Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrGe.save/ 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 33 33 9 1329 1329 207 Max 34 34 10 1336 1336 214 Sum 1197 1197 349 47941 47941 7581 bravais-lattice index = 14 lattice parameter (alat) = 7.3699 a.u. unit-cell volume = 1002.9269 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 7.369931 celldm(2)= 1.382051 celldm(3)= 1.812821 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 1.382051 0.000000 ) a(3) = ( 0.000000 0.000000 1.812821 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.723562 -0.000000 ) b(3) = ( 0.000000 0.000000 0.551627 ) 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 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 = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0025773 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0025773 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0025773 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0025773 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0025773 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0025773 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025773 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0025773 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0025773 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0025773 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0025773 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0025773 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0025773 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0025773 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0025773 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0025773 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0025773 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0025773 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0025773 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0025773 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0025773 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0025773 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0025773 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0025773 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0025773 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0025773 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0025773 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0025773 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0025773 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0025773 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025773 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025773 k( 44) = ( 0.5000000 0.0120594 -0.0000000), wk = 0.0025773 k( 45) = ( 0.5000000 0.0241187 -0.0000000), wk = 0.0025773 k( 46) = ( 0.5000000 0.0361781 -0.0000000), wk = 0.0025773 k( 47) = ( 0.5000000 0.0482375 -0.0000000), wk = 0.0025773 k( 48) = ( 0.5000000 0.0602968 -0.0000000), wk = 0.0025773 k( 49) = ( 0.5000000 0.0723562 -0.0000000), wk = 0.0025773 k( 50) = ( 0.5000000 0.0844156 -0.0000000), wk = 0.0025773 k( 51) = ( 0.5000000 0.0964750 -0.0000000), wk = 0.0025773 k( 52) = ( 0.5000000 0.1085343 -0.0000000), wk = 0.0025773 k( 53) = ( 0.5000000 0.1205937 -0.0000000), wk = 0.0025773 k( 54) = ( 0.5000000 0.1326531 -0.0000000), wk = 0.0025773 k( 55) = ( 0.5000000 0.1447124 -0.0000000), wk = 0.0025773 k( 56) = ( 0.5000000 0.1567718 -0.0000000), wk = 0.0025773 k( 57) = ( 0.5000000 0.1688312 -0.0000000), wk = 0.0025773 k( 58) = ( 0.5000000 0.1808905 -0.0000000), wk = 0.0025773 k( 59) = ( 0.5000000 0.1929499 -0.0000000), wk = 0.0025773 k( 60) = ( 0.5000000 0.2050093 -0.0000000), wk = 0.0025773 k( 61) = ( 0.5000000 0.2170686 -0.0000000), wk = 0.0025773 k( 62) = ( 0.5000000 0.2291280 -0.0000000), wk = 0.0025773 k( 63) = ( 0.5000000 0.2411874 -0.0000000), wk = 0.0025773 k( 64) = ( 0.5000000 0.2532468 -0.0000000), wk = 0.0025773 k( 65) = ( 0.5000000 0.2653061 -0.0000000), wk = 0.0025773 k( 66) = ( 0.5000000 0.2773655 -0.0000000), wk = 0.0025773 k( 67) = ( 0.5000000 0.2894249 -0.0000000), wk = 0.0025773 k( 68) = ( 0.5000000 0.3014842 -0.0000000), wk = 0.0025773 k( 69) = ( 0.5000000 0.3135436 -0.0000000), wk = 0.0025773 k( 70) = ( 0.5000000 0.3256030 -0.0000000), wk = 0.0025773 k( 71) = ( 0.5000000 0.3376623 -0.0000000), wk = 0.0025773 k( 72) = ( 0.5000000 0.3497217 -0.0000000), wk = 0.0025773 k( 73) = ( 0.5000000 0.3617811 -0.0000000), wk = 0.0025773 k( 74) = ( 0.5000000 0.3617811 -0.0000000), wk = 0.0025773 k( 75) = ( 0.4878049 0.3617811 -0.0000000), wk = 0.0025773 k( 76) = ( 0.4756098 0.3617811 -0.0000000), wk = 0.0025773 k( 77) = ( 0.4634146 0.3617811 -0.0000000), wk = 0.0025773 k( 78) = ( 0.4512195 0.3617811 -0.0000000), wk = 0.0025773 k( 79) = ( 0.4390244 0.3617811 -0.0000000), wk = 0.0025773 k( 80) = ( 0.4268293 0.3617811 -0.0000000), wk = 0.0025773 k( 81) = ( 0.4146341 0.3617811 -0.0000000), wk = 0.0025773 k( 82) = ( 0.4024390 0.3617811 -0.0000000), wk = 0.0025773 k( 83) = ( 0.3902439 0.3617811 -0.0000000), wk = 0.0025773 k( 84) = ( 0.3780488 0.3617811 -0.0000000), wk = 0.0025773 k( 85) = ( 0.3658537 0.3617811 -0.0000000), wk = 0.0025773 k( 86) = ( 0.3536585 0.3617811 -0.0000000), wk = 0.0025773 k( 87) = ( 0.3414634 0.3617811 -0.0000000), wk = 0.0025773 k( 88) = ( 0.3292683 0.3617811 -0.0000000), wk = 0.0025773 k( 89) = ( 0.3170732 0.3617811 -0.0000000), wk = 0.0025773 k( 90) = ( 0.3048781 0.3617811 -0.0000000), wk = 0.0025773 k( 91) = ( 0.2926829 0.3617811 -0.0000000), wk = 0.0025773 k( 92) = ( 0.2804878 0.3617811 -0.0000000), wk = 0.0025773 k( 93) = ( 0.2682927 0.3617811 -0.0000000), wk = 0.0025773 k( 94) = ( 0.2560976 0.3617811 -0.0000000), wk = 0.0025773 k( 95) = ( 0.2439024 0.3617811 -0.0000000), wk = 0.0025773 k( 96) = ( 0.2317073 0.3617811 -0.0000000), wk = 0.0025773 k( 97) = ( 0.2195122 0.3617811 -0.0000000), wk = 0.0025773 k( 98) = ( 0.2073171 0.3617811 -0.0000000), wk = 0.0025773 k( 99) = ( 0.1951219 0.3617811 -0.0000000), wk = 0.0025773 k( 100) = ( 0.1829268 0.3617811 -0.0000000), wk = 0.0025773 k( 101) = ( 0.1707317 0.3617811 -0.0000000), wk = 0.0025773 k( 102) = ( 0.1585366 0.3617811 -0.0000000), wk = 0.0025773 k( 103) = ( 0.1463415 0.3617811 -0.0000000), wk = 0.0025773 k( 104) = ( 0.1341463 0.3617811 -0.0000000), wk = 0.0025773 k( 105) = ( 0.1219512 0.3617811 -0.0000000), wk = 0.0025773 k( 106) = ( 0.1097561 0.3617811 -0.0000000), wk = 0.0025773 k( 107) = ( 0.0975610 0.3617811 -0.0000000), wk = 0.0025773 k( 108) = ( 0.0853658 0.3617811 -0.0000000), wk = 0.0025773 k( 109) = ( 0.0731707 0.3617811 -0.0000000), wk = 0.0025773 k( 110) = ( 0.0609756 0.3617811 -0.0000000), wk = 0.0025773 k( 111) = ( 0.0487805 0.3617811 -0.0000000), wk = 0.0025773 k( 112) = ( 0.0365854 0.3617811 -0.0000000), wk = 0.0025773 k( 113) = ( 0.0243902 0.3617811 -0.0000000), wk = 0.0025773 k( 114) = ( 0.0121951 0.3617811 -0.0000000), wk = 0.0025773 k( 115) = ( 0.0000000 0.3617811 -0.0000000), wk = 0.0025773 k( 116) = ( 0.0000000 0.3617811 -0.0000000), wk = 0.0025773 k( 117) = ( 0.0000000 0.3497217 -0.0000000), wk = 0.0025773 k( 118) = ( 0.0000000 0.3376623 -0.0000000), wk = 0.0025773 k( 119) = ( 0.0000000 0.3256030 -0.0000000), wk = 0.0025773 k( 120) = ( 0.0000000 0.3135436 -0.0000000), wk = 0.0025773 k( 121) = ( 0.0000000 0.3014842 -0.0000000), wk = 0.0025773 k( 122) = ( 0.0000000 0.2894249 -0.0000000), wk = 0.0025773 k( 123) = ( 0.0000000 0.2773655 -0.0000000), wk = 0.0025773 k( 124) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0025773 k( 125) = ( 0.0000000 0.2532468 -0.0000000), wk = 0.0025773 k( 126) = ( 0.0000000 0.2411874 -0.0000000), wk = 0.0025773 k( 127) = ( 0.0000000 0.2291280 -0.0000000), wk = 0.0025773 k( 128) = ( 0.0000000 0.2170686 -0.0000000), wk = 0.0025773 k( 129) = ( 0.0000000 0.2050093 -0.0000000), wk = 0.0025773 k( 130) = ( 0.0000000 0.1929499 -0.0000000), wk = 0.0025773 k( 131) = ( 0.0000000 0.1808905 -0.0000000), wk = 0.0025773 k( 132) = ( 0.0000000 0.1688312 -0.0000000), wk = 0.0025773 k( 133) = ( 0.0000000 0.1567718 -0.0000000), wk = 0.0025773 k( 134) = ( 0.0000000 0.1447124 -0.0000000), wk = 0.0025773 k( 135) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0025773 k( 136) = ( 0.0000000 0.1205937 -0.0000000), wk = 0.0025773 k( 137) = ( 0.0000000 0.1085343 -0.0000000), wk = 0.0025773 k( 138) = ( 0.0000000 0.0964750 -0.0000000), wk = 0.0025773 k( 139) = ( 0.0000000 0.0844156 -0.0000000), wk = 0.0025773 k( 140) = ( 0.0000000 0.0723562 -0.0000000), wk = 0.0025773 k( 141) = ( 0.0000000 0.0602968 -0.0000000), wk = 0.0025773 k( 142) = ( 0.0000000 0.0482375 -0.0000000), wk = 0.0025773 k( 143) = ( 0.0000000 0.0361781 -0.0000000), wk = 0.0025773 k( 144) = ( 0.0000000 0.0241187 -0.0000000), wk = 0.0025773 k( 145) = ( 0.0000000 0.0120594 -0.0000000), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 148) = ( 0.0000000 0.0000000 0.0119919), wk = 0.0025773 k( 149) = ( 0.0000000 0.0000000 0.0239838), wk = 0.0025773 k( 150) = ( 0.0000000 0.0000000 0.0359756), wk = 0.0025773 k( 151) = ( 0.0000000 0.0000000 0.0479675), wk = 0.0025773 k( 152) = ( 0.0000000 0.0000000 0.0599594), wk = 0.0025773 k( 153) = ( 0.0000000 0.0000000 0.0719513), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.0839432), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.0959351), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.1079269), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.1199188), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.1319107), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.1439026), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.1558945), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.1678864), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.1798782), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.1918701), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.2038620), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.2158539), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.2278458), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.2398376), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.2518295), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.2638214), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.2758133), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.2758133), wk = 0.0025773 k( 172) = ( 0.0121951 -0.0000000 0.2758133), wk = 0.0025773 k( 173) = ( 0.0243902 -0.0000000 0.2758133), wk = 0.0025773 k( 174) = ( 0.0365854 -0.0000000 0.2758133), wk = 0.0025773 k( 175) = ( 0.0487805 -0.0000000 0.2758133), wk = 0.0025773 k( 176) = ( 0.0609756 -0.0000000 0.2758133), wk = 0.0025773 k( 177) = ( 0.0731707 -0.0000000 0.2758133), wk = 0.0025773 k( 178) = ( 0.0853658 -0.0000000 0.2758133), wk = 0.0025773 k( 179) = ( 0.0975610 -0.0000000 0.2758133), wk = 0.0025773 k( 180) = ( 0.1097561 -0.0000000 0.2758133), wk = 0.0025773 k( 181) = ( 0.1219512 -0.0000000 0.2758133), wk = 0.0025773 k( 182) = ( 0.1341463 -0.0000000 0.2758133), wk = 0.0025773 k( 183) = ( 0.1463415 -0.0000000 0.2758133), wk = 0.0025773 k( 184) = ( 0.1585366 -0.0000000 0.2758133), wk = 0.0025773 k( 185) = ( 0.1707317 -0.0000000 0.2758133), wk = 0.0025773 k( 186) = ( 0.1829268 -0.0000000 0.2758133), wk = 0.0025773 k( 187) = ( 0.1951219 -0.0000000 0.2758133), wk = 0.0025773 k( 188) = ( 0.2073171 -0.0000000 0.2758133), wk = 0.0025773 k( 189) = ( 0.2195122 -0.0000000 0.2758133), wk = 0.0025773 k( 190) = ( 0.2317073 -0.0000000 0.2758133), wk = 0.0025773 k( 191) = ( 0.2439024 -0.0000000 0.2758133), wk = 0.0025773 k( 192) = ( 0.2560976 -0.0000000 0.2758133), wk = 0.0025773 k( 193) = ( 0.2682927 -0.0000000 0.2758133), wk = 0.0025773 k( 194) = ( 0.2804878 -0.0000000 0.2758133), wk = 0.0025773 k( 195) = ( 0.2926829 -0.0000000 0.2758133), wk = 0.0025773 k( 196) = ( 0.3048781 -0.0000000 0.2758133), wk = 0.0025773 k( 197) = ( 0.3170732 -0.0000000 0.2758133), wk = 0.0025773 k( 198) = ( 0.3292683 -0.0000000 0.2758133), wk = 0.0025773 k( 199) = ( 0.3414634 -0.0000000 0.2758133), wk = 0.0025773 k( 200) = ( 0.3536585 -0.0000000 0.2758133), wk = 0.0025773 k( 201) = ( 0.3658537 -0.0000000 0.2758133), wk = 0.0025773 k( 202) = ( 0.3780488 -0.0000000 0.2758133), wk = 0.0025773 k( 203) = ( 0.3902439 -0.0000000 0.2758133), wk = 0.0025773 k( 204) = ( 0.4024390 -0.0000000 0.2758133), wk = 0.0025773 k( 205) = ( 0.4146341 -0.0000000 0.2758133), wk = 0.0025773 k( 206) = ( 0.4268293 -0.0000000 0.2758133), wk = 0.0025773 k( 207) = ( 0.4390244 -0.0000000 0.2758133), wk = 0.0025773 k( 208) = ( 0.4512195 -0.0000000 0.2758133), wk = 0.0025773 k( 209) = ( 0.4634146 -0.0000000 0.2758133), wk = 0.0025773 k( 210) = ( 0.4756098 -0.0000000 0.2758133), wk = 0.0025773 k( 211) = ( 0.4878049 -0.0000000 0.2758133), wk = 0.0025773 k( 212) = ( 0.5000000 -0.0000000 0.2758133), wk = 0.0025773 k( 213) = ( 0.5000000 -0.0000000 0.2758133), wk = 0.0025773 k( 214) = ( 0.5000000 0.0120594 0.2758133), wk = 0.0025773 k( 215) = ( 0.5000000 0.0241187 0.2758133), wk = 0.0025773 k( 216) = ( 0.5000000 0.0361781 0.2758133), wk = 0.0025773 k( 217) = ( 0.5000000 0.0482375 0.2758133), wk = 0.0025773 k( 218) = ( 0.5000000 0.0602968 0.2758133), wk = 0.0025773 k( 219) = ( 0.5000000 0.0723562 0.2758133), wk = 0.0025773 k( 220) = ( 0.5000000 0.0844156 0.2758133), wk = 0.0025773 k( 221) = ( 0.5000000 0.0964750 0.2758133), wk = 0.0025773 k( 222) = ( 0.5000000 0.1085343 0.2758133), wk = 0.0025773 k( 223) = ( 0.5000000 0.1205937 0.2758133), wk = 0.0025773 k( 224) = ( 0.5000000 0.1326531 0.2758133), wk = 0.0025773 k( 225) = ( 0.5000000 0.1447124 0.2758133), wk = 0.0025773 k( 226) = ( 0.5000000 0.1567718 0.2758133), wk = 0.0025773 k( 227) = ( 0.5000000 0.1688312 0.2758133), wk = 0.0025773 k( 228) = ( 0.5000000 0.1808905 0.2758133), wk = 0.0025773 k( 229) = ( 0.5000000 0.1929499 0.2758133), wk = 0.0025773 k( 230) = ( 0.5000000 0.2050093 0.2758133), wk = 0.0025773 k( 231) = ( 0.5000000 0.2170686 0.2758133), wk = 0.0025773 k( 232) = ( 0.5000000 0.2291280 0.2758133), wk = 0.0025773 k( 233) = ( 0.5000000 0.2411874 0.2758133), wk = 0.0025773 k( 234) = ( 0.5000000 0.2532468 0.2758133), wk = 0.0025773 k( 235) = ( 0.5000000 0.2653061 0.2758133), wk = 0.0025773 k( 236) = ( 0.5000000 0.2773655 0.2758133), wk = 0.0025773 k( 237) = ( 0.5000000 0.2894249 0.2758133), wk = 0.0025773 k( 238) = ( 0.5000000 0.3014842 0.2758133), wk = 0.0025773 k( 239) = ( 0.5000000 0.3135436 0.2758133), wk = 0.0025773 k( 240) = ( 0.5000000 0.3256030 0.2758133), wk = 0.0025773 k( 241) = ( 0.5000000 0.3376623 0.2758133), wk = 0.0025773 k( 242) = ( 0.5000000 0.3497217 0.2758133), wk = 0.0025773 k( 243) = ( 0.5000000 0.3617811 0.2758133), wk = 0.0025773 k( 244) = ( 0.5000000 0.3617811 0.2758133), wk = 0.0025773 k( 245) = ( 0.4878049 0.3617811 0.2758133), wk = 0.0025773 k( 246) = ( 0.4756098 0.3617811 0.2758133), wk = 0.0025773 k( 247) = ( 0.4634146 0.3617811 0.2758133), wk = 0.0025773 k( 248) = ( 0.4512195 0.3617811 0.2758133), wk = 0.0025773 k( 249) = ( 0.4390244 0.3617811 0.2758133), wk = 0.0025773 k( 250) = ( 0.4268293 0.3617811 0.2758133), wk = 0.0025773 k( 251) = ( 0.4146341 0.3617811 0.2758133), wk = 0.0025773 k( 252) = ( 0.4024390 0.3617811 0.2758133), wk = 0.0025773 k( 253) = ( 0.3902439 0.3617811 0.2758133), wk = 0.0025773 k( 254) = ( 0.3780488 0.3617811 0.2758133), wk = 0.0025773 k( 255) = ( 0.3658537 0.3617811 0.2758133), wk = 0.0025773 k( 256) = ( 0.3536585 0.3617811 0.2758133), wk = 0.0025773 k( 257) = ( 0.3414634 0.3617811 0.2758133), wk = 0.0025773 k( 258) = ( 0.3292683 0.3617811 0.2758133), wk = 0.0025773 k( 259) = ( 0.3170732 0.3617811 0.2758133), wk = 0.0025773 k( 260) = ( 0.3048781 0.3617811 0.2758133), wk = 0.0025773 k( 261) = ( 0.2926829 0.3617811 0.2758133), wk = 0.0025773 k( 262) = ( 0.2804878 0.3617811 0.2758133), wk = 0.0025773 k( 263) = ( 0.2682927 0.3617811 0.2758133), wk = 0.0025773 k( 264) = ( 0.2560976 0.3617811 0.2758133), wk = 0.0025773 k( 265) = ( 0.2439024 0.3617811 0.2758133), wk = 0.0025773 k( 266) = ( 0.2317073 0.3617811 0.2758133), wk = 0.0025773 k( 267) = ( 0.2195122 0.3617811 0.2758133), wk = 0.0025773 k( 268) = ( 0.2073171 0.3617811 0.2758133), wk = 0.0025773 k( 269) = ( 0.1951219 0.3617811 0.2758133), wk = 0.0025773 k( 270) = ( 0.1829268 0.3617811 0.2758133), wk = 0.0025773 k( 271) = ( 0.1707317 0.3617811 0.2758133), wk = 0.0025773 k( 272) = ( 0.1585366 0.3617811 0.2758133), wk = 0.0025773 k( 273) = ( 0.1463415 0.3617811 0.2758133), wk = 0.0025773 k( 274) = ( 0.1341463 0.3617811 0.2758133), wk = 0.0025773 k( 275) = ( 0.1219512 0.3617811 0.2758133), wk = 0.0025773 k( 276) = ( 0.1097561 0.3617811 0.2758133), wk = 0.0025773 k( 277) = ( 0.0975610 0.3617811 0.2758133), wk = 0.0025773 k( 278) = ( 0.0853658 0.3617811 0.2758133), wk = 0.0025773 k( 279) = ( 0.0731707 0.3617811 0.2758133), wk = 0.0025773 k( 280) = ( 0.0609756 0.3617811 0.2758133), wk = 0.0025773 k( 281) = ( 0.0487805 0.3617811 0.2758133), wk = 0.0025773 k( 282) = ( 0.0365854 0.3617811 0.2758133), wk = 0.0025773 k( 283) = ( 0.0243902 0.3617811 0.2758133), wk = 0.0025773 k( 284) = ( 0.0121951 0.3617811 0.2758133), wk = 0.0025773 k( 285) = ( 0.0000000 0.3617811 0.2758133), wk = 0.0025773 k( 286) = ( 0.0000000 0.3617811 0.2758133), wk = 0.0025773 k( 287) = ( 0.0000000 0.3497217 0.2758133), wk = 0.0025773 k( 288) = ( 0.0000000 0.3376623 0.2758133), wk = 0.0025773 k( 289) = ( 0.0000000 0.3256030 0.2758133), wk = 0.0025773 k( 290) = ( 0.0000000 0.3135436 0.2758133), wk = 0.0025773 k( 291) = ( 0.0000000 0.3014842 0.2758133), wk = 0.0025773 k( 292) = ( 0.0000000 0.2894249 0.2758133), wk = 0.0025773 k( 293) = ( 0.0000000 0.2773655 0.2758133), wk = 0.0025773 k( 294) = ( 0.0000000 0.2653061 0.2758133), wk = 0.0025773 k( 295) = ( 0.0000000 0.2532468 0.2758133), wk = 0.0025773 k( 296) = ( 0.0000000 0.2411874 0.2758133), wk = 0.0025773 k( 297) = ( 0.0000000 0.2291280 0.2758133), wk = 0.0025773 k( 298) = ( 0.0000000 0.2170686 0.2758133), wk = 0.0025773 k( 299) = ( 0.0000000 0.2050093 0.2758133), wk = 0.0025773 k( 300) = ( 0.0000000 0.1929499 0.2758133), wk = 0.0025773 k( 301) = ( 0.0000000 0.1808905 0.2758133), wk = 0.0025773 k( 302) = ( 0.0000000 0.1688312 0.2758133), wk = 0.0025773 k( 303) = ( 0.0000000 0.1567718 0.2758133), wk = 0.0025773 k( 304) = ( 0.0000000 0.1447124 0.2758133), wk = 0.0025773 k( 305) = ( 0.0000000 0.1326531 0.2758133), wk = 0.0025773 k( 306) = ( 0.0000000 0.1205937 0.2758133), wk = 0.0025773 k( 307) = ( 0.0000000 0.1085343 0.2758133), wk = 0.0025773 k( 308) = ( 0.0000000 0.0964750 0.2758133), wk = 0.0025773 k( 309) = ( 0.0000000 0.0844156 0.2758133), wk = 0.0025773 k( 310) = ( 0.0000000 0.0723562 0.2758133), wk = 0.0025773 k( 311) = ( 0.0000000 0.0602968 0.2758133), wk = 0.0025773 k( 312) = ( 0.0000000 0.0482375 0.2758133), wk = 0.0025773 k( 313) = ( 0.0000000 0.0361781 0.2758133), wk = 0.0025773 k( 314) = ( 0.0000000 0.0241187 0.2758133), wk = 0.0025773 k( 315) = ( 0.0000000 0.0120594 0.2758133), wk = 0.0025773 k( 316) = ( 0.0000000 0.0000000 0.2758133), wk = 0.0025773 k( 317) = ( 0.0000000 0.3617811 -0.0000000), wk = 0.0025773 k( 318) = ( 0.0000000 0.3617811 0.0119919), wk = 0.0025773 k( 319) = ( 0.0000000 0.3617811 0.0239838), wk = 0.0025773 k( 320) = ( 0.0000000 0.3617811 0.0359756), wk = 0.0025773 k( 321) = ( 0.0000000 0.3617811 0.0479675), wk = 0.0025773 k( 322) = ( 0.0000000 0.3617811 0.0599594), wk = 0.0025773 k( 323) = ( 0.0000000 0.3617811 0.0719513), wk = 0.0025773 k( 324) = ( 0.0000000 0.3617811 0.0839432), wk = 0.0025773 k( 325) = ( 0.0000000 0.3617811 0.0959351), wk = 0.0025773 k( 326) = ( 0.0000000 0.3617811 0.1079269), wk = 0.0025773 k( 327) = ( 0.0000000 0.3617811 0.1199188), wk = 0.0025773 k( 328) = ( 0.0000000 0.3617811 0.1319107), wk = 0.0025773 k( 329) = ( 0.0000000 0.3617811 0.1439026), wk = 0.0025773 k( 330) = ( 0.0000000 0.3617811 0.1558945), wk = 0.0025773 k( 331) = ( 0.0000000 0.3617811 0.1678864), wk = 0.0025773 k( 332) = ( 0.0000000 0.3617811 0.1798782), wk = 0.0025773 k( 333) = ( 0.0000000 0.3617811 0.1918701), wk = 0.0025773 k( 334) = ( 0.0000000 0.3617811 0.2038620), wk = 0.0025773 k( 335) = ( 0.0000000 0.3617811 0.2158539), wk = 0.0025773 k( 336) = ( 0.0000000 0.3617811 0.2278458), wk = 0.0025773 k( 337) = ( 0.0000000 0.3617811 0.2398376), wk = 0.0025773 k( 338) = ( 0.0000000 0.3617811 0.2518295), wk = 0.0025773 k( 339) = ( 0.0000000 0.3617811 0.2638214), wk = 0.0025773 k( 340) = ( 0.0000000 0.3617811 0.2758133), wk = 0.0025773 k( 341) = ( 0.5000000 -0.0000000 0.2758133), wk = 0.0025773 k( 342) = ( 0.5000000 -0.0000000 0.2638214), wk = 0.0025773 k( 343) = ( 0.5000000 -0.0000000 0.2518295), wk = 0.0025773 k( 344) = ( 0.5000000 -0.0000000 0.2398376), wk = 0.0025773 k( 345) = ( 0.5000000 -0.0000000 0.2278458), wk = 0.0025773 k( 346) = ( 0.5000000 -0.0000000 0.2158539), wk = 0.0025773 k( 347) = ( 0.5000000 -0.0000000 0.2038620), wk = 0.0025773 k( 348) = ( 0.5000000 -0.0000000 0.1918701), wk = 0.0025773 k( 349) = ( 0.5000000 -0.0000000 0.1798782), wk = 0.0025773 k( 350) = ( 0.5000000 -0.0000000 0.1678864), wk = 0.0025773 k( 351) = ( 0.5000000 -0.0000000 0.1558945), wk = 0.0025773 k( 352) = ( 0.5000000 -0.0000000 0.1439026), wk = 0.0025773 k( 353) = ( 0.5000000 -0.0000000 0.1319107), wk = 0.0025773 k( 354) = ( 0.5000000 -0.0000000 0.1199188), wk = 0.0025773 k( 355) = ( 0.5000000 -0.0000000 0.1079269), wk = 0.0025773 k( 356) = ( 0.5000000 -0.0000000 0.0959351), wk = 0.0025773 k( 357) = ( 0.5000000 -0.0000000 0.0839432), wk = 0.0025773 k( 358) = ( 0.5000000 -0.0000000 0.0719513), wk = 0.0025773 k( 359) = ( 0.5000000 -0.0000000 0.0599594), wk = 0.0025773 k( 360) = ( 0.5000000 -0.0000000 0.0479675), wk = 0.0025773 k( 361) = ( 0.5000000 -0.0000000 0.0359756), wk = 0.0025773 k( 362) = ( 0.5000000 -0.0000000 0.0239838), wk = 0.0025773 k( 363) = ( 0.5000000 -0.0000000 0.0119919), wk = 0.0025773 k( 364) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025773 k( 365) = ( 0.5000000 0.3617811 -0.0000000), wk = 0.0025773 k( 366) = ( 0.5000000 0.3617811 0.0119919), wk = 0.0025773 k( 367) = ( 0.5000000 0.3617811 0.0239838), wk = 0.0025773 k( 368) = ( 0.5000000 0.3617811 0.0359756), wk = 0.0025773 k( 369) = ( 0.5000000 0.3617811 0.0479675), wk = 0.0025773 k( 370) = ( 0.5000000 0.3617811 0.0599594), wk = 0.0025773 k( 371) = ( 0.5000000 0.3617811 0.0719513), wk = 0.0025773 k( 372) = ( 0.5000000 0.3617811 0.0839432), wk = 0.0025773 k( 373) = ( 0.5000000 0.3617811 0.0959351), wk = 0.0025773 k( 374) = ( 0.5000000 0.3617811 0.1079269), wk = 0.0025773 k( 375) = ( 0.5000000 0.3617811 0.1199188), wk = 0.0025773 k( 376) = ( 0.5000000 0.3617811 0.1319107), wk = 0.0025773 k( 377) = ( 0.5000000 0.3617811 0.1439026), wk = 0.0025773 k( 378) = ( 0.5000000 0.3617811 0.1558945), wk = 0.0025773 k( 379) = ( 0.5000000 0.3617811 0.1678864), wk = 0.0025773 k( 380) = ( 0.5000000 0.3617811 0.1798782), wk = 0.0025773 k( 381) = ( 0.5000000 0.3617811 0.1918701), wk = 0.0025773 k( 382) = ( 0.5000000 0.3617811 0.2038620), wk = 0.0025773 k( 383) = ( 0.5000000 0.3617811 0.2158539), wk = 0.0025773 k( 384) = ( 0.5000000 0.3617811 0.2278458), wk = 0.0025773 k( 385) = ( 0.5000000 0.3617811 0.2398376), wk = 0.0025773 k( 386) = ( 0.5000000 0.3617811 0.2518295), wk = 0.0025773 k( 387) = ( 0.5000000 0.3617811 0.2638214), wk = 0.0025773 k( 388) = ( 0.5000000 0.3617811 0.2758133), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0025773 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0025773 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0025773 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0025773 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0025773 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0025773 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0025773 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0025773 k( 10) = ( 0.1097561 -0.0000000 0.0000000), wk = 0.0025773 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0025773 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0025773 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0025773 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0025773 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0025773 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0025773 k( 17) = ( 0.1951219 -0.0000000 0.0000000), wk = 0.0025773 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0025773 k( 19) = ( 0.2195122 -0.0000000 0.0000000), wk = 0.0025773 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0025773 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0025773 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0025773 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0025773 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0025773 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0025773 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0025773 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0025773 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0025773 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0025773 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0025773 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0025773 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0025773 k( 33) = ( 0.3902439 -0.0000000 0.0000000), wk = 0.0025773 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0025773 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0025773 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0025773 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0025773 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0025773 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0025773 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0025773 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0025773 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 44) = ( 0.5000000 0.0166667 0.0000000), wk = 0.0025773 k( 45) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0025773 k( 46) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0025773 k( 47) = ( 0.5000000 0.0666667 0.0000000), wk = 0.0025773 k( 48) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0025773 k( 49) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0025773 k( 50) = ( 0.5000000 0.1166667 0.0000000), wk = 0.0025773 k( 51) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0025773 k( 52) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0025773 k( 53) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0025773 k( 54) = ( 0.5000000 0.1833333 0.0000000), wk = 0.0025773 k( 55) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0025773 k( 56) = ( 0.5000000 0.2166667 -0.0000000), wk = 0.0025773 k( 57) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0025773 k( 58) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0025773 k( 59) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0025773 k( 60) = ( 0.5000000 0.2833333 -0.0000000), wk = 0.0025773 k( 61) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0025773 k( 62) = ( 0.5000000 0.3166667 0.0000000), wk = 0.0025773 k( 63) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0025773 k( 64) = ( 0.5000000 0.3500000 -0.0000000), wk = 0.0025773 k( 65) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0025773 k( 66) = ( 0.5000000 0.3833333 0.0000000), wk = 0.0025773 k( 67) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0025773 k( 68) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0025773 k( 69) = ( 0.5000000 0.4333333 0.0000000), wk = 0.0025773 k( 70) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0025773 k( 71) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0025773 k( 72) = ( 0.5000000 0.4833333 0.0000000), wk = 0.0025773 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 75) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0025773 k( 76) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0025773 k( 77) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0025773 k( 78) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0025773 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0025773 k( 80) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0025773 k( 81) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0025773 k( 82) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0025773 k( 83) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0025773 k( 84) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0025773 k( 85) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0025773 k( 86) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0025773 k( 87) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0025773 k( 88) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0025773 k( 89) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0025773 k( 90) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0025773 k( 91) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0025773 k( 92) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0025773 k( 93) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0025773 k( 94) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0025773 k( 95) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0025773 k( 96) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0025773 k( 97) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0025773 k( 98) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0025773 k( 99) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0025773 k( 100) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0025773 k( 101) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0025773 k( 102) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0025773 k( 103) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0025773 k( 104) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0025773 k( 105) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0025773 k( 106) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0025773 k( 107) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0025773 k( 108) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0025773 k( 109) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0025773 k( 110) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0025773 k( 111) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0025773 k( 112) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0025773 k( 113) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0025773 k( 114) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0025773 k( 115) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 116) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 117) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0025773 k( 118) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0025773 k( 119) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0025773 k( 120) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0025773 k( 121) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0025773 k( 122) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025773 k( 123) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0025773 k( 124) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0025773 k( 125) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0025773 k( 126) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025773 k( 127) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0025773 k( 128) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025773 k( 129) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0025773 k( 130) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0025773 k( 131) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025773 k( 132) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0025773 k( 133) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0025773 k( 134) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025773 k( 135) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0025773 k( 136) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025773 k( 137) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0025773 k( 138) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0025773 k( 139) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0025773 k( 140) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025773 k( 141) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0025773 k( 142) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0025773 k( 143) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0025773 k( 144) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0025773 k( 145) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 148) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0025773 k( 149) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0025773 k( 150) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0025773 k( 151) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0025773 k( 152) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0025773 k( 153) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 172) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0025773 k( 173) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0025773 k( 174) = ( 0.0365854 -0.0000000 0.5000000), wk = 0.0025773 k( 175) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0025773 k( 176) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0025773 k( 177) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0025773 k( 178) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0025773 k( 179) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0025773 k( 180) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0025773 k( 181) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0025773 k( 182) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0025773 k( 183) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0025773 k( 184) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0025773 k( 185) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0025773 k( 186) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0025773 k( 187) = ( 0.1951219 -0.0000000 0.5000000), wk = 0.0025773 k( 188) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0025773 k( 189) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0025773 k( 190) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0025773 k( 191) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0025773 k( 192) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0025773 k( 193) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0025773 k( 194) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0025773 k( 195) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0025773 k( 196) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0025773 k( 197) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0025773 k( 198) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0025773 k( 199) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0025773 k( 200) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0025773 k( 201) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0025773 k( 202) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0025773 k( 203) = ( 0.3902439 -0.0000000 0.5000000), wk = 0.0025773 k( 204) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0025773 k( 205) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0025773 k( 206) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0025773 k( 207) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0025773 k( 208) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0025773 k( 209) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0025773 k( 210) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0025773 k( 211) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0025773 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 213) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 214) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0025773 k( 215) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0025773 k( 216) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0025773 k( 217) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0025773 k( 218) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0025773 k( 219) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0025773 k( 220) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0025773 k( 221) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0025773 k( 222) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0025773 k( 223) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0025773 k( 224) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0025773 k( 225) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0025773 k( 226) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0025773 k( 227) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0025773 k( 228) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0025773 k( 229) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0025773 k( 230) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0025773 k( 231) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0025773 k( 232) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0025773 k( 233) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0025773 k( 234) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0025773 k( 235) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0025773 k( 236) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0025773 k( 237) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0025773 k( 238) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0025773 k( 239) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0025773 k( 240) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0025773 k( 241) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0025773 k( 242) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0025773 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 245) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0025773 k( 246) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0025773 k( 247) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0025773 k( 248) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0025773 k( 249) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0025773 k( 250) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0025773 k( 251) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0025773 k( 252) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0025773 k( 253) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0025773 k( 254) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0025773 k( 255) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0025773 k( 256) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0025773 k( 257) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0025773 k( 258) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0025773 k( 259) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0025773 k( 260) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0025773 k( 261) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0025773 k( 262) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0025773 k( 263) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0025773 k( 264) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0025773 k( 265) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0025773 k( 266) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0025773 k( 267) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0025773 k( 268) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0025773 k( 269) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0025773 k( 270) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0025773 k( 271) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0025773 k( 272) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0025773 k( 273) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0025773 k( 274) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0025773 k( 275) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0025773 k( 276) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0025773 k( 277) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0025773 k( 278) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0025773 k( 279) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0025773 k( 280) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0025773 k( 281) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0025773 k( 282) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0025773 k( 283) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0025773 k( 284) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0025773 k( 285) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 286) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 287) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0025773 k( 288) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0025773 k( 289) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025773 k( 290) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0025773 k( 291) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0025773 k( 292) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025773 k( 293) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0025773 k( 294) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0025773 k( 295) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025773 k( 296) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025773 k( 297) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0025773 k( 298) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025773 k( 299) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0025773 k( 300) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0025773 k( 301) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025773 k( 302) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0025773 k( 303) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0025773 k( 304) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025773 k( 305) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0025773 k( 306) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025773 k( 307) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025773 k( 308) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0025773 k( 309) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0025773 k( 310) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025773 k( 311) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0025773 k( 312) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0025773 k( 313) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025773 k( 314) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0025773 k( 315) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0025773 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 317) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 318) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0025773 k( 319) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0025773 k( 320) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0025773 k( 321) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0025773 k( 322) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0025773 k( 323) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0025773 k( 324) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0025773 k( 325) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0025773 k( 326) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0025773 k( 327) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0025773 k( 328) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0025773 k( 329) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0025773 k( 330) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0025773 k( 331) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0025773 k( 332) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0025773 k( 333) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0025773 k( 334) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0025773 k( 335) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0025773 k( 336) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0025773 k( 337) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0025773 k( 338) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0025773 k( 339) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0025773 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 341) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 342) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0025773 k( 343) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0025773 k( 344) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0025773 k( 345) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0025773 k( 346) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0025773 k( 347) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0025773 k( 348) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0025773 k( 349) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0025773 k( 350) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0025773 k( 351) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0025773 k( 352) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0025773 k( 353) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0025773 k( 354) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0025773 k( 355) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0025773 k( 356) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0025773 k( 357) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0025773 k( 358) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0025773 k( 359) = ( 0.5000000 0.0000000 0.1086956), wk = 0.0025773 k( 360) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0025773 k( 361) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0025773 k( 362) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0025773 k( 363) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0025773 k( 364) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 365) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 366) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0025773 k( 367) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0025773 k( 368) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0025773 k( 369) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0025773 k( 370) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0025773 k( 371) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0025773 k( 372) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0025773 k( 373) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0025773 k( 374) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0025773 k( 375) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0025773 k( 376) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0025773 k( 377) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0025773 k( 378) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0025773 k( 379) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0025773 k( 380) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0025773 k( 381) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0025773 k( 382) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0025773 k( 383) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0025773 k( 384) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0025773 k( 385) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0025773 k( 386) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0025773 k( 387) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0025773 k( 388) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 47941 G-vectors FFT dimensions: ( 36, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 374, 40) NL pseudopotentials 0.34 Mb ( 187, 120) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1333) G-vector shells 0.01 Mb ( 683) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 374, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 120, 2, 40) The potential is recalculated from file : ./ZrGe.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.4 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.8 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.1 secs Computing kpt #: 18 total cpu time spent up to now is 17.7 secs Computing kpt #: 19 total cpu time spent up to now is 18.3 secs Computing kpt #: 20 total cpu time spent up to now is 18.9 secs Computing kpt #: 21 total cpu time spent up to now is 19.5 secs Computing kpt #: 22 total cpu time spent up to now is 20.1 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.2 secs Computing kpt #: 25 total cpu time spent up to now is 21.8 secs Computing kpt #: 26 total cpu time spent up to now is 22.4 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.7 secs Computing kpt #: 29 total cpu time spent up to now is 24.4 secs Computing kpt #: 30 total cpu time spent up to now is 25.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.4 secs Computing kpt #: 32 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 27.8 secs Computing kpt #: 33 total cpu time spent up to now is 29.2 secs Computing kpt #: 34 total cpu time spent up to now is 30.3 secs Computing kpt #: 35 total cpu time spent up to now is 31.3 secs Computing kpt #: 36 total cpu time spent up to now is 32.4 secs Computing kpt #: 37 total cpu time spent up to now is 33.6 secs Computing kpt #: 38 total cpu time spent up to now is 34.9 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 36.1 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.4 secs Computing kpt #: 41 total cpu time spent up to now is 38.4 secs Computing kpt #: 42 total cpu time spent up to now is 39.3 secs Computing kpt #: 43 total cpu time spent up to now is 40.2 secs Computing kpt #: 44 total cpu time spent up to now is 41.0 secs Computing kpt #: 45 total cpu time spent up to now is 41.9 secs Computing kpt #: 46 total cpu time spent up to now is 42.7 secs Computing kpt #: 47 total cpu time spent up to now is 43.5 secs Computing kpt #: 48 total cpu time spent up to now is 44.3 secs Computing kpt #: 49 total cpu time spent up to now is 45.1 secs Computing kpt #: 50 total cpu time spent up to now is 45.9 secs Computing kpt #: 51 total cpu time spent up to now is 46.7 secs Computing kpt #: 52 total cpu time spent up to now is 47.5 secs Computing kpt #: 53 total cpu time spent up to now is 48.3 secs Computing kpt #: 54 total cpu time spent up to now is 49.0 secs Computing kpt #: 55 total cpu time spent up to now is 49.8 secs Computing kpt #: 56 total cpu time spent up to now is 50.5 secs Computing kpt #: 57 total cpu time spent up to now is 51.2 secs Computing kpt #: 58 total cpu time spent up to now is 51.9 secs Computing kpt #: 59 total cpu time spent up to now is 52.5 secs Computing kpt #: 60 total cpu time spent up to now is 53.0 secs Computing kpt #: 61 total cpu time spent up to now is 53.6 secs Computing kpt #: 62 total cpu time spent up to now is 54.1 secs Computing kpt #: 63 total cpu time spent up to now is 54.6 secs Computing kpt #: 64 total cpu time spent up to now is 55.2 secs Computing kpt #: 65 total cpu time spent up to now is 55.7 secs Computing kpt #: 66 total cpu time spent up to now is 56.2 secs Computing kpt #: 67 total cpu time spent up to now is 56.7 secs Computing kpt #: 68 total cpu time spent up to now is 57.2 secs Computing kpt #: 69 total cpu time spent up to now is 57.6 secs Computing kpt #: 70 total cpu time spent up to now is 58.1 secs Computing kpt #: 71 total cpu time spent up to now is 58.5 secs Computing kpt #: 72 total cpu time spent up to now is 59.0 secs Computing kpt #: 73 total cpu time spent up to now is 59.4 secs Computing kpt #: 74 total cpu time spent up to now is 59.8 secs Computing kpt #: 75 total cpu time spent up to now is 60.3 secs Computing kpt #: 76 total cpu time spent up to now is 60.7 secs Computing kpt #: 77 total cpu time spent up to now is 61.2 secs Computing kpt #: 78 total cpu time spent up to now is 61.6 secs Computing kpt #: 79 total cpu time spent up to now is 62.0 secs Computing kpt #: 80 total cpu time spent up to now is 62.5 secs Computing kpt #: 81 total cpu time spent up to now is 62.9 secs Computing kpt #: 82 total cpu time spent up to now is 63.4 secs Computing kpt #: 83 total cpu time spent up to now is 63.8 secs Computing kpt #: 84 total cpu time spent up to now is 64.3 secs Computing kpt #: 85 total cpu time spent up to now is 64.8 secs Computing kpt #: 86 total cpu time spent up to now is 65.3 secs Computing kpt #: 87 total cpu time spent up to now is 65.8 secs Computing kpt #: 88 total cpu time spent up to now is 66.3 secs Computing kpt #: 89 total cpu time spent up to now is 66.8 secs Computing kpt #: 90 total cpu time spent up to now is 67.3 secs Computing kpt #: 91 total cpu time spent up to now is 67.8 secs Computing kpt #: 92 total cpu time spent up to now is 68.3 secs Computing kpt #: 93 total cpu time spent up to now is 68.9 secs Computing kpt #: 94 total cpu time spent up to now is 69.4 secs Computing kpt #: 95 total cpu time spent up to now is 69.9 secs Computing kpt #: 96 total cpu time spent up to now is 70.3 secs Computing kpt #: 97 total cpu time spent up to now is 70.8 secs Computing kpt #: 98 total cpu time spent up to now is 71.3 secs Computing kpt #: 99 total cpu time spent up to now is 71.8 secs Computing kpt #: 100 total cpu time spent up to now is 72.3 secs Computing kpt #: 101 total cpu time spent up to now is 72.9 secs Computing kpt #: 102 total cpu time spent up to now is 73.5 secs Computing kpt #: 103 total cpu time spent up to now is 74.2 secs Computing kpt #: 104 total cpu time spent up to now is 75.1 secs Computing kpt #: 105 total cpu time spent up to now is 75.8 secs Computing kpt #: 106 total cpu time spent up to now is 76.6 secs Computing kpt #: 107 total cpu time spent up to now is 77.3 secs Computing kpt #: 108 total cpu time spent up to now is 77.9 secs Computing kpt #: 109 total cpu time spent up to now is 78.6 secs Computing kpt #: 110 total cpu time spent up to now is 79.2 secs Computing kpt #: 111 total cpu time spent up to now is 79.7 secs Computing kpt #: 112 total cpu time spent up to now is 80.3 secs Computing kpt #: 113 total cpu time spent up to now is 80.8 secs Computing kpt #: 114 total cpu time spent up to now is 81.4 secs Computing kpt #: 115 total cpu time spent up to now is 81.9 secs Computing kpt #: 116 total cpu time spent up to now is 82.4 secs Computing kpt #: 117 total cpu time spent up to now is 82.9 secs Computing kpt #: 118 total cpu time spent up to now is 83.5 secs Computing kpt #: 119 total cpu time spent up to now is 84.0 secs Computing kpt #: 120 total cpu time spent up to now is 84.5 secs Computing kpt #: 121 total cpu time spent up to now is 85.1 secs Computing kpt #: 122 total cpu time spent up to now is 85.6 secs Computing kpt #: 123 total cpu time spent up to now is 86.2 secs Computing kpt #: 124 total cpu time spent up to now is 86.7 secs Computing kpt #: 125 total cpu time spent up to now is 87.3 secs Computing kpt #: 126 total cpu time spent up to now is 88.0 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.2 secs Computing kpt #: 129 total cpu time spent up to now is 89.8 secs Computing kpt #: 130 total cpu time spent up to now is 90.5 secs Computing kpt #: 131 total cpu time spent up to now is 91.2 secs Computing kpt #: 132 total cpu time spent up to now is 92.2 secs Computing kpt #: 133 total cpu time spent up to now is 93.2 secs Computing kpt #: 134 total cpu time spent up to now is 94.0 secs Computing kpt #: 135 total cpu time spent up to now is 94.7 secs Computing kpt #: 136 total cpu time spent up to now is 95.4 secs Computing kpt #: 137 total cpu time spent up to now is 96.1 secs Computing kpt #: 138 total cpu time spent up to now is 96.7 secs Computing kpt #: 139 total cpu time spent up to now is 97.4 secs Computing kpt #: 140 total cpu time spent up to now is 98.0 secs Computing kpt #: 141 total cpu time spent up to now is 98.7 secs Computing kpt #: 142 total cpu time spent up to now is 99.4 secs Computing kpt #: 143 total cpu time spent up to now is 100.2 secs Computing kpt #: 144 total cpu time spent up to now is 101.1 secs Computing kpt #: 145 total cpu time spent up to now is 102.0 secs Computing kpt #: 146 total cpu time spent up to now is 102.8 secs Computing kpt #: 147 total cpu time spent up to now is 103.7 secs Computing kpt #: 148 total cpu time spent up to now is 104.5 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.7 secs Computing kpt #: 150 total cpu time spent up to now is 106.4 secs Computing kpt #: 151 total cpu time spent up to now is 107.0 secs Computing kpt #: 152 total cpu time spent up to now is 107.6 secs Computing kpt #: 153 total cpu time spent up to now is 108.2 secs Computing kpt #: 154 total cpu time spent up to now is 108.7 secs Computing kpt #: 155 total cpu time spent up to now is 109.2 secs Computing kpt #: 156 total cpu time spent up to now is 109.8 secs Computing kpt #: 157 total cpu time spent up to now is 110.3 secs Computing kpt #: 158 total cpu time spent up to now is 110.8 secs Computing kpt #: 159 total cpu time spent up to now is 111.3 secs Computing kpt #: 160 total cpu time spent up to now is 111.9 secs Computing kpt #: 161 total cpu time spent up to now is 112.4 secs Computing kpt #: 162 total cpu time spent up to now is 112.9 secs Computing kpt #: 163 total cpu time spent up to now is 113.5 secs Computing kpt #: 164 total cpu time spent up to now is 114.0 secs Computing kpt #: 165 total cpu time spent up to now is 114.6 secs Computing kpt #: 166 total cpu time spent up to now is 115.1 secs Computing kpt #: 167 total cpu time spent up to now is 115.6 secs Computing kpt #: 168 total cpu time spent up to now is 116.1 secs Computing kpt #: 169 total cpu time spent up to now is 116.6 secs Computing kpt #: 170 total cpu time spent up to now is 117.1 secs Computing kpt #: 171 total cpu time spent up to now is 117.6 secs Computing kpt #: 172 total cpu time spent up to now is 118.1 secs Computing kpt #: 173 total cpu time spent up to now is 118.6 secs Computing kpt #: 174 total cpu time spent up to now is 119.1 secs Computing kpt #: 175 total cpu time spent up to now is 119.6 secs Computing kpt #: 176 total cpu time spent up to now is 120.1 secs Computing kpt #: 177 total cpu time spent up to now is 120.7 secs Computing kpt #: 178 total cpu time spent up to now is 121.3 secs Computing kpt #: 179 total cpu time spent up to now is 121.8 secs Computing kpt #: 180 total cpu time spent up to now is 122.4 secs Computing kpt #: 181 total cpu time spent up to now is 123.0 secs Computing kpt #: 182 total cpu time spent up to now is 123.5 secs Computing kpt #: 183 total cpu time spent up to now is 124.1 secs Computing kpt #: 184 total cpu time spent up to now is 124.6 secs Computing kpt #: 185 total cpu time spent up to now is 125.2 secs Computing kpt #: 186 total cpu time spent up to now is 125.8 secs Computing kpt #: 187 total cpu time spent up to now is 126.3 secs Computing kpt #: 188 total cpu time spent up to now is 126.9 secs Computing kpt #: 189 total cpu time spent up to now is 127.5 secs Computing kpt #: 190 total cpu time spent up to now is 128.1 secs Computing kpt #: 191 total cpu time spent up to now is 128.8 secs Computing kpt #: 192 total cpu time spent up to now is 129.4 secs Computing kpt #: 193 total cpu time spent up to now is 130.1 secs Computing kpt #: 194 total cpu time spent up to now is 130.8 secs Computing kpt #: 195 total cpu time spent up to now is 131.5 secs Computing kpt #: 196 total cpu time spent up to now is 132.3 secs Computing kpt #: 197 total cpu time spent up to now is 133.2 secs Computing kpt #: 198 total cpu time spent up to now is 134.1 secs Computing kpt #: 199 total cpu time spent up to now is 135.0 secs Computing kpt #: 200 total cpu time spent up to now is 135.9 secs Computing kpt #: 201 total cpu time spent up to now is 136.8 secs Computing kpt #: 202 total cpu time spent up to now is 137.7 secs Computing kpt #: 203 total cpu time spent up to now is 138.6 secs Computing kpt #: 204 total cpu time spent up to now is 139.5 secs Computing kpt #: 205 total cpu time spent up to now is 140.4 secs Computing kpt #: 206 total cpu time spent up to now is 141.3 secs Computing kpt #: 207 total cpu time spent up to now is 142.1 secs Computing kpt #: 208 total cpu time spent up to now is 143.0 secs Computing kpt #: 209 total cpu time spent up to now is 143.8 secs Computing kpt #: 210 total cpu time spent up to now is 144.6 secs Computing kpt #: 211 total cpu time spent up to now is 145.3 secs Computing kpt #: 212 total cpu time spent up to now is 146.0 secs Computing kpt #: 213 total cpu time spent up to now is 146.7 secs Computing kpt #: 214 total cpu time spent up to now is 147.4 secs Computing kpt #: 215 total cpu time spent up to now is 148.1 secs Computing kpt #: 216 total cpu time spent up to now is 148.8 secs Computing kpt #: 217 total cpu time spent up to now is 149.5 secs Computing kpt #: 218 total cpu time spent up to now is 150.2 secs Computing kpt #: 219 total cpu time spent up to now is 150.9 secs Computing kpt #: 220 total cpu time spent up to now is 151.7 secs Computing kpt #: 221 total cpu time spent up to now is 152.4 secs Computing kpt #: 222 total cpu time spent up to now is 153.2 secs Computing kpt #: 223 total cpu time spent up to now is 153.9 secs Computing kpt #: 224 total cpu time spent up to now is 154.7 secs Computing kpt #: 225 total cpu time spent up to now is 155.4 secs Computing kpt #: 226 total cpu time spent up to now is 156.1 secs Computing kpt #: 227 total cpu time spent up to now is 156.8 secs Computing kpt #: 228 total cpu time spent up to now is 157.5 secs Computing kpt #: 229 total cpu time spent up to now is 158.2 secs Computing kpt #: 230 total cpu time spent up to now is 158.8 secs Computing kpt #: 231 total cpu time spent up to now is 159.5 secs Computing kpt #: 232 total cpu time spent up to now is 160.1 secs Computing kpt #: 233 total cpu time spent up to now is 160.8 secs Computing kpt #: 234 total cpu time spent up to now is 161.4 secs Computing kpt #: 235 total cpu time spent up to now is 162.0 secs Computing kpt #: 236 total cpu time spent up to now is 162.7 secs Computing kpt #: 237 total cpu time spent up to now is 163.3 secs Computing kpt #: 238 total cpu time spent up to now is 163.9 secs Computing kpt #: 239 total cpu time spent up to now is 164.5 secs Computing kpt #: 240 total cpu time spent up to now is 165.2 secs Computing kpt #: 241 total cpu time spent up to now is 165.8 secs Computing kpt #: 242 total cpu time spent up to now is 166.4 secs Computing kpt #: 243 total cpu time spent up to now is 167.0 secs Computing kpt #: 244 total cpu time spent up to now is 167.6 secs Computing kpt #: 245 total cpu time spent up to now is 168.3 secs Computing kpt #: 246 total cpu time spent up to now is 168.9 secs Computing kpt #: 247 total cpu time spent up to now is 169.6 secs Computing kpt #: 248 total cpu time spent up to now is 170.2 secs Computing kpt #: 249 total cpu time spent up to now is 170.9 secs Computing kpt #: 250 total cpu time spent up to now is 171.5 secs Computing kpt #: 251 total cpu time spent up to now is 172.1 secs Computing kpt #: 252 total cpu time spent up to now is 172.7 secs Computing kpt #: 253 total cpu time spent up to now is 173.3 secs Computing kpt #: 254 total cpu time spent up to now is 173.9 secs Computing kpt #: 255 total cpu time spent up to now is 174.5 secs Computing kpt #: 256 total cpu time spent up to now is 175.0 secs Computing kpt #: 257 total cpu time spent up to now is 175.6 secs Computing kpt #: 258 total cpu time spent up to now is 176.1 secs Computing kpt #: 259 total cpu time spent up to now is 176.6 secs Computing kpt #: 260 total cpu time spent up to now is 177.1 secs Computing kpt #: 261 total cpu time spent up to now is 177.7 secs Computing kpt #: 262 total cpu time spent up to now is 178.2 secs Computing kpt #: 263 total cpu time spent up to now is 178.7 secs Computing kpt #: 264 total cpu time spent up to now is 179.2 secs Computing kpt #: 265 total cpu time spent up to now is 179.7 secs Computing kpt #: 266 total cpu time spent up to now is 180.2 secs Computing kpt #: 267 total cpu time spent up to now is 180.7 secs Computing kpt #: 268 total cpu time spent up to now is 181.2 secs Computing kpt #: 269 total cpu time spent up to now is 181.7 secs Computing kpt #: 270 total cpu time spent up to now is 182.2 secs Computing kpt #: 271 total cpu time spent up to now is 182.7 secs Computing kpt #: 272 total cpu time spent up to now is 183.2 secs Computing kpt #: 273 total cpu time spent up to now is 183.7 secs Computing kpt #: 274 total cpu time spent up to now is 184.3 secs Computing kpt #: 275 total cpu time spent up to now is 184.8 secs Computing kpt #: 276 total cpu time spent up to now is 185.3 secs Computing kpt #: 277 total cpu time spent up to now is 185.8 secs Computing kpt #: 278 total cpu time spent up to now is 186.3 secs Computing kpt #: 279 total cpu time spent up to now is 186.8 secs Computing kpt #: 280 total cpu time spent up to now is 187.3 secs Computing kpt #: 281 total cpu time spent up to now is 187.8 secs Computing kpt #: 282 total cpu time spent up to now is 188.3 secs Computing kpt #: 283 total cpu time spent up to now is 188.8 secs Computing kpt #: 284 total cpu time spent up to now is 189.3 secs Computing kpt #: 285 total cpu time spent up to now is 189.8 secs Computing kpt #: 286 total cpu time spent up to now is 190.3 secs Computing kpt #: 287 total cpu time spent up to now is 190.8 secs Computing kpt #: 288 total cpu time spent up to now is 191.2 secs Computing kpt #: 289 total cpu time spent up to now is 191.7 secs Computing kpt #: 290 total cpu time spent up to now is 192.3 secs Computing kpt #: 291 total cpu time spent up to now is 192.8 secs Computing kpt #: 292 total cpu time spent up to now is 193.4 secs Computing kpt #: 293 total cpu time spent up to now is 194.0 secs Computing kpt #: 294 total cpu time spent up to now is 194.6 secs Computing kpt #: 295 total cpu time spent up to now is 195.3 secs Computing kpt #: 296 total cpu time spent up to now is 195.9 secs Computing kpt #: 297 total cpu time spent up to now is 196.5 secs Computing kpt #: 298 total cpu time spent up to now is 197.2 secs Computing kpt #: 299 total cpu time spent up to now is 197.9 secs Computing kpt #: 300 total cpu time spent up to now is 198.5 secs Computing kpt #: 301 total cpu time spent up to now is 199.1 secs Computing kpt #: 302 total cpu time spent up to now is 199.8 secs Computing kpt #: 303 total cpu time spent up to now is 200.4 secs Computing kpt #: 304 total cpu time spent up to now is 201.0 secs Computing kpt #: 305 total cpu time spent up to now is 201.6 secs Computing kpt #: 306 total cpu time spent up to now is 202.2 secs Computing kpt #: 307 total cpu time spent up to now is 202.7 secs Computing kpt #: 308 total cpu time spent up to now is 203.3 secs Computing kpt #: 309 total cpu time spent up to now is 203.8 secs Computing kpt #: 310 total cpu time spent up to now is 204.3 secs Computing kpt #: 311 total cpu time spent up to now is 204.9 secs Computing kpt #: 312 total cpu time spent up to now is 205.4 secs Computing kpt #: 313 total cpu time spent up to now is 205.9 secs Computing kpt #: 314 total cpu time spent up to now is 206.4 secs Computing kpt #: 315 total cpu time spent up to now is 206.9 secs Computing kpt #: 316 total cpu time spent up to now is 207.4 secs Computing kpt #: 317 total cpu time spent up to now is 207.9 secs Computing kpt #: 318 total cpu time spent up to now is 208.4 secs Computing kpt #: 319 total cpu time spent up to now is 208.9 secs Computing kpt #: 320 total cpu time spent up to now is 209.5 secs Computing kpt #: 321 total cpu time spent up to now is 210.0 secs Computing kpt #: 322 total cpu time spent up to now is 210.5 secs Computing kpt #: 323 total cpu time spent up to now is 211.1 secs Computing kpt #: 324 total cpu time spent up to now is 211.6 secs Computing kpt #: 325 total cpu time spent up to now is 212.2 secs Computing kpt #: 326 total cpu time spent up to now is 212.7 secs Computing kpt #: 327 total cpu time spent up to now is 213.2 secs Computing kpt #: 328 total cpu time spent up to now is 213.8 secs Computing kpt #: 329 total cpu time spent up to now is 214.3 secs Computing kpt #: 330 total cpu time spent up to now is 214.8 secs Computing kpt #: 331 total cpu time spent up to now is 215.3 secs Computing kpt #: 332 total cpu time spent up to now is 215.8 secs Computing kpt #: 333 total cpu time spent up to now is 216.3 secs Computing kpt #: 334 total cpu time spent up to now is 216.8 secs Computing kpt #: 335 total cpu time spent up to now is 217.3 secs Computing kpt #: 336 total cpu time spent up to now is 217.8 secs Computing kpt #: 337 total cpu time spent up to now is 218.3 secs Computing kpt #: 338 total cpu time spent up to now is 218.8 secs Computing kpt #: 339 total cpu time spent up to now is 219.3 secs Computing kpt #: 340 total cpu time spent up to now is 219.8 secs Computing kpt #: 341 total cpu time spent up to now is 220.4 secs Computing kpt #: 342 total cpu time spent up to now is 221.2 secs Computing kpt #: 343 total cpu time spent up to now is 221.8 secs Computing kpt #: 344 total cpu time spent up to now is 222.6 secs Computing kpt #: 345 total cpu time spent up to now is 223.2 secs Computing kpt #: 346 total cpu time spent up to now is 224.0 secs Computing kpt #: 347 total cpu time spent up to now is 224.7 secs Computing kpt #: 348 total cpu time spent up to now is 225.4 secs Computing kpt #: 349 total cpu time spent up to now is 226.1 secs Computing kpt #: 350 total cpu time spent up to now is 226.8 secs Computing kpt #: 351 total cpu time spent up to now is 227.5 secs Computing kpt #: 352 total cpu time spent up to now is 228.2 secs Computing kpt #: 353 total cpu time spent up to now is 229.0 secs Computing kpt #: 354 total cpu time spent up to now is 229.7 secs Computing kpt #: 355 total cpu time spent up to now is 230.4 secs Computing kpt #: 356 total cpu time spent up to now is 231.2 secs Computing kpt #: 357 total cpu time spent up to now is 232.0 secs Computing kpt #: 358 total cpu time spent up to now is 232.8 secs Computing kpt #: 359 total cpu time spent up to now is 233.6 secs Computing kpt #: 360 total cpu time spent up to now is 234.5 secs Computing kpt #: 361 total cpu time spent up to now is 235.3 secs Computing kpt #: 362 total cpu time spent up to now is 236.2 secs Computing kpt #: 363 total cpu time spent up to now is 237.1 secs Computing kpt #: 364 total cpu time spent up to now is 238.0 secs Computing kpt #: 365 total cpu time spent up to now is 238.5 secs Computing kpt #: 366 total cpu time spent up to now is 238.9 secs Computing kpt #: 367 total cpu time spent up to now is 239.3 secs Computing kpt #: 368 total cpu time spent up to now is 239.8 secs Computing kpt #: 369 total cpu time spent up to now is 240.2 secs Computing kpt #: 370 total cpu time spent up to now is 240.7 secs Computing kpt #: 371 total cpu time spent up to now is 241.1 secs Computing kpt #: 372 total cpu time spent up to now is 241.6 secs Computing kpt #: 373 total cpu time spent up to now is 242.1 secs Computing kpt #: 374 total cpu time spent up to now is 242.7 secs Computing kpt #: 375 total cpu time spent up to now is 243.2 secs Computing kpt #: 376 total cpu time spent up to now is 243.7 secs Computing kpt #: 377 total cpu time spent up to now is 244.2 secs Computing kpt #: 378 total cpu time spent up to now is 244.8 secs Computing kpt #: 379 total cpu time spent up to now is 245.3 secs Computing kpt #: 380 total cpu time spent up to now is 245.9 secs Computing kpt #: 381 total cpu time spent up to now is 246.5 secs Computing kpt #: 382 total cpu time spent up to now is 247.0 secs Computing kpt #: 383 total cpu time spent up to now is 247.7 secs Computing kpt #: 384 total cpu time spent up to now is 248.3 secs Computing kpt #: 385 total cpu time spent up to now is 249.0 secs Computing kpt #: 386 total cpu time spent up to now is 249.6 secs Computing kpt #: 387 total cpu time spent up to now is 250.3 secs Computing kpt #: 388 total cpu time spent up to now is 250.9 secs ethr = 3.13E-08, avg # of iterations = 37.7 total cpu time spent up to now is 250.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5981 PWs) bands (ev): -2.8271 -2.8271 -1.7230 -1.7230 2.1455 2.1455 2.9184 2.9184 4.1655 4.1655 5.6706 5.6706 5.7832 5.7832 5.9372 5.9372 7.0046 7.0046 7.0934 7.0934 7.1866 7.1866 7.4298 7.4298 8.8627 8.8627 9.2232 9.2232 9.2878 9.2878 9.3112 9.3112 9.8685 9.8685 10.2523 10.2523 10.3877 10.3877 10.5838 10.5838 k = 0.0122-0.0000-0.0000 ( 5987 PWs) bands (ev): -2.8255 -2.8255 -1.7219 -1.7219 2.1454 2.1454 2.9164 2.9164 4.1657 4.1657 5.6703 5.6703 5.7842 5.7842 5.9389 5.9389 6.9288 6.9288 7.1452 7.1452 7.1851 7.1851 7.4499 7.4499 8.8579 8.8579 9.2185 9.2185 9.2845 9.2845 9.3091 9.3091 9.8736 9.8736 10.2494 10.2494 10.3941 10.3941 10.5867 10.5867 k = 0.0244-0.0000-0.0000 ( 5989 PWs) bands (ev): -2.8209 -2.8209 -1.7187 -1.7187 2.1449 2.1449 2.9101 2.9101 4.1662 4.1662 5.6696 5.6696 5.7871 5.7871 5.9440 5.9440 6.8097 6.8097 7.1754 7.1754 7.1978 7.1978 7.5097 7.5097 8.8436 8.8436 9.2045 9.2045 9.2748 9.2748 9.3028 9.3028 9.8887 9.8887 10.2412 10.2412 10.4130 10.4130 10.5952 10.5952 k = 0.0366-0.0000-0.0000 ( 5979 PWs) bands (ev): -2.8131 -2.8131 -1.7133 -1.7133 2.1440 2.1440 2.8996 2.8996 4.1672 4.1672 5.6681 5.6681 5.7923 5.7923 5.9525 5.9525 6.6814 6.6814 7.1661 7.1661 7.2190 7.2190 7.5991 7.5991 8.8203 8.8203 9.1823 9.1823 9.2590 9.2590 9.2918 9.2918 9.9135 9.9135 10.2288 10.2288 10.4433 10.4433 10.6092 10.6092 k = 0.0488-0.0000-0.0000 ( 5983 PWs) bands (ev): -2.8022 -2.8022 -1.7057 -1.7057 2.1425 2.1425 2.8846 2.8846 4.1691 4.1691 5.6660 5.6660 5.7998 5.7998 5.9643 5.9643 6.5489 6.5489 7.1516 7.1516 7.2250 7.2250 7.7026 7.7026 8.7888 8.7888 9.1531 9.1531 9.2378 9.2378 9.2752 9.2752 9.9474 9.9474 10.2134 10.2134 10.4835 10.4835 10.6284 10.6284 k = 0.0610-0.0000-0.0000 ( 5983 PWs) bands (ev): -2.7883 -2.7883 -1.6959 -1.6959 2.1404 2.1404 2.8649 2.8649 4.1721 4.1721 5.6632 5.6632 5.8099 5.8099 5.9795 5.9795 6.4148 6.4148 7.1330 7.1330 7.2224 7.2224 7.8106 7.8106 8.7499 8.7499 9.1182 9.1182 9.2118 9.2118 9.2526 9.2526 9.9897 9.9897 10.1963 10.1963 10.5321 10.5321 10.6522 10.6522 k = 0.0732-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.7712 -2.7712 -1.6840 -1.6840 2.1373 2.1373 2.8403 2.8403 4.1767 4.1767 5.6597 5.6597 5.8226 5.8226 5.9980 5.9980 6.2805 6.2805 7.1106 7.1106 7.2148 7.2148 7.9184 7.9184 8.7045 8.7045 9.0789 9.0789 9.1820 9.1820 9.2232 9.2232 10.0394 10.0394 10.1787 10.1787 10.5873 10.5873 10.6802 10.6802 k = 0.0854-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.7511 -2.7511 -1.6699 -1.6699 2.1330 2.1330 2.8105 2.8105 4.1834 4.1834 5.6559 5.6559 5.8380 5.8380 6.0193 6.0193 6.1474 6.1474 7.0846 7.0846 7.2037 7.2037 8.0235 8.0235 8.6535 8.6535 9.0363 9.0363 9.1489 9.1489 9.1868 9.1868 10.0937 10.0937 10.1633 10.1633 10.6474 10.6474 10.7122 10.7122 k = 0.0976-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.7279 -2.7279 -1.6536 -1.6536 2.1272 2.1272 2.7753 2.7753 4.1925 4.1925 5.6518 5.6518 5.8561 5.8561 6.0122 6.0122 6.0479 6.0479 7.0553 7.0553 7.1901 7.1901 8.1247 8.1247 8.5977 8.5977 8.9913 8.9913 9.1131 9.1131 9.1434 9.1434 10.1279 10.1279 10.1750 10.1750 10.7087 10.7087 10.7499 10.7499 k = 0.1098-0.0000-0.0000 ( 5989 PWs) bands (ev): -2.7016 -2.7016 -1.6352 -1.6352 2.1195 2.1195 2.7346 2.7346 4.2044 4.2044 5.6478 5.6478 5.8755 5.8755 5.8870 5.8870 6.0734 6.0734 7.0229 7.0229 7.1745 7.1745 8.2209 8.2209 8.5379 8.5379 8.9446 8.9446 9.0753 9.0753 9.0933 9.0933 10.1185 10.1185 10.2371 10.2371 10.7615 10.7615 10.8013 10.8013 k = 0.1220-0.0000-0.0000 ( 5993 PWs) bands (ev): -2.6722 -2.6722 -1.6146 -1.6146 2.1094 2.1094 2.6883 2.6883 4.2196 4.2196 5.6437 5.6437 5.7613 5.7613 5.8999 5.8999 6.1039 6.1039 6.9876 6.9876 7.1574 7.1574 8.3113 8.3113 8.4749 8.4749 8.8969 8.8969 9.0329 9.0329 9.0399 9.0399 10.1051 10.1051 10.3099 10.3099 10.8030 10.8030 10.8680 10.8680 k = 0.1341-0.0000-0.0000 ( 5995 PWs) bands (ev): -2.6399 -2.6399 -1.5918 -1.5918 2.0964 2.0964 2.6366 2.6366 4.2381 4.2381 5.6272 5.6272 5.6542 5.6542 5.9251 5.9251 6.1372 6.1372 6.9498 6.9498 7.1390 7.1390 8.3912 8.3912 8.4132 8.4132 8.8486 8.8486 8.9728 8.9728 8.9974 8.9974 10.0936 10.0936 10.3875 10.3875 10.8410 10.8410 10.9403 10.9403 k = 0.1463-0.0000-0.0000 ( 6009 PWs) bands (ev): -2.6045 -2.6045 -1.5669 -1.5669 2.0801 2.0801 2.5795 2.5795 4.2602 4.2602 5.5219 5.5219 5.6423 5.6423 5.9523 5.9523 6.1730 6.1730 6.9098 6.9098 7.1197 7.1197 8.3394 8.3394 8.4739 8.4739 8.8000 8.8000 8.9056 8.9056 8.9566 8.9566 10.0856 10.0856 10.4683 10.4683 10.8781 10.8781 11.0060 11.0060 k = 0.1585-0.0000-0.0000 ( 6001 PWs) bands (ev): -2.5660 -2.5660 -1.5399 -1.5399 2.0598 2.0598 2.5173 2.5173 4.2860 4.2860 5.4132 5.4132 5.6410 5.6410 5.9814 5.9814 6.2110 6.2110 6.8678 6.8678 7.0997 7.0997 8.2699 8.2699 8.5429 8.5429 8.7514 8.7514 8.8341 8.8341 8.9158 8.9158 10.0822 10.0822 10.5513 10.5513 10.9149 10.9149 11.0272 11.0272 k = 0.1707-0.0000-0.0000 ( 6005 PWs) bands (ev): -2.5246 -2.5246 -1.5107 -1.5107 2.0349 2.0349 2.4503 2.4503 4.3153 4.3153 5.3110 5.3110 5.6415 5.6415 6.0120 6.0120 6.2509 6.2509 6.8242 6.8242 7.0793 7.0793 8.1991 8.1991 8.6025 8.6025 8.7030 8.7030 8.7602 8.7602 8.8751 8.8751 10.0845 10.0845 10.6355 10.6355 10.9514 10.9514 11.0510 11.0510 k = 0.1829-0.0000-0.0000 ( 6007 PWs) bands (ev): -2.4803 -2.4803 -1.4794 -1.4794 2.0050 2.0050 2.3789 2.3789 4.3482 4.3482 5.2164 5.2164 5.6435 5.6435 6.0440 6.0440 6.2924 6.2924 6.7793 6.7793 7.0586 7.0586 8.1278 8.1278 8.6427 8.6427 8.6542 8.6542 8.6949 8.6949 8.8349 8.8349 10.0935 10.0935 10.7201 10.7201 10.9879 10.9879 11.0801 11.0801 k = 0.1951-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.4329 -2.4329 -1.4460 -1.4460 1.9694 1.9694 2.3034 2.3034 4.3846 4.3846 5.1302 5.1302 5.6471 5.6471 6.0769 6.0769 6.3350 6.3350 6.7336 6.7336 7.0380 7.0380 8.0563 8.0563 8.5906 8.5906 8.6086 8.6086 8.7076 8.7076 8.7953 8.7953 10.1101 10.1101 10.8037 10.8037 11.0249 11.0249 11.1142 11.1142 k = 0.2073-0.0000-0.0000 ( 5993 PWs) bands (ev): -2.3827 -2.3827 -1.4104 -1.4104 1.9278 1.9278 2.2243 2.2243 4.4241 4.4241 5.0531 5.0531 5.6524 5.6524 6.1104 6.1104 6.3779 6.3779 6.6876 6.6876 7.0177 7.0177 7.9854 7.9854 8.5111 8.5111 8.5621 8.5621 8.7378 8.7378 8.7567 8.7567 10.1352 10.1352 10.8850 10.8850 11.0632 11.0632 11.1528 11.1528 k = 0.2195-0.0000-0.0000 ( 6001 PWs) bands (ev): -2.3295 -2.3295 -1.3728 -1.3728 1.8797 1.8797 2.1419 2.1419 4.4666 4.4666 4.9855 4.9855 5.6595 5.6595 6.1439 6.1439 6.4200 6.4200 6.6423 6.6423 6.9978 6.9978 7.9156 7.9156 8.4287 8.4287 8.5167 8.5167 8.7183 8.7183 8.7609 8.7609 10.1689 10.1689 10.9615 10.9615 11.1048 11.1048 11.1956 11.1956 k = 0.2317-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.2734 -2.2734 -1.3330 -1.3330 1.8248 1.8248 2.0568 2.0568 4.5118 4.5118 4.9279 4.9279 5.6685 5.6685 6.1770 6.1770 6.4578 6.4578 6.6010 6.6010 6.9786 6.9786 7.8474 7.8474 8.3454 8.3454 8.4725 8.4725 8.6817 8.6817 8.7743 8.7743 10.2115 10.2115 11.0295 11.0295 11.1530 11.1530 11.2421 11.2421 k = 0.2439-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.2145 -2.2145 -1.2911 -1.2911 1.7632 1.7632 1.9692 1.9692 4.5594 4.5594 4.8804 4.8804 5.6794 5.6794 6.2090 6.2090 6.4786 6.4786 6.5761 6.5761 6.9602 6.9602 7.7817 7.7817 8.2621 8.2621 8.4298 8.4298 8.6462 8.6462 8.7789 8.7789 10.2625 10.2625 11.0856 11.0856 11.2110 11.2110 11.2920 11.2920 k = 0.2561-0.0000-0.0000 ( 5997 PWs) bands (ev): -2.1528 -2.1528 -1.2472 -1.2472 1.6949 1.6949 1.8796 1.8796 4.6091 4.6091 4.8431 4.8431 5.6925 5.6925 6.2389 6.2389 6.4609 6.4609 6.5886 6.5886 6.9429 6.9429 7.7192 7.7192 8.1791 8.1791 8.3887 8.3887 8.6121 8.6121 8.7754 8.7754 10.3215 10.3215 11.1307 11.1307 11.2776 11.2776 11.3450 11.3450 k = 0.2683-0.0000-0.0000 ( 5979 PWs) bands (ev): -2.0882 -2.0882 -1.2011 -1.2011 1.6201 1.6201 1.7883 1.7883 4.6605 4.6605 4.8159 4.8159 5.7077 5.7077 6.2659 6.2659 6.4213 6.4213 6.6217 6.6217 6.9268 6.9268 7.6608 7.6608 8.0971 8.0971 8.3497 8.3497 8.5794 8.5794 8.7646 8.7646 10.3876 10.3876 11.1690 11.1690 11.3488 11.3488 11.4005 11.4005 k = 0.2805-0.0000-0.0000 ( 5969 PWs) bands (ev): -2.0209 -2.0209 -1.1530 -1.1530 1.5391 1.5391 1.6956 1.6956 4.7130 4.7130 4.7987 4.7987 5.7252 5.7252 6.2886 6.2886 6.3761 6.3761 6.6584 6.6584 6.9121 6.9121 7.6075 7.6075 8.0164 8.0164 8.3129 8.3129 8.5482 8.5482 8.7475 8.7475 10.4601 10.4601 11.2035 11.2035 11.4214 11.4214 11.4583 11.4583 k = 0.2927-0.0000-0.0000 ( 5969 PWs) bands (ev): -1.9509 -1.9509 -1.1029 -1.1029 1.4524 1.4524 1.6019 1.6019 4.7642 4.7642 4.7931 4.7931 5.7451 5.7451 6.3042 6.3042 6.3311 6.3311 6.6939 6.6939 6.8991 6.8991 7.5607 7.5607 7.9375 7.9375 8.2787 8.2787 8.5185 8.5185 8.7248 8.7248 10.5382 10.5382 11.2360 11.2360 11.4938 11.4938 11.5180 11.5180 k = 0.3049-0.0000-0.0000 ( 5968 PWs) bands (ev): -1.8781 -1.8781 -1.0507 -1.0507 1.3606 1.3606 1.5074 1.5074 4.7865 4.7865 4.8260 4.8260 5.7677 5.7677 6.2790 6.2790 6.3198 6.3198 6.7263 6.7263 6.8880 6.8880 7.5213 7.5213 7.8607 7.8607 8.2476 8.2476 8.4904 8.4904 8.6975 8.6975 10.6211 10.6211 11.2674 11.2674 11.5651 11.5651 11.5792 11.5792 k = 0.3171-0.0000-0.0000 ( 5980 PWs) bands (ev): -1.8027 -1.8027 -0.9964 -0.9964 1.2641 1.2641 1.4124 1.4124 4.7966 4.7966 4.8797 4.8797 5.7929 5.7929 6.2326 6.2326 6.3217 6.3217 6.7543 6.7543 6.8789 6.8789 7.4905 7.4905 7.7866 7.7866 8.2198 8.2198 8.4639 8.4639 8.6661 8.6661 10.7080 10.7080 11.2981 11.2981 11.6346 11.6346 11.6417 11.6417 k = 0.3293-0.0000-0.0000 ( 5984 PWs) bands (ev): -1.7247 -1.7247 -0.9402 -0.9402 1.1636 1.1636 1.3171 1.3171 4.8131 4.8131 4.9344 4.9344 5.8210 5.8210 6.1858 6.1858 6.3154 6.3154 6.7769 6.7769 6.8721 6.8721 7.4688 7.4688 7.7156 7.7156 8.1958 8.1958 8.4389 8.4389 8.6314 8.6314 10.7981 10.7981 11.3284 11.3284 11.7007 11.7007 11.7060 11.7060 k = 0.3415-0.0000-0.0000 ( 5976 PWs) bands (ev): -1.6442 -1.6442 -0.8820 -0.8820 1.0597 1.0597 1.2217 1.2217 4.8365 4.8365 4.9890 4.9890 5.8520 5.8520 6.1394 6.1394 6.2995 6.2995 6.7932 6.7932 6.8679 6.8679 7.4559 7.4559 7.6490 7.6490 8.1759 8.1759 8.4155 8.4155 8.5937 8.5937 10.8910 10.8910 11.3586 11.3586 11.7632 11.7632 11.7714 11.7714 k = 0.3537-0.0000-0.0000 ( 5974 PWs) bands (ev): -1.5610 -1.5610 -0.8218 -0.8218 0.9530 0.9530 1.1265 1.1265 4.8662 4.8662 5.0428 5.0428 5.8860 5.8860 6.0936 6.0936 6.2740 6.2740 6.8030 6.8030 6.8658 6.8658 7.4490 7.4490 7.5895 7.5895 8.1602 8.1602 8.3936 8.3936 8.5536 8.5536 10.9858 10.9858 11.3886 11.3886 11.8232 11.8232 11.8348 11.8348 k = 0.3659-0.0000-0.0000 ( 5980 PWs) bands (ev): -1.4755 -1.4755 -0.7596 -0.7596 0.8440 0.8440 1.0316 1.0316 4.9017 4.9017 5.0956 5.0956 5.9229 5.9229 6.0487 6.0487 6.2393 6.2393 6.8068 6.8068 6.8649 6.8649 7.4390 7.4390 7.5460 7.5460 8.1488 8.1488 8.3731 8.3731 8.5113 8.5113 11.0820 11.0820 11.4186 11.4186 11.8784 11.8784 11.8927 11.8927 k = 0.3780-0.0000-0.0000 ( 5988 PWs) bands (ev): -1.3875 -1.3875 -0.6955 -0.6955 0.7333 0.7333 0.9372 0.9372 4.9425 4.9425 5.1472 5.1472 5.9614 5.9614 6.0059 6.0059 6.1963 6.1963 6.8054 6.8054 6.8644 6.8644 7.4095 7.4095 7.5338 7.5338 8.1418 8.1418 8.3540 8.3540 8.4672 8.4672 11.1789 11.1789 11.4486 11.4486 11.9105 11.9105 11.9392 11.9392 k = 0.3902-0.0000-0.0000 ( 5976 PWs) bands (ev): -1.2971 -1.2971 -0.6295 -0.6295 0.6211 0.6211 0.8434 0.8434 4.9882 4.9882 5.1973 5.1973 5.9570 5.9570 6.0098 6.0098 6.1462 6.1462 6.7985 6.7985 6.8646 6.8646 7.3638 7.3638 7.5487 7.5487 8.1387 8.1387 8.3360 8.3360 8.4215 8.4215 11.2758 11.2758 11.4786 11.4786 11.9106 11.9106 11.9827 11.9827 k = 0.4024-0.0000-0.0000 ( 5978 PWs) bands (ev): -1.2044 -1.2044 -0.5616 -0.5616 0.5081 0.5081 0.7504 0.7504 5.0381 5.0381 5.2458 5.2458 5.9153 5.9153 6.0544 6.0544 6.0902 6.0902 6.7852 6.7852 6.8668 6.8668 7.3139 7.3139 7.5772 7.5772 8.1391 8.1391 8.3188 8.3188 8.3746 8.3746 11.3719 11.3719 11.5088 11.5088 11.9014 11.9014 12.0171 12.0172 k = 0.4146-0.0000-0.0000 ( 5982 PWs) bands (ev): -1.1096 -1.1096 -0.4918 -0.4918 0.3946 0.3946 0.6582 0.6582 5.0920 5.0920 5.2927 5.2927 5.8731 5.8731 6.0295 6.0295 6.1028 6.1028 6.7648 6.7648 6.8719 6.8719 7.2645 7.2645 7.6137 7.6137 8.1425 8.1425 8.3014 8.3014 8.3280 8.3280 11.4660 11.4660 11.5394 11.5394 11.8879 11.8879 12.0402 12.0402 k = 0.4268-0.0000-0.0000 ( 5978 PWs) bands (ev): -1.0125 -1.0125 -0.4202 -0.4202 0.2809 0.2809 0.5670 0.5670 5.1493 5.1493 5.3382 5.3382 5.8314 5.8314 5.9651 5.9651 6.1535 6.1535 6.7377 6.7377 6.8802 6.8802 7.2172 7.2172 7.6554 7.6554 8.1483 8.1483 8.2710 8.2710 8.2941 8.2941 11.5517 11.5517 11.5761 11.5761 11.8716 11.8716 12.0549 12.0549 k = 0.4390-0.0000-0.0000 ( 5994 PWs) bands (ev): -0.9134 -0.9134 -0.3468 -0.3468 0.1673 0.1673 0.4770 0.4770 5.2096 5.2096 5.3822 5.3822 5.7903 5.7903 5.8980 5.8980 6.2060 6.2060 6.7047 6.7047 6.8917 6.8917 7.1726 7.1726 7.7010 7.7010 8.1551 8.1551 8.2240 8.2240 8.2776 8.2776 11.5938 11.5938 11.6528 11.6528 11.8534 11.8534 12.0657 12.0657 k = 0.4512-0.0000-0.0000 ( 5990 PWs) bands (ev): -0.8123 -0.8123 -0.2716 -0.2716 0.0541 0.0541 0.3881 0.3881 5.2726 5.2726 5.4249 5.4249 5.7496 5.7496 5.8291 5.8291 6.2598 6.2598 6.6664 6.6664 6.9062 6.9062 7.1309 7.1309 7.7493 7.7493 8.1547 8.1547 8.1828 8.1828 8.2637 8.2637 11.6239 11.6239 11.7358 11.7358 11.8346 11.8346 12.0757 12.0757 k = 0.4634-0.0000-0.0000 ( 5990 PWs) bands (ev): -0.7093 -0.7093 -0.1948 -0.1948 -0.0583 -0.0583 0.3005 0.3005 5.3378 5.3378 5.4665 5.4665 5.7094 5.7094 5.7590 5.7590 6.3143 6.3143 6.6238 6.6238 6.9237 6.9237 7.0921 7.0921 7.7996 7.7996 8.1144 8.1144 8.1813 8.1813 8.2507 8.2507 11.6527 11.6527 11.7954 11.7954 11.8337 11.8337 12.0858 12.0859 k = 0.4756-0.0000-0.0000 ( 5972 PWs) bands (ev): -0.6045 -0.6045 -0.1703 -0.1703 -0.1158 -0.1158 0.2142 0.2142 5.4048 5.4048 5.5069 5.5069 5.6695 5.6695 5.6888 5.6888 6.3690 6.3690 6.5775 6.5775 6.9442 6.9442 7.0564 7.0564 7.8514 7.8514 8.0630 8.0630 8.1911 8.1911 8.2381 8.2381 11.6808 11.6808 11.7826 11.7826 11.8976 11.8976 12.0905 12.0905 k = 0.4878-0.0000-0.0000 ( 5984 PWs) bands (ev): -0.4981 -0.4981 -0.2808 -0.2808 -0.0358 -0.0358 0.1294 0.1294 5.4729 5.4729 5.5450 5.5450 5.6192 5.6192 5.6312 5.6312 6.4233 6.4233 6.5282 6.5282 6.9677 6.9677 7.0238 7.0238 7.9040 7.9040 8.0102 8.0102 8.2022 8.2022 8.2259 8.2259 11.7080 11.7080 11.7594 11.7594 11.9631 11.9631 12.0648 12.0648 k = 0.5000-0.0000-0.0000 ( 5992 PWs) bands (ev): -0.3901 -0.3901 -0.3901 -0.3901 0.0460 0.0460 0.0460 0.0460 5.5390 5.5390 5.5390 5.5390 5.5948 5.5948 5.5948 5.5948 6.4766 6.4766 6.4766 6.4766 6.9942 6.9942 6.9942 6.9942 7.9571 7.9571 7.9571 7.9571 8.2139 8.2139 8.2139 8.2139 11.7343 11.7343 11.7343 11.7343 12.0198 12.0198 12.0198 12.0198 k = 0.5000-0.0000-0.0000 ( 5992 PWs) bands (ev): -0.3901 -0.3901 -0.3901 -0.3901 0.0460 0.0460 0.0460 0.0460 5.5390 5.5390 5.5390 5.5390 5.5948 5.5948 5.5948 5.5948 6.4766 6.4766 6.4766 6.4766 6.9942 6.9942 6.9942 6.9942 7.9571 7.9571 7.9571 7.9571 8.2139 8.2139 8.2139 8.2139 11.7343 11.7343 11.7343 11.7343 12.0198 12.0198 12.0198 12.0198 k = 0.5000 0.0121-0.0000 ( 5976 PWs) bands (ev): -0.3896 -0.3896 -0.3894 -0.3894 0.0456 0.0456 0.0469 0.0469 5.5039 5.5039 5.5106 5.5106 5.6243 5.6243 5.6266 5.6266 6.4738 6.4738 6.4748 6.4748 6.9943 6.9943 6.9944 6.9944 7.9605 7.9605 7.9611 7.9611 8.2135 8.2135 8.2156 8.2156 11.7181 11.7181 11.7236 11.7236 12.0171 12.0171 12.0232 12.0232 k = 0.5000 0.0241-0.0000 ( 5972 PWs) bands (ev): -0.3879 -0.3879 -0.3876 -0.3876 0.0457 0.0457 0.0483 0.0483 5.4525 5.4525 5.4616 5.4616 5.6722 5.6722 5.6722 5.6722 6.4667 6.4667 6.4685 6.4685 6.9946 6.9946 6.9947 6.9947 7.9714 7.9714 7.9724 7.9724 8.2144 8.2144 8.2186 8.2186 11.6779 11.6779 11.6883 11.6883 12.0155 12.0155 12.0258 12.0258 k = 0.5000 0.0362-0.0000 ( 5968 PWs) bands (ev): -0.3850 -0.3850 -0.3845 -0.3845 0.0462 0.0462 0.0502 0.0502 5.3988 5.3988 5.4098 5.4098 5.7176 5.7176 5.7203 5.7203 6.4561 6.4561 6.4584 6.4584 6.9950 6.9950 6.9951 6.9951 7.9893 7.9893 7.9905 7.9905 8.2166 8.2166 8.2231 8.2231 11.6194 11.6194 11.6339 11.6339 12.0143 12.0143 12.0265 12.0265 k = 0.5000 0.0482-0.0000 ( 5976 PWs) bands (ev): -0.3810 -0.3810 -0.3803 -0.3803 0.0472 0.0472 0.0525 0.0525 5.3445 5.3445 5.3570 5.3570 5.7604 5.7604 5.7664 5.7664 6.4429 6.4429 6.4452 6.4452 6.9956 6.9956 6.9956 6.9956 8.0137 8.0137 8.0149 8.0149 8.2205 8.2205 8.2292 8.2292 11.5477 11.5477 11.5655 11.5655 12.0122 12.0122 12.0254 12.0254 k = 0.5000 0.0603-0.0000 ( 5982 PWs) bands (ev): -0.3758 -0.3758 -0.3749 -0.3749 0.0487 0.0487 0.0552 0.0552 5.2901 5.2901 5.3041 5.3041 5.7995 5.7995 5.8092 5.8092 6.4285 6.4285 6.4304 6.4304 6.9962 6.9962 6.9964 6.9964 8.0438 8.0438 8.0444 8.0444 8.2261 8.2261 8.2371 8.2371 11.4665 11.4665 11.4867 11.4867 12.0084 12.0084 12.0224 12.0224 k = 0.5000 0.0724-0.0000 ( 5990 PWs) bands (ev): -0.3696 -0.3696 -0.3685 -0.3685 0.0505 0.0505 0.0582 0.0582 5.2360 5.2360 5.2512 5.2512 5.8335 5.8335 5.8473 5.8473 6.4148 6.4148 6.4156 6.4156 6.9966 6.9966 6.9971 6.9971 8.0780 8.0780 8.0784 8.0784 8.2341 8.2341 8.2477 8.2477 11.3781 11.3781 11.4002 11.4002 12.0021 12.0021 12.0169 12.0169 k = 0.5000 0.0844-0.0000 ( 5992 PWs) bands (ev): -0.3622 -0.3622 -0.3609 -0.3609 0.0527 0.0527 0.0616 0.0616 5.1824 5.1824 5.1988 5.1988 5.8609 5.8609 5.8792 5.8792 6.4029 6.4029 6.4037 6.4037 6.9971 6.9971 6.9979 6.9979 8.1138 8.1138 8.1159 8.1159 8.2456 8.2456 8.2620 8.2620 11.2842 11.2842 11.3079 11.3079 11.9922 11.9922 12.0081 12.0081 k = 0.5000 0.0965-0.0000 ( 5986 PWs) bands (ev): -0.3539 -0.3539 -0.3523 -0.3523 0.0551 0.0551 0.0652 0.0652 5.1296 5.1296 5.1469 5.1469 5.8804 5.8804 5.9032 5.9032 6.3943 6.3943 6.3971 6.3971 6.9973 6.9973 6.9987 6.9987 8.1494 8.1494 8.1533 8.1533 8.2629 8.2629 8.2821 8.2821 11.1861 11.1861 11.2110 11.2110 11.9773 11.9773 11.9946 11.9946 k = 0.5000 0.1085-0.0000 ( 5978 PWs) bands (ev): -0.3445 -0.3445 -0.3427 -0.3427 0.0578 0.0578 0.0689 0.0689 5.0778 5.0778 5.0959 5.0959 5.8906 5.8906 5.9177 5.9177 6.3920 6.3920 6.3967 6.3967 6.9975 6.9975 6.9994 6.9994 8.1815 8.1815 8.1865 8.1865 8.2898 8.2898 8.3106 8.3106 11.0847 11.0847 11.1107 11.1107 11.9561 11.9561 11.9743 11.9743 k = 0.5000 0.1206-0.0000 ( 5978 PWs) bands (ev): -0.3343 -0.3343 -0.3322 -0.3322 0.0607 0.0607 0.0727 0.0727 5.0272 5.0272 5.0459 5.0459 5.8912 5.8912 5.9217 5.9217 6.3973 6.3973 6.4034 6.4034 6.9974 6.9974 7.0000 7.0000 8.2082 8.2082 8.2126 8.2126 8.3289 8.3289 8.3492 8.3492 10.9808 10.9808 11.0076 11.0076 11.9272 11.9272 11.9449 11.9449 k = 0.5000 0.1327-0.0000 ( 5986 PWs) bands (ev): -0.3232 -0.3232 -0.3208 -0.3208 0.0636 0.0636 0.0766 0.0766 4.9780 4.9780 4.9971 4.9971 5.8828 5.8828 5.9156 5.9156 6.4103 6.4103 6.4170 6.4170 6.9972 6.9972 7.0004 7.0004 8.2301 8.2301 8.2330 8.2330 8.3785 8.3785 8.3971 8.3971 10.8750 10.8750 10.9026 10.9026 11.8892 11.8892 11.9045 11.9045 k = 0.5000 0.1447-0.0000 ( 5994 PWs) bands (ev): -0.3113 -0.3113 -0.3087 -0.3087 0.0666 0.0666 0.0803 0.0803 4.9303 4.9303 4.9498 4.9498 5.8667 5.8667 5.9008 5.9008 6.4298 6.4298 6.4363 6.4363 6.9968 6.9968 7.0008 7.0008 8.2492 8.2492 8.2509 8.2509 8.4352 8.4352 8.4522 8.4522 10.7680 10.7680 10.7962 10.7962 11.8412 11.8412 11.8522 11.8522 k = 0.5000 0.1568-0.0000 ( 5998 PWs) bands (ev): -0.2987 -0.2987 -0.2958 -0.2958 0.0695 0.0695 0.0839 0.0839 4.8844 4.8844 4.9040 4.9040 5.8446 5.8446 5.8791 5.8791 6.4542 6.4542 6.4599 6.4599 6.9962 6.9962 7.0010 7.0010 8.2674 8.2674 8.2683 8.2683 8.4969 8.4969 8.5124 8.5124 10.6601 10.6601 10.6890 10.6890 11.7831 11.7831 11.7887 11.7887 k = 0.5000 0.1688-0.0000 ( 5998 PWs) bands (ev): -0.2856 -0.2856 -0.2823 -0.2823 0.0722 0.0722 0.0873 0.0873 4.8404 4.8404 4.8599 4.8599 5.8183 5.8183 5.8525 5.8525 6.4816 6.4816 6.4863 6.4863 6.9956 6.9956 7.0011 7.0011 8.2858 8.2858 8.2865 8.2865 8.5624 8.5624 8.5767 8.5767 10.5520 10.5520 10.5814 10.5814 11.7151 11.7151 11.7153 11.7153 k = 0.5000 0.1809-0.0000 ( 5994 PWs) bands (ev): -0.2719 -0.2719 -0.2682 -0.2682 0.0747 0.0747 0.0903 0.0903 4.7984 4.7984 4.8178 4.8178 5.7893 5.7893 5.8228 5.8228 6.5107 6.5107 6.5140 6.5140 6.9948 6.9948 7.0012 7.0012 8.3054 8.3054 8.3062 8.3062 8.6310 8.6310 8.6443 8.6443 10.4439 10.4439 10.4739 10.4739 11.6339 11.6339 11.6385 11.6385 k = 0.5000 0.1929-0.0000 ( 5998 PWs) bands (ev): -0.2577 -0.2577 -0.2538 -0.2538 0.0770 0.0770 0.0929 0.0929 4.7587 4.7587 4.7778 4.7778 5.7587 5.7587 5.7911 5.7911 6.5402 6.5402 6.5422 6.5422 6.9942 6.9942 7.0013 7.0013 8.3266 8.3266 8.3279 8.3279 8.7022 8.7022 8.7147 8.7147 10.3363 10.3363 10.3668 10.3668 11.5461 11.5461 11.5547 11.5547 k = 0.5000 0.2050-0.0000 ( 6000 PWs) bands (ev): -0.2433 -0.2433 -0.2390 -0.2390 0.0789 0.0789 0.0950 0.0950 4.7214 4.7214 4.7399 4.7399 5.7275 5.7275 5.7585 5.7585 6.5692 6.5692 6.5698 6.5698 6.9936 6.9936 7.0014 7.0014 8.3499 8.3499 8.3520 8.3520 8.7758 8.7758 8.7874 8.7874 10.2296 10.2296 10.2607 10.2607 11.4535 11.4535 11.4653 11.4653 k = 0.5000 0.2171-0.0000 ( 6004 PWs) bands (ev): -0.2287 -0.2287 -0.2241 -0.2241 0.0803 0.0803 0.0966 0.0966 4.6865 4.6865 4.7044 4.7044 5.6965 5.6965 5.7259 5.7259 6.5963 6.5963 6.5968 6.5968 6.9933 6.9933 7.0017 7.0017 8.3757 8.3757 8.3788 8.3788 8.8514 8.8514 8.8622 8.8622 10.1241 10.1241 10.1557 10.1557 11.3573 11.3573 11.3715 11.3715 k = 0.5000 0.2291-0.0000 ( 6004 PWs) bands (ev): -0.2141 -0.2141 -0.2091 -0.2091 0.0813 0.0813 0.0975 0.0975 4.6542 4.6542 4.6712 4.6712 5.6663 5.6663 5.6939 5.6939 6.6211 6.6211 6.6227 6.6227 6.9933 6.9933 7.0021 7.0021 8.4044 8.4044 8.4086 8.4086 8.9289 8.9289 8.9386 8.9386 10.0200 10.0200 10.0524 10.0524 11.2587 11.2587 11.2747 11.2747 k = 0.5000 0.2412-0.0000 ( 6008 PWs) bands (ev): -0.1995 -0.1995 -0.1943 -0.1943 0.0819 0.0819 0.0978 0.0978 4.6246 4.6246 4.6407 4.6407 5.6374 5.6374 5.6629 5.6629 6.6439 6.6439 6.6464 6.6464 6.9937 6.9937 7.0028 7.0028 8.4361 8.4361 8.4415 8.4415 9.0079 9.0079 9.0163 9.0163 9.9179 9.9179 9.9512 9.9512 11.1588 11.1588 11.1760 11.1760 k = 0.5000 0.2532-0.0000 ( 6008 PWs) bands (ev): -0.1852 -0.1852 -0.1798 -0.1798 0.0820 0.0820 0.0975 0.0975 4.5978 4.5978 4.6127 4.6127 5.6101 5.6101 5.6336 5.6336 6.6644 6.6644 6.6676 6.6676 6.9946 6.9946 7.0038 7.0038 8.4711 8.4711 8.4776 8.4776 9.0882 9.0882 9.0947 9.0947 9.8180 9.8180 9.8527 9.8527 11.0583 11.0583 11.0763 11.0763 k = 0.5000 0.2653-0.0000 ( 5996 PWs) bands (ev): -0.1713 -0.1713 -0.1658 -0.1658 0.0816 0.0816 0.0965 0.0965 4.5738 4.5738 4.5874 4.5874 5.5849 5.5849 5.6062 5.6062 6.6825 6.6825 6.6861 6.6861 6.9961 6.9961 7.0051 7.0051 8.5094 8.5094 8.5171 8.5171 9.1691 9.1691 9.1729 9.1729 9.7208 9.7208 9.7576 9.7576 10.9582 10.9582 10.9767 10.9767 k = 0.5000 0.2774-0.0000 ( 5994 PWs) bands (ev): -0.1581 -0.1581 -0.1525 -0.1525 0.0809 0.0809 0.0949 0.0949 4.5527 4.5527 4.5649 4.5649 5.5622 5.5622 5.5810 5.5810 6.6981 6.6981 6.7019 6.7019 6.9980 6.9980 7.0066 7.0066 8.5511 8.5511 8.5599 8.5599 9.2488 9.2488 9.2499 9.2499 9.6269 9.6269 9.6677 9.6677 10.8594 10.8594 10.8781 10.8781 k = 0.5000 0.2894-0.0000 ( 6000 PWs) bands (ev): -0.1457 -0.1457 -0.1402 -0.1402 0.0799 0.0799 0.0928 0.0928 4.5345 4.5345 4.5452 4.5452 5.5421 5.5421 5.5585 5.5585 6.7113 6.7113 6.7149 6.7149 7.0003 7.0003 7.0082 7.0082 8.5960 8.5960 8.6057 8.6057 9.3175 9.3175 9.3286 9.3286 9.5380 9.5380 9.5877 9.5877 10.7632 10.7632 10.7817 10.7817 k = 0.5000 0.3015-0.0000 ( 6000 PWs) bands (ev): -0.1343 -0.1343 -0.1292 -0.1292 0.0788 0.0788 0.0903 0.0903 4.5192 4.5192 4.5283 4.5283 5.5249 5.5249 5.5387 5.5387 6.7221 6.7221 6.7254 6.7254 7.0028 7.0028 7.0099 7.0099 8.6438 8.6438 8.6542 8.6542 9.3604 9.3604 9.3921 9.3921 9.4668 9.4668 9.5353 9.5353 10.6710 10.6710 10.6889 10.6889 k = 0.5000 0.3135-0.0000 ( 6002 PWs) bands (ev): -0.1243 -0.1243 -0.1198 -0.1198 0.0778 0.0778 0.0875 0.0875 4.5069 4.5069 4.5143 4.5143 5.5108 5.5108 5.5220 5.5220 6.7306 6.7306 6.7335 6.7335 7.0055 7.0055 7.0113 7.0113 8.6937 8.6937 8.7045 8.7045 9.3415 9.3415 9.3540 9.3540 9.4988 9.4988 9.5456 9.5456 10.5850 10.5850 10.6018 10.6018 k = 0.5000 0.3256-0.0000 ( 5992 PWs) bands (ev): -0.1159 -0.1159 -0.1122 -0.1122 0.0770 0.0770 0.0847 0.0847 4.4975 4.4975 4.5031 4.5031 5.5000 5.5000 5.5084 5.5084 6.7372 6.7372 6.7395 6.7395 7.0079 7.0079 7.0125 7.0125 8.7442 8.7442 8.7548 8.7548 9.2829 9.2829 9.2846 9.2846 9.5646 9.5646 9.5932 9.5932 10.5087 10.5087 10.5233 10.5233 k = 0.5000 0.3377-0.0000 ( 5996 PWs) bands (ev): -0.1094 -0.1094 -0.1067 -0.1067 0.0766 0.0766 0.0820 0.0820 4.4911 4.4911 4.4949 4.4949 5.4926 5.4926 5.4983 5.4983 6.7418 6.7418 6.7434 6.7434 7.0101 7.0101 7.0132 7.0132 8.7922 8.7922 8.8016 8.8016 9.2193 9.2193 9.2250 9.2250 9.6226 9.6226 9.6410 9.6410 10.4468 10.4468 10.4582 10.4582 k = 0.5000 0.3497-0.0000 ( 5992 PWs) bands (ev): -0.1050 -0.1050 -0.1036 -0.1036 0.0769 0.0769 0.0797 0.0797 4.4876 4.4876 4.4895 4.4895 5.4887 5.4887 5.4915 5.4915 6.7447 6.7447 6.7456 6.7456 7.0118 7.0118 7.0133 7.0133 8.8312 8.8312 8.8372 8.8372 9.1732 9.1732 9.1778 9.1778 9.6645 9.6645 9.6738 9.6738 10.4064 10.4064 10.4128 10.4128 k = 0.5000 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.1031 -0.1031 -0.1031 -0.1031 0.0779 0.0779 0.0779 0.0779 4.4871 4.4871 4.4871 4.4871 5.4883 5.4883 5.4883 5.4883 6.7460 6.7460 6.7460 6.7460 7.0129 7.0129 7.0129 7.0129 8.8492 8.8492 8.8492 8.8492 9.1573 9.1573 9.1573 9.1573 9.6828 9.6828 9.6828 9.6828 10.3943 10.3943 10.3943 10.3943 k = 0.5000 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.1031 -0.1031 -0.1031 -0.1031 0.0779 0.0779 0.0779 0.0779 4.4871 4.4871 4.4871 4.4871 5.4883 5.4883 5.4883 5.4883 6.7460 6.7460 6.7460 6.7460 7.0129 7.0129 7.0129 7.0129 8.8492 8.8492 8.8492 8.8492 9.1573 9.1573 9.1573 9.1573 9.6828 9.6828 9.6828 9.6828 10.3943 10.3943 10.3943 10.3943 k = 0.4878 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.1460 -0.1460 -0.1408 -0.1408 0.1167 0.1167 0.1223 0.1223 4.4856 4.4856 4.4872 4.4872 5.4876 5.4876 5.4903 5.4903 6.7418 6.7418 6.7429 6.7429 7.0156 7.0156 7.0180 7.0180 8.8443 8.8443 8.8467 8.8467 9.1561 9.1561 9.1587 9.1587 9.6819 9.6819 9.6898 9.6898 10.3966 10.3966 10.4002 10.4002 k = 0.4756 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.2243 -0.2243 -0.2178 -0.2178 0.1973 0.1973 0.2044 0.2044 4.4827 4.4827 4.4859 4.4859 5.4881 5.4881 5.4933 5.4933 6.7311 6.7311 6.7330 6.7330 7.0257 7.0257 7.0304 7.0304 8.8320 8.8320 8.8367 8.8367 9.1555 9.1555 9.1603 9.1603 9.6871 9.6871 9.7024 9.7024 10.4073 10.4073 10.4144 10.4144 k = 0.4634 0.3618-0.0000 ( 5996 PWs) bands (ev): -0.3099 -0.3099 -0.3033 -0.3033 0.2887 0.2887 0.2963 0.2963 4.4785 4.4785 4.4832 4.4832 5.4895 5.4895 5.4974 5.4974 6.7155 6.7155 6.7176 6.7176 7.0420 7.0420 7.0484 7.0484 8.8125 8.8125 8.8197 8.8197 9.1565 9.1565 9.1627 9.1627 9.6980 9.6980 9.7196 9.7196 10.4261 10.4261 10.4364 10.4364 k = 0.4512 0.3618-0.0000 ( 5996 PWs) bands (ev): -0.3969 -0.3969 -0.3902 -0.3902 0.3839 0.3839 0.3918 0.3918 4.4733 4.4733 4.4795 4.4795 5.4918 5.4918 5.5022 5.5022 6.6966 6.6966 6.6984 6.6984 7.0632 7.0632 7.0708 7.0708 8.7866 8.7866 8.7960 8.7960 9.1598 9.1598 9.1668 9.1668 9.7135 9.7135 9.7402 9.7402 10.4528 10.4528 10.4657 10.4657 k = 0.4390 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.4834 -0.4834 -0.4769 -0.4769 0.4811 0.4811 0.4892 0.4892 4.4673 4.4673 4.4749 4.4749 5.4944 5.4944 5.5074 5.5074 6.6757 6.6757 6.6770 6.6770 7.0879 7.0879 7.0964 7.0964 8.7550 8.7550 8.7664 8.7664 9.1659 9.1659 9.1731 9.1731 9.7327 9.7327 9.7633 9.7633 10.4866 10.4866 10.5017 10.5017 k = 0.4268 0.3618-0.0000 ( 5994 PWs) bands (ev): -0.5689 -0.5689 -0.5625 -0.5625 0.5794 0.5794 0.5876 0.5876 4.4607 4.4607 4.4697 4.4697 5.4971 5.4971 5.5126 5.5126 6.6541 6.6541 6.6544 6.6544 7.1153 7.1153 7.1245 7.1245 8.7188 8.7188 8.7319 8.7319 9.1751 9.1751 9.1821 9.1821 9.7547 9.7547 9.7879 9.7879 10.5268 10.5268 10.5435 10.5435 k = 0.4146 0.3618-0.0000 ( 5986 PWs) bands (ev): -0.6529 -0.6529 -0.6467 -0.6467 0.6782 0.6782 0.6866 0.6866 4.4541 4.4541 4.4643 4.4643 5.4993 5.4993 5.5173 5.5173 6.6318 6.6318 6.6327 6.6327 7.1450 7.1450 7.1546 7.1546 8.6791 8.6791 8.6936 8.6936 9.1875 9.1875 9.1940 9.1940 9.7786 9.7786 9.8136 9.8136 10.5724 10.5724 10.5903 10.5903 k = 0.4024 0.3618-0.0000 ( 5978 PWs) bands (ev): -0.7353 -0.7353 -0.7292 -0.7292 0.7771 0.7771 0.7856 0.7856 4.4478 4.4478 4.4591 4.4591 5.5005 5.5005 5.5210 5.5210 6.6100 6.6100 6.6123 6.6123 7.1766 7.1766 7.1865 7.1865 8.6369 8.6369 8.6525 8.6525 9.2029 9.2029 9.2089 9.2089 9.8041 9.8041 9.8401 9.8401 10.6223 10.6223 10.6409 10.6409 k = 0.3902 0.3618-0.0000 ( 5974 PWs) bands (ev): -0.8159 -0.8159 -0.8099 -0.8099 0.8758 0.8758 0.8845 0.8845 4.4422 4.4422 4.4545 4.4545 5.5002 5.5002 5.5230 5.5230 6.5898 6.5898 6.5935 6.5935 7.2098 7.2098 7.2199 7.2199 8.5930 8.5930 8.6095 8.6095 9.2213 9.2213 9.2267 9.2267 9.8309 9.8309 9.8673 9.8673 10.6752 10.6752 10.6941 10.6941 k = 0.3780 0.3618-0.0000 ( 5978 PWs) bands (ev): -0.8945 -0.8945 -0.8887 -0.8887 0.9739 0.9739 0.9826 0.9826 4.4378 4.4378 4.4510 4.4510 5.4978 5.4978 5.5228 5.5228 6.5719 6.5719 6.5771 6.5771 7.2446 7.2446 7.2548 7.2548 8.5482 8.5482 8.5654 8.5654 9.2425 9.2425 9.2474 9.2474 9.8586 9.8586 9.8951 9.8951 10.7295 10.7295 10.7484 10.7484 k = 0.3659 0.3618-0.0000 ( 5964 PWs) bands (ev): -0.9712 -0.9712 -0.9656 -0.9656 1.0710 1.0710 1.0798 1.0798 4.4350 4.4350 4.4491 4.4491 5.4930 5.4930 5.5198 5.5198 6.5569 6.5569 6.5635 6.5635 7.2810 7.2810 7.2911 7.2911 8.5030 8.5030 8.5208 8.5208 9.2665 9.2665 9.2708 9.2708 9.8872 9.8872 9.9234 9.9234 10.7835 10.7835 10.8019 10.8019 k = 0.3537 0.3618-0.0000 ( 5954 PWs) bands (ev): -1.0458 -1.0458 -1.0403 -1.0403 1.1667 1.1667 1.1756 1.1756 4.4345 4.4345 4.4493 4.4493 5.4852 5.4852 5.5137 5.5137 6.5454 6.5454 6.5534 6.5534 7.3187 7.3187 7.3287 7.3287 8.4581 8.4581 8.4762 8.4762 9.2933 9.2933 9.2969 9.2969 9.9166 9.9166 9.9523 9.9523 10.8348 10.8348 10.8524 10.8524 k = 0.3415 0.3618-0.0000 ( 5946 PWs) bands (ev): -1.1183 -1.1183 -1.1130 -1.1130 1.2607 1.2607 1.2696 1.2696 4.4367 4.4367 4.4521 4.4521 5.4742 5.4742 5.5041 5.5041 6.5378 6.5378 6.5470 6.5470 7.3578 7.3578 7.3677 7.3677 8.4137 8.4137 8.4322 8.4322 9.3226 9.3226 9.3256 9.3256 9.9465 9.9465 9.9817 9.9817 10.8805 10.8805 10.8968 10.8968 k = 0.3293 0.3618-0.0000 ( 5954 PWs) bands (ev): -1.1886 -1.1886 -1.1835 -1.1835 1.3524 1.3524 1.3612 1.3612 4.4422 4.4422 4.4580 4.4580 5.4599 5.4599 5.4908 5.4908 6.5343 6.5343 6.5445 6.5445 7.3982 7.3982 7.4078 7.4078 8.3704 8.3704 8.3891 8.3891 9.3545 9.3545 9.3567 9.3567 9.9770 9.9770 10.0114 10.0114 10.9169 10.9169 10.9314 10.9314 k = 0.3171 0.3618-0.0000 ( 5964 PWs) bands (ev): -1.2567 -1.2567 -1.2517 -1.2517 1.4414 1.4414 1.4502 1.4502 4.4514 4.4514 4.4676 4.4676 5.4422 5.4422 5.4737 5.4737 6.5351 6.5351 6.5460 6.5460 7.4399 7.4399 7.4491 7.4491 8.3283 8.3283 8.3473 8.3473 9.3888 9.3888 9.3903 9.3903 10.0077 10.0077 10.0413 10.0413 10.9399 10.9399 10.9523 10.9523 k = 0.3049 0.3618-0.0000 ( 5968 PWs) bands (ev): -1.3225 -1.3225 -1.3177 -1.3177 1.5272 1.5272 1.5359 1.5359 4.4649 4.4649 4.4812 4.4812 5.4215 5.4215 5.4532 5.4532 6.5400 6.5400 6.5515 6.5515 7.4828 7.4828 7.4916 7.4916 8.2879 8.2879 8.3070 8.3070 9.4255 9.4255 9.4262 9.4262 10.0383 10.0383 10.0710 10.0710 10.9467 10.9467 10.9566 10.9566 k = 0.2927 0.3618-0.0000 ( 5972 PWs) bands (ev): -1.3859 -1.3859 -1.3813 -1.3813 1.6094 1.6094 1.6179 1.6179 4.4832 4.4832 4.4995 4.4995 5.3980 5.3980 5.4294 5.4294 6.5488 6.5488 6.5605 6.5605 7.5267 7.5267 7.5350 7.5350 8.2494 8.2494 8.2686 8.2686 9.4643 9.4643 9.4645 9.4645 10.0684 10.0684 10.1000 10.1000 10.9373 10.9373 10.9446 10.9446 k = 0.2805 0.3618-0.0000 ( 5978 PWs) bands (ev): -1.4471 -1.4471 -1.4426 -1.4426 1.6875 1.6875 1.6958 1.6958 4.5066 4.5066 4.5227 4.5227 5.3721 5.3721 5.4030 5.4030 6.5612 6.5612 6.5728 6.5728 7.5716 7.5716 7.5793 7.5793 8.2130 8.2130 8.2324 8.2324 9.5045 9.5045 9.5058 9.5058 10.0975 10.0975 10.1276 10.1276 10.9146 10.9147 10.9198 10.9198 k = 0.2683 0.3618-0.0000 ( 5982 PWs) bands (ev): -1.5058 -1.5058 -1.5016 -1.5016 1.7611 1.7611 1.7691 1.7691 4.5355 4.5355 4.5512 4.5512 5.3445 5.3445 5.3744 5.3744 6.5765 6.5765 6.5880 6.5880 7.6172 7.6172 7.6243 7.6243 8.1790 8.1790 8.1985 8.1985 9.5465 9.5465 9.5491 9.5491 10.1247 10.1247 10.1529 10.1529 10.8837 10.8837 10.8865 10.8865 k = 0.2561 0.3618-0.0000 ( 5974 PWs) bands (ev): -1.5621 -1.5621 -1.5581 -1.5581 1.8298 1.8298 1.8375 1.8375 4.5700 4.5700 4.5851 4.5851 5.3159 5.3159 5.3443 5.3443 6.5943 6.5943 6.6055 6.6055 7.6634 7.6634 7.6697 7.6697 8.1477 8.1477 8.1673 8.1673 9.5902 9.5902 9.5943 9.5943 10.1489 10.1489 10.1745 10.1745 10.8492 10.8492 10.8495 10.8495 k = 0.2439 0.3618-0.0000 ( 5978 PWs) bands (ev): -1.6160 -1.6160 -1.6121 -1.6121 1.8934 1.8934 1.9007 1.9007 4.6101 4.6101 4.6242 4.6242 5.2869 5.2869 5.3135 5.3135 6.6141 6.6141 6.6248 6.6248 7.7099 7.7099 7.7154 7.7154 8.1194 8.1194 8.1391 8.1391 9.6352 9.6352 9.6414 9.6414 10.1690 10.1690 10.1908 10.1908 10.8127 10.8127 10.8155 10.8155 k = 0.2317 0.3618-0.0000 ( 5982 PWs) bands (ev): -1.6674 -1.6674 -1.6637 -1.6637 1.9517 1.9517 1.9584 1.9584 4.6556 4.6556 4.6683 4.6683 5.2586 5.2586 5.2829 5.2829 6.6353 6.6353 6.6454 6.6454 7.7564 7.7564 7.7609 7.7609 8.0945 8.0945 8.1142 8.1142 9.6812 9.6812 9.6900 9.6900 10.1831 10.1831 10.1997 10.1997 10.7796 10.7796 10.7866 10.7866 k = 0.2195 0.3618-0.0000 ( 5988 PWs) bands (ev): -1.7163 -1.7163 -1.7128 -1.7128 2.0045 2.0045 2.0107 2.0107 4.7057 4.7057 4.7164 4.7164 5.2323 5.2323 5.2536 5.2536 6.6574 6.6574 6.6668 6.6668 7.8021 7.8021 7.8056 7.8056 8.0735 8.0735 8.0931 8.0931 9.7275 9.7275 9.7398 9.7398 10.1899 10.1899 10.1993 10.1993 10.7532 10.7532 10.7655 10.7655 k = 0.2073 0.3618-0.0000 ( 5976 PWs) bands (ev): -1.7627 -1.7627 -1.7594 -1.7594 2.0518 2.0518 2.0576 2.0576 4.7590 4.7590 4.7668 4.7668 5.2099 5.2099 5.2273 5.2273 6.6797 6.6797 6.6884 6.6884 7.8464 7.8464 7.8485 7.8485 8.0574 8.0574 8.0765 8.0765 9.7732 9.7732 9.7905 9.7905 10.1883 10.1883 10.1884 10.1884 10.7358 10.7358 10.7545 10.7545 k = 0.1951 0.3618-0.0000 ( 5980 PWs) bands (ev): -1.8066 -1.8066 -1.8034 -1.8034 2.0939 2.0939 2.0991 2.0991 4.8129 4.8129 4.8164 4.8164 5.1945 5.1945 5.2066 5.2066 6.7019 6.7019 6.7099 6.7099 7.8874 7.8874 7.8876 7.8876 8.0478 8.0478 8.0661 8.0661 9.8168 9.8168 9.8413 9.8413 10.1671 10.1671 10.1790 10.1790 10.7285 10.7285 10.7541 10.7541 k = 0.1829 0.3618-0.0000 ( 5980 PWs) bands (ev): -1.8478 -1.8478 -1.8449 -1.8449 2.1309 2.1309 2.1355 2.1355 4.8600 4.8600 4.8628 4.8628 5.1912 5.1912 5.1961 5.1961 6.7235 6.7235 6.7307 6.7307 7.9194 7.9194 7.9223 7.9223 8.0481 8.0481 8.0643 8.0643 9.8554 9.8554 9.8914 9.8914 10.1372 10.1372 10.1650 10.1650 10.7306 10.7306 10.7634 10.7634 k = 0.1707 0.3618-0.0000 ( 5980 PWs) bands (ev): -1.8865 -1.8865 -1.8838 -1.8838 2.1630 2.1630 2.1671 2.1671 4.8909 4.8909 4.9012 4.9012 5.2026 5.2026 5.2064 5.2064 6.7441 6.7441 6.7505 6.7505 7.9397 7.9397 7.9471 7.9471 8.0621 8.0621 8.0748 8.0748 9.8844 9.8844 9.9379 9.9379 10.1031 10.1031 10.1520 10.1520 10.7405 10.7405 10.7804 10.7804 k = 0.1585 0.3618-0.0000 ( 5974 PWs) bands (ev): -1.9226 -1.9226 -1.9201 -1.9201 2.1907 2.1907 2.1942 2.1942 4.9050 4.9050 4.9215 4.9215 5.2326 5.2326 5.2436 5.2436 6.7634 6.7634 6.7689 6.7689 7.9491 7.9491 7.9605 7.9605 8.0887 8.0887 8.0983 8.0983 9.8972 9.8972 9.9711 9.9711 10.0758 10.0758 10.1480 10.1480 10.7556 10.7556 10.8030 10.8030 k = 0.1463 0.3618-0.0000 ( 5982 PWs) bands (ev): -1.9561 -1.9561 -1.9537 -1.9537 2.2143 2.2143 2.2173 2.2173 4.9045 4.9045 4.9240 4.9240 5.2850 5.2850 5.3000 5.3000 6.7810 6.7810 6.7857 6.7857 7.9527 7.9527 7.9665 7.9665 8.1223 8.1223 8.1303 8.1303 9.8896 9.8896 9.9652 9.9652 10.0825 10.0825 10.1585 10.1585 10.7729 10.7729 10.8286 10.8286 k = 0.1341 0.3618-0.0000 ( 5990 PWs) bands (ev): -1.9870 -1.9870 -1.9848 -1.9848 2.2342 2.2342 2.2368 2.2368 4.8949 4.8949 4.9148 4.9148 5.3528 5.3528 5.3693 5.3693 6.7969 6.7969 6.8008 6.8008 7.9546 7.9546 7.9695 7.9695 8.1581 8.1581 8.1657 8.1657 9.8648 9.8648 9.9271 9.9271 10.1167 10.1167 10.1811 10.1811 10.7878 10.7878 10.8535 10.8535 k = 0.1220 0.3618-0.0000 ( 5982 PWs) bands (ev): -2.0152 -2.0152 -2.0132 -2.0132 2.2508 2.2508 2.2530 2.2530 4.8807 4.8807 4.8997 4.8997 5.4293 5.4293 5.4459 5.4459 6.8108 6.8108 6.8138 6.8138 7.9564 7.9564 7.9717 7.9717 8.1937 8.1937 8.2013 8.2013 9.8294 9.8294 9.8802 9.8802 10.1555 10.1555 10.2094 10.2094 10.7929 10.7929 10.8679 10.8679 k = 0.1098 0.3618-0.0000 ( 5978 PWs) bands (ev): -2.0407 -2.0407 -2.0389 -2.0389 2.2646 2.2646 2.2664 2.2664 4.8648 4.8648 4.8823 4.8823 5.5098 5.5098 5.5259 5.5259 6.8227 6.8227 6.8249 6.8249 7.9587 7.9587 7.9739 7.9739 8.2278 8.2278 8.2356 8.2356 9.7889 9.7889 9.8313 9.8313 10.1920 10.1920 10.2381 10.2381 10.7786 10.7786 10.8488 10.8488 k = 0.0976 0.3618-0.0000 ( 5984 PWs) bands (ev): -2.0636 -2.0636 -2.0620 -2.0620 2.2759 2.2759 2.2773 2.2773 4.8487 4.8487 4.8644 4.8644 5.5910 5.5910 5.6063 5.6063 6.8325 6.8325 6.8341 6.8341 7.9614 7.9614 7.9763 7.9763 8.2595 8.2595 8.2674 8.2674 9.7469 9.7469 9.7830 9.7830 10.2237 10.2237 10.2640 10.2640 10.7428 10.7428 10.7990 10.7990 k = 0.0854 0.3618-0.0000 ( 5990 PWs) bands (ev): -2.0838 -2.0838 -2.0824 -2.0824 2.2850 2.2850 2.2862 2.2862 4.8335 4.8335 4.8473 4.8473 5.6706 5.6706 5.6848 5.6848 6.8405 6.8405 6.8413 6.8413 7.9644 7.9644 7.9785 7.9785 8.2882 8.2882 8.2960 8.2960 9.7057 9.7057 9.7368 9.7368 10.2497 10.2497 10.2854 10.2854 10.6942 10.6942 10.7399 10.7399 k = 0.0732 0.3618-0.0000 ( 5986 PWs) bands (ev): -2.1013 -2.1013 -2.1001 -2.1001 2.2923 2.2923 2.2932 2.2932 4.8196 4.8196 4.8315 4.8315 5.7461 5.7461 5.7590 5.7590 6.8466 6.8466 6.8469 6.8469 7.9672 7.9672 7.9802 7.9802 8.3135 8.3135 8.3211 8.3211 9.6671 9.6671 9.6939 9.6939 10.2702 10.2702 10.3020 10.3020 10.6412 10.6412 10.6802 10.6802 k = 0.0610 0.3618-0.0000 ( 5978 PWs) bands (ev): -2.1161 -2.1161 -2.1151 -2.1151 2.2980 2.2980 2.2987 2.2987 4.8076 4.8076 4.8175 4.8175 5.8154 5.8154 5.8268 5.8268 6.8508 6.8508 6.8510 6.8510 7.9697 7.9697 7.9813 7.9813 8.3353 8.3353 8.3423 8.3423 9.6326 9.6326 9.6552 9.6552 10.2858 10.2858 10.3143 10.3143 10.5889 10.5889 10.6232 10.6232 k = 0.0488 0.3618-0.0000 ( 5986 PWs) bands (ev): -2.1282 -2.1282 -2.1274 -2.1274 2.3024 2.3024 2.3029 2.3029 4.7977 4.7977 4.8056 4.8056 5.8763 5.8763 5.8859 5.8859 6.8535 6.8535 6.8540 6.8540 7.9717 7.9717 7.9816 7.9816 8.3533 8.3533 8.3594 8.3594 9.6032 9.6032 9.6217 9.6217 10.2981 10.2981 10.3238 10.3238 10.5408 10.5408 10.5712 10.5712 k = 0.0366 0.3618-0.0000 ( 5986 PWs) bands (ev): -2.1376 -2.1376 -2.1370 -2.1370 2.3056 2.3056 2.3060 2.3060 4.7900 4.7900 4.7960 4.7960 5.9268 5.9268 5.9344 5.9344 6.8552 6.8552 6.8558 6.8558 7.9733 7.9733 7.9812 7.9812 8.3675 8.3675 8.3724 8.3724 9.5801 9.5801 9.5942 9.5942 10.3089 10.3089 10.3316 10.3316 10.4992 10.4992 10.5257 10.5257 k = 0.0244 0.3618-0.0000 ( 5990 PWs) bands (ev): -2.1443 -2.1443 -2.1439 -2.1439 2.3078 2.3078 2.3081 2.3081 4.7847 4.7847 4.7887 4.7887 5.9650 5.9650 5.9702 5.9702 6.8562 6.8562 6.8567 6.8567 7.9747 7.9747 7.9801 7.9801 8.3779 8.3779 8.3813 8.3813 9.5638 9.5638 9.5734 9.5734 10.3194 10.3194 10.3380 10.3380 10.4668 10.4668 10.4881 10.4881 k = 0.0122 0.3618-0.0000 ( 5994 PWs) bands (ev): -2.1483 -2.1483 -2.1481 -2.1481 2.3091 2.3091 2.3093 2.3093 4.7819 4.7819 4.7839 4.7839 5.9892 5.9892 5.9919 5.9919 6.8567 6.8567 6.8570 6.8570 7.9759 7.9759 7.9787 7.9787 8.3845 8.3845 8.3863 8.3863 9.5548 9.5548 9.5597 9.5597 10.3299 10.3299 10.3413 10.3413 10.4474 10.4474 10.4602 10.4602 k = 0.0000 0.3618-0.0000 ( 6002 PWs) bands (ev): -2.1495 -2.1495 -2.1495 -2.1495 2.3096 2.3096 2.3097 2.3097 4.7816 4.7816 4.7816 4.7816 5.9983 5.9983 5.9983 5.9983 6.8570 6.8570 6.8570 6.8570 7.9773 7.9773 7.9773 7.9773 8.3873 8.3873 8.3873 8.3873 9.5534 9.5534 9.5534 9.5534 10.3385 10.3385 10.3385 10.3385 10.4452 10.4452 10.4452 10.4452 k = 0.0000 0.3618-0.0000 ( 6002 PWs) bands (ev): -2.1495 -2.1495 -2.1495 -2.1495 2.3096 2.3096 2.3097 2.3097 4.7816 4.7816 4.7816 4.7816 5.9983 5.9983 5.9983 5.9983 6.8570 6.8570 6.8570 6.8570 7.9773 7.9773 7.9773 7.9773 8.3873 8.3873 8.3873 8.3873 9.5534 9.5534 9.5534 9.5534 10.3385 10.3385 10.3385 10.3385 10.4452 10.4452 10.4452 10.4452 k = 0.0000 0.3497-0.0000 ( 6000 PWs) bands (ev): -2.1805 -2.1805 -2.1192 -2.1192 2.2875 2.2875 2.3338 2.3338 4.7132 4.7132 4.8495 4.8495 5.9692 5.9692 6.0290 6.0290 6.8373 6.8373 6.8770 6.8770 7.9306 7.9306 8.0261 8.0261 8.3241 8.3241 8.4524 8.4524 9.5435 9.5435 9.5619 9.5619 10.2996 10.2996 10.3594 10.3594 10.3887 10.3887 10.5013 10.5013 k = 0.0000 0.3377-0.0000 ( 5992 PWs) bands (ev): -2.2121 -2.2121 -2.0897 -2.0897 2.2674 2.2674 2.3599 2.3599 4.6446 4.6446 4.9164 4.9164 5.9417 5.9417 6.0611 6.0611 6.8188 6.8188 6.8963 6.8963 7.8860 7.8860 8.0772 8.0772 8.2630 8.2630 8.5190 8.5190 9.5324 9.5324 9.5689 9.5689 10.2474 10.2474 10.3177 10.3177 10.3783 10.3783 10.5536 10.5536 k = 0.0000 0.3256-0.0000 ( 5993 PWs) bands (ev): -2.2441 -2.2441 -2.0612 -2.0612 2.2493 2.2493 2.3880 2.3880 4.5764 4.5764 4.9817 4.9817 5.9159 5.9159 6.0948 6.0948 6.8023 6.8023 6.9138 6.9138 7.8434 7.8434 8.1303 8.1303 8.2045 8.2045 8.5871 8.5871 9.5204 9.5204 9.5741 9.5741 10.1856 10.1856 10.2521 10.2521 10.3783 10.3783 10.6017 10.6017 k = 0.0000 0.3135-0.0000 ( 6001 PWs) bands (ev): -2.2764 -2.2764 -2.0336 -2.0336 2.2331 2.2331 2.4180 2.4180 4.5090 4.5090 5.0452 5.0452 5.8916 5.8916 6.1299 6.1299 6.7885 6.7885 6.9283 6.9283 7.8026 7.8026 8.1466 8.1466 8.1878 8.1878 8.6563 8.6563 9.5076 9.5076 9.5773 9.5773 10.1190 10.1190 10.1833 10.1833 10.3714 10.3714 10.6455 10.6455 k = 0.0000 0.3015-0.0000 ( 5997 PWs) bands (ev): -2.3090 -2.3090 -2.0071 -2.0071 2.2188 2.2188 2.4497 2.4497 4.4430 4.4430 5.1064 5.1064 5.8690 5.8690 6.1664 6.1664 6.7778 6.7778 6.9387 6.9387 7.7634 7.7634 8.0939 8.0939 8.2453 8.2453 8.7263 8.7263 9.4943 9.4943 9.5783 9.5783 10.0519 10.0519 10.1123 10.1123 10.3596 10.3596 10.6847 10.6847 k = 0.0000 0.2894-0.0000 ( 5993 PWs) bands (ev): -2.3415 -2.3415 -1.9818 -1.9818 2.2063 2.2063 2.4831 2.4831 4.3788 4.3788 5.1650 5.1650 5.8480 5.8480 6.2042 6.2042 6.7705 6.7705 6.9438 6.9438 7.7257 7.7257 8.0436 8.0436 8.3058 8.3058 8.7968 8.7968 9.4806 9.4806 9.5771 9.5771 9.9879 9.9879 10.0399 10.0399 10.3444 10.3444 10.7195 10.7195 k = 0.0000 0.2774-0.0000 ( 5981 PWs) bands (ev): -2.3740 -2.3740 -1.9577 -1.9577 2.1955 2.1955 2.5177 2.5177 4.3168 4.3168 5.2209 5.2209 5.8285 5.8285 6.2431 6.2431 6.7668 6.7668 6.9425 6.9425 7.6891 7.6891 7.9966 7.9966 8.3685 8.3685 8.8676 8.8676 9.4667 9.4667 9.5736 9.5736 9.9297 9.9297 9.9670 9.9670 10.3271 10.3271 10.7497 10.7497 k = 0.0000 0.2653-0.0000 ( 5975 PWs) bands (ev): -2.4063 -2.4063 -1.9349 -1.9349 2.1862 2.1862 2.5536 2.5536 4.2577 4.2577 5.2740 5.2740 5.8107 5.8107 6.2832 6.2832 6.7668 6.7668 6.9340 6.9340 7.6535 7.6535 7.9532 7.9532 8.4330 8.4330 8.9381 8.9381 9.4527 9.4527 9.5676 9.5676 9.8775 9.8775 9.8960 9.8960 10.3087 10.3087 10.7755 10.7755 k = 0.0000 0.2532-0.0000 ( 5977 PWs) bands (ev): -2.4382 -2.4382 -1.9133 -1.9133 2.1784 2.1784 2.5902 2.5902 4.2017 4.2017 5.3242 5.3242 5.7944 5.7944 6.3242 6.3242 6.7702 6.7702 6.9176 6.9176 7.6185 7.6185 7.9137 7.9137 8.4989 8.4989 9.0080 9.0080 9.4387 9.4387 9.5593 9.5593 9.8153 9.8153 9.8454 9.8454 10.2898 10.2898 10.7969 10.7969 k = 0.0000 0.2412-0.0000 ( 5973 PWs) bands (ev): -2.4696 -2.4696 -1.8930 -1.8930 2.1718 2.1718 2.6272 2.6272 4.1496 4.1496 5.3716 5.3716 5.7797 5.7797 6.3661 6.3661 6.7767 6.7767 6.8929 6.8929 7.5839 7.5839 7.8782 7.8782 8.5656 8.5656 9.0767 9.0767 9.4249 9.4249 9.5487 9.5487 9.7439 9.7439 9.8163 9.8163 10.2710 10.2710 10.8139 10.8139 k = 0.0000 0.2291-0.0000 ( 5981 PWs) bands (ev): -2.5003 -2.5003 -1.8741 -1.8741 2.1663 2.1663 2.6642 2.6642 4.1018 4.1018 5.4165 5.4165 5.7664 5.7664 6.4087 6.4087 6.7861 6.7861 6.8597 6.8597 7.5495 7.5495 7.8467 7.8467 8.6324 8.6324 9.1437 9.1437 9.4113 9.4113 9.5358 9.5358 9.6729 9.6729 9.8008 9.8008 10.2526 10.2526 10.8266 10.8266 k = 0.0000 0.2171-0.0000 ( 5987 PWs) bands (ev): -2.5303 -2.5303 -1.8565 -1.8565 2.1619 2.1619 2.7008 2.7008 4.0589 4.0589 5.4590 5.4590 5.7546 5.7546 6.4518 6.4518 6.7977 6.7977 6.8182 6.8182 7.5153 7.5153 7.8190 7.8190 8.6985 8.6985 9.2084 9.2084 9.3978 9.3978 9.5204 9.5204 9.6043 9.6043 9.7987 9.7987 10.2350 10.2350 10.8349 10.8349 k = 0.0000 0.2050-0.0000 ( 5985 PWs) bands (ev): -2.5594 -2.5594 -1.8402 -1.8402 2.1583 2.1583 2.7362 2.7362 4.0215 4.0215 5.4995 5.4995 5.7442 5.7442 6.4952 6.4952 6.7687 6.7687 6.8115 6.8115 7.4812 7.4812 7.7947 7.7947 8.7628 8.7628 9.2700 9.2700 9.3844 9.3844 9.5005 9.5005 9.5416 9.5416 9.8099 9.8099 10.2186 10.2186 10.8392 10.8392 k = 0.0000 0.1929-0.0000 ( 5985 PWs) bands (ev): -2.5875 -2.5875 -1.8251 -1.8251 2.1554 2.1554 2.7698 2.7698 3.9901 3.9901 5.5382 5.5382 5.7352 5.7352 6.5387 6.5387 6.7123 6.7123 6.8267 6.8267 7.4475 7.4475 7.7732 7.7732 8.8245 8.8245 9.3256 9.3256 9.3712 9.3712 9.4649 9.4649 9.4990 9.4990 9.8340 9.8340 10.2037 10.2037 10.8394 10.8394 k = 0.0000 0.1809-0.0000 ( 5989 PWs) bands (ev): -2.6144 -2.6144 -1.8113 -1.8113 2.1532 2.1532 2.8012 2.8012 3.9655 3.9655 5.5751 5.5751 5.7277 5.7277 6.5818 6.5818 6.6500 6.6500 6.8431 6.8431 7.4143 7.4143 7.7538 7.7538 8.8829 8.8829 9.3410 9.3410 9.3763 9.3763 9.4316 9.4316 9.4757 9.4757 9.8699 9.8699 10.1907 10.1907 10.8351 10.8351 k = 0.0000 0.1688-0.0000 ( 5979 PWs) bands (ev): -2.6402 -2.6402 -1.7987 -1.7987 2.1515 2.1515 2.8295 2.8295 3.9481 3.9481 5.6102 5.6102 5.7219 5.7219 6.5800 6.5800 6.6268 6.6268 6.8606 6.8606 7.3819 7.3819 7.7358 7.7358 8.9375 8.9375 9.3055 9.3055 9.3675 9.3675 9.4481 9.4481 9.4674 9.4674 9.9161 9.9161 10.1798 10.1798 10.8230 10.8230 k = 0.0000 0.1568-0.0000 ( 5965 PWs) bands (ev): -2.6646 -2.6646 -1.7872 -1.7872 2.1501 2.1501 2.8542 2.8542 3.9382 3.9382 5.6428 5.6428 5.7185 5.7185 6.5086 6.5086 6.6685 6.6685 6.8790 6.8790 7.3504 7.3504 7.7182 7.7182 8.9879 8.9879 9.2556 9.2556 9.3533 9.3533 9.4302 9.4302 9.5142 9.5142 9.9706 9.9706 10.1712 10.1712 10.7931 10.7931 k = 0.0000 0.1447-0.0000 ( 5963 PWs) bands (ev): -2.6876 -2.6876 -1.7769 -1.7769 2.1491 2.1491 2.8750 2.8750 3.9359 3.9359 5.6700 5.6700 5.7204 5.7204 6.4336 6.4336 6.7099 6.7099 6.8983 6.8983 7.3203 7.3203 7.7004 7.7004 9.0341 9.0341 9.2035 9.2035 9.3422 9.3422 9.4083 9.4083 9.5653 9.5653 10.0313 10.0313 10.1653 10.1653 10.7525 10.7525 k = 0.0000 0.1327-0.0000 ( 5959 PWs) bands (ev): -2.7090 -2.7090 -1.7676 -1.7676 2.1483 2.1483 2.8917 2.8917 3.9412 3.9412 5.6850 5.6850 5.7341 5.7341 6.3568 6.3568 6.7501 6.7501 6.9185 6.9185 7.2917 7.2917 7.6816 7.6816 9.0762 9.0762 9.1531 9.1531 9.3328 9.3328 9.3858 9.3858 9.6148 9.6148 10.0959 10.0959 10.1622 10.1622 10.7107 10.7107 k = 0.0000 0.1206-0.0000 ( 5959 PWs) bands (ev): -2.7289 -2.7289 -1.7594 -1.7594 2.1477 2.1477 2.9043 2.9043 3.9535 3.9535 5.6886 5.6886 5.7587 5.7587 6.2794 6.2794 6.7888 6.7888 6.9395 6.9395 7.2648 7.2648 7.6613 7.6613 9.1019 9.1019 9.1184 9.1184 9.3246 9.3246 9.3633 9.3633 9.6612 9.6612 10.1573 10.1573 10.1674 10.1674 10.6696 10.6696 k = 0.0000 0.1085-0.0000 ( 5955 PWs) bands (ev): -2.7471 -2.7471 -1.7521 -1.7521 2.1472 2.1472 2.9132 2.9132 3.9720 3.9720 5.6882 5.6882 5.7863 5.7863 6.2027 6.2027 6.8255 6.8255 6.9616 6.9616 7.2400 7.2400 7.6391 7.6391 9.0602 9.0602 9.1511 9.1511 9.3173 9.3173 9.3413 9.3413 9.7036 9.7036 10.1634 10.1634 10.2307 10.2307 10.6299 10.6299 k = 0.0000 0.0965-0.0000 ( 5973 PWs) bands (ev): -2.7636 -2.7636 -1.7457 -1.7457 2.1468 2.1468 2.9189 2.9189 3.9954 3.9954 5.6869 5.6869 5.8135 5.8135 6.1282 6.1282 6.8599 6.8599 6.9845 6.9845 7.2176 7.2176 7.6149 7.6149 9.0200 9.0200 9.1829 9.1829 9.3107 9.3107 9.3201 9.3201 9.7413 9.7413 10.1686 10.1686 10.2956 10.2956 10.5918 10.5918 k = 0.0000 0.0844-0.0000 ( 5975 PWs) bands (ev): -2.7782 -2.7782 -1.7402 -1.7402 2.1465 2.1465 2.9219 2.9219 4.0224 4.0224 5.6853 5.6853 5.8390 5.8390 6.0573 6.0573 6.8915 6.8915 7.0081 7.0081 7.1979 7.1979 7.5887 7.5887 8.9840 8.9840 9.2115 9.2115 9.2989 9.2989 9.3062 9.3062 9.7738 9.7738 10.1763 10.1763 10.3569 10.3569 10.5556 10.5556 k = 0.0000 0.0724-0.0000 ( 5987 PWs) bands (ev): -2.7911 -2.7911 -1.7355 -1.7355 2.1462 2.1462 2.9230 2.9230 4.0513 4.0513 5.6836 5.6836 5.8619 5.8619 5.9919 5.9919 6.9199 6.9199 7.0317 7.0317 7.1815 7.1815 7.5609 7.5609 8.9524 8.9524 9.2368 9.2368 9.2807 9.2807 9.3012 9.3012 9.8011 9.8011 10.1863 10.1863 10.4123 10.4123 10.5220 10.5220 k = 0.0000 0.0603-0.0000 ( 5987 PWs) bands (ev): -2.8020 -2.8020 -1.7316 -1.7316 2.1460 2.1460 2.9228 2.9228 4.0803 4.0803 5.6817 5.6817 5.8799 5.8799 5.9352 5.9352 6.9448 6.9448 7.0543 7.0543 7.1694 7.1694 7.5320 7.5320 8.9253 8.9253 9.2586 9.2586 9.2641 9.2641 9.2972 9.2972 9.8232 9.8232 10.1982 10.1982 10.4571 10.4571 10.4945 10.4945 k = 0.0000 0.0482-0.0000 ( 5979 PWs) bands (ev): -2.8110 -2.8110 -1.7285 -1.7285 2.1458 2.1458 2.9219 2.9219 4.1076 4.1076 5.6795 5.6795 5.8714 5.8714 5.9103 5.9103 6.9658 6.9658 7.0735 7.0735 7.1632 7.1632 7.5032 7.5032 8.9029 8.9029 9.2500 9.2500 9.2768 9.2768 9.2942 9.2942 9.8404 9.8404 10.2115 10.2115 10.4540 10.4540 10.5097 10.5097 k = 0.0000 0.0362-0.0000 ( 5979 PWs) bands (ev): -2.8180 -2.8180 -1.7261 -1.7261 2.1457 2.1457 2.9207 2.9207 4.1314 4.1314 5.6768 5.6768 5.8351 5.8351 5.9197 5.9197 6.9825 6.9825 7.0862 7.0862 7.1650 7.1650 7.4758 7.4758 8.8854 8.8854 9.2385 9.2385 9.2890 9.2890 9.2941 9.2941 9.8531 9.8531 10.2254 10.2254 10.4297 10.4297 10.5409 10.5409 k = 0.0000 0.0241-0.0000 ( 5983 PWs) bands (ev): -2.8231 -2.8231 -1.7244 -1.7244 2.1456 2.1456 2.9195 2.9195 4.1498 4.1498 5.6740 5.6740 5.8063 5.8063 5.9291 5.9291 6.9947 6.9947 7.0918 7.0918 7.1734 7.1734 7.4523 7.4523 8.8728 8.8728 9.2301 9.2301 9.2890 9.2890 9.3028 9.3028 9.8618 9.8618 10.2385 10.2385 10.4083 10.4083 10.5645 10.5645 k = 0.0000 0.0121-0.0000 ( 5985 PWs) bands (ev): -2.8261 -2.8261 -1.7234 -1.7234 2.1455 2.1455 2.9187 2.9187 4.1615 4.1615 5.6716 5.6716 5.7889 5.7889 5.9351 5.9351 7.0021 7.0021 7.0932 7.0932 7.1827 7.1827 7.4359 7.4359 8.8653 8.8653 9.2250 9.2250 9.2881 9.2881 9.3091 9.3091 9.8669 9.8669 10.2485 10.2485 10.3932 10.3932 10.5790 10.5790 k = 0.0000 0.0000 0.0000 ( 5981 PWs) bands (ev): -2.8271 -2.8271 -1.7230 -1.7230 2.1455 2.1455 2.9184 2.9184 4.1655 4.1655 5.6706 5.6706 5.7832 5.7832 5.9372 5.9372 7.0046 7.0046 7.0934 7.0934 7.1866 7.1866 7.4298 7.4298 8.8627 8.8627 9.2232 9.2232 9.2878 9.2878 9.3112 9.3112 9.8685 9.8685 10.2523 10.2523 10.3877 10.3877 10.5838 10.5839 k = 0.0000 0.0000 0.0000 ( 5981 PWs) bands (ev): -2.8271 -2.8271 -1.7230 -1.7230 2.1455 2.1455 2.9184 2.9184 4.1655 4.1655 5.6706 5.6706 5.7832 5.7832 5.9372 5.9372 7.0046 7.0046 7.0934 7.0934 7.1866 7.1866 7.4298 7.4298 8.8627 8.8627 9.2232 9.2232 9.2878 9.2878 9.3112 9.3112 9.8685 9.8685 10.2523 10.2523 10.3877 10.3877 10.5838 10.5838 k = 0.0000 0.0000 0.0120 ( 5987 PWs) bands (ev): -2.8260 -2.8260 -1.7246 -1.7246 2.1461 2.1461 2.9172 2.9172 4.1668 4.1668 5.6714 5.6714 5.7814 5.7814 5.9415 5.9415 7.0021 7.0021 7.0960 7.0960 7.1858 7.1858 7.4288 7.4288 8.8646 8.8646 9.1957 9.1957 9.3045 9.3045 9.3189 9.3189 9.8665 9.8665 10.2569 10.2569 10.3679 10.3679 10.6076 10.6076 k = 0.0000 0.0000 0.0240 ( 6000 PWs) bands (ev): -2.8228 -2.8228 -1.7294 -1.7294 2.1477 2.1477 2.9134 2.9134 4.1707 4.1707 5.6735 5.6735 5.7760 5.7760 5.9543 5.9543 6.9946 6.9946 7.1036 7.1036 7.1833 7.1833 7.4257 7.4257 8.8702 8.8702 9.1518 9.1518 9.2893 9.2893 9.3691 9.3691 9.8605 9.8605 10.2654 10.2654 10.3306 10.3306 10.6584 10.6587 k = 0.0000 0.0000 0.0360 ( 5986 PWs) bands (ev): -2.8175 -2.8175 -1.7374 -1.7374 2.1505 2.1505 2.9071 2.9071 4.1773 4.1773 5.6764 5.6764 5.7679 5.7679 5.9757 5.9757 6.9823 6.9823 7.1158 7.1158 7.1792 7.1792 7.4208 7.4208 8.8790 8.8790 9.1077 9.1077 9.2648 9.2648 9.4246 9.4246 9.8502 9.8502 10.2466 10.2466 10.3234 10.3234 10.6120 10.6120 k = 0.0000 0.0000 0.0480 ( 5988 PWs) bands (ev): -2.8100 -2.8100 -1.7484 -1.7484 2.1544 2.1544 2.8982 2.8982 4.1868 4.1868 5.6786 5.6786 5.7585 5.7585 6.0052 6.0052 6.9655 6.9655 7.1314 7.1314 7.1738 7.1738 7.4147 7.4147 8.8906 8.8906 9.0655 9.0655 9.2333 9.2333 9.4828 9.4828 9.8356 9.8356 10.2004 10.2004 10.3510 10.3510 10.5534 10.5534 k = 0.0000 0.0000 0.0600 ( 5988 PWs) bands (ev): -2.8005 -2.8005 -1.7624 -1.7624 2.1594 2.1594 2.8869 2.8869 4.1995 4.1995 5.6773 5.6773 5.7511 5.7511 6.0426 6.0426 6.9444 6.9444 7.1482 7.1482 7.1682 7.1682 7.4080 7.4080 8.9041 8.9041 9.0257 9.0257 9.1970 9.1970 9.5430 9.5430 9.8166 9.8166 10.1514 10.1514 10.3879 10.3879 10.4942 10.4942 k = 0.0000 0.0000 0.0720 ( 5980 PWs) bands (ev): -2.7889 -2.7889 -1.7793 -1.7793 2.1656 2.1656 2.8731 2.8731 4.2155 4.2155 5.6682 5.6682 5.7500 5.7500 6.0872 6.0872 6.9194 6.9194 7.1540 7.1540 7.1728 7.1728 7.4022 7.4022 8.9184 8.9184 8.9887 8.9887 9.1578 9.1578 9.6045 9.6045 9.7935 9.7935 10.1047 10.1047 10.4169 10.4169 10.4482 10.4482 k = 0.0000 0.0000 0.0839 ( 5972 PWs) bands (ev): -2.7752 -2.7752 -1.7989 -1.7989 2.1729 2.1729 2.8570 2.8570 4.2351 4.2351 5.6505 5.6505 5.7566 5.7566 6.1386 6.1386 6.8909 6.8909 7.1461 7.1461 7.1881 7.1881 7.3992 7.3992 8.9310 8.9310 8.9563 8.9563 9.1174 9.1174 9.6664 9.6664 9.7675 9.7675 10.0612 10.0612 10.3782 10.3782 10.4735 10.4735 k = 0.0000 0.0000 0.0959 ( 5978 PWs) bands (ev): -2.7596 -2.7596 -1.8211 -1.8211 2.1813 2.1813 2.8386 2.8386 4.2584 4.2584 5.6261 5.6261 5.7690 5.7690 6.1961 6.1961 6.8594 6.8594 7.1358 7.1358 7.1997 7.1997 7.4013 7.4013 8.9187 8.9187 8.9506 8.9506 9.0773 9.0773 9.7164 9.7164 9.7509 9.7509 10.0210 10.0210 10.3330 10.3330 10.5063 10.5063 k = 0.0000 0.0000 0.1079 ( 5986 PWs) bands (ev): -2.7420 -2.7420 -1.8457 -1.8457 2.1908 2.1908 2.8181 2.8181 4.2854 4.2854 5.5971 5.5971 5.7855 5.7855 6.2589 6.2589 6.8252 6.8252 7.1244 7.1244 7.2041 7.2041 7.4103 7.4103 8.8913 8.8913 8.9606 8.9606 9.0389 9.0389 9.6974 9.6974 9.8008 9.8008 9.9842 9.9842 10.2951 10.2951 10.5291 10.5291 k = 0.0000 0.0000 0.1199 ( 5986 PWs) bands (ev): -2.7224 -2.7224 -1.8725 -1.8725 2.2015 2.2015 2.7958 2.7958 4.3162 4.3162 5.5646 5.5646 5.8050 5.8050 6.3264 6.3264 6.7887 6.7887 7.1125 7.1125 7.2005 7.2005 7.4262 7.4262 8.8657 8.8657 8.9676 8.9676 9.0040 9.0040 9.6639 9.6639 9.8604 9.8604 9.9531 9.9531 10.2661 10.2661 10.5361 10.5361 k = 0.0000 0.0000 0.1319 ( 6002 PWs) bands (ev): -2.7011 -2.7011 -1.9013 -1.9013 2.2134 2.2134 2.7719 2.7719 4.3506 4.3506 5.5293 5.5293 5.8271 5.8271 6.3980 6.3980 6.7504 6.7504 7.1002 7.1002 7.1903 7.1903 7.4466 7.4466 8.8429 8.8429 8.9623 8.9623 8.9811 8.9811 9.6283 9.6283 9.8905 9.8905 9.9542 9.9542 10.2469 10.2469 10.5238 10.5238 k = 0.0000 0.0000 0.1439 ( 6006 PWs) bands (ev): -2.6779 -2.6779 -1.9319 -1.9319 2.2264 2.2264 2.7465 2.7465 4.3885 4.3885 5.4915 5.4915 5.8515 5.8515 6.4727 6.4727 6.7106 6.7106 7.0878 7.0878 7.1755 7.1755 7.4686 7.4686 8.8232 8.8232 8.9385 8.9385 8.9769 8.9769 9.5917 9.5917 9.8695 9.8695 10.0080 10.0080 10.2377 10.2377 10.4920 10.4920 k = 0.0000 0.0000 0.1559 ( 6010 PWs) bands (ev): -2.6530 -2.6530 -1.9642 -1.9642 2.2406 2.2406 2.7201 2.7201 4.4298 4.4298 5.4514 5.4514 5.8780 5.8780 6.5493 6.5493 6.6702 6.6702 7.0757 7.0757 7.1580 7.1580 7.4896 7.4896 8.8065 8.8065 8.9166 8.9166 8.9719 8.9719 9.5540 9.5540 9.8415 9.8415 10.0700 10.0700 10.2382 10.2382 10.4445 10.4445 k = 0.0000 0.0000 0.1679 ( 6002 PWs) bands (ev): -2.6265 -2.6265 -1.9978 -1.9978 2.2559 2.2559 2.6927 2.6927 4.4740 4.4740 5.4091 5.4091 5.9065 5.9065 6.6124 6.6124 6.6443 6.6443 7.0640 7.0640 7.1391 7.1391 7.5070 7.5070 8.7929 8.7929 8.9003 8.9003 8.9633 8.9633 9.5152 9.5152 9.8151 9.8151 10.1313 10.1313 10.2475 10.2475 10.3866 10.3866 k = 0.0000 0.0000 0.1799 ( 6012 PWs) bands (ev): -2.5984 -2.5984 -2.0326 -2.0326 2.2724 2.2724 2.6648 2.6648 4.5210 4.5210 5.3649 5.3649 5.9369 5.9369 6.5805 6.5805 6.7137 6.7137 7.0530 7.0530 7.1199 7.1199 7.5190 7.5190 8.7825 8.7825 8.8908 8.8908 8.9513 8.9513 9.4747 9.4747 9.7922 9.7922 10.1881 10.1881 10.2641 10.2641 10.3253 10.3253 k = 0.0000 0.0000 0.1919 ( 6004 PWs) bands (ev): -2.5689 -2.5689 -2.0684 -2.0684 2.2900 2.2900 2.6365 2.6365 4.5703 4.5703 5.3188 5.3188 5.9689 5.9689 6.5376 6.5376 6.7939 6.7939 7.0432 7.0432 7.1011 7.1011 7.5240 7.5240 8.7752 8.7752 8.8882 8.8882 8.9371 8.9371 9.4321 9.4321 9.7744 9.7744 10.2174 10.2174 10.2782 10.2782 10.2940 10.2940 k = 0.0000 0.0000 0.2039 ( 5998 PWs) bands (ev): -2.5380 -2.5380 -2.1050 -2.1050 2.3088 2.3088 2.6080 2.6080 4.6217 4.6217 5.2708 5.2708 6.0027 6.0027 6.4939 6.4939 6.8739 6.8739 7.0350 7.0350 7.0834 7.0834 7.5207 7.5207 8.7711 8.7711 8.8908 8.8908 8.9239 8.9239 9.3872 9.3872 9.7626 9.7626 10.1695 10.1695 10.3127 10.3127 10.3195 10.3195 k = 0.0000 0.0000 0.2159 ( 6004 PWs) bands (ev): -2.5058 -2.5058 -2.1421 -2.1421 2.3287 2.3287 2.5796 2.5796 4.6748 4.6748 5.2211 5.2211 6.0380 6.0380 6.4499 6.4499 6.9511 6.9511 7.0300 7.0300 7.0674 7.0674 7.5084 7.5084 8.7700 8.7700 8.8877 8.8877 8.9232 8.9232 9.3401 9.3401 9.7576 9.7576 10.1058 10.1058 10.3478 10.3478 10.3587 10.3587 k = 0.0000 0.0000 0.2278 ( 6006 PWs) bands (ev): -2.4724 -2.4724 -2.1796 -2.1796 2.3497 2.3497 2.5514 2.5514 4.7292 4.7292 5.1698 5.1698 6.0747 6.0747 6.4059 6.4059 7.0064 7.0064 7.0419 7.0419 7.0581 7.0581 7.4867 7.4867 8.7720 8.7720 8.8732 8.8732 8.9413 8.9413 9.2911 9.2911 9.7600 9.7600 10.0434 10.0434 10.3787 10.3787 10.3973 10.3973 k = 0.0000 0.0000 0.2398 ( 6010 PWs) bands (ev): -2.4380 -2.4380 -2.2173 -2.2173 2.3717 2.3717 2.5236 2.5236 4.7846 4.7846 5.1171 5.1171 6.1127 6.1127 6.3621 6.3621 7.0120 7.0120 7.0386 7.0386 7.1151 7.1151 7.4558 7.4558 8.7768 8.7768 8.8557 8.8557 8.9699 8.9699 9.2408 9.2408 9.7699 9.7699 9.9850 9.9850 10.4076 10.4076 10.4281 10.4281 k = 0.0000 0.0000 0.2518 ( 6010 PWs) bands (ev): -2.4027 -2.4027 -2.2551 -2.2551 2.3948 2.3948 2.4963 2.4963 4.8405 4.8405 5.0632 5.0632 6.1520 6.1520 6.3186 6.3186 7.0118 7.0118 7.0289 7.0289 7.1849 7.1849 7.4161 7.4161 8.7844 8.7844 8.8382 8.8382 9.0056 9.0056 9.1902 9.1902 9.7875 9.7875 9.9321 9.9321 10.4322 10.4322 10.4492 10.4492 k = 0.0000 0.0000 0.2638 ( 6016 PWs) bands (ev): -2.3666 -2.3666 -2.2926 -2.2926 2.4189 2.4189 2.4697 2.4697 4.8966 4.8966 5.0083 5.0083 6.1923 6.1923 6.2758 6.2758 7.0128 7.0128 7.0212 7.0212 7.2515 7.2515 7.3682 7.3682 8.7946 8.7946 8.8219 8.8219 9.0468 9.0468 9.1403 9.1403 9.8127 9.8127 9.8853 9.8853 10.4503 10.4503 10.4599 10.4599 k = 0.0000 0.0000 0.2758 ( 6022 PWs) bands (ev): -2.3299 -2.3299 -2.3298 -2.3298 2.4438 2.4438 2.4439 2.4439 4.9527 4.9527 4.9527 4.9527 6.2336 6.2336 6.2336 6.2336 7.0158 7.0158 7.0159 7.0159 7.3130 7.3130 7.3130 7.3130 8.8072 8.8072 8.8072 8.8072 9.0921 9.0921 9.0921 9.0921 9.8454 9.8454 9.8454 9.8454 10.4600 10.4600 10.4600 10.4600 k = 0.0000 0.0000 0.2758 ( 6022 PWs) bands (ev): -2.3299 -2.3299 -2.3298 -2.3298 2.4438 2.4438 2.4439 2.4439 4.9527 4.9527 4.9527 4.9527 6.2336 6.2336 6.2336 6.2336 7.0158 7.0158 7.0159 7.0159 7.3130 7.3130 7.3130 7.3130 8.8072 8.8072 8.8072 8.8072 9.0921 9.0921 9.0921 9.0921 9.8454 9.8454 9.8454 9.8454 10.4600 10.4600 10.4600 10.4600 k = 0.0122-0.0000 0.2758 ( 6018 PWs) bands (ev): -2.3285 -2.3285 -2.3284 -2.3284 2.4424 2.4424 2.4441 2.4441 4.9529 4.9529 4.9534 4.9534 6.2198 6.2198 6.2277 6.2277 7.0155 7.0155 7.0249 7.0249 7.3126 7.3126 7.3141 7.3141 8.7987 8.7987 8.8030 8.8030 9.0969 9.0969 9.0978 9.0978 9.8462 9.8462 9.8521 9.8521 10.4613 10.4613 10.4618 10.4618 k = 0.0244-0.0000 0.2758 ( 6014 PWs) bands (ev): -2.3245 -2.3245 -2.3243 -2.3243 2.4396 2.4396 2.4429 2.4429 4.9540 4.9540 4.9551 4.9551 6.1879 6.1879 6.2027 6.2027 7.0233 7.0233 7.0410 7.0410 7.3127 7.3127 7.3157 7.3157 8.7793 8.7793 8.7870 8.7870 9.1107 9.1107 9.1116 9.1116 9.8547 9.8547 9.8664 9.8664 10.4656 10.4656 10.4666 10.4666 k = 0.0366-0.0000 0.2758 ( 6014 PWs) bands (ev): -2.3178 -2.3178 -2.3174 -2.3174 2.4355 2.4355 2.4404 2.4404 4.9558 4.9558 4.9577 4.9577 6.1413 6.1413 6.1615 6.1615 7.0369 7.0369 7.0613 7.0613 7.3134 7.3134 7.3179 7.3179 8.7527 8.7527 8.7627 8.7627 9.1290 9.1290 9.1290 9.1290 9.8716 9.8716 9.8892 9.8892 10.4730 10.4730 10.4746 10.4746 k = 0.0488-0.0000 0.2758 ( 6006 PWs) bands (ev): -2.3083 -2.3083 -2.3078 -2.3078 2.4298 2.4298 2.4363 2.4363 4.9582 4.9582 4.9609 4.9609 6.0840 6.0840 6.1079 6.1079 7.0532 7.0532 7.0828 7.0828 7.3146 7.3146 7.3206 7.3206 8.7217 8.7217 8.7331 8.7331 9.1455 9.1455 9.1469 9.1469 9.8982 9.8982 9.9214 9.9214 10.4837 10.4837 10.4862 10.4862 k = 0.0610-0.0000 0.2758 ( 5998 PWs) bands (ev): -2.2961 -2.2961 -2.2954 -2.2954 2.4224 2.4224 2.4305 2.4305 4.9609 4.9609 4.9645 4.9645 6.0198 6.0198 6.0460 6.0460 7.0693 7.0693 7.1026 7.1026 7.3164 7.3164 7.3238 7.3238 8.6882 8.6882 8.7003 8.7003 9.1577 9.1577 9.1609 9.1609 9.9352 9.9352 9.9638 9.9638 10.4979 10.4979 10.5017 10.5017 k = 0.0732-0.0000 0.2758 ( 6002 PWs) bands (ev): -2.2812 -2.2812 -2.2804 -2.2804 2.4130 2.4130 2.4225 2.4225 4.9633 4.9633 4.9681 4.9681 5.9522 5.9522 5.9794 5.9794 7.0829 7.0829 7.1188 7.1188 7.3185 7.3185 7.3272 7.3272 8.6533 8.6533 8.6655 8.6655 9.1636 9.1636 9.1683 9.1683 9.9827 9.9827 10.0163 10.0163 10.5162 10.5162 10.5216 10.5216 k = 0.0854-0.0000 0.2758 ( 5998 PWs) bands (ev): -2.2635 -2.2635 -2.2627 -2.2627 2.4012 2.4012 2.4123 2.4123 4.9650 4.9650 4.9712 4.9712 5.8841 5.8841 5.9113 5.9113 7.0926 7.0926 7.1303 7.1303 7.3209 7.3209 7.3310 7.3310 8.6175 8.6175 8.6294 8.6294 9.1623 9.1623 9.1681 9.1681 10.0398 10.0398 10.0781 10.0781 10.5392 10.5392 10.5467 10.5467 k = 0.0976-0.0000 0.2758 ( 5992 PWs) bands (ev): -2.2432 -2.2432 -2.2422 -2.2422 2.3869 2.3869 2.3992 2.3992 4.9653 4.9653 4.9732 4.9732 5.8183 5.8183 5.8447 5.8447 7.0974 7.0974 7.1363 7.1363 7.3235 7.3235 7.3348 7.3348 8.5810 8.5810 8.5923 8.5923 9.1536 9.1536 9.1603 9.1603 10.1046 10.1046 10.1470 10.1470 10.5677 10.5677 10.5779 10.5779 k = 0.1098-0.0000 0.2758 ( 5992 PWs) bands (ev): -2.2202 -2.2202 -2.2191 -2.2191 2.3694 2.3694 2.3831 2.3831 4.9634 4.9634 4.9734 4.9734 5.7573 5.7573 5.7821 5.7821 7.0971 7.0971 7.1366 7.1366 7.3261 7.3261 7.3386 7.3386 8.5438 8.5438 8.5541 8.5541 9.1382 9.1382 9.1454 9.1454 10.1740 10.1740 10.2202 10.2202 10.6031 10.6031 10.6163 10.6163 k = 0.1220-0.0000 0.2758 ( 6008 PWs) bands (ev): -2.1945 -2.1945 -2.1933 -2.1933 2.3485 2.3485 2.3633 2.3633 4.9584 4.9584 4.9710 4.9710 5.7035 5.7035 5.7260 5.7260 7.0914 7.0914 7.1313 7.1313 7.3285 7.3285 7.3422 7.3422 8.5059 8.5059 8.5152 8.5152 9.1168 9.1168 9.1244 9.1244 10.2450 10.2450 10.2943 10.2943 10.6471 10.6471 10.6633 10.6633 k = 0.1341-0.0000 0.2758 ( 6000 PWs) bands (ev): -2.1661 -2.1661 -2.1648 -2.1648 2.3237 2.3237 2.3394 2.3394 4.9500 4.9500 4.9653 4.9653 5.6586 5.6586 5.6782 5.6782 7.0806 7.0806 7.1207 7.1207 7.3307 7.3307 7.3454 7.3454 8.4673 8.4673 8.4753 8.4753 9.0905 9.0905 9.0983 9.0983 10.3143 10.3143 10.3658 10.3658 10.7012 10.7012 10.7199 10.7199 k = 0.1463-0.0000 0.2758 ( 5996 PWs) bands (ev): -2.1351 -2.1351 -2.1337 -2.1337 2.2945 2.2945 2.3110 2.3110 4.9377 4.9377 4.9559 4.9559 5.6240 5.6240 5.6404 5.6404 7.0649 7.0649 7.1050 7.1050 7.3323 7.3323 7.3481 7.3481 8.4281 8.4281 8.4348 8.4348 9.0601 9.0601 9.0681 9.0681 10.3798 10.3798 10.4319 10.4319 10.7660 10.7660 10.7862 10.7862 k = 0.1585-0.0000 0.2758 ( 5986 PWs) bands (ev): -2.1014 -2.1014 -2.0999 -2.0999 2.2605 2.2605 2.2776 2.2776 4.9220 4.9220 4.9429 4.9429 5.6003 5.6003 5.6134 5.6134 7.0448 7.0448 7.0848 7.0848 7.3333 7.3333 7.3501 7.3501 8.3883 8.3883 8.3935 8.3935 9.0264 9.0264 9.0347 9.0347 10.4407 10.4407 10.4919 10.4919 10.8404 10.8404 10.8611 10.8611 k = 0.1707-0.0000 0.2758 ( 5982 PWs) bands (ev): -2.0651 -2.0651 -2.0635 -2.0635 2.2213 2.2213 2.2388 2.2388 4.9039 4.9039 4.9270 4.9270 5.5873 5.5873 5.5972 5.5972 7.0207 7.0207 7.0605 7.0605 7.3334 7.3334 7.3511 7.3511 8.3481 8.3481 8.3518 8.3518 8.9901 8.9901 8.9988 8.9988 10.4974 10.4974 10.5468 10.5468 10.9219 10.9219 10.9422 10.9422 k = 0.1829-0.0000 0.2758 ( 5984 PWs) bands (ev): -2.0261 -2.0261 -2.0245 -2.0245 2.1767 2.1767 2.1944 2.1944 4.8848 4.8848 4.9096 4.9096 5.5841 5.5841 5.5913 5.5913 6.9929 6.9929 7.0324 7.0324 7.3324 7.3324 7.3509 7.3509 8.3076 8.3076 8.3099 8.3099 8.9517 8.9517 8.9610 8.9610 10.5511 10.5511 10.5982 10.5982 11.0072 11.0072 11.0270 11.0270 k = 0.1951-0.0000 0.2758 ( 5984 PWs) bands (ev): -1.9846 -1.9846 -1.9828 -1.9828 2.1265 2.1265 2.1442 2.1442 4.8665 4.8665 4.8922 4.8922 5.5895 5.5895 5.5944 5.5944 6.9618 6.9618 7.0010 7.0010 7.3300 7.3300 7.3493 7.3493 8.2672 8.2672 8.2681 8.2681 8.9120 8.9120 8.9219 8.9219 10.6030 10.6030 10.6480 10.6480 11.0934 11.0934 11.1128 11.1128 k = 0.2073-0.0000 0.2758 ( 5988 PWs) bands (ev): -1.9405 -1.9405 -1.9387 -1.9387 2.0705 2.0705 2.0880 2.0880 4.8505 4.8505 4.8763 4.8763 5.6022 5.6022 5.6053 5.6053 6.9277 6.9277 6.9666 6.9666 7.3260 7.3260 7.3459 7.3459 8.2266 8.2266 8.2271 8.2271 8.8711 8.8711 8.8818 8.8818 10.6542 10.6542 10.6974 10.6974 11.1783 11.1783 11.1975 11.1975 k = 0.2195-0.0000 0.2758 ( 5980 PWs) bands (ev): -1.8938 -1.8938 -1.8919 -1.8919 2.0088 2.0088 2.0259 2.0259 4.8380 4.8380 4.8635 4.8635 5.6209 5.6209 5.6227 5.6227 6.8911 6.8911 6.9296 6.9296 7.3202 7.3202 7.3405 7.3405 8.1861 8.1861 8.1876 8.1876 8.8295 8.8295 8.8410 8.8410 10.7056 10.7056 10.7471 10.7471 11.2605 11.2605 11.2797 11.2797 k = 0.2317-0.0000 0.2758 ( 5984 PWs) bands (ev): -1.8445 -1.8445 -1.8426 -1.8426 1.9415 1.9415 1.9580 1.9580 4.8301 4.8301 4.8547 4.8547 5.6446 5.6446 5.6454 5.6454 6.8522 6.8522 6.8902 6.8902 7.3123 7.3123 7.3327 7.3327 8.1467 8.1467 8.1492 8.1492 8.7875 8.7875 8.7999 8.7999 10.7578 10.7578 10.7979 10.7979 11.3391 11.3391 11.3585 11.3585 k = 0.2439-0.0000 0.2758 ( 5996 PWs) bands (ev): -1.7928 -1.7928 -1.7908 -1.7908 1.8689 1.8689 1.8847 1.8847 4.8273 4.8273 4.8506 4.8506 5.6724 5.6724 5.6726 5.6726 6.8111 6.8111 6.8488 6.8488 7.3019 7.3019 7.3224 7.3224 8.1091 8.1091 8.1123 8.1123 8.7453 8.7453 8.7586 8.7586 10.8111 10.8111 10.8501 10.8501 11.4137 11.4137 11.4332 11.4332 k = 0.2561-0.0000 0.2758 ( 5994 PWs) bands (ev): -1.7385 -1.7385 -1.7365 -1.7365 1.7913 1.7913 1.8062 1.8062 4.8301 4.8301 4.8517 4.8517 5.7034 5.7034 5.7037 5.7037 6.7682 6.7682 6.8054 6.8054 7.2890 7.2890 7.3093 7.3093 8.0736 8.0736 8.0773 8.0773 8.7030 8.7030 8.7173 8.7173 10.8658 10.8658 10.9040 10.9040 11.4842 11.4842 11.5039 11.5039 k = 0.2683-0.0000 0.2758 ( 5994 PWs) bands (ev): -1.6818 -1.6818 -1.6798 -1.6798 1.7091 1.7091 1.7231 1.7231 4.8385 4.8385 4.8582 4.8582 5.7372 5.7372 5.7379 5.7379 6.7236 6.7236 6.7603 6.7603 7.2734 7.2734 7.2932 7.2932 8.0406 8.0406 8.0445 8.0445 8.6608 8.6608 8.6762 8.6762 10.9221 10.9221 10.9596 10.9596 11.5505 11.5505 11.5705 11.5705 k = 0.2805-0.0000 0.2758 ( 5998 PWs) bands (ev): -1.6226 -1.6226 -1.6206 -1.6206 1.6227 1.6227 1.6358 1.6358 4.8524 4.8524 4.8701 4.8701 5.7737 5.7737 5.7745 5.7745 6.6775 6.6775 6.7137 6.7137 7.2548 7.2548 7.2740 7.2740 8.0105 8.0105 8.0143 8.0143 8.6188 8.6188 8.6352 8.6352 10.9800 10.9800 11.0171 11.0171 11.6130 11.6130 11.6331 11.6331 k = 0.2927-0.0000 0.2758 ( 5994 PWs) bands (ev): -1.5610 -1.5610 -1.5590 -1.5590 1.5327 1.5327 1.5448 1.5448 4.8717 4.8717 4.8872 4.8872 5.8122 5.8122 5.8131 5.8131 6.6299 6.6299 6.6655 6.6655 7.2334 7.2334 7.2516 7.2516 7.9834 7.9834 7.9869 7.9869 8.5770 8.5770 8.5944 8.5944 11.0397 11.0397 11.0763 11.0763 11.6717 11.6717 11.6921 11.6921 k = 0.3049-0.0000 0.2758 ( 5998 PWs) bands (ev): -1.4970 -1.4970 -1.4950 -1.4950 1.4394 1.4394 1.4506 1.4506 4.8960 4.8960 4.9093 4.9093 5.8525 5.8525 5.8535 5.8535 6.5810 6.5810 6.6160 6.6160 7.2090 7.2090 7.2261 7.2261 7.9597 7.9597 7.9626 7.9626 8.5356 8.5356 8.5539 8.5539 11.1009 11.1009 11.1374 11.1374 11.7268 11.7268 11.7475 11.7475 k = 0.3171-0.0000 0.2758 ( 5998 PWs) bands (ev): -1.4306 -1.4306 -1.4286 -1.4286 1.3435 1.3435 1.3536 1.3536 4.9250 4.9250 4.9360 4.9360 5.8944 5.8944 5.8953 5.8953 6.5309 6.5309 6.5653 6.5653 7.1819 7.1819 7.1977 7.1977 7.9393 7.9393 7.9413 7.9413 8.4945 8.4945 8.5137 8.5137 11.1638 11.1638 11.2001 11.2001 11.7785 11.7785 11.7997 11.7997 k = 0.3293-0.0000 0.2758 ( 5994 PWs) bands (ev): -1.3619 -1.3619 -1.3600 -1.3600 1.2452 1.2452 1.2544 1.2544 4.9584 4.9584 4.9671 4.9671 5.9374 5.9374 5.9383 5.9383 6.4797 6.4797 6.5133 6.5133 7.1522 7.1522 7.1667 7.1667 7.9223 7.9223 7.9233 7.9233 8.4537 8.4537 8.4738 8.4738 11.2281 11.2281 11.2643 11.2643 11.8271 11.8271 11.8488 11.8488 k = 0.3415-0.0000 0.2758 ( 5986 PWs) bands (ev): -1.2909 -1.2909 -1.2890 -1.2890 1.1451 1.1451 1.1535 1.1535 4.9958 4.9958 5.0022 5.0022 5.9815 5.9815 5.9823 5.9823 6.4274 6.4274 6.4603 6.4603 7.1201 7.1201 7.1332 7.1332 7.9085 7.9085 7.9087 7.9087 8.4135 8.4135 8.4342 8.4342 11.2936 11.2936 11.3299 11.3299 11.8728 11.8728 11.8950 11.8950 k = 0.3537-0.0000 0.2758 ( 5994 PWs) bands (ev): -1.2176 -1.2176 -1.2158 -1.2158 1.0436 1.0436 1.0511 1.0511 5.0368 5.0368 5.0410 5.0410 6.0263 6.0263 6.0271 6.0271 6.3743 6.3743 6.4062 6.4062 7.0860 7.0860 7.0977 7.0977 7.8968 7.8968 7.8983 7.8983 8.3737 8.3737 8.3950 8.3950 11.3602 11.3602 11.3964 11.3964 11.9157 11.9157 11.9384 11.9384 k = 0.3659-0.0000 0.2758 ( 5990 PWs) bands (ev): -1.1421 -1.1421 -1.1404 -1.1404 0.9411 0.9411 0.9477 0.9477 5.0811 5.0811 5.0830 5.0830 6.0715 6.0715 6.0725 6.0725 6.3204 6.3204 6.3512 6.3512 7.0500 7.0500 7.0604 7.0604 7.8882 7.8882 7.8910 7.8910 8.3345 8.3345 8.3563 8.3563 11.4275 11.4275 11.4638 11.4638 11.9559 11.9559 11.9790 11.9790 k = 0.3780-0.0000 0.2758 ( 5986 PWs) bands (ev): -1.0644 -1.0644 -1.0628 -1.0628 0.8378 0.8378 0.8436 0.8436 5.1280 5.1280 5.1283 5.1283 6.1164 6.1164 6.1181 6.1181 6.2665 6.2665 6.2955 6.2955 7.0125 7.0125 7.0216 7.0216 7.8826 7.8826 7.8867 7.8867 8.2960 8.2960 8.3181 8.3181 11.4952 11.4952 11.5314 11.5314 11.9933 11.9933 12.0166 12.0166 k = 0.3902-0.0000 0.2758 ( 5990 PWs) bands (ev): -0.9845 -0.9845 -0.9831 -0.9831 0.7341 0.7341 0.7392 0.7392 5.1756 5.1756 5.1781 5.1781 6.1561 6.1561 6.1624 6.1624 6.2174 6.2174 6.2406 6.2406 6.9736 6.9736 6.9815 6.9815 7.8799 7.8799 7.8854 7.8854 8.2582 8.2582 8.2806 8.2806 11.5629 11.5629 11.5990 11.5990 12.0279 12.0279 12.0509 12.0509 k = 0.4024-0.0000 0.2758 ( 5992 PWs) bands (ev): -0.9026 -0.9026 -0.9013 -0.9013 0.6303 0.6303 0.6347 0.6347 5.2255 5.2255 5.2301 5.2301 6.1420 6.1420 6.1718 6.1718 6.2201 6.2201 6.2215 6.2215 6.9335 6.9335 6.9405 6.9405 7.8801 7.8801 7.8870 7.8870 8.2214 8.2214 8.2438 8.2438 11.6303 11.6303 11.6660 11.6660 12.0592 12.0592 12.0814 12.0814 k = 0.4146-0.0000 0.2758 ( 5992 PWs) bands (ev): -0.8186 -0.8186 -0.8175 -0.8175 0.5266 0.5266 0.5304 0.5304 5.2774 5.2774 5.2841 5.2841 6.0887 6.0887 6.1180 6.1180 6.2622 6.2622 6.2643 6.2643 6.8926 6.8926 6.8985 6.8985 7.8830 7.8830 7.8914 7.8914 8.1856 8.1856 8.2079 8.2079 11.6967 11.6967 11.7319 11.7319 12.0867 12.0867 12.1073 12.1073 k = 0.4268-0.0000 0.2758 ( 5996 PWs) bands (ev): -0.7327 -0.7327 -0.7317 -0.7317 0.4232 0.4232 0.4265 0.4265 5.3311 5.3311 5.3398 5.3398 6.0316 6.0316 6.0595 6.0595 6.3084 6.3084 6.3104 6.3104 6.8507 6.8507 6.8559 6.8559 7.8888 7.8888 7.8986 7.8986 8.1511 8.1511 8.1731 8.1731 11.7616 11.7616 11.7959 11.7959 12.1096 12.1096 12.1276 12.1276 k = 0.4390-0.0000 0.2758 ( 6002 PWs) bands (ev): -0.6448 -0.6448 -0.6440 -0.6440 0.3204 0.3204 0.3232 0.3232 5.3863 5.3863 5.3969 5.3969 5.9734 5.9734 5.9999 5.9999 6.3551 6.3551 6.3571 6.3571 6.8081 6.8081 6.8126 6.8126 7.8973 7.8973 7.9084 7.9084 8.1179 8.1179 8.1395 8.1395 11.8244 11.8244 11.8573 11.8573 12.1269 12.1269 12.1411 12.1411 k = 0.4512-0.0000 0.2758 ( 6006 PWs) bands (ev): -0.5550 -0.5550 -0.5545 -0.5545 0.2184 0.2184 0.2206 0.2206 5.4427 5.4427 5.4552 5.4552 5.9144 5.9144 5.9396 5.9396 6.4018 6.4018 6.4038 6.4038 6.7649 6.7649 6.7689 6.7689 7.9085 7.9085 7.9209 7.9209 8.0863 8.0863 8.1073 8.1073 11.8844 11.8844 11.9153 11.9153 12.1374 12.1374 12.1466 12.1466 k = 0.4634-0.0000 0.2758 ( 6006 PWs) bands (ev): -0.4634 -0.4634 -0.4631 -0.4631 0.1172 0.1172 0.1190 0.1190 5.5001 5.5001 5.5144 5.5144 5.8551 5.8551 5.8789 5.8789 6.4484 6.4484 6.4505 6.4505 6.7211 6.7211 6.7246 6.7246 7.9223 7.9223 7.9361 7.9361 8.0565 8.0565 8.0767 8.0767 11.9405 11.9405 11.9689 11.9689 12.1399 12.1399 12.1432 12.1432 k = 0.4756-0.0000 0.2758 ( 6014 PWs) bands (ev): -0.3702 -0.3702 -0.3701 -0.3701 0.0172 0.0172 0.0185 0.0185 5.5584 5.5584 5.5744 5.5744 5.7956 5.7956 5.8179 5.8179 6.4948 6.4948 6.4970 6.4970 6.6768 6.6768 6.6798 6.6798 7.9387 7.9387 7.9538 7.9538 8.0285 8.0285 8.0479 8.0479 11.9921 11.9921 12.0170 12.0170 12.1303 12.1303 12.1335 12.1335 k = 0.4878-0.0000 0.2758 ( 6016 PWs) bands (ev): -0.2755 -0.2755 -0.2752 -0.2752 -0.0817 -0.0817 -0.0808 -0.0808 5.6172 5.6172 5.6349 5.6349 5.7360 5.7360 5.7569 5.7569 6.5409 6.5409 6.5432 6.5432 6.6319 6.6319 6.6347 6.6347 7.9576 7.9576 7.9739 7.9739 8.0027 8.0027 8.0211 8.0211 12.0379 12.0379 12.0586 12.0586 12.1080 12.1080 12.1176 12.1176 k = 0.5000-0.0000 0.2758 ( 6004 PWs) bands (ev): -0.1793 -0.1793 -0.1793 -0.1793 -0.1787 -0.1787 -0.1787 -0.1787 5.6765 5.6765 5.6765 5.6765 5.6958 5.6958 5.6958 5.6958 6.5866 6.5866 6.5866 6.5866 6.5892 6.5892 6.5892 6.5892 7.9790 7.9790 7.9790 7.9790 7.9964 7.9964 7.9964 7.9964 12.0769 12.0769 12.0769 12.0769 12.0924 12.0924 12.0924 12.0924 k = 0.5000-0.0000 0.2758 ( 6004 PWs) bands (ev): -0.1793 -0.1793 -0.1793 -0.1793 -0.1787 -0.1787 -0.1787 -0.1787 5.6765 5.6765 5.6765 5.6765 5.6958 5.6958 5.6958 5.6958 6.5866 6.5866 6.5866 6.5866 6.5892 6.5892 6.5892 6.5892 7.9790 7.9790 7.9790 7.9790 7.9964 7.9964 7.9964 7.9964 12.0769 12.0769 12.0769 12.0769 12.0924 12.0924 12.0924 12.0924 k = 0.5000 0.0121 0.2758 ( 6008 PWs) bands (ev): -0.1795 -0.1795 -0.1784 -0.1784 -0.1783 -0.1783 -0.1782 -0.1782 5.6725 5.6725 5.6749 5.6749 5.6915 5.6915 5.6944 5.6944 6.5878 6.5878 6.5893 6.5893 6.5904 6.5904 6.5917 6.5917 7.9794 7.9794 7.9799 7.9799 7.9960 7.9960 7.9979 7.9979 12.0744 12.0744 12.0760 12.0760 12.0899 12.0899 12.0913 12.0913 k = 0.5000 0.0241 0.2758 ( 6004 PWs) bands (ev): -0.1788 -0.1788 -0.1772 -0.1772 -0.1769 -0.1769 -0.1765 -0.1765 5.6632 5.6632 5.6680 5.6680 5.6817 5.6817 5.6875 5.6875 6.5927 6.5927 6.5955 6.5955 6.5957 6.5957 6.5980 6.5980 7.9810 7.9810 7.9820 7.9820 7.9968 7.9968 8.0005 8.0005 12.0684 12.0684 12.0717 12.0717 12.0837 12.0837 12.0866 12.0866 k = 0.5000 0.0362 0.2758 ( 6012 PWs) bands (ev): -0.1772 -0.1772 -0.1751 -0.1751 -0.1747 -0.1747 -0.1738 -0.1738 5.6487 5.6487 5.6558 5.6558 5.6669 5.6669 5.6752 5.6752 6.6013 6.6013 6.6040 6.6040 6.6056 6.6056 6.6078 6.6078 7.9838 7.9838 7.9854 7.9854 7.9987 7.9987 8.0043 8.0043 12.0589 12.0589 12.0639 12.0639 12.0738 12.0738 12.0782 12.0782 k = 0.5000 0.0482 0.2758 ( 6016 PWs) bands (ev): -0.1748 -0.1748 -0.1723 -0.1723 -0.1717 -0.1717 -0.1703 -0.1703 5.6296 5.6296 5.6390 5.6390 5.6473 5.6473 5.6579 5.6579 6.6131 6.6131 6.6157 6.6157 6.6184 6.6184 6.6207 6.6207 7.9878 7.9878 7.9899 7.9899 8.0017 8.0017 8.0090 8.0090 12.0459 12.0459 12.0526 12.0526 12.0601 12.0601 12.0662 12.0662 k = 0.5000 0.0603 0.2758 ( 6020 PWs) bands (ev): -0.1716 -0.1716 -0.1687 -0.1687 -0.1679 -0.1679 -0.1660 -0.1660 5.6063 5.6063 5.6179 5.6179 5.6237 5.6237 5.6362 5.6362 6.6278 6.6278 6.6301 6.6301 6.6337 6.6337 6.6362 6.6362 7.9930 7.9930 7.9956 7.9956 8.0058 8.0058 8.0147 8.0147 12.0292 12.0292 12.0378 12.0378 12.0425 12.0425 12.0504 12.0504 k = 0.5000 0.0724 0.2758 ( 6016 PWs) bands (ev): -0.1677 -0.1677 -0.1643 -0.1643 -0.1633 -0.1633 -0.1610 -0.1610 5.5795 5.5795 5.5931 5.5931 5.5966 5.5966 5.6106 5.6106 6.6448 6.6448 6.6468 6.6468 6.6510 6.6510 6.6539 6.6539 7.9992 7.9992 8.0023 8.0023 8.0109 8.0109 8.0213 8.0213 12.0089 12.0089 12.0192 12.0192 12.0210 12.0210 12.0308 12.0308 k = 0.5000 0.0844 0.2758 ( 6000 PWs) bands (ev): -0.1630 -0.1630 -0.1592 -0.1592 -0.1580 -0.1580 -0.1553 -0.1553 5.5497 5.5497 5.5652 5.5652 5.5667 5.5667 5.5818 5.5818 6.6636 6.6636 6.6653 6.6653 6.6698 6.6698 6.6732 6.6732 8.0064 8.0064 8.0100 8.0100 8.0170 8.0170 8.0287 8.0287 11.9850 11.9850 11.9956 11.9956 11.9968 11.9968 12.0074 12.0074 k = 0.5000 0.0965 0.2758 ( 5992 PWs) bands (ev): -0.1576 -0.1576 -0.1535 -0.1535 -0.1521 -0.1521 -0.1489 -0.1489 5.5176 5.5176 5.5344 5.5344 5.5349 5.5349 5.5503 5.5503 6.6838 6.6838 6.6850 6.6850 6.6898 6.6898 6.6938 6.6938 8.0144 8.0144 8.0185 8.0185 8.0240 8.0240 8.0369 8.0369 11.9576 11.9576 11.9666 11.9666 11.9706 11.9706 11.9801 11.9801 k = 0.5000 0.1085 0.2758 ( 5996 PWs) bands (ev): -0.1516 -0.1516 -0.1472 -0.1472 -0.1455 -0.1455 -0.1420 -0.1420 5.4836 5.4836 5.5003 5.5003 5.5025 5.5025 5.5167 5.5167 6.7050 6.7050 6.7058 6.7058 6.7105 6.7105 6.7151 6.7151 8.0232 8.0232 8.0278 8.0278 8.0318 8.0318 8.0456 8.0456 11.9269 11.9269 11.9341 11.9341 11.9407 11.9407 11.9494 11.9494 k = 0.5000 0.1206 0.2758 ( 5992 PWs) bands (ev): -0.1451 -0.1451 -0.1403 -0.1403 -0.1383 -0.1383 -0.1345 -0.1345 5.4482 5.4482 5.4650 5.4650 5.4686 5.4686 5.4815 5.4815 6.7268 6.7268 6.7272 6.7272 6.7316 6.7316 6.7370 6.7370 8.0326 8.0326 8.0378 8.0378 8.0402 8.0402 8.0548 8.0548 11.8933 11.8933 11.8987 11.8987 11.9074 11.9074 11.9155 11.9155 k = 0.5000 0.1327 0.2758 ( 5988 PWs) bands (ev): -0.1380 -0.1380 -0.1330 -0.1330 -0.1307 -0.1307 -0.1266 -0.1266 5.4120 5.4120 5.4288 5.4288 5.4337 5.4337 5.4452 5.4452 6.7489 6.7489 6.7490 6.7490 6.7529 6.7529 6.7589 6.7589 8.0426 8.0426 8.0482 8.0482 8.0492 8.0492 8.0644 8.0644 11.8572 11.8572 11.8608 11.8608 11.8714 11.8714 11.8790 11.8790 k = 0.5000 0.1447 0.2758 ( 5992 PWs) bands (ev): -0.1305 -0.1305 -0.1253 -0.1253 -0.1226 -0.1226 -0.1183 -0.1183 5.3753 5.3753 5.3922 5.3922 5.3982 5.3982 5.4082 5.4082 6.7706 6.7706 6.7711 6.7711 6.7741 6.7741 6.7808 6.7808 8.0529 8.0529 8.0587 8.0587 8.0589 8.0589 8.0742 8.0742 11.8194 11.8194 11.8213 11.8213 11.8333 11.8333 11.8406 11.8406 k = 0.5000 0.1568 0.2758 ( 5980 PWs) bands (ev): -0.1227 -0.1227 -0.1173 -0.1173 -0.1142 -0.1142 -0.1097 -0.1097 5.3386 5.3386 5.3556 5.3556 5.3625 5.3625 5.3710 5.3710 6.7922 6.7922 6.7931 6.7931 6.7950 6.7950 6.8024 6.8024 8.0634 8.0634 8.0685 8.0685 8.0699 8.0699 8.0841 8.0841 11.7804 11.7804 11.7807 11.7807 11.7937 11.7937 11.8009 11.8009 k = 0.5000 0.1688 0.2758 ( 5976 PWs) bands (ev): -0.1145 -0.1145 -0.1091 -0.1091 -0.1056 -0.1056 -0.1009 -0.1009 5.3022 5.3022 5.3192 5.3192 5.3268 5.3268 5.3338 5.3338 6.8135 6.8135 6.8147 6.8147 6.8155 6.8155 6.8234 6.8234 8.0741 8.0741 8.0785 8.0785 8.0809 8.0809 8.0940 8.0940 11.7397 11.7397 11.7409 11.7409 11.7535 11.7535 11.7607 11.7607 k = 0.5000 0.1809 0.2758 ( 5980 PWs) bands (ev): -0.1062 -0.1062 -0.1008 -0.1008 -0.0967 -0.0967 -0.0920 -0.0920 5.2664 5.2664 5.2836 5.2836 5.2917 5.2917 5.2971 5.2971 6.8343 6.8343 6.8355 6.8355 6.8358 6.8358 6.8438 6.8438 8.0847 8.0847 8.0886 8.0886 8.0918 8.0918 8.1038 8.1038 11.6991 11.6991 11.7015 11.7015 11.7134 11.7134 11.7205 11.7205 k = 0.5000 0.1929 0.2758 ( 5984 PWs) bands (ev): -0.0979 -0.0979 -0.0924 -0.0924 -0.0879 -0.0879 -0.0831 -0.0831 5.2316 5.2316 5.2488 5.2488 5.2572 5.2572 5.2611 5.2611 6.8545 6.8545 6.8547 6.8547 6.8562 6.8562 6.8634 6.8634 8.0951 8.0951 8.0985 8.0985 8.1025 8.1025 8.1133 8.1133 11.6593 11.6593 11.6627 11.6627 11.6739 11.6739 11.6811 11.6811 k = 0.5000 0.2050 0.2758 ( 5976 PWs) bands (ev): -0.0895 -0.0895 -0.0841 -0.0841 -0.0790 -0.0790 -0.0742 -0.0742 5.1980 5.1980 5.2153 5.2153 5.2239 5.2239 5.2262 5.2262 6.8732 6.8732 6.8740 6.8740 6.8758 6.8758 6.8822 6.8822 8.1053 8.1053 8.1083 8.1083 8.1129 8.1129 8.1224 8.1224 11.6209 11.6209 11.6252 11.6252 11.6357 11.6357 11.6429 11.6429 k = 0.5000 0.2171 0.2758 ( 5980 PWs) bands (ev): -0.0812 -0.0812 -0.0760 -0.0760 -0.0703 -0.0703 -0.0656 -0.0656 5.1659 5.1659 5.1832 5.1832 5.1918 5.1918 5.1927 5.1927 6.8909 6.8909 6.8925 6.8925 6.8945 6.8945 6.8999 6.8999 8.1150 8.1150 8.1178 8.1178 8.1228 8.1228 8.1311 8.1311 11.5843 11.5843 11.5892 11.5892 11.5992 11.5992 11.6064 11.6064 k = 0.5000 0.2291 0.2758 ( 5972 PWs) bands (ev): -0.0731 -0.0731 -0.0681 -0.0681 -0.0617 -0.0617 -0.0572 -0.0572 5.1356 5.1356 5.1529 5.1529 5.1607 5.1607 5.1613 5.1613 6.9076 6.9076 6.9101 6.9101 6.9121 6.9121 6.9165 6.9165 8.1243 8.1243 8.1268 8.1268 8.1321 8.1321 8.1392 8.1392 11.5500 11.5500 11.5553 11.5553 11.5649 11.5649 11.5719 11.5719 k = 0.5000 0.2412 0.2758 ( 5976 PWs) bands (ev): -0.0653 -0.0653 -0.0605 -0.0605 -0.0535 -0.0535 -0.0492 -0.0492 5.1072 5.1072 5.1244 5.1244 5.1305 5.1305 5.1326 5.1326 6.9232 6.9232 6.9266 6.9266 6.9286 6.9286 6.9320 6.9320 8.1330 8.1330 8.1354 8.1354 8.1408 8.1408 8.1466 8.1466 11.5182 11.5182 11.5238 11.5238 11.5330 11.5330 11.5398 11.5398 k = 0.5000 0.2532 0.2758 ( 5972 PWs) bands (ev): -0.0579 -0.0579 -0.0534 -0.0534 -0.0457 -0.0457 -0.0416 -0.0416 5.0810 5.0810 5.0981 5.0981 5.1024 5.1024 5.1059 5.1059 6.9378 6.9378 6.9420 6.9420 6.9439 6.9439 6.9462 6.9462 8.1410 8.1410 8.1433 8.1433 8.1487 8.1487 8.1534 8.1534 11.4891 11.4891 11.4948 11.4948 11.5039 11.5039 11.5103 11.5103 k = 0.5000 0.2653 0.2758 ( 5964 PWs) bands (ev): -0.0509 -0.0509 -0.0468 -0.0468 -0.0384 -0.0384 -0.0346 -0.0346 5.0572 5.0572 5.0741 5.0741 5.0766 5.0766 5.0814 5.0814 6.9512 6.9512 6.9560 6.9560 6.9579 6.9579 6.9591 6.9591 8.1483 8.1483 8.1506 8.1506 8.1558 8.1558 8.1594 8.1594 11.4630 11.4630 11.4685 11.4685 11.4776 11.4776 11.4836 11.4836 k = 0.5000 0.2774 0.2758 ( 5968 PWs) bands (ev): -0.0445 -0.0445 -0.0408 -0.0408 -0.0317 -0.0317 -0.0283 -0.0283 5.0359 5.0359 5.0526 5.0526 5.0531 5.0531 5.0592 5.0592 6.9633 6.9633 6.9687 6.9687 6.9704 6.9704 6.9705 6.9705 8.1548 8.1548 8.1571 8.1571 8.1620 8.1620 8.1646 8.1646 11.4399 11.4399 11.4452 11.4452 11.4544 11.4544 11.4599 11.4599 k = 0.5000 0.2894 0.2758 ( 5968 PWs) bands (ev): -0.0387 -0.0387 -0.0354 -0.0354 -0.0257 -0.0257 -0.0227 -0.0227 5.0173 5.0173 5.0323 5.0323 5.0338 5.0338 5.0396 5.0396 6.9740 6.9740 6.9799 6.9799 6.9805 6.9805 6.9815 6.9815 8.1606 8.1606 8.1629 8.1629 8.1674 8.1674 8.1691 8.1691 11.4199 11.4199 11.4248 11.4248 11.4343 11.4343 11.4392 11.4392 k = 0.5000 0.3015 0.2758 ( 5972 PWs) bands (ev): -0.0337 -0.0337 -0.0309 -0.0309 -0.0204 -0.0204 -0.0178 -0.0178 5.0016 5.0016 5.0142 5.0142 5.0177 5.0177 5.0227 5.0227 6.9834 6.9834 6.9890 6.9890 6.9896 6.9896 6.9910 6.9910 8.1656 8.1656 8.1680 8.1680 8.1718 8.1718 8.1727 8.1727 11.4032 11.4032 11.4075 11.4075 11.4173 11.4173 11.4216 11.4216 k = 0.5000 0.3135 0.2758 ( 5976 PWs) bands (ev): -0.0294 -0.0294 -0.0271 -0.0271 -0.0159 -0.0159 -0.0138 -0.0138 4.9888 4.9888 4.9990 4.9990 5.0045 5.0045 5.0085 5.0085 6.9913 6.9913 6.9959 6.9959 6.9977 6.9977 6.9988 6.9988 8.1698 8.1698 8.1722 8.1722 8.1754 8.1754 8.1755 8.1755 11.3896 11.3896 11.3932 11.3932 11.4036 11.4036 11.4071 11.4071 k = 0.5000 0.3256 0.2758 ( 5964 PWs) bands (ev): -0.0259 -0.0259 -0.0242 -0.0242 -0.0123 -0.0123 -0.0107 -0.0107 4.9790 4.9790 4.9867 4.9867 4.9942 4.9942 4.9973 4.9973 6.9976 6.9976 7.0011 7.0011 7.0041 7.0041 7.0049 7.0049 8.1733 8.1733 8.1756 8.1756 8.1775 8.1775 8.1781 8.1781 11.3792 11.3792 11.3820 11.3820 11.3931 11.3931 11.3957 11.3957 k = 0.5000 0.3377 0.2758 ( 5956 PWs) bands (ev): -0.0233 -0.0233 -0.0221 -0.0221 -0.0096 -0.0096 -0.0085 -0.0085 4.9724 4.9724 4.9775 4.9775 4.9870 4.9870 4.9891 4.9891 7.0023 7.0023 7.0047 7.0047 7.0087 7.0087 7.0093 7.0093 8.1759 8.1759 8.1781 8.1781 8.1788 8.1788 8.1798 8.1798 11.3720 11.3720 11.3739 11.3739 11.3857 11.3857 11.3875 11.3875 k = 0.5000 0.3497 0.2758 ( 5964 PWs) bands (ev): -0.0216 -0.0216 -0.0210 -0.0210 -0.0079 -0.0079 -0.0073 -0.0073 4.9689 4.9689 4.9715 4.9715 4.9828 4.9828 4.9839 4.9839 7.0055 7.0055 7.0067 7.0067 7.0116 7.0116 7.0119 7.0119 8.1778 8.1778 8.1792 8.1792 8.1798 8.1798 8.1807 8.1807 11.3678 11.3678 11.3688 11.3688 11.3814 11.3814 11.3824 11.3824 k = 0.5000 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.0209 -0.0209 -0.0209 -0.0209 -0.0071 -0.0071 -0.0071 -0.0071 4.9686 4.9686 4.9686 4.9686 4.9818 4.9818 4.9818 4.9818 7.0069 7.0069 7.0069 7.0069 7.0127 7.0127 7.0127 7.0127 8.1789 8.1789 8.1789 8.1789 8.1807 8.1807 8.1807 8.1807 11.3668 11.3668 11.3668 11.3668 11.3803 11.3803 11.3803 11.3803 k = 0.5000 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.0209 -0.0209 -0.0209 -0.0209 -0.0071 -0.0071 -0.0071 -0.0071 4.9686 4.9686 4.9686 4.9686 4.9818 4.9818 4.9818 4.9818 7.0069 7.0069 7.0069 7.0069 7.0127 7.0127 7.0127 7.0127 8.1789 8.1789 8.1789 8.1789 8.1807 8.1807 8.1807 8.1807 11.3668 11.3668 11.3668 11.3668 11.3803 11.3803 11.3803 11.3803 k = 0.4878 0.3618 0.2758 ( 5964 PWs) bands (ev): -0.1083 -0.1083 -0.1082 -0.1082 0.0816 0.0816 0.0816 0.0816 4.9017 4.9017 4.9018 4.9018 5.0491 5.0491 5.0492 5.0492 6.9868 6.9868 6.9868 6.9868 7.0336 7.0336 7.0336 7.0336 8.1539 8.1539 8.1540 8.1540 8.2070 8.2070 8.2071 8.2071 11.3422 11.3422 11.3422 11.3422 11.3990 11.3990 11.3990 11.3990 k = 0.4756 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.2007 -0.2007 -0.2007 -0.2007 0.1781 0.1781 0.1781 0.1781 4.8294 4.8294 4.8295 4.8295 5.1228 5.1228 5.1229 5.1229 6.9650 6.9650 6.9650 6.9650 7.0578 7.0578 7.0578 7.0578 8.1296 8.1296 8.1297 8.1297 8.2356 8.2356 8.2357 8.2357 11.3078 11.3078 11.3078 11.3078 11.4150 11.4150 11.4150 11.4150 k = 0.4634 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.2917 -0.2917 -0.2916 -0.2916 0.2756 0.2756 0.2757 0.2757 4.7582 4.7582 4.7582 4.7582 5.1966 5.1966 5.1966 5.1966 6.9441 6.9441 6.9441 6.9441 7.0827 7.0827 7.0827 7.0827 8.1069 8.1069 8.1069 8.1069 8.2657 8.2657 8.2657 8.2657 11.2702 11.2702 11.2702 11.2702 11.4206 11.4206 11.4206 11.4206 k = 0.4512 0.3618 0.2758 ( 5964 PWs) bands (ev): -0.3810 -0.3810 -0.3809 -0.3809 0.3741 0.3741 0.3742 0.3742 4.6882 4.6882 4.6883 4.6883 5.2701 5.2701 5.2702 5.2702 6.9242 6.9242 6.9242 6.9242 7.1079 7.1079 7.1079 7.1079 8.0858 8.0858 8.0859 8.0859 8.2970 8.2970 8.2971 8.2971 11.2304 11.2304 11.2304 11.2304 11.4136 11.4136 11.4136 11.4136 k = 0.4390 0.3618 0.2758 ( 5960 PWs) bands (ev): -0.4685 -0.4685 -0.4685 -0.4685 0.4733 0.4733 0.4733 0.4733 4.6200 4.6200 4.6200 4.6200 5.3431 5.3431 5.3432 5.3432 6.9053 6.9053 6.9054 6.9054 7.1332 7.1332 7.1332 7.1332 8.0665 8.0665 8.0666 8.0666 8.3298 8.3298 8.3298 8.3298 11.1892 11.1892 11.1892 11.1892 11.3936 11.3936 11.3936 11.3936 k = 0.4268 0.3618 0.2758 ( 5956 PWs) bands (ev): -0.5542 -0.5542 -0.5542 -0.5542 0.5728 0.5728 0.5729 0.5729 4.5538 4.5538 4.5538 4.5538 5.4153 5.4153 5.4154 5.4154 6.8875 6.8875 6.8875 6.8875 7.1584 7.1584 7.1584 7.1584 8.0493 8.0493 8.0494 8.0494 8.3638 8.3638 8.3639 8.3639 11.1470 11.1470 11.1470 11.1470 11.3621 11.3621 11.3622 11.3622 k = 0.4146 0.3618 0.2758 ( 5956 PWs) bands (ev): -0.6381 -0.6381 -0.6380 -0.6380 0.6726 0.6726 0.6726 0.6726 4.4900 4.4900 4.4901 4.4901 5.4866 5.4866 5.4867 5.4867 6.8707 6.8707 6.8707 6.8707 7.1830 7.1830 7.1830 7.1830 8.0343 8.0343 8.0344 8.0344 8.3992 8.3992 8.3992 8.3992 11.1040 11.1040 11.1040 11.1040 11.3218 11.3218 11.3218 11.3218 k = 0.4024 0.3618 0.2758 ( 5964 PWs) bands (ev): -0.7199 -0.7199 -0.7199 -0.7199 0.7722 0.7722 0.7722 0.7722 4.4292 4.4292 4.4293 4.4293 5.5567 5.5567 5.5568 5.5568 6.8549 6.8549 6.8549 6.8549 7.2067 7.2067 7.2067 7.2067 8.0220 8.0220 8.0220 8.0220 8.4358 8.4358 8.4359 8.4359 11.0606 11.0606 11.0606 11.0606 11.2753 11.2753 11.2753 11.2753 k = 0.3902 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.7998 -0.7998 -0.7997 -0.7997 0.8713 0.8713 0.8713 0.8713 4.3717 4.3717 4.3718 4.3718 5.6253 5.6253 5.6254 5.6254 6.8401 6.8401 6.8401 6.8401 7.2291 7.2291 7.2291 7.2291 8.0126 8.0126 8.0127 8.0127 8.4737 8.4737 8.4737 8.4737 11.0169 11.0169 11.0169 11.0169 11.2250 11.2250 11.2250 11.2250 k = 0.3780 0.3618 0.2758 ( 5972 PWs) bands (ev): -0.8775 -0.8775 -0.8775 -0.8775 0.9694 0.9694 0.9695 0.9695 4.3181 4.3181 4.3182 4.3182 5.6923 5.6923 5.6924 5.6924 6.8262 6.8262 6.8262 6.8262 7.2495 7.2495 7.2495 7.2495 8.0067 8.0067 8.0068 8.0068 8.5127 8.5127 8.5128 8.5128 10.9730 10.9730 10.9730 10.9730 11.1728 11.1728 11.1728 11.1728 k = 0.3659 0.3618 0.2758 ( 5960 PWs) bands (ev): -0.9532 -0.9532 -0.9531 -0.9531 1.0662 1.0662 1.0662 1.0662 4.2689 4.2689 4.2690 4.2690 5.7575 5.7575 5.7576 5.7576 6.8131 6.8131 6.8131 6.8131 7.2677 7.2677 7.2677 7.2677 8.0047 8.0047 8.0047 8.0047 8.5528 8.5528 8.5529 8.5529 10.9288 10.9288 10.9288 10.9288 11.1201 11.1201 11.1201 11.1201 k = 0.3537 0.3618 0.2758 ( 5964 PWs) bands (ev): -1.0267 -1.0267 -1.0266 -1.0266 1.1610 1.1610 1.1611 1.1611 4.2248 4.2248 4.2248 4.2248 5.8205 5.8205 5.8206 5.8206 6.8009 6.8009 6.8009 6.8009 7.2830 7.2830 7.2830 7.2830 8.0070 8.0070 8.0070 8.0070 8.5939 8.5939 8.5940 8.5940 10.8844 10.8844 10.8844 10.8844 11.0679 11.0679 11.0679 11.0679 k = 0.3415 0.3618 0.2758 ( 5952 PWs) bands (ev): -1.0980 -1.0980 -1.0979 -1.0979 1.2534 1.2534 1.2535 1.2535 4.1864 4.1864 4.1864 4.1864 5.8813 5.8813 5.8813 5.8813 6.7893 6.7893 6.7893 6.7893 7.2952 7.2952 7.2953 7.2953 8.0141 8.0141 8.0141 8.0141 8.6359 8.6359 8.6359 8.6359 10.8398 10.8398 10.8398 10.8398 11.0169 11.0169 11.0170 11.0170 k = 0.3293 0.3618 0.2758 ( 5960 PWs) bands (ev): -1.1670 -1.1670 -1.1670 -1.1670 1.3426 1.3426 1.3426 1.3426 4.1544 4.1544 4.1545 4.1545 5.9394 5.9394 5.9395 5.9395 6.7784 6.7784 6.7785 6.7785 7.3042 7.3042 7.3042 7.3042 8.0261 8.0261 8.0262 8.0262 8.6785 8.6785 8.6785 8.6785 10.7949 10.7949 10.7949 10.7949 10.9679 10.9679 10.9679 10.9679 k = 0.3171 0.3618 0.2758 ( 5964 PWs) bands (ev): -1.2338 -1.2338 -1.2338 -1.2338 1.4279 1.4279 1.4279 1.4279 4.1297 4.1297 4.1298 4.1298 5.9947 5.9947 5.9948 5.9948 6.7681 6.7681 6.7681 6.7681 7.3098 7.3098 7.3098 7.3098 8.0433 8.0433 8.0433 8.0434 8.7216 8.7216 8.7217 8.7217 10.7495 10.7495 10.7495 10.7495 10.9212 10.9212 10.9212 10.9212 k = 0.3049 0.3618 0.2758 ( 5964 PWs) bands (ev): -1.2983 -1.2983 -1.2983 -1.2983 1.5085 1.5085 1.5086 1.5086 4.1130 4.1130 4.1131 4.1131 6.0469 6.0469 6.0470 6.0470 6.7583 6.7583 6.7583 6.7583 7.3123 7.3123 7.3124 7.3124 8.0655 8.0655 8.0656 8.0656 8.7650 8.7650 8.7650 8.7650 10.7035 10.7035 10.7035 10.7035 10.8771 10.8771 10.8771 10.8771 k = 0.2927 0.3618 0.2758 ( 5956 PWs) bands (ev): -1.3605 -1.3605 -1.3604 -1.3604 1.5838 1.5838 1.5838 1.5838 4.1052 4.1052 4.1052 4.1052 6.0958 6.0958 6.0959 6.0959 6.7488 6.7488 6.7488 6.7488 7.3122 7.3122 7.3122 7.3122 8.0926 8.0926 8.0926 8.0926 8.8083 8.8083 8.8083 8.8083 10.6567 10.6567 10.6567 10.6567 10.8360 10.8360 10.8360 10.8360 k = 0.2805 0.3618 0.2758 ( 5952 PWs) bands (ev): -1.4203 -1.4203 -1.4202 -1.4202 1.6529 1.6529 1.6530 1.6530 4.1069 4.1069 4.1069 4.1069 6.1412 6.1412 6.1412 6.1412 6.7396 6.7396 6.7396 6.7396 7.3100 7.3100 7.3100 7.3100 8.1240 8.1240 8.1241 8.1241 8.8512 8.8512 8.8512 8.8512 10.6089 10.6089 10.6089 10.6089 10.7979 10.7979 10.7979 10.7979 k = 0.2683 0.3618 0.2758 ( 5948 PWs) bands (ev): -1.4777 -1.4777 -1.4776 -1.4776 1.7153 1.7153 1.7154 1.7154 4.1188 4.1188 4.1189 4.1189 6.1826 6.1826 6.1827 6.1827 6.7306 6.7306 6.7306 6.7306 7.3062 7.3062 7.3062 7.3062 8.1596 8.1596 8.1596 8.1596 8.8931 8.8931 8.8931 8.8931 10.5600 10.5600 10.5600 10.5600 10.7631 10.7631 10.7631 10.7631 k = 0.2561 0.3618 0.2758 ( 5956 PWs) bands (ev): -1.5327 -1.5327 -1.5327 -1.5327 1.7705 1.7705 1.7705 1.7705 4.1414 4.1414 4.1415 4.1415 6.2201 6.2201 6.2201 6.2201 6.7216 6.7216 6.7216 6.7216 7.3015 7.3015 7.3016 7.3016 8.1987 8.1987 8.1988 8.1988 8.9334 8.9334 8.9334 8.9334 10.5097 10.5097 10.5097 10.5097 10.7317 10.7317 10.7317 10.7317 k = 0.2439 0.3618 0.2758 ( 5960 PWs) bands (ev): -1.5853 -1.5853 -1.5853 -1.5853 1.8181 1.8181 1.8182 1.8182 4.1750 4.1750 4.1751 4.1751 6.2533 6.2533 6.2533 6.2533 6.7126 6.7126 6.7126 6.7126 7.2966 7.2966 7.2966 7.2966 8.2410 8.2410 8.2410 8.2410 8.9715 8.9715 8.9715 8.9715 10.4581 10.4581 10.4581 10.4581 10.7036 10.7036 10.7036 10.7036 k = 0.2317 0.3618 0.2758 ( 5972 PWs) bands (ev): -1.6354 -1.6354 -1.6354 -1.6354 1.8581 1.8581 1.8582 1.8582 4.2196 4.2196 4.2197 4.2197 6.2821 6.2821 6.2822 6.2822 6.7034 6.7034 6.7034 6.7034 7.2920 7.2920 7.2920 7.2920 8.2859 8.2859 8.2860 8.2860 9.0063 9.0063 9.0064 9.0064 10.4051 10.4051 10.4051 10.4051 10.6789 10.6789 10.6789 10.6789 k = 0.2195 0.3618 0.2758 ( 5980 PWs) bands (ev): -1.6831 -1.6831 -1.6831 -1.6831 1.8908 1.8908 1.8909 1.8909 4.2749 4.2749 4.2750 4.2750 6.3065 6.3065 6.3066 6.3066 6.6938 6.6938 6.6938 6.6938 7.2881 7.2881 7.2881 7.2881 8.3331 8.3331 8.3331 8.3331 9.0368 9.0368 9.0368 9.0368 10.3514 10.3514 10.3514 10.3514 10.6577 10.6577 10.6577 10.6577 k = 0.2073 0.3618 0.2758 ( 5996 PWs) bands (ev): -1.7283 -1.7283 -1.7283 -1.7283 1.9165 1.9165 1.9165 1.9165 4.3405 4.3405 4.3405 4.3405 6.3266 6.3266 6.3267 6.3267 6.6837 6.6837 6.6838 6.6838 7.2853 7.2853 7.2853 7.2853 8.3821 8.3821 8.3821 8.3821 9.0614 9.0614 9.0614 9.0614 10.2975 10.2975 10.2975 10.2975 10.6398 10.6398 10.6399 10.6399 k = 0.1951 0.3618 0.2758 ( 5996 PWs) bands (ev): -1.7710 -1.7710 -1.7710 -1.7710 1.9357 1.9357 1.9358 1.9358 4.4155 4.4155 4.4156 4.4156 6.3424 6.3424 6.3425 6.3425 6.6730 6.6730 6.6730 6.6730 7.2838 7.2838 7.2838 7.2838 8.4324 8.4324 8.4324 8.4324 9.0784 9.0784 9.0784 9.0784 10.2449 10.2449 10.2449 10.2449 10.6253 10.6253 10.6253 10.6253 k = 0.1829 0.3618 0.2758 ( 5992 PWs) bands (ev): -1.8112 -1.8112 -1.8112 -1.8112 1.9493 1.9493 1.9494 1.9494 4.4993 4.4993 4.4993 4.4993 6.3542 6.3542 6.3543 6.3543 6.6614 6.6614 6.6615 6.6615 7.2837 7.2837 7.2837 7.2837 8.4837 8.4837 8.4837 8.4837 9.0860 9.0860 9.0861 9.0861 10.1951 10.1951 10.1951 10.1951 10.6140 10.6140 10.6141 10.6141 k = 0.1707 0.3618 0.2758 ( 6000 PWs) bands (ev): -1.8489 -1.8489 -1.8489 -1.8489 1.9581 1.9581 1.9582 1.9582 4.5906 4.5906 4.5907 4.5907 6.3623 6.3623 6.3624 6.3624 6.6488 6.6488 6.6488 6.6488 7.2850 7.2850 7.2850 7.2850 8.5354 8.5354 8.5354 8.5354 9.0824 9.0824 9.0824 9.0824 10.1502 10.1502 10.1502 10.1502 10.6059 10.6059 10.6060 10.6060 k = 0.1585 0.3618 0.2758 ( 6000 PWs) bands (ev): -1.8840 -1.8840 -1.8840 -1.8840 1.9627 1.9627 1.9628 1.9628 4.6887 4.6887 4.6887 4.6887 6.3672 6.3672 6.3672 6.3672 6.6347 6.6347 6.6347 6.6347 7.2875 7.2875 7.2875 7.2875 8.5871 8.5871 8.5871 8.5871 9.0659 9.0659 9.0659 9.0659 10.1119 10.1119 10.1119 10.1119 10.6009 10.6009 10.6010 10.6010 k = 0.1463 0.3618 0.2758 ( 6000 PWs) bands (ev): -1.9166 -1.9166 -1.9165 -1.9165 1.9641 1.9641 1.9642 1.9642 4.7923 4.7923 4.7923 4.7923 6.3692 6.3692 6.3693 6.3693 6.6190 6.6190 6.6190 6.6190 7.2911 7.2911 7.2911 7.2911 8.6382 8.6382 8.6383 8.6383 9.0361 9.0361 9.0361 9.0361 10.0817 10.0817 10.0817 10.0817 10.5988 10.5988 10.5989 10.5989 k = 0.1341 0.3618 0.2758 ( 5996 PWs) bands (ev): -1.9466 -1.9466 -1.9465 -1.9465 1.9630 1.9630 1.9631 1.9631 4.9004 4.9004 4.9005 4.9005 6.3689 6.3689 6.3690 6.3690 6.6012 6.6012 6.6012 6.6012 7.2955 7.2955 7.2955 7.2955 8.6882 8.6882 8.6882 8.6882 8.9935 8.9935 8.9935 8.9935 10.0597 10.0597 10.0598 10.0598 10.5995 10.5995 10.5995 10.5995 k = 0.1220 0.3618 0.2758 ( 5992 PWs) bands (ev): -1.9740 -1.9740 -1.9740 -1.9740 1.9600 1.9600 1.9601 1.9601 5.0120 5.0120 5.0121 5.0121 6.3667 6.3667 6.3668 6.3668 6.5809 6.5809 6.5809 6.5809 7.3005 7.3005 7.3005 7.3005 8.7362 8.7362 8.7362 8.7362 8.9401 8.9401 8.9401 8.9401 10.0455 10.0455 10.0456 10.0456 10.6028 10.6028 10.6028 10.6028 k = 0.1098 0.3618 0.2758 ( 6000 PWs) bands (ev): -1.9988 -1.9988 -1.9988 -1.9988 1.9557 1.9557 1.9557 1.9557 5.1261 5.1261 5.1261 5.1261 6.3632 6.3632 6.3633 6.3633 6.5575 6.5575 6.5576 6.5576 7.3058 7.3058 7.3058 7.3058 8.7801 8.7801 8.7802 8.7802 8.8801 8.8801 8.8801 8.8801 10.0377 10.0377 10.0377 10.0377 10.6083 10.6083 10.6083 10.6083 k = 0.0976 0.3618 0.2758 ( 6008 PWs) bands (ev): -2.0211 -2.0211 -2.0211 -2.0211 1.9506 1.9506 1.9507 1.9507 5.2416 5.2416 5.2416 5.2416 6.3587 6.3587 6.3587 6.3587 6.5306 6.5306 6.5307 6.5307 7.3112 7.3112 7.3112 7.3112 8.7935 8.7935 8.7935 8.7935 8.8426 8.8426 8.8426 8.8426 10.0346 10.0346 10.0346 10.0346 10.6158 10.6158 10.6159 10.6159 k = 0.0854 0.3618 0.2758 ( 6000 PWs) bands (ev): -2.0407 -2.0407 -2.0407 -2.0407 1.9451 1.9451 1.9452 1.9452 5.3574 5.3574 5.3574 5.3574 6.3535 6.3535 6.3535 6.3535 6.4996 6.4996 6.4996 6.4996 7.3164 7.3164 7.3164 7.3164 8.7335 8.7335 8.7335 8.7335 8.8732 8.8732 8.8732 8.8732 10.0346 10.0346 10.0346 10.0346 10.6249 10.6249 10.6250 10.6250 k = 0.0732 0.3618 0.2758 ( 5992 PWs) bands (ev): -2.0578 -2.0578 -2.0578 -2.0578 1.9398 1.9398 1.9398 1.9398 5.4724 5.4724 5.4724 5.4724 6.3478 6.3478 6.3478 6.3478 6.4638 6.4638 6.4638 6.4638 7.3213 7.3213 7.3213 7.3213 8.6664 8.6664 8.6665 8.6665 8.9083 8.9083 8.9083 8.9083 10.0364 10.0364 10.0364 10.0364 10.6351 10.6351 10.6351 10.6351 k = 0.0610 0.3618 0.2758 ( 5992 PWs) bands (ev): -2.0722 -2.0722 -2.0722 -2.0722 1.9347 1.9347 1.9348 1.9348 5.5856 5.5856 5.5856 5.5856 6.3411 6.3411 6.3411 6.3411 6.4233 6.4233 6.4234 6.4234 7.3257 7.3257 7.3257 7.3257 8.6028 8.6028 8.6028 8.6028 8.9399 8.9399 8.9399 8.9399 10.0390 10.0390 10.0390 10.0390 10.6456 10.6456 10.6457 10.6457 k = 0.0488 0.3618 0.2758 ( 6000 PWs) bands (ev): -2.0840 -2.0840 -2.0840 -2.0840 1.9303 1.9303 1.9304 1.9304 5.6958 5.6958 5.6958 5.6958 6.3300 6.3300 6.3301 6.3301 6.3811 6.3811 6.3811 6.3811 7.3295 7.3295 7.3295 7.3295 8.5462 8.5462 8.5462 8.5462 8.9667 8.9667 8.9667 8.9667 10.0417 10.0417 10.0417 10.0417 10.6559 10.6559 10.6559 10.6559 k = 0.0366 0.3618 0.2758 ( 6000 PWs) bands (ev): -2.0932 -2.0932 -2.0932 -2.0932 1.9266 1.9266 1.9267 1.9267 5.8017 5.8017 5.8018 5.8018 6.2984 6.2984 6.2984 6.2984 6.3530 6.3530 6.3530 6.3530 7.3326 7.3326 7.3326 7.3326 8.4992 8.4992 8.4992 8.4992 8.9881 8.9881 8.9881 8.9881 10.0441 10.0441 10.0441 10.0441 10.6650 10.6650 10.6651 10.6651 k = 0.0244 0.3618 0.2758 ( 5996 PWs) bands (ev): -2.0998 -2.0998 -2.0998 -2.0998 1.9239 1.9239 1.9240 1.9240 5.9020 5.9020 5.9021 5.9021 6.2415 6.2415 6.2415 6.2415 6.3438 6.3438 6.3438 6.3438 7.3348 7.3348 7.3348 7.3348 8.4640 8.4640 8.4640 8.4640 9.0037 9.0037 9.0038 9.0038 10.0459 10.0459 10.0459 10.0459 10.6723 10.6723 10.6723 10.6723 k = 0.0122 0.3618 0.2758 ( 5992 PWs) bands (ev): -2.1037 -2.1037 -2.1037 -2.1037 1.9222 1.9222 1.9223 1.9223 5.9943 5.9943 5.9944 5.9944 6.1736 6.1736 6.1736 6.1736 6.3403 6.3403 6.3404 6.3404 7.3362 7.3362 7.3362 7.3362 8.4423 8.4423 8.4423 8.4423 9.0132 9.0132 9.0133 9.0133 10.0471 10.0471 10.0471 10.0471 10.6770 10.6770 10.6770 10.6770 k = 0.0000 0.3618 0.2758 ( 5980 PWs) bands (ev): -2.1050 -2.1050 -2.1050 -2.1050 1.9217 1.9217 1.9218 1.9218 6.0564 6.0564 6.0564 6.0564 6.1196 6.1196 6.1196 6.1196 6.3394 6.3394 6.3394 6.3394 7.3366 7.3366 7.3366 7.3366 8.4349 8.4349 8.4349 8.4349 9.0164 9.0164 9.0164 9.0164 10.0475 10.0475 10.0475 10.0475 10.6786 10.6786 10.6786 10.6786 k = 0.0000 0.3618 0.2758 ( 5980 PWs) bands (ev): -2.1050 -2.1050 -2.1050 -2.1050 1.9217 1.9217 1.9218 1.9218 6.0564 6.0564 6.0564 6.0564 6.1196 6.1196 6.1196 6.1196 6.3394 6.3394 6.3394 6.3394 7.3366 7.3366 7.3366 7.3366 8.4349 8.4349 8.4349 8.4349 9.0164 9.0164 9.0164 9.0164 10.0475 10.0475 10.0475 10.0475 10.6786 10.6786 10.6786 10.6786 k = 0.0000 0.3497 0.2758 ( 5984 PWs) bands (ev): -2.1057 -2.1057 -2.1057 -2.1057 1.9231 1.9231 1.9232 1.9232 6.0545 6.0545 6.0545 6.0545 6.1003 6.1003 6.1003 6.1003 6.3604 6.3604 6.3605 6.3605 7.3364 7.3364 7.3364 7.3364 8.4373 8.4373 8.4373 8.4373 9.0169 9.0169 9.0169 9.0169 10.0480 10.0480 10.0480 10.0480 10.6739 10.6739 10.6739 10.6739 k = 0.0000 0.3377 0.2758 ( 5996 PWs) bands (ev): -2.1077 -2.1077 -2.1077 -2.1077 1.9274 1.9274 1.9275 1.9275 6.0338 6.0338 6.0338 6.0338 6.0722 6.0722 6.0722 6.0722 6.4089 6.4089 6.4089 6.4089 7.3359 7.3359 7.3360 7.3360 8.4443 8.4443 8.4444 8.4444 9.0184 9.0184 9.0184 9.0184 10.0497 10.0497 10.0497 10.0497 10.6601 10.6601 10.6601 10.6601 k = 0.0000 0.3256 0.2758 ( 5996 PWs) bands (ev): -2.1111 -2.1111 -2.1110 -2.1110 1.9346 1.9346 1.9347 1.9347 5.9787 5.9787 5.9787 5.9787 6.0680 6.0680 6.0681 6.0681 6.4673 6.4673 6.4674 6.4674 7.3353 7.3353 7.3353 7.3353 8.4559 8.4559 8.4559 8.4559 9.0207 9.0207 9.0207 9.0207 10.0527 10.0527 10.0527 10.0527 10.6381 10.6381 10.6381 10.6381 k = 0.0000 0.3135 0.2758 ( 6004 PWs) bands (ev): -2.1156 -2.1156 -2.1156 -2.1156 1.9445 1.9445 1.9446 1.9446 5.9147 5.9147 5.9147 5.9147 6.0695 6.0695 6.0695 6.0695 6.5284 6.5284 6.5285 6.5285 7.3347 7.3347 7.3347 7.3347 8.4716 8.4716 8.4716 8.4716 9.0238 9.0238 9.0238 9.0238 10.0571 10.0571 10.0571 10.0571 10.6093 10.6093 10.6093 10.6093 k = 0.0000 0.3015 0.2758 ( 6004 PWs) bands (ev): -2.1214 -2.1214 -2.1214 -2.1214 1.9570 1.9570 1.9571 1.9571 5.8487 5.8487 5.8487 5.8487 6.0725 6.0725 6.0725 6.0725 6.5890 6.5890 6.5891 6.5891 7.3344 7.3344 7.3344 7.3344 8.4910 8.4910 8.4910 8.4910 9.0274 9.0274 9.0275 9.0275 10.0633 10.0633 10.0633 10.0633 10.5751 10.5751 10.5751 10.5751 k = 0.0000 0.2894 0.2758 ( 6002 PWs) bands (ev): -2.1283 -2.1283 -2.1283 -2.1283 1.9720 1.9720 1.9721 1.9721 5.7826 5.7826 5.7826 5.7826 6.0764 6.0764 6.0765 6.0765 6.6474 6.6474 6.6474 6.6474 7.3348 7.3348 7.3348 7.3348 8.5135 8.5135 8.5135 8.5135 9.0314 9.0314 9.0314 9.0314 10.0715 10.0715 10.0715 10.0715 10.5374 10.5374 10.5374 10.5374 k = 0.0000 0.2774 0.2758 ( 6000 PWs) bands (ev): -2.1362 -2.1362 -2.1362 -2.1362 1.9894 1.9894 1.9895 1.9895 5.7174 5.7174 5.7174 5.7174 6.0812 6.0812 6.0812 6.0812 6.7024 6.7024 6.7024 6.7024 7.3362 7.3362 7.3362 7.3362 8.5386 8.5386 8.5386 8.5386 9.0353 9.0353 9.0353 9.0353 10.0819 10.0819 10.0819 10.0819 10.4977 10.4977 10.4977 10.4977 k = 0.0000 0.2653 0.2758 ( 6002 PWs) bands (ev): -2.1451 -2.1451 -2.1450 -2.1450 2.0088 2.0088 2.0089 2.0089 5.6537 5.6537 5.6537 5.6537 6.0867 6.0867 6.0867 6.0867 6.7531 6.7531 6.7531 6.7531 7.3388 7.3388 7.3388 7.3388 8.5657 8.5657 8.5657 8.5657 9.0389 9.0389 9.0389 9.0389 10.0944 10.0944 10.0944 10.0944 10.4577 10.4577 10.4577 10.4577 k = 0.0000 0.2532 0.2758 ( 6002 PWs) bands (ev): -2.1547 -2.1547 -2.1547 -2.1547 2.0302 2.0302 2.0303 2.0303 5.5918 5.5918 5.5918 5.5918 6.0928 6.0928 6.0929 6.0929 6.7988 6.7988 6.7988 6.7988 7.3429 7.3429 7.3429 7.3429 8.5941 8.5941 8.5941 8.5941 9.0416 9.0416 9.0417 9.0417 10.1087 10.1087 10.1087 10.1087 10.4188 10.4188 10.4188 10.4189 k = 0.0000 0.2412 0.2758 ( 6012 PWs) bands (ev): -2.1650 -2.1650 -2.1650 -2.1650 2.0533 2.0533 2.0534 2.0534 5.5320 5.5320 5.5321 5.5321 6.0996 6.0996 6.0996 6.0996 6.8390 6.8390 6.8390 6.8390 7.3485 7.3485 7.3485 7.3485 8.6233 8.6233 8.6233 8.6233 9.0432 9.0432 9.0433 9.0433 10.1236 10.1236 10.1236 10.1236 10.3825 10.3825 10.3825 10.3825 k = 0.0000 0.2291 0.2758 ( 5998 PWs) bands (ev): -2.1759 -2.1759 -2.1759 -2.1759 2.0777 2.0777 2.0778 2.0778 5.4747 5.4747 5.4748 5.4748 6.1069 6.1069 6.1069 6.1069 6.8735 6.8735 6.8736 6.8736 7.3554 7.3554 7.3554 7.3554 8.6530 8.6530 8.6530 8.6530 9.0432 9.0432 9.0432 9.0432 10.1372 10.1372 10.1372 10.1372 10.3499 10.3499 10.3500 10.3500 k = 0.0000 0.2171 0.2758 ( 5996 PWs) bands (ev): -2.1872 -2.1872 -2.1872 -2.1872 2.1033 2.1033 2.1034 2.1034 5.4200 5.4200 5.4200 5.4200 6.1146 6.1146 6.1147 6.1147 6.9025 6.9025 6.9025 6.9025 7.3631 7.3631 7.3631 7.3631 8.6827 8.6827 8.6827 8.6827 9.0411 9.0411 9.0411 9.0411 10.1464 10.1464 10.1465 10.1465 10.3221 10.3221 10.3221 10.3221 k = 0.0000 0.2050 0.2758 ( 5992 PWs) bands (ev): -2.1988 -2.1988 -2.1988 -2.1988 2.1298 2.1298 2.1299 2.1299 5.3681 5.3681 5.3681 5.3681 6.1228 6.1228 6.1229 6.1229 6.9263 6.9263 6.9263 6.9263 7.3711 7.3711 7.3711 7.3711 8.7123 8.7123 8.7123 8.7123 9.0367 9.0367 9.0367 9.0367 10.1481 10.1481 10.1482 10.1482 10.2994 10.2994 10.2994 10.2994 k = 0.0000 0.1929 0.2758 ( 5988 PWs) bands (ev): -2.2105 -2.2105 -2.2105 -2.2105 2.1569 2.1569 2.1569 2.1569 5.3190 5.3190 5.3191 5.3191 6.1313 6.1313 6.1314 6.1314 6.9454 6.9454 6.9454 6.9454 7.3786 7.3786 7.3786 7.3786 8.7417 8.7417 8.7417 8.7417 9.0296 9.0296 9.0297 9.0297 10.1407 10.1407 10.1407 10.1407 10.2817 10.2817 10.2817 10.2817 k = 0.0000 0.1809 0.2758 ( 5988 PWs) bands (ev): -2.2223 -2.2223 -2.2223 -2.2223 2.1842 2.1842 2.1843 2.1843 5.2730 5.2730 5.2731 5.2731 6.1401 6.1401 6.1402 6.1402 6.9605 6.9605 6.9605 6.9605 7.3848 7.3848 7.3849 7.3849 8.7709 8.7709 8.7709 8.7709 9.0200 9.0200 9.0200 9.0200 10.1250 10.1250 10.1250 10.1250 10.2691 10.2691 10.2692 10.2692 k = 0.0000 0.1688 0.2758 ( 5996 PWs) bands (ev): -2.2340 -2.2340 -2.2339 -2.2339 2.2115 2.2115 2.2115 2.2115 5.2301 5.2301 5.2302 5.2302 6.1491 6.1491 6.1491 6.1491 6.9723 6.9723 6.9724 6.9724 7.3892 7.3892 7.3892 7.3892 8.7997 8.7997 8.7997 8.7997 9.0078 9.0078 9.0078 9.0078 10.1032 10.1032 10.1032 10.1032 10.2621 10.2621 10.2622 10.2622 k = 0.0000 0.1568 0.2758 ( 6004 PWs) bands (ev): -2.2454 -2.2454 -2.2454 -2.2454 2.2384 2.2384 2.2385 2.2385 5.1904 5.1904 5.1904 5.1904 6.1581 6.1581 6.1581 6.1581 6.9816 6.9816 6.9816 6.9816 7.3913 7.3913 7.3913 7.3913 8.8283 8.8283 8.8283 8.8283 8.9934 8.9934 8.9935 8.9935 10.0777 10.0777 10.0777 10.0777 10.2610 10.2610 10.2610 10.2610 k = 0.0000 0.1447 0.2758 ( 6002 PWs) bands (ev): -2.2565 -2.2565 -2.2564 -2.2564 2.2648 2.2648 2.2648 2.2648 5.1538 5.1538 5.1538 5.1538 6.1671 6.1671 6.1671 6.1671 6.9888 6.9888 6.9889 6.9889 7.3908 7.3908 7.3909 7.3909 8.8562 8.8562 8.8562 8.8562 8.9775 8.9775 8.9776 8.9776 10.0505 10.0505 10.0505 10.0505 10.2657 10.2657 10.2657 10.2657 k = 0.0000 0.1327 0.2758 ( 6002 PWs) bands (ev): -2.2671 -2.2671 -2.2671 -2.2671 2.2902 2.2902 2.2903 2.2903 5.1204 5.1204 5.1205 5.1205 6.1760 6.1760 6.1760 6.1760 6.9945 6.9945 6.9946 6.9946 7.3879 7.3879 7.3879 7.3879 8.8827 8.8827 8.8827 8.8827 8.9614 8.9614 8.9614 8.9614 10.0228 10.0228 10.0228 10.0228 10.2757 10.2757 10.2757 10.2757 k = 0.0000 0.1206 0.2758 ( 5998 PWs) bands (ev): -2.2772 -2.2772 -2.2771 -2.2771 2.3144 2.3144 2.3145 2.3145 5.0903 5.0903 5.0903 5.0903 6.1846 6.1846 6.1846 6.1846 6.9991 6.9991 6.9991 6.9991 7.3826 7.3826 7.3827 7.3827 8.9036 8.9036 8.9036 8.9036 8.9494 8.9494 8.9495 8.9495 9.9957 9.9957 9.9958 9.9958 10.2903 10.2903 10.2903 10.2903 k = 0.0000 0.1085 0.2758 ( 5982 PWs) bands (ev): -2.2866 -2.2866 -2.2865 -2.2865 2.3372 2.3372 2.3373 2.3373 5.0633 5.0633 5.0633 5.0633 6.1928 6.1928 6.1928 6.1928 7.0027 7.0027 7.0027 7.0027 7.3755 7.3755 7.3755 7.3755 8.9053 8.9053 8.9054 8.9054 8.9556 8.9556 8.9556 8.9556 9.9699 9.9699 9.9699 9.9699 10.3085 10.3085 10.3086 10.3086 k = 0.0000 0.0965 0.2758 ( 5984 PWs) bands (ev): -2.2952 -2.2952 -2.2952 -2.2952 2.3583 2.3583 2.3584 2.3584 5.0394 5.0394 5.0394 5.0394 6.2006 6.2006 6.2006 6.2006 7.0057 7.0057 7.0057 7.0057 7.3669 7.3669 7.3669 7.3669 8.8916 8.8916 8.8916 8.8916 8.9764 8.9764 8.9764 8.9764 9.9458 9.9458 9.9458 9.9458 10.3295 10.3295 10.3295 10.3295 k = 0.0000 0.0844 0.2758 ( 6000 PWs) bands (ev): -2.3030 -2.3030 -2.3030 -2.3030 2.3775 2.3775 2.3776 2.3776 5.0186 5.0186 5.0186 5.0186 6.2078 6.2078 6.2078 6.2078 7.0081 7.0081 7.0082 7.0082 7.3575 7.3575 7.3575 7.3575 8.8750 8.8750 8.8750 8.8750 8.9995 8.9995 8.9995 8.9995 9.9237 9.9237 9.9237 9.9237 10.3520 10.3520 10.3521 10.3521 k = 0.0000 0.0724 0.2758 ( 6002 PWs) bands (ev): -2.3100 -2.3100 -2.3099 -2.3099 2.3945 2.3945 2.3946 2.3946 5.0008 5.0008 5.0008 5.0008 6.2143 6.2143 6.2143 6.2143 7.0102 7.0102 7.0102 7.0102 7.3479 7.3479 7.3479 7.3479 8.8587 8.8587 8.8588 8.8588 9.0217 9.0217 9.0217 9.0217 9.9039 9.9039 9.9039 9.9039 10.3751 10.3751 10.3751 10.3751 k = 0.0000 0.0603 0.2758 ( 6002 PWs) bands (ev): -2.3159 -2.3159 -2.3159 -2.3159 2.4093 2.4093 2.4094 2.4094 4.9859 4.9859 4.9859 4.9859 6.2200 6.2200 6.2200 6.2200 7.0119 7.0119 7.0119 7.0119 7.3385 7.3385 7.3385 7.3385 8.8440 8.8440 8.8440 8.8440 9.0417 9.0417 9.0418 9.0418 9.8866 9.8866 9.8866 9.8866 10.3975 10.3975 10.3975 10.3975 k = 0.0000 0.0482 0.2758 ( 6010 PWs) bands (ev): -2.3209 -2.3209 -2.3209 -2.3209 2.4215 2.4215 2.4216 2.4216 4.9738 4.9738 4.9738 4.9738 6.2248 6.2248 6.2248 6.2248 7.0133 7.0133 7.0133 7.0133 7.3300 7.3300 7.3301 7.3301 8.8312 8.8312 8.8312 8.8312 9.0591 9.0591 9.0591 9.0591 9.8721 9.8721 9.8722 9.8722 10.4179 10.4179 10.4180 10.4180 k = 0.0000 0.0362 0.2758 ( 6014 PWs) bands (ev): -2.3248 -2.3248 -2.3248 -2.3248 2.4312 2.4312 2.4313 2.4313 4.9645 4.9645 4.9645 4.9645 6.2286 6.2286 6.2286 6.2286 7.0144 7.0144 7.0144 7.0144 7.3229 7.3229 7.3229 7.3229 8.8209 8.8209 8.8209 8.8209 9.0732 9.0732 9.0732 9.0732 9.8606 9.8606 9.8606 9.8606 10.4354 10.4354 10.4354 10.4354 k = 0.0000 0.0241 0.2758 ( 6016 PWs) bands (ev): -2.3276 -2.3276 -2.3276 -2.3276 2.4382 2.4382 2.4383 2.4383 4.9579 4.9579 4.9579 4.9579 6.2314 6.2314 6.2314 6.2314 7.0152 7.0152 7.0152 7.0152 7.3175 7.3175 7.3175 7.3175 8.8134 8.8134 8.8134 8.8134 9.0836 9.0836 9.0836 9.0836 9.8522 9.8522 9.8522 9.8522 10.4488 10.4488 10.4488 10.4488 k = 0.0000 0.0121 0.2758 ( 6018 PWs) bands (ev): -2.3293 -2.3293 -2.3293 -2.3293 2.4424 2.4424 2.4425 2.4425 4.9540 4.9540 4.9540 4.9540 6.2330 6.2330 6.2331 6.2331 7.0157 7.0157 7.0157 7.0157 7.3142 7.3142 7.3142 7.3142 8.8088 8.8088 8.8088 8.8088 9.0899 9.0899 9.0899 9.0899 9.8471 9.8471 9.8471 9.8471 10.4572 10.4572 10.4572 10.4572 k = 0.0000 0.0000 0.2758 ( 6022 PWs) bands (ev): -2.3299 -2.3299 -2.3298 -2.3298 2.4438 2.4438 2.4439 2.4439 4.9527 4.9527 4.9527 4.9527 6.2336 6.2336 6.2336 6.2336 7.0158 7.0158 7.0159 7.0159 7.3130 7.3130 7.3130 7.3130 8.8072 8.8072 8.8072 8.8072 9.0921 9.0921 9.0921 9.0921 9.8454 9.8454 9.8454 9.8454 10.4600 10.4600 10.4600 10.4600 k = 0.0000 0.3618-0.0000 ( 6002 PWs) bands (ev): -2.1495 -2.1495 -2.1495 -2.1495 2.3096 2.3096 2.3097 2.3097 4.7816 4.7816 4.7816 4.7816 5.9983 5.9983 5.9983 5.9983 6.8570 6.8570 6.8570 6.8570 7.9773 7.9773 7.9773 7.9773 8.3873 8.3873 8.3873 8.3873 9.5534 9.5534 9.5534 9.5534 10.3385 10.3385 10.3385 10.3385 10.4452 10.4452 10.4452 10.4452 k = 0.0000 0.3618 0.0120 ( 5992 PWs) bands (ev): -2.1493 -2.1493 -2.1493 -2.1493 2.3074 2.3074 2.3075 2.3075 4.7859 4.7859 4.7859 4.7859 5.9986 5.9986 5.9986 5.9986 6.8569 6.8569 6.8570 6.8570 7.9757 7.9757 7.9757 7.9757 8.3856 8.3856 8.3856 8.3856 9.5497 9.5497 9.5498 9.5498 10.3338 10.3338 10.3339 10.3339 10.4472 10.4472 10.4472 10.4472 k = 0.0000 0.3618 0.0240 ( 5978 PWs) bands (ev): -2.1487 -2.1487 -2.1487 -2.1487 2.3009 2.3009 2.3010 2.3010 4.7987 4.7987 4.7987 4.7987 5.9994 5.9994 5.9994 5.9994 6.8568 6.8568 6.8569 6.8569 7.9709 7.9709 7.9709 7.9709 8.3807 8.3807 8.3807 8.3807 9.5390 9.5390 9.5391 9.5391 10.3207 10.3207 10.3207 10.3207 10.4531 10.4531 10.4531 10.4531 k = 0.0000 0.3618 0.0360 ( 5978 PWs) bands (ev): -2.1477 -2.1477 -2.1477 -2.1477 2.2903 2.2903 2.2904 2.2904 4.8197 4.8197 4.8197 4.8197 6.0008 6.0008 6.0008 6.0008 6.8566 6.8566 6.8567 6.8567 7.9625 7.9625 7.9625 7.9625 8.3731 8.3731 8.3731 8.3731 9.5217 9.5217 9.5218 9.5218 10.3007 10.3007 10.3008 10.3008 10.4624 10.4624 10.4625 10.4625 k = 0.0000 0.3618 0.0480 ( 5982 PWs) bands (ev): -2.1464 -2.1464 -2.1463 -2.1463 2.2759 2.2759 2.2760 2.2760 4.8487 4.8487 4.8487 4.8487 6.0027 6.0027 6.0027 6.0027 6.8561 6.8561 6.8562 6.8562 7.9498 7.9498 7.9498 7.9498 8.3640 8.3640 8.3640 8.3640 9.4988 9.4988 9.4989 9.4989 10.2763 10.2763 10.2763 10.2763 10.4745 10.4745 10.4746 10.4746 k = 0.0000 0.3618 0.0600 ( 5986 PWs) bands (ev): -2.1447 -2.1447 -2.1446 -2.1446 2.2582 2.2582 2.2583 2.2583 4.8851 4.8851 4.8852 4.8852 6.0051 6.0051 6.0051 6.0051 6.8552 6.8552 6.8553 6.8553 7.9320 7.9320 7.9320 7.9320 8.3543 8.3543 8.3543 8.3543 9.4712 9.4712 9.4712 9.4712 10.2496 10.2496 10.2496 10.2496 10.4887 10.4887 10.4887 10.4887 k = 0.0000 0.3618 0.0720 ( 5986 PWs) bands (ev): -2.1426 -2.1426 -2.1426 -2.1426 2.2376 2.2376 2.2377 2.2377 4.9286 4.9286 4.9286 4.9286 6.0079 6.0079 6.0080 6.0080 6.8536 6.8536 6.8537 6.8537 7.9085 7.9085 7.9085 7.9085 8.3456 8.3456 8.3456 8.3456 9.4400 9.4400 9.4400 9.4400 10.2224 10.2224 10.2224 10.2224 10.5042 10.5042 10.5042 10.5042 k = 0.0000 0.3618 0.0839 ( 5998 PWs) bands (ev): -2.1403 -2.1403 -2.1403 -2.1403 2.2148 2.2148 2.2149 2.2149 4.9784 4.9784 4.9784 4.9784 6.0112 6.0112 6.0112 6.0112 6.8511 6.8511 6.8512 6.8512 7.8788 7.8788 7.8788 7.8788 8.3387 8.3387 8.3387 8.3387 9.4061 9.4061 9.4061 9.4061 10.1961 10.1961 10.1961 10.1961 10.5204 10.5204 10.5205 10.5205 k = 0.0000 0.3618 0.0959 ( 6004 PWs) bands (ev): -2.1378 -2.1378 -2.1377 -2.1377 2.1902 2.1902 2.1903 2.1903 5.0341 5.0341 5.0341 5.0341 6.0148 6.0148 6.0148 6.0148 6.8473 6.8473 6.8473 6.8473 7.8429 7.8429 7.8429 7.8429 8.3346 8.3346 8.3346 8.3346 9.3705 9.3705 9.3706 9.3706 10.1716 10.1716 10.1716 10.1716 10.5369 10.5369 10.5369 10.5369 k = 0.0000 0.3618 0.1079 ( 6006 PWs) bands (ev): -2.1350 -2.1350 -2.1350 -2.1350 2.1645 2.1645 2.1645 2.1645 5.0950 5.0950 5.0950 5.0950 6.0187 6.0187 6.0187 6.0187 6.8417 6.8417 6.8418 6.8418 7.8014 7.8014 7.8014 7.8014 8.3336 8.3336 8.3336 8.3336 9.3341 9.3341 9.3342 9.3342 10.1495 10.1495 10.1495 10.1495 10.5531 10.5531 10.5532 10.5532 k = 0.0000 0.3618 0.1199 ( 6002 PWs) bands (ev): -2.1321 -2.1321 -2.1321 -2.1321 2.1381 2.1381 2.1382 2.1382 5.1606 5.1606 5.1606 5.1606 6.0228 6.0228 6.0228 6.0228 6.8338 6.8338 6.8339 6.8339 7.7552 7.7552 7.7553 7.7553 8.3357 8.3357 8.3357 8.3357 9.2976 9.2976 9.2977 9.2977 10.1299 10.1299 10.1299 10.1299 10.5689 10.5689 10.5689 10.5689 k = 0.0000 0.3618 0.1319 ( 5998 PWs) bands (ev): -2.1291 -2.1291 -2.1291 -2.1291 2.1117 2.1117 2.1117 2.1117 5.2302 5.2302 5.2302 5.2302 6.0270 6.0270 6.0271 6.0271 6.8230 6.8230 6.8230 6.8230 7.7058 7.7058 7.7059 7.7059 8.3404 8.3404 8.3404 8.3404 9.2616 9.2616 9.2616 9.2616 10.1129 10.1129 10.1129 10.1129 10.5840 10.5840 10.5840 10.5840 k = 0.0000 0.3618 0.1439 ( 6002 PWs) bands (ev): -2.1261 -2.1261 -2.1261 -2.1261 2.0856 2.0856 2.0857 2.0857 5.3033 5.3033 5.3034 5.3034 6.0314 6.0314 6.0314 6.0314 6.8084 6.8084 6.8084 6.8084 7.6547 7.6547 7.6548 7.6548 8.3475 8.3475 8.3475 8.3475 9.2267 9.2267 9.2267 9.2267 10.0985 10.0985 10.0985 10.0985 10.5982 10.5982 10.5983 10.5983 k = 0.0000 0.3618 0.1559 ( 5998 PWs) bands (ev): -2.1231 -2.1231 -2.1230 -2.1230 2.0603 2.0603 2.0604 2.0604 5.3795 5.3795 5.3795 5.3795 6.0357 6.0357 6.0357 6.0357 6.7892 6.7892 6.7893 6.7893 7.6036 7.6036 7.6037 7.6037 8.3564 8.3564 8.3564 8.3564 9.1933 9.1933 9.1934 9.1934 10.0865 10.0865 10.0865 10.0865 10.6115 10.6115 10.6116 10.6116 k = 0.0000 0.3618 0.1679 ( 6006 PWs) bands (ev): -2.1201 -2.1201 -2.1201 -2.1201 2.0363 2.0363 2.0364 2.0364 5.4581 5.4581 5.4581 5.4581 6.0400 6.0400 6.0400 6.0400 6.7646 6.7646 6.7647 6.7647 7.5542 7.5542 7.5542 7.5542 8.3665 8.3665 8.3665 8.3665 9.1620 9.1620 9.1620 9.1620 10.0766 10.0766 10.0766 10.0766 10.6238 10.6238 10.6238 10.6238 k = 0.0000 0.3618 0.1799 ( 6000 PWs) bands (ev): -2.1173 -2.1173 -2.1173 -2.1173 2.0139 2.0139 2.0140 2.0140 5.5387 5.5387 5.5387 5.5387 6.0441 6.0441 6.0441 6.0441 6.7337 6.7337 6.7338 6.7338 7.5081 7.5081 7.5081 7.5081 8.3773 8.3773 8.3773 8.3773 9.1330 9.1330 9.1331 9.1331 10.0687 10.0687 10.0687 10.0687 10.6349 10.6349 10.6349 10.6349 k = 0.0000 0.3618 0.1919 ( 5994 PWs) bands (ev): -2.1147 -2.1147 -2.1146 -2.1146 1.9934 1.9934 1.9935 1.9935 5.6207 5.6207 5.6207 5.6207 6.0479 6.0479 6.0480 6.0480 6.6960 6.6960 6.6960 6.6960 7.4665 7.4665 7.4665 7.4665 8.3883 8.3883 8.3884 8.3884 9.1068 9.1068 9.1068 9.1068 10.0624 10.0624 10.0624 10.0624 10.6449 10.6449 10.6449 10.6449 k = 0.0000 0.3618 0.2039 ( 5990 PWs) bands (ev): -2.1123 -2.1123 -2.1122 -2.1122 1.9751 1.9751 1.9752 1.9752 5.7035 5.7035 5.7036 5.7036 6.0515 6.0515 6.0515 6.0515 6.6512 6.6512 6.6512 6.6512 7.4305 7.4305 7.4305 7.4305 8.3991 8.3991 8.3991 8.3991 9.0835 9.0835 9.0835 9.0835 10.0576 10.0576 10.0576 10.0576 10.6537 10.6537 10.6537 10.6537 k = 0.0000 0.3618 0.2159 ( 5994 PWs) bands (ev): -2.1102 -2.1102 -2.1101 -2.1101 1.9592 1.9592 1.9592 1.9592 5.7865 5.7865 5.7865 5.7865 6.0547 6.0547 6.0548 6.0548 6.5996 6.5996 6.5997 6.5997 7.4006 7.4006 7.4006 7.4006 8.4090 8.4090 8.4090 8.4090 9.0634 9.0634 9.0634 9.0634 10.0540 10.0540 10.0540 10.0540 10.6612 10.6612 10.6612 10.6612 k = 0.0000 0.3618 0.2278 ( 6002 PWs) bands (ev): -2.1084 -2.1084 -2.1083 -2.1083 1.9459 1.9459 1.9460 1.9460 5.8686 5.8686 5.8686 5.8686 6.0577 6.0577 6.0577 6.0577 6.5422 6.5422 6.5423 6.5423 7.3767 7.3767 7.3767 7.3767 8.4178 8.4178 8.4178 8.4178 9.0467 9.0467 9.0467 9.0467 10.0514 10.0514 10.0514 10.0514 10.6674 10.6674 10.6674 10.6674 k = 0.0000 0.3618 0.2398 ( 5996 PWs) bands (ev): -2.1069 -2.1069 -2.1069 -2.1069 1.9354 1.9354 1.9355 1.9355 5.9479 5.9479 5.9479 5.9479 6.0607 6.0607 6.0607 6.0607 6.4808 6.4808 6.4809 6.4809 7.3588 7.3588 7.3588 7.3588 8.4250 8.4250 8.4250 8.4250 9.0335 9.0335 9.0336 9.0336 10.0495 10.0495 10.0495 10.0495 10.6723 10.6723 10.6723 10.6723 k = 0.0000 0.3618 0.2518 ( 5988 PWs) bands (ev): -2.1059 -2.1059 -2.1059 -2.1059 1.9278 1.9278 1.9279 1.9279 6.0191 6.0191 6.0191 6.0191 6.0661 6.0661 6.0661 6.0661 6.4188 6.4188 6.4189 6.4189 7.3463 7.3463 7.3463 7.3463 8.4304 8.4304 8.4304 8.4304 9.0240 9.0240 9.0241 9.0241 10.0483 10.0483 10.0484 10.0484 10.6758 10.6758 10.6758 10.6758 k = 0.0000 0.3618 0.2638 ( 5988 PWs) bands (ev): -2.1053 -2.1053 -2.1052 -2.1052 1.9232 1.9232 1.9233 1.9233 6.0531 6.0531 6.0531 6.0531 6.0950 6.0950 6.0950 6.0950 6.3644 6.3644 6.3645 6.3645 7.3390 7.3390 7.3390 7.3390 8.4338 8.4338 8.4338 8.4338 9.0183 9.0183 9.0184 9.0184 10.0477 10.0477 10.0477 10.0477 10.6779 10.6779 10.6779 10.6779 k = 0.0000 0.3618 0.2758 ( 5980 PWs) bands (ev): -2.1050 -2.1050 -2.1050 -2.1050 1.9217 1.9217 1.9218 1.9218 6.0564 6.0564 6.0564 6.0564 6.1196 6.1196 6.1196 6.1196 6.3394 6.3394 6.3394 6.3394 7.3366 7.3366 7.3366 7.3366 8.4349 8.4349 8.4349 8.4349 9.0164 9.0164 9.0164 9.0164 10.0475 10.0475 10.0475 10.0475 10.6786 10.6786 10.6786 10.6786 k = 0.5000-0.0000 0.2758 ( 6004 PWs) bands (ev): -0.1793 -0.1793 -0.1793 -0.1793 -0.1787 -0.1787 -0.1787 -0.1787 5.6765 5.6765 5.6765 5.6765 5.6958 5.6958 5.6958 5.6958 6.5866 6.5866 6.5866 6.5866 6.5892 6.5892 6.5892 6.5892 7.9790 7.9790 7.9790 7.9790 7.9964 7.9964 7.9964 7.9964 12.0769 12.0769 12.0769 12.0769 12.0924 12.0924 12.0924 12.0924 k = 0.5000-0.0000 0.2638 ( 6012 PWs) bands (ev): -0.1938 -0.1938 -0.1938 -0.1938 -0.1641 -0.1641 -0.1641 -0.1641 5.6751 5.6751 5.6751 5.6751 5.6960 5.6960 5.6960 5.6960 6.5697 6.5697 6.5697 6.5697 6.6074 6.6074 6.6074 6.6074 7.9775 7.9775 7.9775 7.9775 7.9988 7.9988 7.9988 7.9988 12.0750 12.0750 12.0750 12.0750 12.0918 12.0918 12.0918 12.0918 k = 0.5000-0.0000 0.2518 ( 6016 PWs) bands (ev): -0.2085 -0.2085 -0.2085 -0.2085 -0.1493 -0.1493 -0.1493 -0.1493 5.6714 5.6714 5.6714 5.6714 5.6962 5.6962 5.6962 5.6962 6.5531 6.5531 6.5531 6.5531 6.6281 6.6281 6.6281 6.6281 7.9744 7.9744 7.9744 7.9744 8.0047 8.0047 8.0047 8.0047 12.0700 12.0700 12.0700 12.0700 12.0892 12.0892 12.0892 12.0892 k = 0.5000-0.0000 0.2398 ( 6004 PWs) bands (ev): -0.2230 -0.2230 -0.2230 -0.2230 -0.1345 -0.1345 -0.1345 -0.1345 5.6660 5.6660 5.6660 5.6660 5.6959 5.6959 5.6959 5.6959 6.5381 6.5381 6.5381 6.5381 6.6499 6.6499 6.6499 6.6499 7.9712 7.9712 7.9712 7.9712 8.0125 8.0125 8.0125 8.0125 12.0628 12.0628 12.0628 12.0628 12.0839 12.0839 12.0840 12.0840 k = 0.5000-0.0000 0.2278 ( 6002 PWs) bands (ev): -0.2372 -0.2372 -0.2372 -0.2372 -0.1198 -0.1198 -0.1198 -0.1198 5.6593 5.6593 5.6593 5.6593 5.6946 5.6946 5.6946 5.6946 6.5248 6.5248 6.5248 6.5248 6.6725 6.6725 6.6725 6.6725 7.9685 7.9685 7.9685 7.9685 8.0216 8.0216 8.0216 8.0216 12.0540 12.0540 12.0540 12.0540 12.0752 12.0752 12.0752 12.0752 k = 0.5000-0.0000 0.2159 ( 5998 PWs) bands (ev): -0.2511 -0.2511 -0.2511 -0.2511 -0.1054 -0.1054 -0.1054 -0.1054 5.6518 5.6518 5.6518 5.6518 5.6923 5.6923 5.6923 5.6923 6.5132 6.5132 6.5132 6.5132 6.6958 6.6958 6.6958 6.6958 7.9662 7.9662 7.9662 7.9662 8.0318 8.0318 8.0318 8.0318 12.0442 12.0442 12.0442 12.0442 12.0630 12.0630 12.0630 12.0630 k = 0.5000-0.0000 0.2039 ( 6000 PWs) bands (ev): -0.2646 -0.2646 -0.2646 -0.2646 -0.0912 -0.0912 -0.0912 -0.0912 5.6436 5.6436 5.6436 5.6436 5.6888 5.6888 5.6888 5.6888 6.5033 6.5033 6.5033 6.5033 6.7195 6.7195 6.7195 6.7195 7.9645 7.9645 7.9645 7.9645 8.0429 8.0429 8.0429 8.0429 12.0334 12.0334 12.0334 12.0334 12.0475 12.0475 12.0475 12.0475 k = 0.5000-0.0000 0.1919 ( 5998 PWs) bands (ev): -0.2777 -0.2777 -0.2777 -0.2777 -0.0774 -0.0774 -0.0774 -0.0774 5.6350 5.6350 5.6350 5.6350 5.6842 5.6842 5.6842 5.6842 6.4951 6.4951 6.4951 6.4951 6.7435 6.7435 6.7435 6.7435 7.9632 7.9632 7.9632 7.9632 8.0548 8.0548 8.0548 8.0548 12.0202 12.0202 12.0203 12.0203 12.0312 12.0312 12.0312 12.0312 k = 0.5000-0.0000 0.1799 ( 6002 PWs) bands (ev): -0.2903 -0.2903 -0.2903 -0.2903 -0.0641 -0.0641 -0.0641 -0.0641 5.6262 5.6262 5.6262 5.6262 5.6787 5.6787 5.6787 5.6787 6.4883 6.4883 6.4883 6.4883 6.7675 6.7675 6.7675 6.7675 7.9622 7.9622 7.9622 7.9622 8.0674 8.0674 8.0674 8.0674 12.0011 12.0011 12.0011 12.0011 12.0184 12.0184 12.0184 12.0184 k = 0.5000-0.0000 0.1679 ( 6002 PWs) bands (ev): -0.3023 -0.3023 -0.3023 -0.3023 -0.0512 -0.0512 -0.0512 -0.0512 5.6172 5.6172 5.6172 5.6172 5.6723 5.6723 5.6723 5.6723 6.4831 6.4831 6.4831 6.4831 6.7913 6.7913 6.7913 6.7913 7.9616 7.9616 7.9616 7.9616 8.0805 8.0805 8.0805 8.0805 11.9777 11.9777 11.9777 11.9777 12.0086 12.0086 12.0086 12.0086 k = 0.5000-0.0000 0.1559 ( 5994 PWs) bands (ev): -0.3137 -0.3137 -0.3137 -0.3137 -0.0389 -0.0389 -0.0389 -0.0389 5.6083 5.6083 5.6083 5.6083 5.6652 5.6652 5.6652 5.6652 6.4791 6.4791 6.4791 6.4791 6.8147 6.8147 6.8147 6.8147 7.9611 7.9611 7.9611 7.9611 8.0940 8.0940 8.0940 8.0940 11.9525 11.9525 11.9525 11.9525 12.0002 12.0002 12.0002 12.0002 k = 0.5000-0.0000 0.1439 ( 5990 PWs) bands (ev): -0.3244 -0.3244 -0.3244 -0.3244 -0.0272 -0.0272 -0.0272 -0.0272 5.5995 5.5995 5.5995 5.5995 5.6577 5.6577 5.6577 5.6577 6.4762 6.4762 6.4762 6.4762 6.8376 6.8376 6.8376 6.8376 7.9608 7.9608 7.9608 7.9608 8.1077 8.1077 8.1077 8.1077 11.9265 11.9265 11.9265 11.9265 11.9933 11.9933 11.9933 11.9933 k = 0.5000-0.0000 0.1319 ( 6004 PWs) bands (ev): -0.3345 -0.3345 -0.3345 -0.3345 -0.0161 -0.0161 -0.0161 -0.0161 5.5910 5.5910 5.5910 5.5910 5.6499 5.6499 5.6499 5.6499 6.4743 6.4743 6.4743 6.4743 6.8596 6.8596 6.8596 6.8596 7.9605 7.9605 7.9605 7.9605 8.1213 8.1213 8.1213 8.1213 11.9005 11.9005 11.9006 11.9006 11.9878 11.9878 11.9878 11.9878 k = 0.5000-0.0000 0.1199 ( 5992 PWs) bands (ev): -0.3438 -0.3438 -0.3438 -0.3438 -0.0059 -0.0059 -0.0059 -0.0059 5.5828 5.5828 5.5828 5.5828 5.6420 5.6420 5.6420 5.6420 6.4732 6.4732 6.4732 6.4732 6.8806 6.8806 6.8806 6.8806 7.9602 7.9602 7.9602 7.9602 8.1348 8.1348 8.1348 8.1348 11.8752 11.8752 11.8752 11.8752 11.9839 11.9839 11.9839 11.9839 k = 0.5000-0.0000 0.1079 ( 5978 PWs) bands (ev): -0.3524 -0.3524 -0.3524 -0.3524 0.0036 0.0036 0.0036 0.0036 5.5751 5.5751 5.5751 5.5751 5.6343 5.6343 5.6343 5.6343 6.4728 6.4728 6.4728 6.4728 6.9004 6.9004 6.9004 6.9004 7.9600 7.9600 7.9600 7.9600 8.1478 8.1478 8.1478 8.1478 11.8509 11.8509 11.8509 11.8509 11.9818 11.9818 11.9818 11.9818 k = 0.5000-0.0000 0.0959 ( 5974 PWs) bands (ev): -0.3601 -0.3601 -0.3601 -0.3601 0.0122 0.0122 0.0122 0.0122 5.5680 5.5680 5.5680 5.5680 5.6269 5.6269 5.6269 5.6269 6.4728 6.4728 6.4728 6.4728 6.9187 6.9187 6.9187 6.9187 7.9596 7.9596 7.9596 7.9596 8.1602 8.1602 8.1602 8.1602 11.8282 11.8282 11.8282 11.8282 11.9815 11.9815 11.9815 11.9815 k = 0.5000-0.0000 0.0839 ( 5970 PWs) bands (ev): -0.3671 -0.3671 -0.3671 -0.3671 0.0200 0.0200 0.0200 0.0200 5.5615 5.5615 5.5616 5.5616 5.6200 5.6200 5.6200 5.6200 6.4731 6.4731 6.4731 6.4731 6.9355 6.9355 6.9355 6.9355 7.9592 7.9592 7.9592 7.9592 8.1718 8.1718 8.1718 8.1718 11.8074 11.8074 11.8074 11.8074 11.9831 11.9831 11.9831 11.9831 k = 0.5000-0.0000 0.0720 ( 5978 PWs) bands (ev): -0.3731 -0.3731 -0.3731 -0.3731 0.0268 0.0268 0.0268 0.0268 5.5558 5.5558 5.5558 5.5558 5.6137 5.6137 5.6137 5.6137 6.4737 6.4737 6.4737 6.4737 6.9505 6.9505 6.9505 6.9505 7.9588 7.9588 7.9588 7.9588 8.1823 8.1823 8.1823 8.1823 11.7887 11.7887 11.7887 11.7887 11.9865 11.9865 11.9865 11.9865 k = 0.5000-0.0000 0.0600 ( 5974 PWs) bands (ev): -0.3783 -0.3783 -0.3783 -0.3783 0.0326 0.0326 0.0326 0.0326 5.5508 5.5508 5.5508 5.5508 5.6081 5.6081 5.6081 5.6081 6.4744 6.4744 6.4744 6.4744 6.9635 6.9635 6.9635 6.9635 7.9584 7.9584 7.9584 7.9584 8.1915 8.1915 8.1915 8.1915 11.7725 11.7725 11.7725 11.7725 11.9915 11.9915 11.9915 11.9915 k = 0.5000-0.0000 0.0480 ( 5974 PWs) bands (ev): -0.3825 -0.3825 -0.3825 -0.3825 0.0374 0.0374 0.0374 0.0374 5.5466 5.5466 5.5466 5.5466 5.6034 5.6034 5.6034 5.6034 6.4751 6.4751 6.4751 6.4751 6.9743 6.9743 6.9743 6.9743 7.9580 7.9580 7.9580 7.9580 8.1994 8.1994 8.1994 8.1994 11.7590 11.7590 11.7590 11.7590 11.9979 11.9979 11.9979 11.9979 k = 0.5000-0.0000 0.0360 ( 5986 PWs) bands (ev): -0.3858 -0.3858 -0.3858 -0.3858 0.0411 0.0411 0.0411 0.0411 5.5433 5.5433 5.5433 5.5433 5.5997 5.5997 5.5997 5.5997 6.4757 6.4757 6.4757 6.4757 6.9830 6.9830 6.9830 6.9830 7.9576 7.9576 7.9576 7.9576 8.2056 8.2056 8.2056 8.2056 11.7483 11.7483 11.7483 11.7483 12.0052 12.0052 12.0052 12.0052 k = 0.5000-0.0000 0.0240 ( 5986 PWs) bands (ev): -0.3882 -0.3882 -0.3882 -0.3882 0.0438 0.0438 0.0438 0.0438 5.5409 5.5409 5.5409 5.5409 5.5970 5.5970 5.5970 5.5970 6.4762 6.4762 6.4762 6.4762 6.9892 6.9892 6.9892 6.9892 7.9573 7.9573 7.9573 7.9573 8.2102 8.2102 8.2102 8.2102 11.7405 11.7405 11.7405 11.7405 12.0122 12.0122 12.0122 12.0122 k = 0.5000-0.0000 0.0120 ( 5986 PWs) bands (ev): -0.3896 -0.3896 -0.3896 -0.3896 0.0455 0.0455 0.0455 0.0455 5.5395 5.5395 5.5395 5.5395 5.5953 5.5953 5.5953 5.5953 6.4765 6.4765 6.4765 6.4765 6.9930 6.9930 6.9930 6.9930 7.9571 7.9571 7.9571 7.9571 8.2129 8.2129 8.2129 8.2129 11.7358 11.7358 11.7358 11.7358 12.0177 12.0177 12.0177 12.0177 k = 0.5000-0.0000-0.0000 ( 5992 PWs) bands (ev): -0.3901 -0.3901 -0.3901 -0.3901 0.0460 0.0460 0.0460 0.0460 5.5390 5.5390 5.5390 5.5390 5.5948 5.5948 5.5948 5.5948 6.4766 6.4766 6.4766 6.4766 6.9942 6.9942 6.9942 6.9942 7.9571 7.9571 7.9571 7.9571 8.2139 8.2139 8.2139 8.2139 11.7343 11.7343 11.7343 11.7343 12.0198 12.0198 12.0198 12.0198 k = 0.5000 0.3618-0.0000 ( 5992 PWs) bands (ev): -0.1031 -0.1031 -0.1031 -0.1031 0.0779 0.0779 0.0779 0.0779 4.4871 4.4871 4.4871 4.4871 5.4883 5.4883 5.4883 5.4883 6.7460 6.7460 6.7460 6.7460 7.0129 7.0129 7.0129 7.0129 8.8492 8.8492 8.8492 8.8492 9.1573 9.1573 9.1573 9.1573 9.6828 9.6828 9.6828 9.6828 10.3943 10.3943 10.3943 10.3943 k = 0.5000 0.3618 0.0120 ( 5996 PWs) bands (ev): -0.1029 -0.1029 -0.1029 -0.1029 0.0777 0.0777 0.0777 0.0777 4.4882 4.4882 4.4882 4.4882 5.4873 5.4873 5.4873 5.4873 6.7468 6.7468 6.7468 6.7468 7.0126 7.0126 7.0126 7.0126 8.8439 8.8439 8.8439 8.8439 9.1503 9.1503 9.1503 9.1503 9.6899 9.6899 9.6899 9.6899 10.4026 10.4026 10.4026 10.4026 k = 0.5000 0.3618 0.0240 ( 6000 PWs) bands (ev): -0.1023 -0.1023 -0.1023 -0.1023 0.0771 0.0771 0.0771 0.0771 4.4915 4.4915 4.4915 4.4915 5.4840 5.4840 5.4840 5.4840 6.7491 6.7491 6.7491 6.7491 7.0118 7.0118 7.0118 7.0118 8.8285 8.8285 8.8285 8.8285 9.1299 9.1299 9.1299 9.1299 9.7109 9.7109 9.7109 9.7109 10.4270 10.4270 10.4270 10.4270 k = 0.5000 0.3618 0.0360 ( 5988 PWs) bands (ev): -0.1013 -0.1013 -0.1013 -0.1013 0.0760 0.0760 0.0760 0.0760 4.4969 4.4969 4.4969 4.4969 5.4785 5.4785 5.4785 5.4785 6.7530 6.7530 6.7530 6.7530 7.0105 7.0105 7.0105 7.0105 8.8042 8.8042 8.8042 8.8042 9.0977 9.0977 9.0977 9.0977 9.7444 9.7444 9.7444 9.7444 10.4658 10.4658 10.4658 10.4658 k = 0.5000 0.3618 0.0480 ( 5992 PWs) bands (ev): -0.0999 -0.0999 -0.0999 -0.0999 0.0745 0.0745 0.0745 0.0745 4.5044 4.5044 4.5044 4.5044 5.4707 5.4707 5.4707 5.4707 6.7584 6.7584 6.7584 6.7584 7.0090 7.0090 7.0090 7.0090 8.7729 8.7729 8.7729 8.7729 9.0558 9.0558 9.0558 9.0558 9.7888 9.7888 9.7888 9.7888 10.5169 10.5169 10.5169 10.5169 k = 0.5000 0.3618 0.0600 ( 5992 PWs) bands (ev): -0.0981 -0.0981 -0.0981 -0.0981 0.0726 0.0726 0.0726 0.0726 4.5141 4.5141 4.5141 4.5141 5.4608 5.4608 5.4608 5.4608 6.7653 6.7653 6.7653 6.7653 7.0072 7.0072 7.0072 7.0072 8.7362 8.7362 8.7362 8.7362 9.0064 9.0064 9.0064 9.0064 9.8424 9.8424 9.8424 9.8424 10.5777 10.5777 10.5777 10.5777 k = 0.5000 0.3618 0.0720 ( 5988 PWs) bands (ev): -0.0959 -0.0959 -0.0959 -0.0959 0.0703 0.0703 0.0703 0.0703 4.5258 4.5258 4.5258 4.5258 5.4487 5.4487 5.4487 5.4487 6.7737 6.7737 6.7737 6.7737 7.0055 7.0055 7.0055 7.0055 8.6957 8.6957 8.6957 8.6957 8.9515 8.9515 8.9515 8.9515 9.9035 9.9035 9.9035 9.9035 10.6462 10.6462 10.6462 10.6462 k = 0.5000 0.3618 0.0839 ( 5984 PWs) bands (ev): -0.0933 -0.0933 -0.0933 -0.0933 0.0676 0.0676 0.0676 0.0676 4.5396 4.5396 4.5396 4.5396 5.4343 5.4343 5.4343 5.4343 6.7834 6.7834 6.7834 6.7834 7.0041 7.0041 7.0041 7.0041 8.6526 8.6526 8.6526 8.6526 8.8931 8.8931 8.8931 8.8931 9.9711 9.9711 9.9711 9.9711 10.7204 10.7204 10.7204 10.7204 k = 0.5000 0.3618 0.0959 ( 5984 PWs) bands (ev): -0.0904 -0.0904 -0.0904 -0.0904 0.0645 0.0645 0.0645 0.0645 4.5553 4.5553 4.5553 4.5553 5.4177 5.4177 5.4177 5.4177 6.7945 6.7945 6.7945 6.7945 7.0030 7.0030 7.0030 7.0030 8.6079 8.6079 8.6079 8.6079 8.8325 8.8325 8.8325 8.8325 10.0440 10.0440 10.0440 10.0440 10.7987 10.7987 10.7987 10.7987 k = 0.5000 0.3618 0.1079 ( 5988 PWs) bands (ev): -0.0871 -0.0871 -0.0871 -0.0871 0.0611 0.0611 0.0611 0.0611 4.5730 4.5730 4.5730 4.5730 5.3989 5.3989 5.3989 5.3989 6.8069 6.8069 6.8069 6.8069 7.0025 7.0025 7.0025 7.0025 8.5625 8.5625 8.5625 8.5625 8.7709 8.7709 8.7709 8.7709 10.1214 10.1214 10.1214 10.1214 10.8797 10.8797 10.8797 10.8797 k = 0.5000 0.3618 0.1199 ( 5984 PWs) bands (ev): -0.0835 -0.0835 -0.0835 -0.0835 0.0573 0.0573 0.0573 0.0573 4.5926 4.5926 4.5926 4.5926 5.3780 5.3780 5.3780 5.3780 6.8204 6.8204 6.8204 6.8204 7.0026 7.0026 7.0026 7.0026 8.5170 8.5170 8.5170 8.5170 8.7092 8.7092 8.7092 8.7092 10.2027 10.2027 10.2027 10.2027 10.9620 10.9620 10.9620 10.9620 k = 0.5000 0.3618 0.1319 ( 5984 PWs) bands (ev): -0.0796 -0.0796 -0.0796 -0.0796 0.0531 0.0531 0.0531 0.0531 4.6139 4.6139 4.6139 4.6139 5.3551 5.3551 5.3551 5.3551 6.8349 6.8349 6.8349 6.8349 7.0035 7.0035 7.0035 7.0035 8.4721 8.4721 8.4721 8.4721 8.6483 8.6483 8.6483 8.6483 10.2874 10.2874 10.2874 10.2874 11.0446 11.0446 11.0446 11.0446 k = 0.5000 0.3618 0.1439 ( 5988 PWs) bands (ev): -0.0754 -0.0754 -0.0754 -0.0754 0.0487 0.0487 0.0487 0.0487 4.6370 4.6370 4.6370 4.6370 5.3303 5.3303 5.3303 5.3303 6.8504 6.8504 6.8504 6.8504 7.0052 7.0052 7.0052 7.0052 8.4284 8.4284 8.4284 8.4284 8.5889 8.5889 8.5889 8.5889 10.3749 10.3749 10.3749 10.3749 11.1263 11.1263 11.1263 11.1263 k = 0.5000 0.3618 0.1559 ( 5984 PWs) bands (ev): -0.0709 -0.0709 -0.0709 -0.0709 0.0440 0.0440 0.0440 0.0440 4.6617 4.6617 4.6617 4.6617 5.3036 5.3036 5.3036 5.3036 6.8665 6.8665 6.8665 6.8665 7.0075 7.0075 7.0075 7.0075 8.3863 8.3863 8.3863 8.3863 8.5315 8.5315 8.5315 8.5315 10.4648 10.4648 10.4648 10.4648 11.2059 11.2059 11.2059 11.2059 k = 0.5000 0.3618 0.1679 ( 5980 PWs) bands (ev): -0.0661 -0.0661 -0.0661 -0.0661 0.0390 0.0390 0.0390 0.0390 4.6880 4.6880 4.6880 4.6880 5.2753 5.2753 5.2753 5.2753 6.8832 6.8832 6.8832 6.8832 7.0103 7.0103 7.0103 7.0103 8.3466 8.3466 8.3466 8.3466 8.4767 8.4767 8.4767 8.4767 10.5566 10.5566 10.5566 10.5566 11.2820 11.2820 11.2820 11.2820 k = 0.5000 0.3618 0.1799 ( 5968 PWs) bands (ev): -0.0611 -0.0611 -0.0611 -0.0611 0.0338 0.0338 0.0338 0.0338 4.7157 4.7157 4.7157 4.7157 5.2454 5.2454 5.2454 5.2454 6.9001 6.9001 6.9001 6.9001 7.0134 7.0134 7.0134 7.0134 8.3096 8.3096 8.3096 8.3096 8.4251 8.4251 8.4251 8.4251 10.6499 10.6499 10.6499 10.6499 11.3530 11.3530 11.3530 11.3530 k = 0.5000 0.3618 0.1919 ( 5964 PWs) bands (ev): -0.0558 -0.0558 -0.0558 -0.0558 0.0285 0.0285 0.0285 0.0285 4.7447 4.7447 4.7447 4.7447 5.2143 5.2143 5.2143 5.2143 6.9170 6.9170 6.9170 6.9170 7.0165 7.0165 7.0165 7.0165 8.2760 8.2760 8.2760 8.2760 8.3770 8.3770 8.3770 8.3770 10.7443 10.7443 10.7443 10.7443 11.4170 11.4170 11.4170 11.4170 k = 0.5000 0.3618 0.2039 ( 5964 PWs) bands (ev): -0.0504 -0.0504 -0.0504 -0.0504 0.0229 0.0229 0.0229 0.0229 4.7750 4.7750 4.7750 4.7750 5.1820 5.1820 5.1820 5.1820 6.9337 6.9337 6.9337 6.9337 7.0194 7.0194 7.0194 7.0194 8.2463 8.2463 8.2463 8.2463 8.3331 8.3331 8.3331 8.3331 10.8391 10.8391 10.8391 10.8391 11.4711 11.4711 11.4711 11.4711 k = 0.5000 0.3618 0.2159 ( 5960 PWs) bands (ev): -0.0449 -0.0449 -0.0449 -0.0449 0.0172 0.0172 0.0172 0.0172 4.8064 4.8064 4.8064 4.8064 5.1488 5.1488 5.1488 5.1488 6.9497 6.9497 6.9497 6.9497 7.0215 7.0215 7.0215 7.0215 8.2212 8.2212 8.2212 8.2212 8.2937 8.2937 8.2937 8.2937 10.9339 10.9339 10.9339 10.9339 11.5110 11.5110 11.5110 11.5110 k = 0.5000 0.3618 0.2278 ( 5960 PWs) bands (ev): -0.0392 -0.0392 -0.0392 -0.0392 0.0114 0.0114 0.0114 0.0114 4.8387 4.8387 4.8387 4.8387 5.1148 5.1148 5.1148 5.1148 6.9648 6.9648 6.9648 6.9648 7.0226 7.0226 7.0226 7.0226 8.2011 8.2011 8.2011 8.2011 8.2593 8.2593 8.2593 8.2593 11.0280 11.0280 11.0280 11.0280 11.5311 11.5311 11.5311 11.5311 k = 0.5000 0.3618 0.2398 ( 5964 PWs) bands (ev): -0.0336 -0.0336 -0.0336 -0.0336 0.0057 0.0057 0.0057 0.0057 4.8718 4.8718 4.8718 4.8718 5.0803 5.0803 5.0803 5.0803 6.9786 6.9786 6.9786 6.9786 7.0223 7.0223 7.0223 7.0223 8.1866 8.1866 8.1866 8.1866 8.2304 8.2304 8.2304 8.2304 11.1203 11.1203 11.1203 11.1203 11.5260 11.5260 11.5260 11.5260 k = 0.5000 0.3618 0.2518 ( 5964 PWs) bands (ev): -0.0281 -0.0281 -0.0281 -0.0281 0.0001 0.0001 0.0001 0.0001 4.9056 4.9056 4.9056 4.9056 5.0456 5.0456 5.0456 5.0456 6.9908 6.9908 6.9908 6.9908 7.0203 7.0203 7.0203 7.0203 8.1780 8.1780 8.1780 8.1780 8.2073 8.2073 8.2073 8.2073 11.2098 11.2098 11.2098 11.2098 11.4948 11.4948 11.4948 11.4948 k = 0.5000 0.3618 0.2638 ( 5972 PWs) bands (ev): -0.0232 -0.0232 -0.0232 -0.0232 -0.0048 -0.0048 -0.0048 -0.0048 4.9398 4.9398 4.9398 4.9398 5.0108 5.0108 5.0108 5.0108 7.0009 7.0009 7.0009 7.0009 7.0165 7.0165 7.0165 7.0165 8.1756 8.1756 8.1756 8.1756 8.1904 8.1904 8.1904 8.1904 11.2948 11.2948 11.2948 11.2948 11.4420 11.4420 11.4420 11.4420 k = 0.5000 0.3618 0.2758 ( 5968 PWs) bands (ev): -0.0209 -0.0209 -0.0209 -0.0209 -0.0071 -0.0071 -0.0071 -0.0071 4.9686 4.9686 4.9686 4.9686 4.9818 4.9818 4.9818 4.9818 7.0069 7.0069 7.0069 7.0069 7.0127 7.0127 7.0127 7.0127 8.1789 8.1789 8.1789 8.1789 8.1807 8.1807 8.1807 8.1807 11.3668 11.3668 11.3668 11.3668 11.3803 11.3803 11.3803 11.3803 Writing output data file ZrGe.save init_run : 0.08s CPU 0.18s WALL ( 1 calls) electrons : 246.18s CPU 250.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 246.18s CPU 250.10s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 388 calls) cegterg : 222.17s CPU 225.34s WALL ( 939 calls) Called by sum_band: Called by *egterg: h_psi : 129.46s CPU 131.60s WALL ( 15945 calls) s_psi : 4.73s CPU 4.79s WALL ( 15945 calls) g_psi : 0.54s CPU 0.57s WALL ( 14618 calls) cdiaghg : 75.78s CPU 76.85s WALL ( 15006 calls) cegterg:over : 10.06s CPU 10.12s WALL ( 14618 calls) cegterg:upda : 10.48s CPU 10.51s WALL ( 14618 calls) cegterg:last : 5.51s CPU 5.54s WALL ( 2612 calls) cdiaghg:chol : 4.34s CPU 4.33s WALL ( 15006 calls) cdiaghg:inve : 2.31s CPU 2.36s WALL ( 15006 calls) cdiaghg:para : 4.26s CPU 4.39s WALL ( 30012 calls) Called by h_psi: h_psi:vloc : 113.36s CPU 115.47s WALL ( 15945 calls) h_psi:vnl : 15.55s CPU 15.60s WALL ( 15945 calls) add_vuspsi : 6.61s CPU 6.82s WALL ( 15945 calls) General routines calbec : 8.87s CPU 8.74s WALL ( 15945 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 107.39s CPU 109.39s WALL ( 1290888 calls) davcio : 0.26s CPU 0.28s WALL ( 776 calls) Parallel routines fft_scatter : 41.48s CPU 42.25s WALL ( 1290903 calls) PWSCF : 4m23.54s CPU 4m41.73s WALL This run was terminated on: 18:58: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=