0825 7.3267 7.3267 7.3850 7.3850 7.7655 7.7655 8.5082 8.5082 8.6528 8.6528 9.5339 9.5339 9.9879 9.9879 10.4164 10.4164 10.7519 10.7519 k = 0.0000 0.1829 0.2248 ( 5178 PWs) bands (ev): -3.7088 -3.7088 -2.6167 -2.6167 -1.2753 -1.2753 3.4538 3.4538 3.9194 3.9194 4.8648 4.8648 6.2401 6.2401 6.4399 6.4399 7.1078 7.1078 7.3319 7.3319 7.4232 7.4232 7.7294 7.7294 8.5602 8.5602 8.7070 8.7070 9.5014 9.5014 9.9618 9.9618 10.5041 10.5041 10.7267 10.7267 k = 0.0000 0.1951 0.2248 ( 5180 PWs) bands (ev): -3.6737 -3.6737 -2.5837 -2.5837 -1.2593 -1.2593 3.3341 3.3341 3.9367 3.9367 4.7594 4.7594 6.1481 6.1481 6.4168 6.4168 7.1288 7.1288 7.3344 7.3344 7.4628 7.4628 7.6946 7.6946 8.6120 8.6120 8.7622 8.7622 9.4730 9.4730 9.9382 9.9382 10.5903 10.5903 10.7043 10.7043 k = 0.0000 0.2073 0.2248 ( 5172 PWs) bands (ev): -3.6366 -3.6366 -2.5498 -2.5498 -1.2423 -1.2423 3.2028 3.2028 3.9659 3.9659 4.6586 4.6586 6.0450 6.0450 6.4032 6.4032 7.1419 7.1419 7.3369 7.3369 7.5023 7.5023 7.6636 7.6636 8.6635 8.6635 8.8156 8.8156 9.4506 9.4506 9.9170 9.9170 10.6603 10.6603 10.6996 10.6996 k = 0.0000 0.2195 0.2248 ( 5166 PWs) bands (ev): -3.5976 -3.5976 -2.5151 -2.5151 -1.2241 -1.2241 3.0656 3.0656 4.0007 4.0007 4.5636 4.5636 5.9366 5.9366 6.3938 6.3938 7.1437 7.1437 7.3407 7.3407 7.5414 7.5414 7.6394 7.6394 8.7138 8.7138 8.8652 8.8652 9.4367 9.4367 9.8983 9.8983 10.6574 10.6574 10.7704 10.7704 k = 0.0000 0.2317 0.2248 ( 5174 PWs) bands (ev): -3.5568 -3.5568 -2.4800 -2.4800 -1.2047 -1.2047 2.9252 2.9252 4.0366 4.0366 4.4772 4.4772 5.8255 5.8255 6.3866 6.3866 7.1327 7.1327 7.3442 7.3442 7.5797 7.5797 7.6254 7.6254 8.7607 8.7607 8.9105 8.9105 9.4337 9.4337 9.8819 9.8819 10.6452 10.6452 10.8536 10.8536 k = 0.0000 0.2439 0.2248 ( 5174 PWs) bands (ev): -3.5143 -3.5143 -2.4449 -2.4449 -1.1838 -1.1838 2.7832 2.7832 4.0672 4.0672 4.4047 4.4047 5.7130 5.7130 6.3807 6.3807 7.1102 7.1102 7.3426 7.3426 7.6156 7.6156 7.6265 7.6265 8.7997 8.7997 8.9539 8.9539 9.4437 9.4437 9.8676 9.8676 10.6372 10.6372 10.9364 10.9364 k = 0.0000 0.2561 0.2248 ( 5166 PWs) bands (ev): -3.4702 -3.4702 -2.4102 -2.4102 -1.1612 -1.1612 2.6405 2.6405 4.0814 4.0814 4.3571 4.3571 5.6000 5.6000 6.3757 6.3757 7.0788 7.0788 7.3313 7.3313 7.6382 7.6382 7.6556 7.6556 8.8251 8.8251 9.0005 9.0005 9.4671 9.4671 9.8550 9.8550 10.6348 10.6348 11.0180 11.0180 k = 0.0000 0.2683 0.2248 ( 5170 PWs) bands (ev): -3.4245 -3.4245 -2.3765 -2.3765 -1.1367 -1.1367 2.4975 2.4975 4.0658 4.0658 4.3476 4.3476 5.4871 5.4871 6.3714 6.3714 7.0411 7.0411 7.3090 7.3090 7.6681 7.6681 7.6909 7.6909 8.8343 8.8343 9.0543 9.0543 9.5025 9.5025 9.8439 9.8439 10.6389 10.6389 11.0980 11.0980 k = 0.0000 0.2805 0.2248 ( 5170 PWs) bands (ev): -3.3773 -3.3773 -2.3441 -2.3441 -1.1100 -1.1100 2.3549 2.3549 4.0237 4.0237 4.3732 4.3732 5.3748 5.3748 6.3678 6.3678 6.9990 6.9990 7.2770 7.2770 7.7090 7.7090 7.7256 7.7256 8.8291 8.8291 9.1157 9.1157 9.5473 9.5473 9.8337 9.8337 10.6500 10.6500 11.1759 11.1759 k = 0.0000 0.2927 0.2248 ( 5170 PWs) bands (ev): -3.3287 -3.3287 -2.3138 -2.3138 -1.0806 -1.0806 2.2128 2.2128 3.9698 3.9698 4.4189 4.4189 5.2636 5.2636 6.3648 6.3648 6.9538 6.9538 7.2372 7.2372 7.7570 7.7570 7.7602 7.7602 8.8137 8.8137 9.1830 9.1830 9.5991 9.5991 9.8240 9.8240 10.6684 10.6684 11.2496 11.2496 k = 0.0000 0.3049 0.2248 ( 5166 PWs) bands (ev): -3.2790 -3.2790 -2.2860 -2.2860 -1.0482 -1.0482 2.0716 2.0716 3.9140 3.9140 4.4752 4.4752 5.1538 5.1538 6.3625 6.3625 6.9063 6.9063 7.1911 7.1911 7.7914 7.7914 7.8137 7.8137 8.7912 8.7912 9.2548 9.2548 9.6554 9.6554 9.8142 9.8142 10.6942 10.6942 11.2896 11.2896 k = 0.0000 0.3171 0.2248 ( 5160 PWs) bands (ev): -3.2280 -3.2280 -2.2614 -2.2614 -1.0124 -1.0124 1.9315 1.9315 3.8606 3.8606 4.5378 4.5378 5.0458 5.0458 6.3609 6.3609 6.8571 6.8571 7.1402 7.1402 7.8230 7.8230 7.8736 7.8736 8.7642 8.7642 9.3302 9.3302 9.7140 9.7140 9.8040 9.8040 10.7274 10.7274 11.2600 11.2600 k = 0.0000 0.3293 0.2248 ( 5156 PWs) bands (ev): -3.1762 -3.1762 -2.2406 -2.2406 -0.9728 -0.9728 1.7927 1.7927 3.8117 3.8117 4.6046 4.6046 4.9401 4.9401 6.3601 6.3601 6.8062 6.8062 7.0855 7.0855 7.8536 7.8536 7.9374 7.9374 8.7341 8.7341 9.4085 9.4085 9.7667 9.7667 9.7996 9.7996 10.7678 10.7678 11.2219 11.2219 k = 0.0000 0.3415 0.2248 ( 5156 PWs) bands (ev): -3.1234 -3.1234 -2.2240 -2.2240 -0.9289 -0.9289 1.6554 1.6554 3.7684 3.7684 4.6739 4.6739 4.8377 4.8377 6.3602 6.3602 6.7535 6.7535 7.0282 7.0282 7.8833 7.8833 8.0044 8.0044 8.7021 8.7021 9.4891 9.4891 9.7677 9.7677 9.8447 9.8447 10.8148 10.8148 11.1843 11.1843 k = 0.0000 0.3537 0.2248 ( 5164 PWs) bands (ev): -3.0700 -3.0700 -2.2121 -2.2121 -0.8805 -0.8805 1.5197 1.5197 3.7312 3.7312 4.7193 4.7193 4.7648 4.7648 6.3613 6.3613 6.6985 6.6985 6.9698 6.9698 7.9123 7.9123 8.0739 8.0739 8.6690 8.6690 9.5713 9.5713 9.7490 9.7490 9.9057 9.9057 10.8681 10.8681 11.1497 11.1497 k = 0.0000 0.3659 0.2248 ( 5166 PWs) bands (ev): -3.0160 -3.0160 -2.2051 -2.2051 -0.8274 -0.8274 1.3857 1.3857 3.7006 3.7006 4.6331 4.6331 4.8287 4.8287 6.3634 6.3634 6.6406 6.6406 6.9116 6.9116 7.9405 7.9405 8.1453 8.1453 8.6356 8.6356 9.6542 9.6542 9.7245 9.7245 9.9673 9.9673 10.9269 10.9269 11.1197 11.1197 k = 0.0000 0.3780 0.2248 ( 5174 PWs) bands (ev): -2.9618 -2.9618 -2.2034 -2.2034 -0.7694 -0.7694 1.2537 1.2537 3.6768 3.6768 4.5391 4.5391 4.9059 4.9059 6.3667 6.3667 6.5790 6.5790 6.8551 6.8551 7.9683 7.9683 8.2178 8.2178 8.6030 8.6030 9.6912 9.6912 9.7402 9.7402 10.0280 10.0280 10.9904 10.9904 11.0959 11.0959 k = 0.0000 0.3902 0.2248 ( 5176 PWs) bands (ev): -2.9073 -2.9073 -2.2070 -2.2070 -0.7063 -0.7063 1.1238 1.1238 3.6600 3.6600 4.4477 4.4477 4.9859 4.9859 6.3712 6.3712 6.5132 6.5132 6.8015 6.8015 7.9957 7.9957 8.2899 8.2899 8.5727 8.5727 9.6544 9.6544 9.8227 9.8227 10.0867 10.0867 11.0560 11.0560 11.0811 11.0811 k = 0.0000 0.4024 0.2248 ( 5162 PWs) bands (ev): -2.8529 -2.8529 -2.2159 -2.2159 -0.6383 -0.6383 0.9960 0.9960 3.6502 3.6502 4.3599 4.3599 5.0679 5.0679 6.3769 6.3769 6.4429 6.4429 6.7516 6.7516 8.0229 8.0229 8.3571 8.3571 8.5491 8.5491 9.6100 9.6100 9.9047 9.9047 10.1426 10.1426 11.0680 11.0680 11.1310 11.1310 k = 0.0000 0.4146 0.2248 ( 5170 PWs) bands (ev): -2.7988 -2.7988 -2.2299 -2.2299 -0.5654 -0.5654 0.8705 0.8705 3.6474 3.6474 4.2759 4.2759 5.1516 5.1516 6.3669 6.3669 6.3854 6.3854 6.7059 6.7059 8.0499 8.0499 8.4046 8.4046 8.5471 8.5471 9.5589 9.5589 9.9843 9.9843 10.1947 10.1947 11.0673 11.0673 11.2041 11.2041 k = 0.0000 0.4268 0.2248 ( 5174 PWs) bands (ev): -2.7452 -2.7452 -2.2489 -2.2489 -0.4878 -0.4878 0.7475 0.7475 3.6517 3.6517 4.1960 4.1960 5.2368 5.2368 6.2888 6.2888 6.3936 6.3936 6.6642 6.6642 8.0769 8.0769 8.4114 8.4114 8.5876 8.5876 9.5013 9.5013 10.0603 10.0603 10.2421 10.2421 11.0743 11.0743 11.2790 11.2790 k = 0.0000 0.4390 0.2248 ( 5170 PWs) bands (ev): -2.6924 -2.6924 -2.2726 -2.2726 -0.4055 -0.4055 0.6270 0.6270 3.6629 3.6629 4.1205 4.1205 5.3233 5.3233 6.2067 6.2067 6.4040 6.4040 6.6265 6.6265 8.1041 8.1041 8.3922 8.3922 8.6556 8.6556 9.4379 9.4379 10.1310 10.1310 10.2834 10.2834 11.0887 11.0887 11.3546 11.3546 k = 0.0000 0.4512 0.2248 ( 5170 PWs) bands (ev): -2.6406 -2.6406 -2.3006 -2.3006 -0.3189 -0.3189 0.5092 0.5092 3.6810 3.6810 4.0498 4.0498 5.4110 5.4110 6.1220 6.1220 6.4163 6.4163 6.5923 6.5923 8.1316 8.1316 8.3649 8.3649 8.7331 8.7331 9.3694 9.3694 10.1950 10.1950 10.3173 10.3173 11.1101 11.1101 11.4292 11.4292 k = 0.0000 0.4634 0.2248 ( 5170 PWs) bands (ev): -2.5901 -2.5901 -2.3327 -2.3327 -0.2280 -0.2280 0.3942 0.3942 3.7057 3.7057 3.9839 3.9839 5.4995 5.4995 6.0352 6.0352 6.4305 6.4305 6.5613 6.5613 8.1594 8.1594 8.3354 8.3354 8.8140 8.8140 9.2967 9.2967 10.2505 10.2505 10.3423 10.3423 11.1378 11.1378 11.3906 11.3906 k = 0.0000 0.4756 0.2248 ( 5174 PWs) bands (ev): -2.5412 -2.5412 -2.3685 -2.3685 -0.1332 -0.1332 0.2822 0.2822 3.7370 3.7370 3.9232 3.9232 5.5887 5.5887 5.9470 5.9470 6.4466 6.4466 6.5333 6.5333 8.1876 8.1876 8.3053 8.3053 8.8962 8.8962 9.2205 9.2205 10.2959 10.2959 10.3572 10.3572 11.1710 11.1710 11.3420 11.3420 k = 0.0000 0.4878 0.2248 ( 5178 PWs) bands (ev): -2.4943 -2.4943 -2.4076 -2.4076 -0.0346 -0.0346 0.1733 0.1733 3.7746 3.7746 3.8679 3.8679 5.6784 5.6784 5.8579 5.8579 6.4648 6.4648 6.5080 6.5080 8.2163 8.2163 8.2752 8.2752 8.9788 8.9788 9.1416 9.1416 10.3299 10.3299 10.3605 10.3605 11.2088 11.2088 11.2950 11.2950 k = 0.0000 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4496 -2.4496 -2.4496 -2.4496 0.0676 0.0676 0.0676 0.0676 3.8183 3.8183 3.8183 3.8183 5.7682 5.7682 5.7682 5.7682 6.4852 6.4852 6.4852 6.4852 8.2455 8.2455 8.2455 8.2455 9.0608 9.0608 9.0608 9.0608 10.3515 10.3515 10.3515 10.3515 11.2504 11.2504 11.2504 11.2504 k = 0.0000 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4496 -2.4496 -2.4496 -2.4496 0.0676 0.0676 0.0676 0.0676 3.8183 3.8183 3.8183 3.8183 5.7682 5.7682 5.7682 5.7682 6.4852 6.4852 6.4852 6.4852 8.2455 8.2455 8.2455 8.2455 9.0608 9.0608 9.0608 9.0608 10.3515 10.3515 10.3515 10.3515 11.2504 11.2504 11.2504 11.2504 k = 0.0122 0.5000 0.2248 ( 5164 PWs) bands (ev): -2.4491 -2.4491 -2.4491 -2.4491 0.0686 0.0686 0.0692 0.0692 3.8174 3.8174 3.8200 3.8200 5.7549 5.7549 5.7800 5.7800 6.4655 6.4655 6.5027 6.5027 8.2330 8.2330 8.2484 8.2484 9.0375 9.0375 9.0639 9.0639 10.3481 10.3481 10.3675 10.3675 11.2412 11.2412 11.2413 11.2413 k = 0.0244 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4476 -2.4476 -2.4475 -2.4475 0.0723 0.0723 0.0734 0.0734 3.8173 3.8173 3.8226 3.8226 5.7403 5.7403 5.7901 5.7901 6.4437 6.4437 6.5178 6.5178 8.2108 8.2108 8.2413 8.2413 8.9957 8.9957 9.0470 9.0470 10.3565 10.3565 10.3942 10.3942 11.2151 11.2151 11.2178 11.2178 k = 0.0366 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4450 -2.4450 -2.4448 -2.4448 0.0785 0.0785 0.0802 0.0802 3.8179 3.8179 3.8260 3.8260 5.7246 5.7246 5.7983 5.7983 6.4202 6.4202 6.5304 6.5304 8.1788 8.1788 8.2241 8.2241 8.9386 8.9386 9.0125 9.0125 10.3735 10.3735 10.4280 10.4280 11.1784 11.1784 11.1872 11.1872 k = 0.0488 0.5000 0.2248 ( 5176 PWs) bands (ev): -2.4414 -2.4414 -2.4412 -2.4412 0.0873 0.0873 0.0896 0.0896 3.8191 3.8191 3.8301 3.8301 5.7080 5.7080 5.8045 5.8045 6.3953 6.3953 6.5406 6.5406 8.1367 8.1367 8.1959 8.1959 8.8703 8.8703 8.9637 8.9637 10.3946 10.3946 10.4636 10.4636 11.1395 11.1395 11.1572 11.1572 k = 0.0610 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4368 -2.4368 -2.4365 -2.4365 0.0988 0.0988 0.1015 0.1015 3.8207 3.8207 3.8349 3.8349 5.6906 5.6906 5.8083 5.8083 6.3694 6.3694 6.5483 6.5483 8.0843 8.0843 8.1560 8.1560 8.7947 8.7947 8.9043 8.9043 10.4146 10.4146 10.4953 10.4953 11.1069 11.1069 11.1346 11.1346 k = 0.0732 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4311 -2.4311 -2.4308 -2.4308 0.1127 0.1127 0.1160 0.1160 3.8226 3.8226 3.8402 3.8402 5.6727 5.6727 5.8097 5.8097 6.3429 6.3429 6.5536 6.5536 8.0215 8.0215 8.1036 8.1036 8.7154 8.7154 8.8378 8.8378 10.4293 10.4293 10.5177 10.5177 11.0878 11.0878 11.1239 11.1239 k = 0.0854 0.5000 0.2248 ( 5164 PWs) bands (ev): -2.4245 -2.4245 -2.4242 -2.4242 0.1293 0.1293 0.1331 0.1331 3.8246 3.8246 3.8459 3.8459 5.6545 5.6545 5.8083 5.8083 6.3164 6.3164 6.5565 6.5565 7.9486 7.9486 8.0382 8.0382 8.6356 8.6356 8.7668 8.7668 10.4366 10.4366 10.5274 10.5274 11.0862 11.0862 11.1274 11.1274 k = 0.0976 0.5000 0.2248 ( 5160 PWs) bands (ev): -2.4170 -2.4170 -2.4166 -2.4166 0.1483 0.1483 0.1527 0.1527 3.8265 3.8265 3.8518 3.8518 5.6364 5.6364 5.8040 5.8040 6.2903 6.2903 6.5571 6.5571 7.8662 7.8662 7.9598 7.9598 8.5572 8.5572 8.6935 8.6935 10.4367 10.4367 10.5248 10.5248 11.1021 11.1021 11.1444 11.1444 k = 0.1098 0.5000 0.2248 ( 5152 PWs) bands (ev): -2.4085 -2.4085 -2.4080 -2.4080 0.1699 0.1699 0.1747 0.1747 3.8280 3.8280 3.8577 3.8577 5.6185 5.6185 5.7966 5.7966 6.2651 6.2651 6.5553 6.5553 7.7751 7.7751 7.8693 7.8693 8.4813 8.4813 8.6192 8.6192 10.4317 10.4317 10.5136 10.5136 11.1316 11.1316 11.1720 11.1720 k = 0.1220 0.5000 0.2248 ( 5160 PWs) bands (ev): -2.3992 -2.3992 -2.3986 -2.3986 0.1939 0.1939 0.1992 0.1992 3.8288 3.8288 3.8633 3.8633 5.6012 5.6012 5.7860 5.7860 6.2409 6.2409 6.5511 6.5511 7.6768 7.6768 7.7687 7.7687 8.4080 8.4080 8.5448 8.5448 10.4245 10.4245 10.4985 10.4985 11.1699 11.1699 11.2071 11.2071 k = 0.1341 0.5000 0.2248 ( 5160 PWs) bands (ev): -2.3890 -2.3890 -2.3884 -2.3884 0.2204 0.2204 0.2262 0.2262 3.8286 3.8286 3.8683 3.8683 5.5848 5.5848 5.7726 5.7726 6.2177 6.2177 6.5442 6.5442 7.5727 7.5727 7.6601 7.6601 8.3370 8.3370 8.4708 8.4708 10.4174 10.4174 10.4833 10.4833 11.2128 11.2128 11.2465 11.2465 k = 0.1463 0.5000 0.2248 ( 5168 PWs) bands (ev): -2.3781 -2.3781 -2.3774 -2.3774 0.2492 0.2492 0.2555 0.2555 3.8272 3.8272 3.8726 3.8726 5.5696 5.5696 5.7564 5.7564 6.1954 6.1954 6.5343 6.5343 7.4647 7.4647 7.5463 7.5463 8.2677 8.2677 8.3974 8.3974 10.4125 10.4125 10.4707 10.4707 11.2572 11.2572 11.2878 11.2878 k = 0.1585 0.5000 0.2248 ( 5176 PWs) bands (ev): -2.3663 -2.3663 -2.3656 -2.3656 0.2804 0.2804 0.2871 0.2871 3.8244 3.8244 3.8757 3.8757 5.5557 5.5557 5.7379 5.7379 6.1730 6.1730 6.5206 6.5206 7.3548 7.3548 7.4300 7.4300 8.1996 8.1996 8.3249 8.3249 10.4108 10.4108 10.4620 10.4620 11.3014 11.3014 11.3293 11.3293 k = 0.1707 0.5000 0.2248 ( 5176 PWs) bands (ev): -2.3539 -2.3539 -2.3531 -2.3531 0.3139 0.3139 0.3210 0.3210 3.8199 3.8199 3.8775 3.8775 5.5434 5.5434 5.7178 5.7178 6.1497 6.1497 6.5021 6.5021 7.2453 7.2453 7.3143 7.3143 8.1324 8.1324 8.2533 8.2533 10.4131 10.4131 10.4582 10.4582 11.3442 11.3442 11.3701 11.3701 k = 0.1829 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.3409 -2.3409 -2.3401 -2.3401 0.3496 0.3496 0.3570 0.3570 3.8135 3.8135 3.8775 3.8775 5.5328 5.5328 5.6965 5.6965 6.1239 6.1239 6.4770 6.4770 7.1387 7.1387 7.2025 7.2025 8.0660 8.0660 8.1828 8.1828 10.4198 10.4198 10.4595 10.4595 11.3850 11.3850 11.4093 11.4093 k = 0.1951 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.3273 -2.3273 -2.3264 -2.3264 0.3874 0.3874 0.3952 0.3952 3.8050 3.8050 3.8757 3.8757 5.5237 5.5237 5.6745 5.6745 6.0937 6.0937 6.4428 6.4428 7.0378 7.0378 7.0984 7.0984 8.0005 8.0005 8.1137 8.1137 10.4308 10.4308 10.4658 10.4658 11.4236 11.4236 11.4467 11.4467 k = 0.2073 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.3132 -2.3132 -2.3122 -2.3122 0.4273 0.4273 0.4355 0.4355 3.7945 3.7945 3.8717 3.8717 5.5160 5.5160 5.6520 5.6520 6.0574 6.0574 6.3969 6.3969 6.9455 6.9455 7.0064 7.0064 7.9361 7.9361 8.0460 8.0460 10.4460 10.4460 10.4771 10.4771 11.4597 11.4597 11.4820 11.4820 k = 0.2195 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.2986 -2.2986 -2.2976 -2.2976 0.4692 0.4692 0.4776 0.4776 3.7818 3.7818 3.8654 3.8654 5.5091 5.5091 5.6289 5.6289 6.0132 6.0132 6.3371 6.3371 6.8646 6.8646 6.9297 6.9297 7.8731 7.8731 7.9800 7.9800 10.4652 10.4652 10.4928 10.4928 11.4933 11.4933 11.5151 11.5151 k = 0.2317 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.2837 -2.2837 -2.2826 -2.2826 0.5129 0.5129 0.5216 0.5216 3.7671 3.7671 3.8569 3.8569 5.5021 5.5021 5.6043 5.6043 5.9607 5.9607 6.2637 6.2637 6.7973 6.7973 6.8700 6.8700 7.8118 7.8118 7.9160 7.9160 10.4880 10.4880 10.5127 10.5127 11.5242 11.5242 11.5458 11.5458 k = 0.2439 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.2685 -2.2685 -2.2674 -2.2674 0.5584 0.5584 0.5673 0.5673 3.7505 3.7505 3.8460 3.8460 5.4934 5.4934 5.5763 5.5763 5.9016 5.9016 6.1798 6.1798 6.7444 6.7444 6.8257 6.8257 7.7527 7.7527 7.8542 7.8542 10.5142 10.5142 10.5363 10.5363 11.5522 11.5522 11.5739 11.5739 k = 0.2561 0.5000 0.2248 ( 5192 PWs) bands (ev): -2.2532 -2.2532 -2.2520 -2.2520 0.6055 0.6055 0.6146 0.6146 3.7322 3.7322 3.8329 3.8329 5.4808 5.4808 5.5409 5.5409 5.8409 5.8409 6.0912 6.0912 6.7055 6.7055 6.7939 6.7939 7.6961 7.6961 7.7949 7.7949 10.5432 10.5432 10.5631 10.5631 11.5771 11.5771 11.5989 11.5989 k = 0.2683 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.2377 -2.2377 -2.2364 -2.2364 0.6541 0.6541 0.6633 0.6633 3.7126 3.7126 3.8177 3.8177 5.4602 5.4602 5.4925 5.4925 5.7860 5.7860 6.0052 6.0052 6.6788 6.6788 6.7713 6.7713 7.6425 7.6425 7.7384 7.7384 10.5747 10.5747 10.5924 10.5924 11.5984 11.5984 11.6205 11.6205 k = 0.2805 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.2221 -2.2221 -2.2209 -2.2209 0.7039 0.7039 0.7132 0.7132 3.6919 3.6919 3.8008 3.8008 5.4266 5.4266 5.4268 5.4268 5.7440 5.7440 5.9294 5.9294 6.6621 6.6621 6.7551 6.7551 7.5924 7.5924 7.6850 7.6850 10.6080 10.6080 10.6238 10.6238 11.6160 11.6160 11.6382 11.6382 k = 0.2927 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.2067 -2.2067 -2.2054 -2.2054 0.7549 0.7549 0.7642 0.7642 3.6705 3.6705 3.7825 3.7825 5.3436 5.3436 5.3757 5.3757 5.7166 5.7166 5.8704 5.8704 6.6531 6.6531 6.7431 6.7431 7.5462 7.5462 7.6350 7.6350 10.6426 10.6426 10.6566 10.6566 11.6298 11.6298 11.6518 11.6518 k = 0.3049 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.1914 -2.1914 -2.1901 -2.1901 0.8067 0.8067 0.8160 0.8160 3.6489 3.6489 3.7632 3.7632 5.2481 5.2481 5.3056 5.3056 5.7010 5.7010 5.8310 5.8310 6.6497 6.6497 6.7338 6.7338 7.5045 7.5045 7.5889 7.5889 10.6779 10.6779 10.6901 10.6901 11.6402 11.6402 11.6615 11.6615 k = 0.3171 0.5000 0.2248 ( 5188 PWs) bands (ev): -2.1763 -2.1763 -2.1750 -2.1750 0.8591 0.8591 0.8683 0.8683 3.6275 3.6275 3.7434 3.7434 5.1452 5.1452 5.2195 5.2195 5.6937 5.6937 5.8088 5.8088 6.6501 6.6501 6.7260 6.7260 7.4677 7.4677 7.5469 7.5469 10.7130 10.7130 10.7235 10.7235 11.6479 11.6479 11.6680 11.6680 k = 0.3293 0.5000 0.2248 ( 5196 PWs) bands (ev): -2.1617 -2.1617 -2.1604 -2.1604 0.9118 0.9118 0.9208 0.9208 3.6068 3.6068 3.7235 3.7235 5.0384 5.0384 5.1229 5.1229 5.6921 5.6921 5.7989 5.7989 6.6529 6.6529 6.7188 6.7188 7.4362 7.4362 7.5095 7.5095 10.7473 10.7473 10.7558 10.7558 11.6539 11.6539 11.6721 11.6721 k = 0.3415 0.5000 0.2248 ( 5192 PWs) bands (ev): -2.1474 -2.1474 -2.1462 -2.1462 0.9645 0.9645 0.9732 0.9732 3.5872 3.5872 3.7040 3.7040 4.9303 4.9303 5.0205 5.0205 5.6946 5.6946 5.7971 5.7971 6.6568 6.6568 6.7115 6.7115 7.4103 7.4103 7.4770 7.4770 10.7799 10.7799 10.7864 10.7864 11.6592 11.6592 11.6749 11.6749 k = 0.3537 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.1338 -2.1338 -2.1325 -2.1325 1.0167 1.0167 1.0251 1.0251 3.5692 3.5692 3.6855 3.6855 4.8226 4.8226 4.9157 4.9157 5.7001 5.7001 5.8000 5.8000 6.6607 6.6607 6.7036 6.7036 7.3902 7.3902 7.4496 7.4496 10.8097 10.8097 10.8141 10.8141 11.6646 11.6646 11.6776 11.6776 k = 0.3659 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.1208 -2.1208 -2.1195 -2.1195 1.0681 1.0681 1.0762 1.0762 3.5532 3.5532 3.6684 3.6684 4.7167 4.7167 4.8110 4.8110 5.7078 5.7078 5.8056 5.8056 6.6637 6.6637 6.6948 6.6948 7.3757 7.3757 7.4275 7.4275 10.8359 10.8359 10.8382 10.8382 11.6711 11.6711 11.6810 11.6810 k = 0.3780 0.5000 0.2248 ( 5164 PWs) bands (ev): -2.1085 -2.1085 -2.1073 -2.1073 1.1182 1.1182 1.1258 1.1258 3.5398 3.5398 3.6531 3.6531 4.6138 4.6138 4.7081 4.7081 5.7172 5.7172 5.8125 5.8125 6.6653 6.6653 6.6853 6.6853 7.3666 7.3666 7.4107 7.4107 10.8577 10.8577 10.8580 10.8580 11.6795 11.6795 11.6862 11.6862 k = 0.3902 0.5000 0.2248 ( 5160 PWs) bands (ev): -2.0971 -2.0971 -2.0960 -2.0960 1.1664 1.1664 1.1734 1.1734 3.5293 3.5293 3.6402 3.6402 4.5148 4.5148 4.6082 4.6082 5.7278 5.7278 5.8196 5.8196 6.6651 6.6651 6.6751 6.6751 7.3621 7.3621 7.3988 7.3988 10.8729 10.8729 10.8746 10.8746 11.6899 11.6899 11.6938 11.6938 k = 0.4024 0.5000 0.2248 ( 5156 PWs) bands (ev): -2.0866 -2.0866 -2.0856 -2.0856 1.2121 1.2121 1.2185 1.2185 3.5222 3.5222 3.6298 3.6298 4.4207 4.4207 4.5124 4.5124 5.7393 5.7393 5.8263 5.8263 6.6630 6.6630 6.6646 6.6646 7.3617 7.3617 7.3915 7.3915 10.8830 10.8830 10.8862 10.8862 11.7026 11.7026 11.7040 11.7040 k = 0.4146 0.5000 0.2248 ( 5156 PWs) bands (ev): -2.0771 -2.0771 -2.0762 -2.0762 1.2548 1.2548 1.2605 1.2605 3.5188 3.5188 3.6221 3.6221 4.3326 4.3326 4.4218 4.4218 5.7512 5.7512 5.8319 5.8319 6.6543 6.6543 6.6591 6.6591 7.3643 7.3643 7.3881 7.3881 10.8887 10.8887 10.8930 10.8930 11.7165 11.7165 11.7170 11.7170 k = 0.4268 0.5000 0.2248 ( 5164 PWs) bands (ev): -2.0687 -2.0687 -2.0679 -2.0679 1.2937 1.2937 1.2987 1.2987 3.5193 3.5193 3.6171 3.6171 4.2517 4.2517 4.3371 4.3371 5.7634 5.7634 5.8363 5.8363 6.6447 6.6447 6.6537 6.6537 7.3691 7.3691 7.3876 7.3876 10.8906 10.8906 10.8955 10.8955 11.7306 11.7306 11.7322 11.7322 k = 0.4390 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.0614 -2.0614 -2.0607 -2.0607 1.3281 1.3281 1.3324 1.3324 3.5239 3.5239 3.6142 3.6142 4.1796 4.1796 4.2594 4.2594 5.7754 5.7754 5.8390 5.8390 6.6362 6.6362 6.6475 6.6475 7.3751 7.3751 7.3891 7.3891 10.8897 10.8897 10.8947 10.8947 11.7451 11.7451 11.7473 11.7473 k = 0.4512 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.0554 -2.0554 -2.0548 -2.0548 1.3575 1.3575 1.3610 1.3610 3.5323 3.5323 3.6127 3.6127 4.1180 4.1180 4.1898 4.1898 5.7872 5.7872 5.8400 5.8400 6.6292 6.6292 6.6409 6.6409 7.3815 7.3815 7.3918 7.3918 10.8872 10.8872 10.8918 10.8918 11.7589 11.7589 11.7610 11.7610 k = 0.4634 0.5000 0.2248 ( 5176 PWs) bands (ev): -2.0506 -2.0506 -2.0502 -2.0502 1.3812 1.3812 1.3838 1.3838 3.5442 3.5442 3.6110 3.6110 4.0694 4.0694 4.1296 4.1296 5.7983 5.7983 5.8391 5.8391 6.6242 6.6242 6.6345 6.6345 7.3875 7.3875 7.3946 7.3946 10.8842 10.8842 10.8880 10.8880 11.7708 11.7708 11.7725 11.7725 k = 0.4756 0.5000 0.2248 ( 5176 PWs) bands (ev): -2.0472 -2.0472 -2.0469 -2.0469 1.3987 1.3987 1.4005 1.4005 3.5587 3.5587 3.6073 3.6073 4.0362 4.0362 4.0805 4.0805 5.8085 5.8085 5.8364 5.8364 6.6211 6.6211 6.6288 6.6288 7.3924 7.3924 7.3970 7.3970 10.8815 10.8815 10.8842 10.8842 11.7799 11.7799 11.7811 11.7811 k = 0.4878 0.5000 0.2248 ( 5180 PWs) bands (ev): -2.0451 -2.0451 -2.0449 -2.0449 1.4096 1.4096 1.4104 1.4104 3.5741 3.5741 3.6000 3.6000 4.0208 4.0208 4.0444 4.0444 5.8177 5.8177 5.8318 5.8318 6.6202 6.6202 6.6242 6.6242 7.3960 7.3960 7.3982 7.3982 10.8799 10.8799 10.8813 10.8813 11.7857 11.7857 11.7863 11.7863 k = 0.5000 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.0443 -2.0443 -2.0443 -2.0443 1.4135 1.4135 1.4135 1.4135 3.5886 3.5886 3.5886 3.5886 4.0238 4.0238 4.0238 4.0238 5.8255 5.8255 5.8255 5.8255 6.6213 6.6213 6.6213 6.6213 7.3980 7.3980 7.3980 7.3980 10.8798 10.8798 10.8798 10.8798 11.7878 11.7878 11.7878 11.7878 k = 0.5000 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.0443 -2.0443 -2.0443 -2.0443 1.4135 1.4135 1.4135 1.4135 3.5886 3.5886 3.5886 3.5886 4.0238 4.0238 4.0238 4.0238 5.8255 5.8255 5.8255 5.8255 6.6213 6.6213 6.6213 6.6213 7.3980 7.3980 7.3980 7.3980 10.8798 10.8798 10.8798 10.8798 11.7878 11.7878 11.7878 11.7878 k = 0.4914 0.4914 0.2248 ( 5178 PWs) bands (ev): -2.0459 -2.0459 -2.0440 -2.0440 1.4051 1.4051 1.4149 1.4149 3.5737 3.5737 3.6005 3.6005 4.0207 4.0207 4.0445 4.0445 5.8175 5.8175 5.8320 5.8320 6.6198 6.6198 6.6246 6.6246 7.3954 7.3954 7.3988 7.3988 10.8796 10.8796 10.8816 10.8816 11.7850 11.7850 11.7870 11.7870 k = 0.4828 0.4828 0.2248 ( 5178 PWs) bands (ev): -2.0508 -2.0508 -2.0433 -2.0433 1.3806 1.3806 1.4189 1.4189 3.5553 3.5553 3.6105 3.6105 4.0356 4.0356 4.0810 4.0810 5.8071 5.8071 5.8379 5.8379 6.6183 6.6183 6.6316 6.6316 7.3891 7.3891 7.4003 7.4003 10.8797 10.8797 10.8861 10.8861 11.7768 11.7768 11.7842 11.7842 k = 0.4741 0.4741 0.2248 ( 5172 PWs) bands (ev): -2.0589 -2.0589 -2.0420 -2.0420 1.3409 1.3409 1.4257 1.4257 3.5340 3.5340 3.6200 3.6200 4.0671 4.0671 4.1317 4.1317 5.7936 5.7936 5.8439 5.8439 6.6159 6.6159 6.6427 6.6427 7.3792 7.3792 7.4026 7.4026 10.8797 10.8797 10.8930 10.8930 11.7634 11.7634 11.7796 11.7796 k = 0.4655 0.4655 0.2248 ( 5172 PWs) bands (ev): -2.0702 -2.0702 -2.0403 -2.0403 1.2878 1.2878 1.4352 1.4352 3.5111 3.5111 3.6301 3.6301 4.1121 4.1121 4.1955 4.1955 5.7767 5.7767 5.8508 5.8508 6.6120 6.6120 6.6582 6.6582 7.3664 7.3664 7.4059 7.4059 10.8792 10.8792 10.9017 10.9017 11.7454 11.7454 11.7732 11.7732 k = 0.4569 0.4569 0.2248 ( 5170 PWs) bands (ev): -2.0846 -2.0846 -2.0381 -2.0381 1.2232 1.2232 1.4474 1.4474 3.4882 3.4882 3.6413 3.6413 4.1668 4.1668 4.2717 4.2717 5.7566 5.7566 5.8587 5.8587 6.6059 6.6059 6.6780 6.6780 7.3519 7.3519 7.4102 7.4102 10.8776 10.8776 10.9113 10.9113 11.7233 11.7233 11.7651 11.7651 k = 0.4483 0.4483 0.2248 ( 5156 PWs) bands (ev): -2.1022 -2.1022 -2.0356 -2.0356 1.1491 1.1491 1.4623 1.4623 3.4665 3.4665 3.6540 3.6540 4.2279 4.2279 4.3597 4.3597 5.7334 5.7334 5.8678 5.8678 6.5966 6.5966 6.7021 6.7021 7.3370 7.3370 7.4153 7.4153 10.8746 10.8746 10.9206 10.9206 11.6977 11.6977 11.7553 11.7553 k = 0.4397 0.4397 0.2248 ( 5160 PWs) bands (ev): -2.1228 -2.1228 -2.0328 -2.0328 1.0675 1.0675 1.4800 1.4800 3.4472 3.4472 3.6685 3.6685 4.2930 4.2930 4.4581 4.4581 5.7076 5.7076 5.8784 5.8784 6.5832 6.5832 6.7305 6.7305 7.3232 7.3232 7.4214 7.4214 10.8698 10.8698 10.9281 10.9281 11.6692 11.6692 11.7440 11.7440 k = 0.4310 0.4310 0.2248 ( 5166 PWs) bands (ev): -2.1463 -2.1463 -2.0297 -2.0297 0.9799 0.9799 1.5003 1.5003 3.4310 3.4310 3.6850 3.6850 4.3607 4.3607 4.5653 4.5653 5.6798 5.6798 5.8905 5.8905 6.5647 6.5647 6.7633 6.7633 7.3120 7.3120 7.4284 7.4284 10.8633 10.8633 10.9328 10.9328 11.6383 11.6383 11.7313 11.7313 k = 0.4224 0.4224 0.2248 ( 5170 PWs) bands (ev): -2.1728 -2.1728 -2.0265 -2.0265 0.8879 0.8879 1.5233 1.5233 3.4186 3.4186 3.7034 3.7034 4.4301 4.4301 4.6790 4.6790 5.6509 5.6509 5.9041 5.9041 6.5403 6.5403 6.8006 6.8006 7.3047 7.3047 7.4363 7.4363 10.8552 10.8552 10.9334 10.9334 11.6055 11.6055 11.7175 11.7175 k = 0.4138 0.4138 0.2248 ( 5166 PWs) bands (ev): -2.2020 -2.2020 -2.0232 -2.0232 0.7927 0.7927 1.5491 1.5491 3.4103 3.4103 3.7238 3.7238 4.5006 4.5006 4.7971 4.7971 5.6220 5.6220 5.9193 5.9193 6.5094 6.5094 6.8423 6.8423 7.3025 7.3025 7.4450 7.4450 10.8458 10.8458 10.9294 10.9294 11.5708 11.5708 11.7030 11.7030 k = 0.4052 0.4052 0.2248 ( 5170 PWs) bands (ev): -2.2339 -2.2339 -2.0200 -2.0200 0.6953 0.6953 1.5775 1.5775 3.4063 3.4063 3.7463 3.7463 4.5717 4.5717 4.9167 4.9167 5.5950 5.5950 5.9362 5.9362 6.4720 6.4720 6.8886 6.8886 7.3058 7.3058 7.4546 7.4546 10.8357 10.8357 10.9206 10.9206 11.5346 11.5346 11.6879 11.6879 k = 0.3966 0.3966 0.2248 ( 5174 PWs) bands (ev): -2.2684 -2.2684 -2.0170 -2.0170 0.5967 0.5967 1.6086 1.6086 3.4070 3.4070 3.7707 3.7707 4.6429 4.6429 5.0334 5.0334 5.5733 5.5733 5.9549 5.9549 6.4284 6.4284 6.9397 6.9397 7.3147 7.3147 7.4651 7.4651 10.8255 10.8255 10.9075 10.9075 11.4970 11.4970 11.6720 11.6720 k = 0.3879 0.3879 0.2248 ( 5178 PWs) bands (ev): -2.3053 -2.3053 -2.0143 -2.0143 0.4977 0.4977 1.6424 1.6424 3.4124 3.4124 3.7972 3.7972 4.7137 4.7137 5.1400 5.1400 5.5636 5.5636 5.9756 5.9756 6.3794 6.3794 6.9957 6.9957 7.3289 7.3289 7.4764 7.4764 10.8161 10.8161 10.8912 10.8912 11.4581 11.4581 11.6554 11.6554 k = 0.3793 0.3793 0.2248 ( 5178 PWs) bands (ev): -2.3444 -2.3444 -2.0120 -2.0120 0.3987 0.3987 1.6789 1.6789 3.4225 3.4225 3.8258 3.8258 4.7836 4.7836 5.2227 5.2227 5.5787 5.5787 5.9986 5.9986 6.3259 6.3259 7.0566 7.0566 7.3479 7.3479 7.4884 7.4884 10.8083 10.8083 10.8729 10.8729 11.4178 11.4178 11.6379 11.6379 k = 0.3707 0.3707 0.2248 ( 5186 PWs) bands (ev): -2.3856 -2.3856 -2.0104 -2.0104 0.3005 0.3005 1.7180 1.7180 3.4373 3.4373 3.8563 3.8563 4.8520 4.8520 5.2674 5.2674 5.6320 5.6320 6.0243 6.0243 6.2693 6.2693 7.1227 7.1227 7.3710 7.3710 7.5012 7.5012 10.8028 10.8028 10.8539 10.8539 11.3764 11.3764 11.6196 11.6196 k = 0.3621 0.3621 0.2248 ( 5180 PWs) bands (ev): -2.4288 -2.4288 -2.0095 -2.0095 0.2034 0.2034 1.7599 1.7599 3.4567 3.4567 3.8889 3.8889 4.9178 4.9178 5.2780 5.2780 5.7183 5.7183 6.0537 6.0537 6.2112 6.2112 7.1940 7.1940 7.3974 7.3974 7.5147 7.5147 10.8000 10.8000 10.8357 10.8357 11.3337 11.3337 11.6005 11.6005 k = 0.3534 0.3534 0.2248 ( 5188 PWs) bands (ev): -2.4738 -2.4738 -2.0095 -2.0095 0.1079 0.1079 1.8044 1.8044 3.4806 3.4806 3.9234 3.9234 4.9795 4.9795 5.2715 5.2715 5.8182 5.8182 6.0866 6.0866 6.1560 6.1560 7.2705 7.2705 7.4266 7.4266 7.5289 7.5289 10.7993 10.7993 10.8209 10.8209 11.2896 11.2896 11.5807 11.5807 k = 0.3448 0.3448 0.2248 ( 5188 PWs) bands (ev): -2.5203 -2.5203 -2.0107 -2.0107 0.0143 0.0143 1.8515 1.8515 3.5087 3.5087 3.9599 3.9599 5.0337 5.0337 5.2616 5.2616 5.9128 5.9128 6.0856 6.0856 6.1501 6.1501 7.3514 7.3514 7.4584 7.4584 7.5437 7.5437 10.7945 10.7945 10.8168 10.8168 11.2441 11.2441 11.5601 11.5601 k = 0.3362 0.3362 0.2248 ( 5188 PWs) bands (ev): -2.5683 -2.5683 -2.0131 -2.0131 -0.0770 -0.0770 1.9013 1.9013 3.5409 3.5409 3.9984 3.9984 5.0747 5.0747 5.2587 5.2587 5.9728 5.9728 6.0551 6.0551 6.2143 6.2143 7.4339 7.4339 7.4951 7.4951 7.5591 7.5591 10.7849 10.7849 10.8257 10.8257 11.1970 11.1970 11.5390 11.5390 k = 0.3276 0.3276 0.2248 ( 5184 PWs) bands (ev): -2.6175 -2.6175 -2.0171 -2.0171 -0.1657 -0.1657 1.9537 1.9537 3.5767 3.5767 4.0388 4.0388 5.0954 5.0954 5.2713 5.2713 5.9533 5.9533 6.0831 6.0831 6.3045 6.3045 7.5003 7.5003 7.5530 7.5530 7.5755 7.5755 10.7769 10.7769 10.8421 10.8421 11.1481 11.1481 11.5171 11.5171 k = 0.3190 0.3190 0.2248 ( 5192 PWs) bands (ev): -2.6678 -2.6678 -2.0227 -2.0227 -0.2516 -0.2516 2.0087 2.0087 3.6157 3.6157 4.0811 4.0811 5.0967 5.0967 5.2982 5.2982 5.9108 5.9108 6.1256 6.1256 6.4094 6.4094 7.5402 7.5402 7.5907 7.5907 7.6437 7.6437 10.7724 10.7724 10.8647 10.8647 11.0973 11.0973 11.4946 11.4946 k = 0.3103 0.3103 0.2248 ( 5182 PWs) bands (ev): -2.7189 -2.7189 -2.0302 -2.0302 -0.3343 -0.3343 2.0664 2.0664 3.6575 3.6575 4.1253 4.1253 5.0874 5.0874 5.3290 5.3290 5.8736 5.8736 6.1655 6.1655 6.5199 6.5199 7.5731 7.5731 7.6076 7.6076 7.7439 7.7439 10.7720 10.7720 10.8932 10.8932 11.0443 11.0443 11.4715 11.4715 k = 0.3017 0.3017 0.2248 ( 5188 PWs) bands (ev): -2.7707 -2.7707 -2.0397 -2.0397 -0.4137 -0.4137 2.1266 2.1266 3.7013 3.7013 4.1714 4.1714 5.0746 5.0746 5.3541 5.3541 5.8486 5.8486 6.2040 6.2040 6.6315 6.6315 7.6034 7.6034 7.6248 7.6248 7.8491 7.8491 10.7760 10.7760 10.9265 10.9265 10.9900 10.9900 11.4477 11.4477 k = 0.2931 0.2931 0.2248 ( 5190 PWs) bands (ev): -2.8230 -2.8230 -2.0515 -2.0515 -0.4896 -0.4896 2.1894 2.1894 3.7465 3.7465 4.2193 4.2193 5.0618 5.0618 5.3678 5.3678 5.8402 5.8402 6.2422 6.2422 6.7421 6.7421 7.6309 7.6309 7.6431 7.6431 7.9575 7.9575 10.7840 10.7840 10.9256 10.9256 10.9730 10.9730 11.4232 11.4232 k = 0.2845 0.2845 0.2248 ( 5182 PWs) bands (ev): -2.8756 -2.8756 -2.0655 -2.0655 -0.5617 -0.5617 2.2548 2.2548 3.7921 3.7921 4.2690 4.2690 5.0508 5.0508 5.3686 5.3686 5.8496 5.8496 6.2809 6.2809 6.8508 6.8508 7.6533 7.6533 7.6652 7.6652 8.0676 8.0676 10.7940 10.7940 10.8682 10.8682 11.0162 11.0162 11.3982 11.3982 k = 0.2759 0.2759 0.2248 ( 5174 PWs) bands (ev): -2.9284 -2.9284 -2.0820 -2.0820 -0.6300 -0.6300 2.3227 2.3227 3.8369 3.8369 4.3204 4.3204 5.0428 5.0428 5.3591 5.3591 5.8747 5.8747 6.3204 6.3204 6.9572 6.9572 7.6712 7.6712 7.6901 7.6901 8.1781 8.1781 10.7846 10.7846 10.8277 10.8277 11.0661 11.0661 11.3725 11.3725 k = 0.2672 0.2672 0.2248 ( 5178 PWs) bands (ev): -2.9812 -2.9812 -2.1010 -2.1010 -0.6943 -0.6943 2.3931 2.3931 3.8798 3.8798 4.3735 4.3735 5.0384 5.0384 5.3443 5.3443 5.9115 5.9115 6.3608 6.3608 7.0611 7.0611 7.6878 7.6878 7.7147 7.7147 8.2878 8.2878 10.7229 10.7229 10.8367 10.8367 11.1201 11.1201 11.3464 11.3464 k = 0.2586 0.2586 0.2248 ( 5178 PWs) bands (ev): -3.0338 -3.0338 -2.1225 -2.1225 -0.7546 -0.7546 2.4661 2.4661 3.9192 3.9192 4.4280 4.4280 5.0384 5.0384 5.3291 5.3291 5.9559 5.9559 6.4023 6.4023 7.1626 7.1626 7.7034 7.7034 7.7384 7.7384 8.3956 8.3956 10.6494 10.6494 10.8521 10.8521 11.1766 11.1766 11.3201 11.3201 k = 0.2500 0.2500 0.2248 ( 5162 PWs) bands (ev): -3.0860 -3.0860 -2.1465 -2.1465 -0.8109 -0.8109 2.5415 2.5415 3.9537 3.9537 4.4838 4.4838 5.0435 5.0435 5.3178 5.3178 6.0051 6.0051 6.4449 6.4449 7.2617 7.2617 7.7182 7.7182 7.7612 7.7612 8.5003 8.5003 10.5700 10.5700 10.8643 10.8643 11.2325 11.2325 11.2956 11.2956 k = 0.2414 0.2414 0.2248 ( 5164 PWs) bands (ev): -3.1378 -3.1378 -2.1728 -2.1728 -0.8632 -0.8632 2.6193 2.6193 3.9818 3.9818 4.5407 4.5407 5.0542 5.0542 5.3133 5.3133 6.0571 6.0571 6.4886 6.4886 7.3582 7.3582 7.7320 7.7320 7.7832 7.7832 8.6011 8.6011 10.4852 10.4852 10.8680 10.8680 11.2556 11.2556 11.3039 11.3039 k = 0.2328 0.2328 0.2248 ( 5168 PWs) bands (ev): -3.1890 -3.1890 -2.2014 -2.2014 -0.9117 -0.9117 2.6995 2.6995 4.0022 4.0022 4.5982 4.5982 5.0709 5.0709 5.3179 5.3179 6.1107 6.1107 6.5333 6.5333 7.4520 7.4520 7.7447 7.7447 7.8047 7.8047 8.6973 8.6973 10.3949 10.3949 10.8587 10.8587 11.2326 11.2326 11.3560 11.3560 k = 0.2241 0.2241 0.2248 ( 5164 PWs) bands (ev): -3.2394 -3.2394 -2.2320 -2.2320 -0.9565 -0.9565 2.7821 2.7821 4.0140 4.0140 4.6563 4.6563 5.0941 5.0941 5.3332 5.3332 6.1649 6.1649 6.5790 6.5790 7.5426 7.5426 7.7561 7.7561 7.8260 7.8260 8.7883 8.7883 10.2991 10.2991 10.8331 10.8331 11.2061 11.2061 11.4067 11.4067 k = 0.2155 0.2155 0.2248 ( 5168 PWs) bands (ev): -3.2889 -3.2889 -2.2643 -2.2643 -0.9978 -0.9978 2.8671 2.8671 4.0171 4.0171 4.7146 4.7146 5.1233 5.1233 5.3604 5.3604 6.2192 6.2192 6.6255 6.6255 7.6291 7.6291 7.7662 7.7662 7.8478 7.8478 8.8740 8.8740 10.1979 10.1979 10.7910 10.7910 11.1796 11.1796 11.4478 11.4478 k = 0.2069 0.2069 0.2248 ( 5168 PWs) bands (ev): -3.3374 -3.3374 -2.2982 -2.2982 -1.0358 -1.0358 2.9542 2.9542 4.0119 4.0119 4.7730 4.7730 5.1581 5.1581 5.3997 5.3997 6.2733 6.2733 6.6729 6.6729 7.7087 7.7087 7.7763 7.7763 7.8712 7.8712 8.9543 8.9543 10.0915 10.0915 10.7347 10.7347 11.1534 11.1534 11.4594 11.4594 k = 0.1983 0.1983 0.2248 ( 5166 PWs) bands (ev): -3.3847 -3.3847 -2.3331 -2.3331 -1.0708 -1.0708 3.0436 3.0436 3.9991 3.9991 4.8316 4.8316 5.1978 5.1978 5.4508 5.4508 6.3268 6.3268 6.7208 6.7208 7.7633 7.7633 7.8006 7.8006 7.8992 7.8992 9.0293 9.0293 9.9803 9.9803 10.6678 10.6678 11.1278 11.1278 11.3855 11.3855 k = 0.1897 0.1897 0.2248 ( 5174 PWs) bands (ev): -3.4308 -3.4308 -2.3689 -2.3689 -1.1029 -1.1029 3.1352 3.1352 3.9800 3.9800 4.8903 4.8903 5.2419 5.2419 5.5130 5.5130 6.3796 6.3796 6.7691 6.7691 7.7746 7.7746 7.8503 7.8503 7.9382 7.9382 9.0992 9.0992 9.8647 9.8647 10.5942 10.5942 11.1031 11.1031 11.2840 11.2840 k = 0.1810 0.1810 0.2248 ( 5180 PWs) bands (ev): -3.4756 -3.4756 -2.4052 -2.4052 -1.1325 -1.1325 3.2288 3.2288 3.9559 3.9559 4.9495 4.9495 5.2901 5.2901 5.5846 5.5846 6.4315 6.4315 6.8177 6.8177 7.7760 7.7760 7.8874 7.8874 7.9915 7.9915 9.1644 9.1644 9.7456 9.7456 10.5176 10.5176 11.0795 11.0795 11.1797 11.1797 k = 0.1724 0.1724 0.2248 ( 5188 PWs) bands (ev): -3.5189 -3.5189 -2.4417 -2.4417 -1.1597 -1.1597 3.3243 3.3243 3.9280 3.9280 5.0092 5.0092 5.3422 5.3422 5.6640 5.6640 6.4824 6.4824 6.8662 6.8662 7.7733 7.7733 7.9137 7.9137 8.0503 8.0503 9.2251 9.2251 9.6238 9.6238 10.4412 10.4412 11.0568 11.0568 11.0756 11.0756 k = 0.1638 0.1638 0.2248 ( 5192 PWs) bands (ev): -3.5606 -3.5606 -2.4781 -2.4781 -1.1848 -1.1848 3.4218 3.4218 3.8974 3.8974 5.0697 5.0697 5.3982 5.3982 5.7495 5.7495 6.5322 6.5322 6.9144 6.9144 7.7670 7.7670 7.9351 7.9351 8.1064 8.1064 9.2813 9.2813 9.5006 9.5006 10.3679 10.3679 10.9705 10.9705 11.0372 11.0372 k = 0.1552 0.1552 0.2248 ( 5184 PWs) bands (ev): -3.6007 -3.6007 -2.5140 -2.5140 -1.2080 -1.2080 3.5209 3.5209 3.8651 3.8651 5.1310 5.1310 5.4577 5.4577 5.8394 5.8394 6.5811 6.5811 6.9617 6.9617 7.7569 7.7569 7.9540 7.9540 8.1561 8.1561 9.3287 9.3287 9.3821 9.3821 10.3001 10.3001 10.8669 10.8669 11.0186 11.0186 k = 0.1466 0.1466 0.2248 ( 5190 PWs) bands (ev): -3.6391 -3.6391 -2.5493 -2.5493 -1.2294 -1.2294 3.6217 3.6217 3.8319 3.8319 5.1935 5.1935 5.5206 5.5206 5.9323 5.9323 6.6288 6.6288 7.0077 7.0077 7.7431 7.7431 7.9706 7.9706 8.1970 8.1970 9.2484 9.2484 9.3887 9.3887 10.2404 10.2404 10.7640 10.7640 11.0022 11.0022 k = 0.1379 0.1379 0.2248 ( 5190 PWs) bands (ev): -3.6756 -3.6756 -2.5836 -2.5836 -1.2492 -1.2492 3.7239 3.7239 3.7985 3.7985 5.2571 5.2571 5.5866 5.5866 6.0266 6.0266 6.6757 6.6757 7.0518 7.0518 7.7253 7.7253 7.9845 7.9845 8.2278 8.2278 9.1284 9.1284 9.4344 9.4344 10.1908 10.1908 10.6621 10.6621 10.9880 10.9880 k = 0.1293 0.1293 0.2248 ( 5186 PWs) bands (ev): -3.7104 -3.7104 -2.6168 -2.6168 -1.2674 -1.2674 3.7654 3.7654 3.8273 3.8273 5.3219 5.3219 5.6553 5.6553 6.1210 6.1210 6.7218 6.7218 7.0931 7.0931 7.7035 7.7035 7.9943 7.9943 8.2481 8.2481 9.0118 9.0118 9.4786 9.4786 10.1527 10.1527 10.5612 10.5612 10.9760 10.9760 k = 0.1207 0.1207 0.2248 ( 5198 PWs) bands (ev): -3.7431 -3.7431 -2.6486 -2.6486 -1.2843 -1.2843 3.7331 3.7331 3.9317 3.9317 5.3878 5.3878 5.7264 5.7264 6.2141 6.2141 6.7673 6.7673 7.1304 7.1304 7.6777 7.6777 7.9978 7.9978 8.2591 8.2591 8.9013 8.9013 9.5207 9.5207 10.1272 10.1272 10.4615 10.4615 10.9655 10.9655 k = 0.1121 0.1121 0.2248 ( 5206 PWs) bands (ev): -3.7739 -3.7739 -2.6789 -2.6789 -1.2998 -1.2998 3.7019 3.7019 4.0367 4.0367 5.4548 5.4548 5.7996 5.7996 6.3043 6.3043 6.8125 6.8125 7.1624 7.1624 7.6481 7.6481 7.9918 7.9918 8.2631 8.2631 8.7997 8.7997 9.5612 9.5612 10.1143 10.1143 10.3634 10.3634 10.9545 10.9545 k = 0.1034 0.1034 0.2248 ( 5210 PWs) bands (ev): -3.8026 -3.8026 -2.7075 -2.7075 -1.3141 -1.3141 3.6722 3.6722 4.1420 4.1420 5.5226 5.5226 5.8746 5.8746 6.3903 6.3903 6.8577 6.8577 7.1875 7.1875 7.6147 7.6147 7.9731 7.9731 8.2638 8.2638 8.7097 8.7097 9.6003 9.6003 10.1131 10.1131 10.2672 10.2672 10.9333 10.9333 k = 0.0948 0.0948 0.2248 ( 5210 PWs) bands (ev): -3.8292 -3.8292 -2.7342 -2.7342 -1.3272 -1.3272 3.6442 3.6442 4.2471 4.2471 5.5910 5.5910 5.9509 5.9509 6.4704 6.4704 6.9032 6.9032 7.2037 7.2037 7.5779 7.5779 7.9401 7.9401 8.2638 8.2638 8.6343 8.6343 9.6380 9.6380 10.1213 10.1213 10.1743 10.1743 10.8878 10.8878 k = 0.0862 0.0862 0.2248 ( 5206 PWs) bands (ev): -3.8537 -3.8537 -2.7590 -2.7590 -1.3390 -1.3390 3.6181 3.6181 4.3514 4.3514 5.6594 5.6594 6.0284 6.0284 6.5433 6.5433 6.9490 6.9490 7.2090 7.2090 7.5379 7.5379 7.8941 7.8941 8.2628 8.2628 8.5768 8.5768 9.6741 9.6741 10.0784 10.0784 10.1440 10.1440 10.8309 10.8309 k = 0.0776 0.0776 0.2248 ( 5194 PWs) bands (ev): -3.8759 -3.8759 -2.7817 -2.7817 -1.3497 -1.3497 3.5940 3.5940 4.4542 4.4542 5.7275 5.7275 6.1065 6.1065 6.6079 6.6079 6.9944 6.9944 7.2023 7.2023 7.4953 7.4953 7.8389 7.8389 8.2587 8.2587 8.5406 8.5406 9.7082 9.7082 9.9910 9.9910 10.1688 10.1688 10.7722 10.7722 k = 0.0690 0.0690 0.2248 ( 5186 PWs) bands (ev): -3.8959 -3.8959 -2.8022 -2.8022 -1.3593 -1.3593 3.5722 3.5722 4.5544 4.5544 5.7944 5.7944 6.1847 6.1847 6.6636 6.6636 7.0374 7.0374 7.1842 7.1842 7.4506 7.4506 7.7785 7.7785 8.2498 8.2498 8.5266 8.5266 9.7395 9.7395 9.9069 9.9069 10.1998 10.1998 10.7144 10.7144 k = 0.0603 0.0603 0.2248 ( 5182 PWs) bands (ev): -3.9137 -3.9137 -2.8206 -2.8206 -1.3677 -1.3677 3.5527 3.5527 4.6511 4.6511 5.8592 5.8592 6.2624 6.2624 6.7102 6.7102 7.0701 7.0701 7.1628 7.1628 7.4047 7.4047 7.7158 7.7158 8.2384 8.2384 8.5314 8.5314 9.7645 9.7645 9.8308 9.8308 10.2348 10.2348 10.6587 10.6587 k = 0.0517 0.0517 0.2248 ( 5190 PWs) bands (ev): -3.9291 -3.9291 -2.8366 -2.8366 -1.3750 -1.3750 3.5356 3.5356 4.7425 4.7425 5.9210 5.9210 6.3388 6.3388 6.7479 6.7479 7.0670 7.0670 7.1649 7.1649 7.3588 7.3588 7.6526 7.6526 8.2283 8.2283 8.5493 8.5493 9.7405 9.7405 9.8059 9.8059 10.2718 10.2718 10.6063 10.6063 k = 0.0431 0.0431 0.2248 ( 5198 PWs) bands (ev): -3.9422 -3.9422 -2.8502 -2.8502 -1.3812 -1.3812 3.5211 3.5211 4.8269 4.8269 5.9782 5.9782 6.4126 6.4126 6.7770 6.7770 7.0295 7.0295 7.1918 7.1918 7.3148 7.3148 7.5901 7.5901 8.2219 8.2219 8.5745 8.5745 9.6761 9.6761 9.8245 9.8245 10.3090 10.3090 10.5584 10.5584 k = 0.0345 0.0345 0.2248 ( 5186 PWs) bands (ev): -3.9529 -3.9529 -2.8614 -2.8614 -1.3863 -1.3863 3.5091 3.5091 4.9018 4.9018 6.0292 6.0292 6.4820 6.4820 6.7974 6.7974 6.9851 6.9851 7.2169 7.2169 7.2788 7.2788 7.5299 7.5299 8.2197 8.2197 8.6024 8.6024 9.6165 9.6165 9.8428 9.8428 10.3446 10.3446 10.5164 10.5164 k = 0.0259 0.0259 0.2248 ( 5180 PWs) bands (ev): -3.9613 -3.9613 -2.8702 -2.8702 -1.3902 -1.3902 3.4997 3.4997 4.9646 4.9646 6.0721 6.0721 6.5444 6.5444 6.8081 6.8081 6.9463 6.9463 7.2120 7.2120 7.2748 7.2748 7.4740 7.4740 8.2206 8.2206 8.6291 8.6291 9.5663 9.5663 9.8576 9.8576 10.3763 10.3763 10.4818 10.4818 k = 0.0172 0.0172 0.2248 ( 5192 PWs) bands (ev): -3.9673 -3.9673 -2.8764 -2.8764 -1.3931 -1.3931 3.4929 3.4929 5.0124 5.0124 6.1048 6.1048 6.5956 6.5956 6.8087 6.8087 6.9205 6.9205 7.1858 7.1858 7.2958 7.2958 7.4247 7.4247 8.2229 8.2229 8.6513 8.6513 9.5280 9.5280 9.8683 9.8683 10.4017 10.4017 10.4557 10.4557 k = 0.0086 0.0086 0.2248 ( 5200 PWs) bands (ev): -3.9709 -3.9709 -2.8802 -2.8802 -1.3947 -1.3947 3.4889 3.4889 5.0425 5.0425 6.1255 6.1255 6.6302 6.6302 6.8034 6.8034 6.9085 6.9085 7.1650 7.1650 7.3202 7.3202 7.3838 7.3838 8.2250 8.2250 8.6660 8.6660 9.5039 9.5039 9.8749 9.8749 10.4185 10.4185 10.4394 10.4394 k = 0.0000 0.0000 0.2248 ( 5204 PWs) bands (ev): -3.9721 -3.9721 -2.8815 -2.8815 -1.3953 -1.3953 3.4875 3.4875 5.0527 5.0527 6.1325 6.1325 6.6426 6.6426 6.8003 6.8003 6.9053 6.9053 7.1573 7.1573 7.3409 7.3409 7.3574 7.3574 8.2259 8.2259 8.6712 8.6712 9.4956 9.4956 9.8771 9.8771 10.4248 10.4248 10.4334 10.4334 k = 0.0000 0.5000-0.0000 ( 5168 PWs) bands (ev): -2.4652 -2.4652 -2.4652 -2.4652 0.1667 0.1667 0.1667 0.1667 3.3613 3.3613 3.3613 3.3613 6.4113 6.4113 6.4113 6.4113 6.8785 6.8785 6.8785 6.8785 7.7838 7.7838 7.7838 7.7838 8.8002 8.8002 8.8002 8.8002 10.0244 10.0244 10.0244 10.0244 11.3087 11.3087 11.3087 11.3087 k = 0.0000 0.5000 0.0118 ( 5190 PWs) bands (ev): -2.4651 -2.4651 -2.4651 -2.4651 0.1660 0.1660 0.1660 0.1660 3.3640 3.3640 3.3640 3.3640 6.4097 6.4097 6.4097 6.4097 6.8700 6.8700 6.8700 6.8700 7.7906 7.7906 7.7906 7.7906 8.8018 8.8018 8.8018 8.8018 10.0261 10.0261 10.0261 10.0261 11.3119 11.3119 11.3119 11.3119 k = 0.0000 0.5000 0.0237 ( 5186 PWs) bands (ev): -2.4648 -2.4648 -2.4648 -2.4648 0.1639 0.1639 0.1639 0.1639 3.3717 3.3717 3.3717 3.3717 6.4050 6.4050 6.4050 6.4050 6.8456 6.8456 6.8456 6.8456 7.8102 7.8102 7.8102 7.8102 8.8065 8.8065 8.8065 8.8065 10.0311 10.0311 10.0311 10.0311 11.3212 11.3212 11.3212 11.3212 k = 0.0000 0.5000 0.0355 ( 5190 PWs) bands (ev): -2.4643 -2.4643 -2.4643 -2.4643 0.1604 0.1604 0.1604 0.1604 3.3846 3.3846 3.3846 3.3846 6.3967 6.3967 6.3967 6.3967 6.8087 6.8087 6.8087 6.8087 7.8400 7.8400 7.8400 7.8400 8.8141 8.8141 8.8141 8.8141 10.0395 10.0395 10.0395 10.0395 11.3365 11.3365 11.3365 11.3365 k = 0.0000 0.5000 0.0473 ( 5186 PWs) bands (ev): -2.4636 -2.4636 -2.4636 -2.4636 0.1558 0.1558 0.1558 0.1558 3.4022 3.4022 3.4022 3.4022 6.3837 6.3837 6.3837 6.3837 6.7634 6.7634 6.7634 6.7634 7.8766 7.8766 7.8766 7.8766 8.8247 8.8247 8.8247 8.8247 10.0513 10.0513 10.0513 10.0513 11.3574 11.3574 11.3574 11.3574 k = 0.0000 0.5000 0.0592 ( 5178 PWs) bands (ev): -2.4627 -2.4627 -2.4627 -2.4627 0.1501 0.1501 0.1501 0.1501 3.4244 3.4244 3.4244 3.4244 6.3647 6.3647 6.3647 6.3647 6.7146 6.7146 6.7146 6.7146 7.9172 7.9172 7.9172 7.9172 8.8378 8.8378 8.8378 8.8378 10.0663 10.0663 10.0663 10.0663 11.3834 11.3834 11.3834 11.3834 k = 0.0000 0.5000 0.0710 ( 5182 PWs) bands (ev): -2.4617 -2.4617 -2.4617 -2.4617 0.1434 0.1434 0.1434 0.1434 3.4506 3.4506 3.4506 3.4506 6.3379 6.3379 6.3379 6.3379 6.6669 6.6669 6.6669 6.6669 7.9591 7.9591 7.9591 7.9591 8.8534 8.8534 8.8534 8.8534 10.0845 10.0845 10.0845 10.0845 11.4136 11.4136 11.4136 11.4136 k = 0.0000 0.5000 0.0828 ( 5190 PWs) bands (ev): -2.4606 -2.4606 -2.4606 -2.4606 0.1361 0.1361 0.1361 0.1361 3.4805 3.4805 3.4805 3.4805 6.3017 6.3017 6.3017 6.3017 6.6244 6.6244 6.6244 6.6244 8.0005 8.0005 8.0005 8.0005 8.8710 8.8710 8.8710 8.8710 10.1056 10.1056 10.1056 10.1056 11.4470 11.4470 11.4470 11.4470 k = 0.0000 0.5000 0.0946 ( 5188 PWs) bands (ev): -2.4594 -2.4594 -2.4594 -2.4594 0.1282 0.1282 0.1282 0.1282 3.5134 3.5134 3.5134 3.5134 6.2556 6.2556 6.2556 6.2556 6.5896 6.5896 6.5896 6.5896 8.0400 8.0400 8.0400 8.0400 8.8904 8.8904 8.8904 8.8904 10.1293 10.1293 10.1293 10.1293 11.4823 11.4823 11.4823 11.4823 k = 0.0000 0.5000 0.1065 ( 5196 PWs) bands (ev): -2.4581 -2.4581 -2.4581 -2.4581 0.1201 0.1201 0.1201 0.1201 3.5487 3.5487 3.5487 3.5487 6.2013 6.2013 6.2013 6.2013 6.5627 6.5627 6.5627 6.5627 8.0768 8.0768 8.0768 8.0768 8.9109 8.9109 8.9109 8.9109 10.1550 10.1550 10.1550 10.1550 11.5168 11.5168 11.5168 11.5168 k = 0.0000 0.5000 0.1183 ( 5190 PWs) bands (ev): -2.4568 -2.4568 -2.4568 -2.4568 0.1120 0.1120 0.1120 0.1120 3.5856 3.5856 3.5856 3.5856 6.1415 6.1415 6.1415 6.1415 6.5424 6.5424 6.5424 6.5424 8.1101 8.1101 8.1101 8.1101 8.9322 8.9322 8.9322 8.9322 10.1822 10.1822 10.1822 10.1822 11.5413 11.5413 11.5413 11.5413 k = 0.0000 0.5000 0.1301 ( 5178 PWs) bands (ev): -2.4556 -2.4556 -2.4556 -2.4556 0.1039 0.1039 0.1039 0.1039 3.6232 3.6232 3.6232 3.6232 6.0794 6.0794 6.0794 6.0794 6.5271 6.5271 6.5271 6.5271 8.1397 8.1397 8.1397 8.1397 8.9537 8.9537 8.9537 8.9537 10.2100 10.2100 10.2100 10.2100 11.5147 11.5147 11.5147 11.5147 k = 0.0000 0.5000 0.1420 ( 5180 PWs) bands (ev): -2.4543 -2.4543 -2.4543 -2.4543 0.0963 0.0963 0.0963 0.0963 3.6605 3.6605 3.6605 3.6605 6.0178 6.0178 6.0178 6.0178 6.5154 6.5154 6.5154 6.5154 8.1655 8.1655 8.1655 8.1655 8.9748 8.9748 8.9748 8.9748 10.2376 10.2376 10.2376 10.2376 11.4609 11.4609 11.4609 11.4609 k = 0.0000 0.5000 0.1538 ( 5180 PWs) bands (ev): -2.4532 -2.4532 -2.4532 -2.4532 0.0893 0.0893 0.0893 0.0893 3.6965 3.6965 3.6965 3.6965 5.9591 5.9591 5.9591 5.9591 6.5064 6.5064 6.5064 6.5064 8.1875 8.1875 8.1875 8.1875 8.9949 8.9949 8.9949 8.9949 10.2641 10.2641 10.2641 10.2641 11.4087 11.4087 11.4087 11.4087 k = 0.0000 0.5000 0.1656 ( 5184 PWs) bands (ev): -2.4522 -2.4522 -2.4522 -2.4522 0.0830 0.0830 0.0830 0.0830 3.7299 3.7299 3.7299 3.7299 5.9055 5.9055 5.9055 5.9055 6.4994 6.4994 6.4994 6.4994 8.2057 8.2057 8.2057 8.2057 9.0133 9.0133 9.0133 9.0133 10.2885 10.2885 10.2885 10.2885 11.3623 11.3623 11.3623 11.3623 k = 0.0000 0.5000 0.1775 ( 5188 PWs) bands (ev): -2.4513 -2.4513 -2.4513 -2.4513 0.0777 0.0777 0.0777 0.0777 3.7596 3.7596 3.7596 3.7596 5.8586 5.8586 5.8586 5.8586 6.4941 6.4941 6.4941 6.4941 8.2203 8.2203 8.2203 8.2203 9.0294 9.0294 9.0294 9.0294 10.3100 10.3100 10.3100 10.3100 11.3230 11.3230 11.3230 11.3230 k = 0.0000 0.5000 0.1893 ( 5186 PWs) bands (ev): -2.4506 -2.4506 -2.4506 -2.4506 0.0733 0.0733 0.0733 0.0733 3.7843 3.7843 3.7843 3.7843 5.8202 5.8202 5.8202 5.8202 6.4901 6.4901 6.4901 6.4901 8.2315 8.2315 8.2315 8.2315 9.0427 9.0427 9.0427 9.0427 10.3276 10.3276 10.3276 10.3276 11.2917 11.2917 11.2917 11.2917 k = 0.0000 0.5000 0.2011 ( 5180 PWs) bands (ev): -2.4501 -2.4501 -2.4501 -2.4501 0.0702 0.0702 0.0702 0.0702 3.8028 3.8028 3.8028 3.8028 5.7917 5.7917 5.7917 5.7917 6.4874 6.4874 6.4874 6.4874 8.2393 8.2393 8.2393 8.2393 9.0526 9.0526 9.0526 9.0526 10.3407 10.3407 10.3407 10.3407 11.2689 11.2689 11.2689 11.2689 k = 0.0000 0.5000 0.2130 ( 5178 PWs) bands (ev): -2.4497 -2.4497 -2.4497 -2.4497 0.0683 0.0683 0.0683 0.0683 3.8144 3.8144 3.8144 3.8144 5.7741 5.7741 5.7741 5.7741 6.4857 6.4857 6.4857 6.4857 8.2440 8.2440 8.2440 8.2440 9.0587 9.0587 9.0587 9.0587 10.3488 10.3488 10.3488 10.3488 11.2550 11.2550 11.2550 11.2550 k = 0.0000 0.5000 0.2248 ( 5172 PWs) bands (ev): -2.4496 -2.4496 -2.4496 -2.4496 0.0676 0.0676 0.0676 0.0676 3.8183 3.8183 3.8183 3.8183 5.7682 5.7682 5.7682 5.7682 6.4852 6.4852 6.4852 6.4852 8.2455 8.2455 8.2455 8.2455 9.0608 9.0608 9.0608 9.0608 10.3515 10.3515 10.3515 10.3515 11.2504 11.2504 11.2504 11.2504 k = 0.5000 0.5000-0.0000 ( 5224 PWs) bands (ev): -2.0505 -2.0505 -2.0505 -2.0505 1.4143 1.4143 1.4143 1.4143 3.6021 3.6021 3.6021 3.6021 4.3379 4.3379 4.3379 4.3379 5.6737 5.6737 5.6737 5.6737 6.0272 6.0272 6.0272 6.0272 7.4346 7.4346 7.4346 7.4346 11.7833 11.7833 11.7833 11.7833 11.8873 11.8873 11.8873 11.8873 k = 0.5000 0.5000 0.0118 ( 5208 PWs) bands (ev): -2.0504 -2.0504 -2.0504 -2.0504 1.4143 1.4143 1.4143 1.4143 3.6020 3.6020 3.6020 3.6020 4.3349 4.3349 4.3349 4.3349 5.6762 5.6762 5.6762 5.6762 6.0301 6.0301 6.0301 6.0301 7.4344 7.4344 7.4344 7.4344 11.7831 11.7831 11.7831 11.7831 11.8840 11.8840 11.8840 11.8840 k = 0.5000 0.5000 0.0237 ( 5200 PWs) bands (ev): -2.0503 -2.0503 -2.0503 -2.0503 1.4143 1.4143 1.4143 1.4143 3.6018 3.6018 3.6018 3.6018 4.3264 4.3264 4.3264 4.3264 5.6835 5.6835 5.6835 5.6835 6.0390 6.0390 6.0390 6.0390 7.4336 7.4336 7.4336 7.4336 11.7825 11.7825 11.7825 11.7825 11.8737 11.8737 11.8737 11.8737 k = 0.5000 0.5000 0.0355 ( 5220 PWs) bands (ev): -2.0501 -2.0501 -2.0501 -2.0501 1.4143 1.4143 1.4143 1.4143 3.6015 3.6015 3.6015 3.6015 4.3126 4.3126 4.3126 4.3126 5.6947 5.6947 5.6947 5.6947 6.0540 6.0540 6.0540 6.0540 7.4324 7.4324 7.4324 7.4324 11.7809 11.7809 11.7809 11.7809 11.8558 11.8558 11.8558 11.8558 k = 0.5000 0.5000 0.0473 ( 5212 PWs) bands (ev): -2.0498 -2.0498 -2.0498 -2.0498 1.4142 1.4142 1.4142 1.4142 3.6010 3.6010 3.6010 3.6010 4.2945 4.2945 4.2945 4.2945 5.7084 5.7084 5.7084 5.7084 6.0754 6.0754 6.0754 6.0754 7.4308 7.4308 7.4308 7.4308 11.7766 11.7766 11.7766 11.7766 11.8302 11.8302 11.8302 11.8302 k = 0.5000 0.5000 0.0592 ( 5212 PWs) bands (ev): -2.0495 -2.0495 -2.0495 -2.0495 1.4142 1.4142 1.4142 1.4142 3.6004 3.6004 3.6004 3.6004 4.2730 4.2730 4.2730 4.2730 5.7234 5.7234 5.7234 5.7234 6.1034 6.1034 6.1034 6.1034 7.4288 7.4288 7.4288 7.4288 11.7595 11.7595 11.7595 11.7595 11.8048 11.8048 11.8048 11.8048 k = 0.5000 0.5000 0.0710 ( 5196 PWs) bands (ev): -2.0491 -2.0491 -2.0491 -2.0491 1.4141 1.4141 1.4141 1.4141 3.5996 3.5996 3.5996 3.5996 4.2489 4.2489 4.2489 4.2489 5.7385 5.7385 5.7385 5.7385 6.1378 6.1378 6.1378 6.1378 7.4264 7.4264 7.4264 7.4264 11.7136 11.7136 11.7136 11.7136 11.7943 11.7943 11.7943 11.7943 k = 0.5000 0.5000 0.0828 ( 5180 PWs) bands (ev): -2.0486 -2.0486 -2.0486 -2.0486 1.4141 1.4141 1.4141 1.4141 3.5988 3.5988 3.5988 3.5988 4.2234 4.2234 4.2234 4.2234 5.7527 5.7527 5.7527 5.7527 6.1781 6.1781 6.1781 6.1781 7.4237 7.4237 7.4237 7.4237 11.6469 11.6469 11.6469 11.6469 11.7912 11.7912 11.7912 11.7912 k = 0.5000 0.5000 0.0946 ( 5164 PWs) bands (ev): -2.0481 -2.0481 -2.0481 -2.0481 1.4140 1.4140 1.4140 1.4140 3.5978 3.5978 3.5978 3.5978 4.1972 4.1972 4.1972 4.1972 5.7656 5.7656 5.7656 5.7656 6.2231 6.2231 6.2231 6.2231 7.4209 7.4209 7.4209 7.4209 11.5675 11.5675 11.5675 11.5675 11.7898 11.7898 11.7898 11.7898 k = 0.5000 0.5000 0.1065 ( 5160 PWs) bands (ev): -2.0476 -2.0476 -2.0476 -2.0476 1.4139 1.4139 1.4139 1.4139 3.5968 3.5968 3.5968 3.5968 4.1712 4.1712 4.1712 4.1712 5.7770 5.7770 5.7770 5.7770 6.2716 6.2716 6.2716 6.2716 7.4179 7.4179 7.4179 7.4179 11.4801 11.4801 11.4801 11.4801 11.7891 11.7891 11.7891 11.7891 k = 0.5000 0.5000 0.1183 ( 5152 PWs) bands (ev): -2.0471 -2.0471 -2.0471 -2.0471 1.4139 1.4139 1.4139 1.4139 3.5957 3.5957 3.5957 3.5957 4.1461 4.1461 4.1461 4.1461 5.7869 5.7869 5.7869 5.7869 6.3221 6.3221 6.3221 6.3221 7.4149 7.4149 7.4149 7.4149 11.3893 11.3893 11.3893 11.3893 11.7887 11.7887 11.7887 11.7887 k = 0.5000 0.5000 0.1301 ( 5152 PWs) bands (ev): -2.0466 -2.0466 -2.0466 -2.0466 1.4138 1.4138 1.4138 1.4138 3.5946 3.5946 3.5946 3.5946 4.1223 4.1223 4.1223 4.1223 5.7955 5.7955 5.7955 5.7955 6.3730 6.3730 6.3730 6.3730 7.4119 7.4119 7.4119 7.4119 11.2987 11.2987 11.2987 11.2987 11.7885 11.7885 11.7885 11.7885 k = 0.5000 0.5000 0.1420 ( 5168 PWs) bands (ev): -2.0462 -2.0462 -2.0462 -2.0462 1.4137 1.4137 1.4137 1.4137 3.5934 3.5934 3.5934 3.5934 4.1005 4.1005 4.1005 4.1005 5.8028 5.8028 5.8028 5.8028 6.4228 6.4228 6.4228 6.4228 7.4090 7.4090 7.4090 7.4090 11.2117 11.2117 11.2117 11.2117 11.7883 11.7883 11.7883 11.7883 k = 0.5000 0.5000 0.1538 ( 5172 PWs) bands (ev): -2.0457 -2.0457 -2.0457 -2.0457 1.4137 1.4137 1.4137 1.4137 3.5923 3.5923 3.5923 3.5923 4.0809 4.0809 4.0809 4.0809 5.8090 5.8090 5.8090 5.8090 6.4698 6.4698 6.4698 6.4698 7.4063 7.4063 7.4063 7.4063 11.1308 11.1308 11.1308 11.1308 11.7881 11.7881 11.7881 11.7881 k = 0.5000 0.5000 0.1656 ( 5172 PWs) bands (ev): -2.0453 -2.0453 -2.0453 -2.0453 1.4136 1.4136 1.4136 1.4136 3.5913 3.5913 3.5913 3.5913 4.0639 4.0639 4.0639 4.0639 5.8141 5.8141 5.8141 5.8141 6.5126 6.5126 6.5126 6.5126 7.4039 7.4039 7.4039 7.4039 11.0584 11.0584 11.0584 11.0584 11.7880 11.7880 11.7880 11.7880 k = 0.5000 0.5000 0.1775 ( 5164 PWs) bands (ev): -2.0450 -2.0450 -2.0450 -2.0450 1.4136 1.4136 1.4136 1.4136 3.5904 3.5904 3.5904 3.5904 4.0497 4.0497 4.0497 4.0497 5.8182 5.8182 5.8182 5.8182 6.5498 6.5498 6.5498 6.5498 7.4018 7.4018 7.4018 7.4018 10.9964 10.9964 10.9964 10.9964 11.7879 11.7879 11.7879 11.7879 k = 0.5000 0.5000 0.1893 ( 5160 PWs) bands (ev): -2.0447 -2.0447 -2.0447 -2.0447 1.4135 1.4135 1.4135 1.4135 3.5896 3.5896 3.5896 3.5896 4.0385 4.0385 4.0385 4.0385 5.8214 5.8214 5.8214 5.8214 6.5802 6.5802 6.5802 6.5802 7.4002 7.4002 7.4002 7.4002 10.9464 10.9464 10.9464 10.9464 11.7879 11.7879 11.7879 11.7879 k = 0.5000 0.5000 0.2011 ( 5164 PWs) bands (ev): -2.0445 -2.0445 -2.0445 -2.0445 1.4135 1.4135 1.4135 1.4135 3.5891 3.5891 3.5891 3.5891 4.0304 4.0304 4.0304 4.0304 5.8237 5.8237 5.8237 5.8237 6.6028 6.6028 6.6028 6.6028 7.3990 7.3990 7.3990 7.3990 10.9097 10.9097 10.9097 10.9097 11.7879 11.7879 11.7879 11.7879 k = 0.5000 0.5000 0.2130 ( 5172 PWs) bands (ev): -2.0443 -2.0443 -2.0443 -2.0443 1.4135 1.4135 1.4135 1.4135 3.5887 3.5887 3.5887 3.5887 4.0255 4.0255 4.0255 4.0255 5.8250 5.8250 5.8250 5.8250 6.6166 6.6166 6.6166 6.6166 7.3982 7.3982 7.3982 7.3982 10.8873 10.8873 10.8873 10.8873 11.7878 11.7878 11.7878 11.7878 k = 0.5000 0.5000 0.2248 ( 5184 PWs) bands (ev): -2.0443 -2.0443 -2.0443 -2.0443 1.4135 1.4135 1.4135 1.4135 3.5886 3.5886 3.5886 3.5886 4.0238 4.0238 4.0238 4.0238 5.8255 5.8255 5.8255 5.8255 6.6213 6.6213 6.6213 6.6213 7.3980 7.3980 7.3980 7.3980 10.8798 10.8798 10.8798 10.8798 11.7878 11.7878 11.7878 11.7878 Writing output data file ZrGeTe.save init_run : 0.16s CPU 1.44s WALL ( 1 calls) electrons : 160.71s CPU 163.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 160.70s CPU 163.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 346 calls) cegterg : 146.06s CPU 148.07s WALL ( 692 calls) Called by sum_band: Called by *egterg: h_psi : 88.43s CPU 89.77s WALL ( 10768 calls) s_psi : 8.53s CPU 8.63s WALL ( 10768 calls) g_psi : 0.31s CPU 0.30s WALL ( 9730 calls) cdiaghg : 44.32s CPU 44.98s WALL ( 10076 calls) cegterg:over : 5.32s CPU 5.64s WALL ( 9730 calls) cegterg:upda : 5.28s CPU 5.36s WALL ( 9730 calls) cegterg:last : 2.90s CPU 2.78s WALL ( 1791 calls) cdiaghg:chol : 2.48s CPU 2.57s WALL ( 10076 calls) cdiaghg:inve : 1.21s CPU 1.26s WALL ( 10076 calls) cdiaghg:para : 2.66s CPU 2.60s WALL ( 20152 calls) Called by h_psi: h_psi:vloc : 77.19s CPU 78.41s WALL ( 10768 calls) h_psi:vnl : 10.98s CPU 11.10s WALL ( 10768 calls) add_vuspsi : 5.47s CPU 5.42s WALL ( 10768 calls) General routines calbec : 5.47s CPU 5.66s WALL ( 10768 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 72.88s CPU 73.98s WALL ( 831632 calls) davcio : 0.24s CPU 0.20s WALL ( 692 calls) Parallel routines fft_scatter : 25.33s CPU 25.87s WALL ( 831647 calls) PWSCF : 2m54.46s CPU 3m 8.51s WALL This run was terminated on: 18:56:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=