Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:43:44 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: ./CuF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 23 7 1227 605 101 Max 38 24 8 1232 621 103 Sum 1355 859 259 44237 22151 3671 bravais-lattice index = 14 lattice parameter (alat) = 8.5794 a.u. unit-cell volume = 463.7177 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.579356 celldm(2)= 0.731278 celldm(3)= 1.176931 celldm(4)= 0.521566 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 0.731278 0.000000 ) a(3) = ( 0.000000 0.613848 1.004170 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.367470 -0.835932 ) b(3) = ( 0.000000 0.000000 0.995847 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.3069238 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5020851 ) 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 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.3069238 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5020851 ) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0142264), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0284528), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0426792), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0569055), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0711319), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.0853583), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.0995847), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.1138111), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.1280375), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.1422639), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.1564903), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.1707166), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.1849430), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.1991694), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.2133958), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.2276222), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.2418486), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.2560750), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.2703013), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.2845277), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.2987541), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.3129805), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.3272069), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.3414333), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.3556597), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.3698860), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.3841124), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.3983388), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.4125652), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.4267916), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.4410180), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.4552444), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.4694707), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.4836971), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 38) = ( 0.0000000 0.0144286 0.4979235), wk = 0.0028736 k( 39) = ( 0.0000000 0.0288571 0.4979235), wk = 0.0028736 k( 40) = ( 0.0000000 0.0432857 0.4979235), wk = 0.0028736 k( 41) = ( 0.0000000 0.0577143 0.4979235), wk = 0.0028736 k( 42) = ( 0.0000000 0.0721428 0.4979235), wk = 0.0028736 k( 43) = ( 0.0000000 0.0865714 0.4979235), wk = 0.0028736 k( 44) = ( 0.0000000 0.1010000 0.4979235), wk = 0.0028736 k( 45) = ( 0.0000000 0.1154286 0.4979235), wk = 0.0028736 k( 46) = ( 0.0000000 0.1298571 0.4979235), wk = 0.0028736 k( 47) = ( 0.0000000 0.1442857 0.4979235), wk = 0.0028736 k( 48) = ( 0.0000000 0.1587143 0.4979235), wk = 0.0028736 k( 49) = ( 0.0000000 0.1731428 0.4979235), wk = 0.0028736 k( 50) = ( 0.0000000 0.1875714 0.4979235), wk = 0.0028736 k( 51) = ( 0.0000000 0.2020000 0.4979235), wk = 0.0028736 k( 52) = ( 0.0000000 0.2164285 0.4979235), wk = 0.0028736 k( 53) = ( 0.0000000 0.2308571 0.4979235), wk = 0.0028736 k( 54) = ( 0.0000000 0.2452857 0.4979235), wk = 0.0028736 k( 55) = ( 0.0000000 0.2597143 0.4979235), wk = 0.0028736 k( 56) = ( 0.0000000 0.2741428 0.4979235), wk = 0.0028736 k( 57) = ( 0.0000000 0.2885714 0.4979235), wk = 0.0028736 k( 58) = ( 0.0000000 0.3030000 0.4979235), wk = 0.0028736 k( 59) = ( 0.0000000 0.3174285 0.4979235), wk = 0.0028736 k( 60) = ( 0.0000000 0.3318571 0.4979235), wk = 0.0028736 k( 61) = ( 0.0000000 0.3462857 0.4979235), wk = 0.0028736 k( 62) = ( 0.0000000 0.3607142 0.4979235), wk = 0.0028736 k( 63) = ( 0.0000000 0.3751428 0.4979235), wk = 0.0028736 k( 64) = ( 0.0000000 0.3895714 0.4979235), wk = 0.0028736 k( 65) = ( 0.0000000 0.4040000 0.4979235), wk = 0.0028736 k( 66) = ( 0.0000000 0.4184285 0.4979235), wk = 0.0028736 k( 67) = ( 0.0000000 0.4328571 0.4979235), wk = 0.0028736 k( 68) = ( 0.0000000 0.4472857 0.4979235), wk = 0.0028736 k( 69) = ( 0.0000000 0.4617142 0.4979235), wk = 0.0028736 k( 70) = ( 0.0000000 0.4761428 0.4979235), wk = 0.0028736 k( 71) = ( 0.0000000 0.4905714 0.4979235), wk = 0.0028736 k( 72) = ( 0.0000000 0.5049999 0.4979235), wk = 0.0028736 k( 73) = ( 0.0000000 0.5194285 0.4979235), wk = 0.0028736 k( 74) = ( 0.0000000 0.5338571 0.4979235), wk = 0.0028736 k( 75) = ( 0.0000000 0.5482857 0.4979235), wk = 0.0028736 k( 76) = ( 0.0000000 0.5627142 0.4979235), wk = 0.0028736 k( 77) = ( 0.0000000 0.5771428 0.4979235), wk = 0.0028736 k( 78) = ( 0.0000000 0.5915714 0.4979235), wk = 0.0028736 k( 79) = ( 0.0000000 0.6059999 0.4979235), wk = 0.0028736 k( 80) = ( 0.0000000 0.6204285 0.4979235), wk = 0.0028736 k( 81) = ( 0.0000000 0.6348571 0.4979235), wk = 0.0028736 k( 82) = ( 0.0000000 0.6348571 0.4979235), wk = 0.0028736 k( 83) = ( 0.0000000 0.6364863 0.4839913), wk = 0.0028736 k( 84) = ( 0.0000000 0.6381156 0.4700591), wk = 0.0028736 k( 85) = ( 0.0000000 0.6397449 0.4561269), wk = 0.0028736 k( 86) = ( 0.0000000 0.6413741 0.4421947), wk = 0.0028736 k( 87) = ( 0.0000000 0.6430034 0.4282625), wk = 0.0028736 k( 88) = ( 0.0000000 0.6446326 0.4143303), wk = 0.0028736 k( 89) = ( 0.0000000 0.6462619 0.4003981), wk = 0.0028736 k( 90) = ( 0.0000000 0.6478912 0.3864659), wk = 0.0028736 k( 91) = ( 0.0000000 0.6495204 0.3725337), wk = 0.0028736 k( 92) = ( 0.0000000 0.6511497 0.3586015), wk = 0.0028736 k( 93) = ( 0.0000000 0.6527789 0.3446693), wk = 0.0028736 k( 94) = ( 0.0000000 0.6544082 0.3307371), wk = 0.0028736 k( 95) = ( 0.0000000 0.6560375 0.3168049), wk = 0.0028736 k( 96) = ( 0.0000000 0.6576667 0.3028727), wk = 0.0028736 k( 97) = ( 0.0000000 0.6592960 0.2889405), wk = 0.0028736 k( 98) = ( 0.0000000 0.6609253 0.2750083), wk = 0.0028736 k( 99) = ( 0.0000000 0.6625545 0.2610761), wk = 0.0028736 k( 100) = ( 0.0000000 0.6641838 0.2471439), wk = 0.0028736 k( 101) = ( 0.0000000 0.6658131 0.2332117), wk = 0.0028736 k( 102) = ( 0.0000000 0.6674423 0.2192795), wk = 0.0028736 k( 103) = ( 0.0000000 0.6690716 0.2053473), wk = 0.0028736 k( 104) = ( 0.0000000 0.6707008 0.1914151), wk = 0.0028736 k( 105) = ( 0.0000000 0.6723301 0.1774829), wk = 0.0028736 k( 106) = ( 0.0000000 0.6739594 0.1635507), wk = 0.0028736 k( 107) = ( 0.0000000 0.6755886 0.1496185), wk = 0.0028736 k( 108) = ( 0.0000000 0.6772179 0.1356863), wk = 0.0028736 k( 109) = ( 0.0000000 0.6788472 0.1217541), wk = 0.0028736 k( 110) = ( 0.0000000 0.6804764 0.1078219), wk = 0.0028736 k( 111) = ( 0.0000000 0.6821057 0.0938897), wk = 0.0028736 k( 112) = ( 0.0000000 0.6837349 0.0799575), wk = 0.0028736 k( 113) = ( 0.0000000 0.6837349 0.0799575), wk = 0.0028736 k( 114) = ( 0.0142857 0.6837349 0.0799575), wk = 0.0028736 k( 115) = ( 0.0285714 0.6837349 0.0799575), wk = 0.0028736 k( 116) = ( 0.0428571 0.6837349 0.0799575), wk = 0.0028736 k( 117) = ( 0.0571429 0.6837349 0.0799575), wk = 0.0028736 k( 118) = ( 0.0714286 0.6837349 0.0799575), wk = 0.0028736 k( 119) = ( 0.0857143 0.6837349 0.0799575), wk = 0.0028736 k( 120) = ( 0.1000000 0.6837349 0.0799575), wk = 0.0028736 k( 121) = ( 0.1142857 0.6837349 0.0799575), wk = 0.0028736 k( 122) = ( 0.1285714 0.6837349 0.0799575), wk = 0.0028736 k( 123) = ( 0.1428571 0.6837349 0.0799575), wk = 0.0028736 k( 124) = ( 0.1571429 0.6837349 0.0799575), wk = 0.0028736 k( 125) = ( 0.1714286 0.6837349 0.0799575), wk = 0.0028736 k( 126) = ( 0.1857143 0.6837349 0.0799575), wk = 0.0028736 k( 127) = ( 0.2000000 0.6837349 0.0799575), wk = 0.0028736 k( 128) = ( 0.2142857 0.6837349 0.0799575), wk = 0.0028736 k( 129) = ( 0.2285714 0.6837349 0.0799575), wk = 0.0028736 k( 130) = ( 0.2428571 0.6837349 0.0799575), wk = 0.0028736 k( 131) = ( 0.2571429 0.6837349 0.0799575), wk = 0.0028736 k( 132) = ( 0.2714286 0.6837349 0.0799575), wk = 0.0028736 k( 133) = ( 0.2857143 0.6837349 0.0799575), wk = 0.0028736 k( 134) = ( 0.3000000 0.6837349 0.0799575), wk = 0.0028736 k( 135) = ( 0.3142857 0.6837349 0.0799575), wk = 0.0028736 k( 136) = ( 0.3285714 0.6837349 0.0799575), wk = 0.0028736 k( 137) = ( 0.3428571 0.6837349 0.0799575), wk = 0.0028736 k( 138) = ( 0.3571429 0.6837349 0.0799575), wk = 0.0028736 k( 139) = ( 0.3714286 0.6837349 0.0799575), wk = 0.0028736 k( 140) = ( 0.3857143 0.6837349 0.0799575), wk = 0.0028736 k( 141) = ( 0.4000000 0.6837349 0.0799575), wk = 0.0028736 k( 142) = ( 0.4142857 0.6837349 0.0799575), wk = 0.0028736 k( 143) = ( 0.4285714 0.6837349 0.0799575), wk = 0.0028736 k( 144) = ( 0.4428571 0.6837349 0.0799575), wk = 0.0028736 k( 145) = ( 0.4571429 0.6837349 0.0799575), wk = 0.0028736 k( 146) = ( 0.4714286 0.6837349 0.0799575), wk = 0.0028736 k( 147) = ( 0.4857143 0.6837349 0.0799575), wk = 0.0028736 k( 148) = ( 0.5000000 0.6837349 0.0799575), wk = 0.0028736 k( 149) = ( 0.5000000 0.6837349 0.0799575), wk = 0.0028736 k( 150) = ( 0.5000000 0.6853642 0.0660253), wk = 0.0028736 k( 151) = ( 0.5000000 0.6869935 0.0520931), wk = 0.0028736 k( 152) = ( 0.5000000 0.6886227 0.0381609), wk = 0.0028736 k( 153) = ( 0.5000000 0.6902520 0.0242287), wk = 0.0028736 k( 154) = ( 0.5000000 0.6918813 0.0102965), wk = 0.0028736 k( 155) = ( 0.5000000 0.6935105 -0.0036357), wk = 0.0028736 k( 156) = ( 0.5000000 0.6951398 -0.0175679), wk = 0.0028736 k( 157) = ( 0.5000000 0.6967690 -0.0315001), wk = 0.0028736 k( 158) = ( 0.5000000 0.6983983 -0.0454323), wk = 0.0028736 k( 159) = ( 0.5000000 0.7000276 -0.0593645), wk = 0.0028736 k( 160) = ( 0.5000000 0.7016568 -0.0732967), wk = 0.0028736 k( 161) = ( 0.5000000 0.7032861 -0.0872290), wk = 0.0028736 k( 162) = ( 0.5000000 0.7049154 -0.1011611), wk = 0.0028736 k( 163) = ( 0.5000000 0.7065446 -0.1150933), wk = 0.0028736 k( 164) = ( 0.5000000 0.7081739 -0.1290256), wk = 0.0028736 k( 165) = ( 0.5000000 0.7098031 -0.1429578), wk = 0.0028736 k( 166) = ( 0.5000000 0.7114324 -0.1568899), wk = 0.0028736 k( 167) = ( 0.5000000 0.7130617 -0.1708222), wk = 0.0028736 k( 168) = ( 0.5000000 0.7146909 -0.1847544), wk = 0.0028736 k( 169) = ( 0.5000000 0.7163202 -0.1986866), wk = 0.0028736 k( 170) = ( 0.5000000 0.7179494 -0.2126188), wk = 0.0028736 k( 171) = ( 0.5000000 0.7195787 -0.2265510), wk = 0.0028736 k( 172) = ( 0.5000000 0.7212080 -0.2404832), wk = 0.0028736 k( 173) = ( 0.5000000 0.7228372 -0.2544154), wk = 0.0028736 k( 174) = ( 0.5000000 0.7244665 -0.2683476), wk = 0.0028736 k( 175) = ( 0.5000000 0.7260958 -0.2822798), wk = 0.0028736 k( 176) = ( 0.5000000 0.7277250 -0.2962120), wk = 0.0028736 k( 177) = ( 0.5000000 0.7293543 -0.3101442), wk = 0.0028736 k( 178) = ( 0.5000000 0.7309836 -0.3240764), wk = 0.0028736 k( 179) = ( 0.5000000 0.7326128 -0.3380086), wk = 0.0028736 k( 180) = ( 0.5000000 0.7326128 -0.3380086), wk = 0.0028736 k( 181) = ( 0.5000000 0.7256303 -0.3494311), wk = 0.0028736 k( 182) = ( 0.5000000 0.7186477 -0.3608536), wk = 0.0028736 k( 183) = ( 0.5000000 0.7116652 -0.3722761), wk = 0.0028736 k( 184) = ( 0.5000000 0.7046826 -0.3836986), wk = 0.0028736 k( 185) = ( 0.5000000 0.6977000 -0.3951211), wk = 0.0028736 k( 186) = ( 0.5000000 0.6907175 -0.4065435), wk = 0.0028736 k( 187) = ( 0.5000000 0.6837349 -0.4179660), wk = 0.0028736 k( 188) = ( 0.5000000 0.6837349 -0.4179660), wk = 0.0028736 k( 189) = ( 0.4857143 0.6837349 -0.4179660), wk = 0.0028736 k( 190) = ( 0.4714286 0.6837349 -0.4179660), wk = 0.0028736 k( 191) = ( 0.4571429 0.6837349 -0.4179660), wk = 0.0028736 k( 192) = ( 0.4428571 0.6837349 -0.4179660), wk = 0.0028736 k( 193) = ( 0.4285714 0.6837349 -0.4179660), wk = 0.0028736 k( 194) = ( 0.4142857 0.6837349 -0.4179660), wk = 0.0028736 k( 195) = ( 0.4000000 0.6837349 -0.4179660), wk = 0.0028736 k( 196) = ( 0.3857143 0.6837349 -0.4179660), wk = 0.0028736 k( 197) = ( 0.3714286 0.6837349 -0.4179660), wk = 0.0028736 k( 198) = ( 0.3571429 0.6837349 -0.4179660), wk = 0.0028736 k( 199) = ( 0.3428571 0.6837349 -0.4179660), wk = 0.0028736 k( 200) = ( 0.3285714 0.6837349 -0.4179660), wk = 0.0028736 k( 201) = ( 0.3142857 0.6837349 -0.4179660), wk = 0.0028736 k( 202) = ( 0.3000000 0.6837349 -0.4179660), wk = 0.0028736 k( 203) = ( 0.2857143 0.6837349 -0.4179660), wk = 0.0028736 k( 204) = ( 0.2714286 0.6837349 -0.4179660), wk = 0.0028736 k( 205) = ( 0.2571429 0.6837349 -0.4179660), wk = 0.0028736 k( 206) = ( 0.2428571 0.6837349 -0.4179660), wk = 0.0028736 k( 207) = ( 0.2285714 0.6837349 -0.4179660), wk = 0.0028736 k( 208) = ( 0.2142857 0.6837349 -0.4179660), wk = 0.0028736 k( 209) = ( 0.2000000 0.6837349 -0.4179660), wk = 0.0028736 k( 210) = ( 0.1857143 0.6837349 -0.4179660), wk = 0.0028736 k( 211) = ( 0.1714286 0.6837349 -0.4179660), wk = 0.0028736 k( 212) = ( 0.1571429 0.6837349 -0.4179660), wk = 0.0028736 k( 213) = ( 0.1428571 0.6837349 -0.4179660), wk = 0.0028736 k( 214) = ( 0.1285714 0.6837349 -0.4179660), wk = 0.0028736 k( 215) = ( 0.1142857 0.6837349 -0.4179660), wk = 0.0028736 k( 216) = ( 0.1000000 0.6837349 -0.4179660), wk = 0.0028736 k( 217) = ( 0.0857143 0.6837349 -0.4179660), wk = 0.0028736 k( 218) = ( 0.0714286 0.6837349 -0.4179660), wk = 0.0028736 k( 219) = ( 0.0571429 0.6837349 -0.4179660), wk = 0.0028736 k( 220) = ( 0.0428571 0.6837349 -0.4179660), wk = 0.0028736 k( 221) = ( 0.0285714 0.6837349 -0.4179660), wk = 0.0028736 k( 222) = ( 0.0142857 0.6837349 -0.4179660), wk = 0.0028736 k( 223) = ( 0.0000000 0.6837349 -0.4179660), wk = 0.0028736 k( 224) = ( 0.0000000 0.6837349 -0.4179660), wk = 0.0028736 k( 225) = ( 0.0000000 0.6907175 -0.4065435), wk = 0.0028736 k( 226) = ( 0.0000000 0.6977000 -0.3951211), wk = 0.0028736 k( 227) = ( 0.0000000 0.7046826 -0.3836986), wk = 0.0028736 k( 228) = ( 0.0000000 0.7116652 -0.3722761), wk = 0.0028736 k( 229) = ( 0.0000000 0.7186477 -0.3608536), wk = 0.0028736 k( 230) = ( 0.0000000 0.7256303 -0.3494311), wk = 0.0028736 k( 231) = ( 0.0000000 0.7326128 -0.3380086), wk = 0.0028736 k( 232) = ( 0.5000000 0.6348571 0.4979235), wk = 0.0028736 k( 233) = ( 0.5000000 0.6204285 0.4979235), wk = 0.0028736 k( 234) = ( 0.5000000 0.6059999 0.4979235), wk = 0.0028736 k( 235) = ( 0.5000000 0.5915714 0.4979235), wk = 0.0028736 k( 236) = ( 0.5000000 0.5771428 0.4979235), wk = 0.0028736 k( 237) = ( 0.5000000 0.5627142 0.4979235), wk = 0.0028736 k( 238) = ( 0.5000000 0.5482857 0.4979235), wk = 0.0028736 k( 239) = ( 0.5000000 0.5338571 0.4979235), wk = 0.0028736 k( 240) = ( 0.5000000 0.5194285 0.4979235), wk = 0.0028736 k( 241) = ( 0.5000000 0.5049999 0.4979235), wk = 0.0028736 k( 242) = ( 0.5000000 0.4905714 0.4979235), wk = 0.0028736 k( 243) = ( 0.5000000 0.4761428 0.4979235), wk = 0.0028736 k( 244) = ( 0.5000000 0.4617142 0.4979235), wk = 0.0028736 k( 245) = ( 0.5000000 0.4472857 0.4979235), wk = 0.0028736 k( 246) = ( 0.5000000 0.4328571 0.4979235), wk = 0.0028736 k( 247) = ( 0.5000000 0.4184285 0.4979235), wk = 0.0028736 k( 248) = ( 0.5000000 0.4040000 0.4979235), wk = 0.0028736 k( 249) = ( 0.5000000 0.3895714 0.4979235), wk = 0.0028736 k( 250) = ( 0.5000000 0.3751428 0.4979235), wk = 0.0028736 k( 251) = ( 0.5000000 0.3607142 0.4979235), wk = 0.0028736 k( 252) = ( 0.5000000 0.3462857 0.4979235), wk = 0.0028736 k( 253) = ( 0.5000000 0.3318571 0.4979235), wk = 0.0028736 k( 254) = ( 0.5000000 0.3174285 0.4979235), wk = 0.0028736 k( 255) = ( 0.5000000 0.3030000 0.4979235), wk = 0.0028736 k( 256) = ( 0.5000000 0.2885714 0.4979235), wk = 0.0028736 k( 257) = ( 0.5000000 0.2741428 0.4979235), wk = 0.0028736 k( 258) = ( 0.5000000 0.2597143 0.4979235), wk = 0.0028736 k( 259) = ( 0.5000000 0.2452857 0.4979235), wk = 0.0028736 k( 260) = ( 0.5000000 0.2308571 0.4979235), wk = 0.0028736 k( 261) = ( 0.5000000 0.2164285 0.4979235), wk = 0.0028736 k( 262) = ( 0.5000000 0.2020000 0.4979235), wk = 0.0028736 k( 263) = ( 0.5000000 0.1875714 0.4979235), wk = 0.0028736 k( 264) = ( 0.5000000 0.1731428 0.4979235), wk = 0.0028736 k( 265) = ( 0.5000000 0.1587143 0.4979235), wk = 0.0028736 k( 266) = ( 0.5000000 0.1442857 0.4979235), wk = 0.0028736 k( 267) = ( 0.5000000 0.1298571 0.4979235), wk = 0.0028736 k( 268) = ( 0.5000000 0.1154286 0.4979235), wk = 0.0028736 k( 269) = ( 0.5000000 0.1010000 0.4979235), wk = 0.0028736 k( 270) = ( 0.5000000 0.0865714 0.4979235), wk = 0.0028736 k( 271) = ( 0.5000000 0.0721428 0.4979235), wk = 0.0028736 k( 272) = ( 0.5000000 0.0577143 0.4979235), wk = 0.0028736 k( 273) = ( 0.5000000 0.0432857 0.4979235), wk = 0.0028736 k( 274) = ( 0.5000000 0.0288571 0.4979235), wk = 0.0028736 k( 275) = ( 0.5000000 0.0144286 0.4979235), wk = 0.0028736 k( 276) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 k( 277) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 k( 278) = ( 0.5000000 -0.0000000 0.4836971), wk = 0.0028736 k( 279) = ( 0.5000000 -0.0000000 0.4694707), wk = 0.0028736 k( 280) = ( 0.5000000 -0.0000000 0.4552444), wk = 0.0028736 k( 281) = ( 0.5000000 -0.0000000 0.4410180), wk = 0.0028736 k( 282) = ( 0.5000000 -0.0000000 0.4267916), wk = 0.0028736 k( 283) = ( 0.5000000 -0.0000000 0.4125652), wk = 0.0028736 k( 284) = ( 0.5000000 -0.0000000 0.3983388), wk = 0.0028736 k( 285) = ( 0.5000000 -0.0000000 0.3841124), wk = 0.0028736 k( 286) = ( 0.5000000 -0.0000000 0.3698860), wk = 0.0028736 k( 287) = ( 0.5000000 -0.0000000 0.3556597), wk = 0.0028736 k( 288) = ( 0.5000000 -0.0000000 0.3414333), wk = 0.0028736 k( 289) = ( 0.5000000 -0.0000000 0.3272069), wk = 0.0028736 k( 290) = ( 0.5000000 -0.0000000 0.3129805), wk = 0.0028736 k( 291) = ( 0.5000000 -0.0000000 0.2987541), wk = 0.0028736 k( 292) = ( 0.5000000 -0.0000000 0.2845277), wk = 0.0028736 k( 293) = ( 0.5000000 -0.0000000 0.2703013), wk = 0.0028736 k( 294) = ( 0.5000000 -0.0000000 0.2560750), wk = 0.0028736 k( 295) = ( 0.5000000 -0.0000000 0.2418486), wk = 0.0028736 k( 296) = ( 0.5000000 -0.0000000 0.2276222), wk = 0.0028736 k( 297) = ( 0.5000000 -0.0000000 0.2133958), wk = 0.0028736 k( 298) = ( 0.5000000 -0.0000000 0.1991694), wk = 0.0028736 k( 299) = ( 0.5000000 -0.0000000 0.1849430), wk = 0.0028736 k( 300) = ( 0.5000000 -0.0000000 0.1707166), wk = 0.0028736 k( 301) = ( 0.5000000 -0.0000000 0.1564903), wk = 0.0028736 k( 302) = ( 0.5000000 -0.0000000 0.1422639), wk = 0.0028736 k( 303) = ( 0.5000000 -0.0000000 0.1280375), wk = 0.0028736 k( 304) = ( 0.5000000 -0.0000000 0.1138111), wk = 0.0028736 k( 305) = ( 0.5000000 -0.0000000 0.0995847), wk = 0.0028736 k( 306) = ( 0.5000000 -0.0000000 0.0853583), wk = 0.0028736 k( 307) = ( 0.5000000 -0.0000000 0.0711319), wk = 0.0028736 k( 308) = ( 0.5000000 -0.0000000 0.0569055), wk = 0.0028736 k( 309) = ( 0.5000000 -0.0000000 0.0426792), wk = 0.0028736 k( 310) = ( 0.5000000 -0.0000000 0.0284528), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.0142264), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 313) = ( 0.0000000 0.0000000 0.4979235), wk = 0.0028736 k( 314) = ( 0.0142857 -0.0000000 0.4979235), wk = 0.0028736 k( 315) = ( 0.0285714 -0.0000000 0.4979235), wk = 0.0028736 k( 316) = ( 0.0428571 -0.0000000 0.4979235), wk = 0.0028736 k( 317) = ( 0.0571429 -0.0000000 0.4979235), wk = 0.0028736 k( 318) = ( 0.0714286 -0.0000000 0.4979235), wk = 0.0028736 k( 319) = ( 0.0857143 -0.0000000 0.4979235), wk = 0.0028736 k( 320) = ( 0.1000000 -0.0000000 0.4979235), wk = 0.0028736 k( 321) = ( 0.1142857 -0.0000000 0.4979235), wk = 0.0028736 k( 322) = ( 0.1285714 -0.0000000 0.4979235), wk = 0.0028736 k( 323) = ( 0.1428571 -0.0000000 0.4979235), wk = 0.0028736 k( 324) = ( 0.1571429 -0.0000000 0.4979235), wk = 0.0028736 k( 325) = ( 0.1714286 -0.0000000 0.4979235), wk = 0.0028736 k( 326) = ( 0.1857143 -0.0000000 0.4979235), wk = 0.0028736 k( 327) = ( 0.2000000 -0.0000000 0.4979235), wk = 0.0028736 k( 328) = ( 0.2142857 -0.0000000 0.4979235), wk = 0.0028736 k( 329) = ( 0.2285714 -0.0000000 0.4979235), wk = 0.0028736 k( 330) = ( 0.2428571 -0.0000000 0.4979235), wk = 0.0028736 k( 331) = ( 0.2571429 -0.0000000 0.4979235), wk = 0.0028736 k( 332) = ( 0.2714286 -0.0000000 0.4979235), wk = 0.0028736 k( 333) = ( 0.2857143 -0.0000000 0.4979235), wk = 0.0028736 k( 334) = ( 0.3000000 -0.0000000 0.4979235), wk = 0.0028736 k( 335) = ( 0.3142857 -0.0000000 0.4979235), wk = 0.0028736 k( 336) = ( 0.3285714 -0.0000000 0.4979235), wk = 0.0028736 k( 337) = ( 0.3428571 -0.0000000 0.4979235), wk = 0.0028736 k( 338) = ( 0.3571429 -0.0000000 0.4979235), wk = 0.0028736 k( 339) = ( 0.3714286 -0.0000000 0.4979235), wk = 0.0028736 k( 340) = ( 0.3857143 -0.0000000 0.4979235), wk = 0.0028736 k( 341) = ( 0.4000000 -0.0000000 0.4979235), wk = 0.0028736 k( 342) = ( 0.4142857 -0.0000000 0.4979235), wk = 0.0028736 k( 343) = ( 0.4285714 -0.0000000 0.4979235), wk = 0.0028736 k( 344) = ( 0.4428571 -0.0000000 0.4979235), wk = 0.0028736 k( 345) = ( 0.4571429 -0.0000000 0.4979235), wk = 0.0028736 k( 346) = ( 0.4714286 -0.0000000 0.4979235), wk = 0.0028736 k( 347) = ( 0.4857143 -0.0000000 0.4979235), wk = 0.0028736 k( 348) = ( 0.5000000 -0.0000000 0.4979235), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 38) = ( 0.0000000 0.0105513 0.5088569), wk = 0.0028736 k( 39) = ( 0.0000000 0.0211026 0.5177139), wk = 0.0028736 k( 40) = ( 0.0000000 0.0316539 0.5265708), wk = 0.0028736 k( 41) = ( 0.0000000 0.0422052 0.5354278), wk = 0.0028736 k( 42) = ( 0.0000000 0.0527564 0.5442847), wk = 0.0028736 k( 43) = ( 0.0000000 0.0633077 0.5531417), wk = 0.0028736 k( 44) = ( 0.0000000 0.0738590 0.5619986), wk = 0.0028736 k( 45) = ( 0.0000000 0.0844103 0.5708555), wk = 0.0028736 k( 46) = ( 0.0000000 0.0949616 0.5797125), wk = 0.0028736 k( 47) = ( 0.0000000 0.1055129 0.5885694), wk = 0.0028736 k( 48) = ( 0.0000000 0.1160642 0.5974264), wk = 0.0028736 k( 49) = ( 0.0000000 0.1266155 0.6062833), wk = 0.0028736 k( 50) = ( 0.0000000 0.1371668 0.6151403), wk = 0.0028736 k( 51) = ( 0.0000000 0.1477180 0.6239972), wk = 0.0028736 k( 52) = ( 0.0000000 0.1582693 0.6328542), wk = 0.0028736 k( 53) = ( 0.0000000 0.1688206 0.6417111), wk = 0.0028736 k( 54) = ( 0.0000000 0.1793719 0.6505680), wk = 0.0028736 k( 55) = ( 0.0000000 0.1899232 0.6594250), wk = 0.0028736 k( 56) = ( 0.0000000 0.2004745 0.6682819), wk = 0.0028736 k( 57) = ( 0.0000000 0.2110258 0.6771389), wk = 0.0028736 k( 58) = ( 0.0000000 0.2215771 0.6859958), wk = 0.0028736 k( 59) = ( 0.0000000 0.2321283 0.6948528), wk = 0.0028736 k( 60) = ( 0.0000000 0.2426796 0.7037097), wk = 0.0028736 k( 61) = ( 0.0000000 0.2532309 0.7125666), wk = 0.0028736 k( 62) = ( 0.0000000 0.2637822 0.7214236), wk = 0.0028736 k( 63) = ( 0.0000000 0.2743335 0.7302805), wk = 0.0028736 k( 64) = ( 0.0000000 0.2848848 0.7391375), wk = 0.0028736 k( 65) = ( 0.0000000 0.2954361 0.7479944), wk = 0.0028736 k( 66) = ( 0.0000000 0.3059874 0.7568514), wk = 0.0028736 k( 67) = ( 0.0000000 0.3165387 0.7657083), wk = 0.0028736 k( 68) = ( 0.0000000 0.3270900 0.7745652), wk = 0.0028736 k( 69) = ( 0.0000000 0.3376412 0.7834222), wk = 0.0028736 k( 70) = ( 0.0000000 0.3481925 0.7922791), wk = 0.0028736 k( 71) = ( 0.0000000 0.3587438 0.8011361), wk = 0.0028736 k( 72) = ( 0.0000000 0.3692951 0.8099930), wk = 0.0028736 k( 73) = ( 0.0000000 0.3798464 0.8188500), wk = 0.0028736 k( 74) = ( 0.0000000 0.3903977 0.8277069), wk = 0.0028736 k( 75) = ( 0.0000000 0.4009490 0.8365638), wk = 0.0028736 k( 76) = ( 0.0000000 0.4115003 0.8454208), wk = 0.0028736 k( 77) = ( 0.0000000 0.4220515 0.8542777), wk = 0.0028736 k( 78) = ( 0.0000000 0.4326028 0.8631347), wk = 0.0028736 k( 79) = ( 0.0000000 0.4431541 0.8719916), wk = 0.0028736 k( 80) = ( 0.0000000 0.4537054 0.8808486), wk = 0.0028736 k( 81) = ( 0.0000000 0.4642567 0.8897055), wk = 0.0028736 k( 82) = ( 0.0000000 0.4642567 0.8897055), wk = 0.0028736 k( 83) = ( 0.0000000 0.4654481 0.8767153), wk = 0.0028736 k( 84) = ( 0.0000000 0.4666396 0.8637252), wk = 0.0028736 k( 85) = ( 0.0000000 0.4678310 0.8507350), wk = 0.0028736 k( 86) = ( 0.0000000 0.4690225 0.8377448), wk = 0.0028736 k( 87) = ( 0.0000000 0.4702139 0.8247546), wk = 0.0028736 k( 88) = ( 0.0000000 0.4714054 0.8117644), wk = 0.0028736 k( 89) = ( 0.0000000 0.4725968 0.7987742), wk = 0.0028736 k( 90) = ( 0.0000000 0.4737883 0.7857840), wk = 0.0028736 k( 91) = ( 0.0000000 0.4749797 0.7727939), wk = 0.0028736 k( 92) = ( 0.0000000 0.4761711 0.7598037), wk = 0.0028736 k( 93) = ( 0.0000000 0.4773626 0.7468135), wk = 0.0028736 k( 94) = ( 0.0000000 0.4785540 0.7338233), wk = 0.0028736 k( 95) = ( 0.0000000 0.4797455 0.7208331), wk = 0.0028736 k( 96) = ( 0.0000000 0.4809369 0.7078429), wk = 0.0028736 k( 97) = ( 0.0000000 0.4821283 0.6948528), wk = 0.0028736 k( 98) = ( 0.0000000 0.4833198 0.6818626), wk = 0.0028736 k( 99) = ( 0.0000000 0.4845112 0.6688724), wk = 0.0028736 k( 100) = ( 0.0000000 0.4857027 0.6558822), wk = 0.0028736 k( 101) = ( 0.0000000 0.4868941 0.6428920), wk = 0.0028736 k( 102) = ( 0.0000000 0.4880856 0.6299018), wk = 0.0028736 k( 103) = ( 0.0000000 0.4892770 0.6169117), wk = 0.0028736 k( 104) = ( 0.0000000 0.4904685 0.6039215), wk = 0.0028736 k( 105) = ( 0.0000000 0.4916599 0.5909313), wk = 0.0028736 k( 106) = ( 0.0000000 0.4928513 0.5779411), wk = 0.0028736 k( 107) = ( 0.0000000 0.4940428 0.5649509), wk = 0.0028736 k( 108) = ( 0.0000000 0.4952342 0.5519607), wk = 0.0028736 k( 109) = ( 0.0000000 0.4964257 0.5389706), wk = 0.0028736 k( 110) = ( 0.0000000 0.4976171 0.5259804), wk = 0.0028736 k( 111) = ( 0.0000000 0.4988086 0.5129902), wk = 0.0028736 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 114) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0028736 k( 115) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0028736 k( 116) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0028736 k( 117) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0028736 k( 118) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028736 k( 119) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0028736 k( 120) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028736 k( 121) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0028736 k( 122) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0028736 k( 123) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028736 k( 124) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0028736 k( 125) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0028736 k( 126) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0028736 k( 127) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028736 k( 128) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028736 k( 129) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0028736 k( 130) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0028736 k( 131) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0028736 k( 132) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0028736 k( 133) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028736 k( 134) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028736 k( 135) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0028736 k( 136) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0028736 k( 137) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0028736 k( 138) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028736 k( 139) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0028736 k( 140) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0028736 k( 141) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028736 k( 142) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0028736 k( 143) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028736 k( 144) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0028736 k( 145) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0028736 k( 146) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0028736 k( 147) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0028736 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 150) = ( 0.5000000 0.5011914 0.4870098), wk = 0.0028736 k( 151) = ( 0.5000000 0.5023829 0.4740196), wk = 0.0028736 k( 152) = ( 0.5000000 0.5035743 0.4610295), wk = 0.0028736 k( 153) = ( 0.5000000 0.5047658 0.4480393), wk = 0.0028736 k( 154) = ( 0.5000000 0.5059572 0.4350491), wk = 0.0028736 k( 155) = ( 0.5000000 0.5071487 0.4220589), wk = 0.0028736 k( 156) = ( 0.5000000 0.5083401 0.4090687), wk = 0.0028736 k( 157) = ( 0.5000000 0.5095315 0.3960785), wk = 0.0028736 k( 158) = ( 0.5000000 0.5107230 0.3830883), wk = 0.0028736 k( 159) = ( 0.5000000 0.5119144 0.3700982), wk = 0.0028736 k( 160) = ( 0.5000000 0.5131059 0.3571080), wk = 0.0028736 k( 161) = ( 0.5000000 0.5142973 0.3441178), wk = 0.0028736 k( 162) = ( 0.5000000 0.5154888 0.3311276), wk = 0.0028736 k( 163) = ( 0.5000000 0.5166802 0.3181374), wk = 0.0028736 k( 164) = ( 0.5000000 0.5178717 0.3051472), wk = 0.0028736 k( 165) = ( 0.5000000 0.5190631 0.2921571), wk = 0.0028736 k( 166) = ( 0.5000000 0.5202545 0.2791669), wk = 0.0028736 k( 167) = ( 0.5000000 0.5214460 0.2661767), wk = 0.0028736 k( 168) = ( 0.5000000 0.5226374 0.2531865), wk = 0.0028736 k( 169) = ( 0.5000000 0.5238289 0.2401963), wk = 0.0028736 k( 170) = ( 0.5000000 0.5250203 0.2272061), wk = 0.0028736 k( 171) = ( 0.5000000 0.5262117 0.2142160), wk = 0.0028736 k( 172) = ( 0.5000000 0.5274032 0.2012258), wk = 0.0028736 k( 173) = ( 0.5000000 0.5285946 0.1882356), wk = 0.0028736 k( 174) = ( 0.5000000 0.5297861 0.1752454), wk = 0.0028736 k( 175) = ( 0.5000000 0.5309775 0.1622552), wk = 0.0028736 k( 176) = ( 0.5000000 0.5321690 0.1492650), wk = 0.0028736 k( 177) = ( 0.5000000 0.5333604 0.1362748), wk = 0.0028736 k( 178) = ( 0.5000000 0.5345519 0.1232847), wk = 0.0028736 k( 179) = ( 0.5000000 0.5357433 0.1102945), wk = 0.0028736 k( 180) = ( 0.5000000 0.5357433 0.1102945), wk = 0.0028736 k( 181) = ( 0.5000000 0.5306371 0.0945381), wk = 0.0028736 k( 182) = ( 0.5000000 0.5255309 0.0787818), wk = 0.0028736 k( 183) = ( 0.5000000 0.5204247 0.0630254), wk = 0.0028736 k( 184) = ( 0.5000000 0.5153186 0.0472691), wk = 0.0028736 k( 185) = ( 0.5000000 0.5102124 0.0315127), wk = 0.0028736 k( 186) = ( 0.5000000 0.5051062 0.0157564), wk = 0.0028736 k( 187) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 189) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0028736 k( 190) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0028736 k( 191) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0028736 k( 192) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0028736 k( 193) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0028736 k( 194) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0028736 k( 195) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028736 k( 196) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0028736 k( 197) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0028736 k( 198) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0028736 k( 199) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0028736 k( 200) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0028736 k( 201) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0028736 k( 202) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0028736 k( 203) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0028736 k( 204) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0028736 k( 205) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0028736 k( 206) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0028736 k( 207) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0028736 k( 208) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0028736 k( 209) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028736 k( 210) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0028736 k( 211) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0028736 k( 212) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0028736 k( 213) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0028736 k( 214) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0028736 k( 215) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0028736 k( 216) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028736 k( 217) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0028736 k( 218) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0028736 k( 219) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0028736 k( 220) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0028736 k( 221) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0028736 k( 222) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0028736 k( 223) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 225) = ( 0.0000000 0.5051062 0.0157564), wk = 0.0028736 k( 226) = ( 0.0000000 0.5102124 0.0315127), wk = 0.0028736 k( 227) = ( 0.0000000 0.5153186 0.0472691), wk = 0.0028736 k( 228) = ( 0.0000000 0.5204247 0.0630254), wk = 0.0028736 k( 229) = ( 0.0000000 0.5255309 0.0787818), wk = 0.0028736 k( 230) = ( 0.0000000 0.5306371 0.0945381), wk = 0.0028736 k( 231) = ( 0.0000000 0.5357433 0.1102945), wk = 0.0028736 k( 232) = ( 0.5000000 0.4642567 0.8897055), wk = 0.0028736 k( 233) = ( 0.5000000 0.4537054 0.8808486), wk = 0.0028736 k( 234) = ( 0.5000000 0.4431541 0.8719916), wk = 0.0028736 k( 235) = ( 0.5000000 0.4326028 0.8631347), wk = 0.0028736 k( 236) = ( 0.5000000 0.4220515 0.8542777), wk = 0.0028736 k( 237) = ( 0.5000000 0.4115003 0.8454208), wk = 0.0028736 k( 238) = ( 0.5000000 0.4009490 0.8365638), wk = 0.0028736 k( 239) = ( 0.5000000 0.3903977 0.8277069), wk = 0.0028736 k( 240) = ( 0.5000000 0.3798464 0.8188500), wk = 0.0028736 k( 241) = ( 0.5000000 0.3692951 0.8099930), wk = 0.0028736 k( 242) = ( 0.5000000 0.3587438 0.8011361), wk = 0.0028736 k( 243) = ( 0.5000000 0.3481925 0.7922791), wk = 0.0028736 k( 244) = ( 0.5000000 0.3376412 0.7834222), wk = 0.0028736 k( 245) = ( 0.5000000 0.3270900 0.7745652), wk = 0.0028736 k( 246) = ( 0.5000000 0.3165387 0.7657083), wk = 0.0028736 k( 247) = ( 0.5000000 0.3059874 0.7568514), wk = 0.0028736 k( 248) = ( 0.5000000 0.2954361 0.7479944), wk = 0.0028736 k( 249) = ( 0.5000000 0.2848848 0.7391375), wk = 0.0028736 k( 250) = ( 0.5000000 0.2743335 0.7302805), wk = 0.0028736 k( 251) = ( 0.5000000 0.2637822 0.7214236), wk = 0.0028736 k( 252) = ( 0.5000000 0.2532309 0.7125666), wk = 0.0028736 k( 253) = ( 0.5000000 0.2426796 0.7037097), wk = 0.0028736 k( 254) = ( 0.5000000 0.2321283 0.6948528), wk = 0.0028736 k( 255) = ( 0.5000000 0.2215771 0.6859958), wk = 0.0028736 k( 256) = ( 0.5000000 0.2110258 0.6771389), wk = 0.0028736 k( 257) = ( 0.5000000 0.2004745 0.6682819), wk = 0.0028736 k( 258) = ( 0.5000000 0.1899232 0.6594250), wk = 0.0028736 k( 259) = ( 0.5000000 0.1793719 0.6505680), wk = 0.0028736 k( 260) = ( 0.5000000 0.1688206 0.6417111), wk = 0.0028736 k( 261) = ( 0.5000000 0.1582693 0.6328541), wk = 0.0028736 k( 262) = ( 0.5000000 0.1477180 0.6239972), wk = 0.0028736 k( 263) = ( 0.5000000 0.1371668 0.6151403), wk = 0.0028736 k( 264) = ( 0.5000000 0.1266155 0.6062833), wk = 0.0028736 k( 265) = ( 0.5000000 0.1160642 0.5974264), wk = 0.0028736 k( 266) = ( 0.5000000 0.1055129 0.5885694), wk = 0.0028736 k( 267) = ( 0.5000000 0.0949616 0.5797125), wk = 0.0028736 k( 268) = ( 0.5000000 0.0844103 0.5708555), wk = 0.0028736 k( 269) = ( 0.5000000 0.0738590 0.5619986), wk = 0.0028736 k( 270) = ( 0.5000000 0.0633077 0.5531417), wk = 0.0028736 k( 271) = ( 0.5000000 0.0527564 0.5442847), wk = 0.0028736 k( 272) = ( 0.5000000 0.0422052 0.5354278), wk = 0.0028736 k( 273) = ( 0.5000000 0.0316539 0.5265708), wk = 0.0028736 k( 274) = ( 0.5000000 0.0211026 0.5177139), wk = 0.0028736 k( 275) = ( 0.5000000 0.0105513 0.5088569), wk = 0.0028736 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 277) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 278) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0028736 k( 279) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0028736 k( 280) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0028736 k( 281) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0028736 k( 282) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0028736 k( 283) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0028736 k( 284) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028736 k( 285) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0028736 k( 286) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0028736 k( 287) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0028736 k( 288) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0028736 k( 289) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0028736 k( 290) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0028736 k( 291) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028736 k( 292) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0028736 k( 293) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0028736 k( 294) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0028736 k( 295) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0028736 k( 296) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 313) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 314) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0028736 k( 315) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0028736 k( 316) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0028736 k( 317) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0028736 k( 318) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028736 k( 319) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0028736 k( 320) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0028736 k( 321) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0028736 k( 322) = ( 0.1285714 0.0000000 0.5000000), wk = 0.0028736 k( 323) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028736 k( 324) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0028736 k( 325) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0028736 k( 326) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0028736 k( 327) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0028736 k( 328) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028736 k( 329) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0028736 k( 330) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0028736 k( 331) = ( 0.2571429 0.0000000 0.5000000), wk = 0.0028736 k( 332) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0028736 k( 333) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028736 k( 334) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0028736 k( 335) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0028736 k( 336) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0028736 k( 337) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0028736 k( 338) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0028736 k( 339) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0028736 k( 340) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0028736 k( 341) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0028736 k( 342) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0028736 k( 343) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0028736 k( 344) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0028736 k( 345) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0028736 k( 346) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0028736 k( 347) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0028736 k( 348) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 Dense grid: 44237 G-vectors FFT dimensions: ( 50, 36, 60) Smooth grid: 22151 G-vectors FFT dimensions: ( 40, 30, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 158, 60) NL pseudopotentials 0.15 Mb ( 79, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1230) G-vector shells 0.01 Mb ( 1186) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 158, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.23 Mb ( 124, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuF2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 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 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.5 secs Computing kpt #: 16 total cpu time spent up to now is 6.8 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.2 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.9 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 10.0 secs Computing kpt #: 26 total cpu time spent up to now is 10.3 secs Computing kpt #: 27 total cpu time spent up to now is 10.7 secs Computing kpt #: 28 total cpu time spent up to now is 11.0 secs Computing kpt #: 29 total cpu time spent up to now is 11.4 secs Computing kpt #: 30 total cpu time spent up to now is 11.7 secs Computing kpt #: 31 total cpu time spent up to now is 12.1 secs Computing kpt #: 32 total cpu time spent up to now is 12.4 secs Computing kpt #: 33 total cpu time spent up to now is 12.8 secs Computing kpt #: 34 total cpu time spent up to now is 13.1 secs Computing kpt #: 35 total cpu time spent up to now is 13.5 secs Computing kpt #: 36 total cpu time spent up to now is 13.9 secs Computing kpt #: 37 total cpu time spent up to now is 14.2 secs Computing kpt #: 38 total cpu time spent up to now is 14.5 secs Computing kpt #: 39 total cpu time spent up to now is 14.9 secs Computing kpt #: 40 total cpu time spent up to now is 15.2 secs Computing kpt #: 41 total cpu time spent up to now is 15.6 secs Computing kpt #: 42 total cpu time spent up to now is 16.0 secs Computing kpt #: 43 total cpu time spent up to now is 16.3 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.0 secs Computing kpt #: 46 total cpu time spent up to now is 17.4 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 18.1 secs Computing kpt #: 49 total cpu time spent up to now is 18.4 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.1 secs Computing kpt #: 52 total cpu time spent up to now is 19.5 secs Computing kpt #: 53 total cpu time spent up to now is 19.8 secs Computing kpt #: 54 total cpu time spent up to now is 20.2 secs Computing kpt #: 55 total cpu time spent up to now is 20.6 secs Computing kpt #: 56 total cpu time spent up to now is 20.9 secs Computing kpt #: 57 total cpu time spent up to now is 21.3 secs Computing kpt #: 58 total cpu time spent up to now is 21.6 secs Computing kpt #: 59 total cpu time spent up to now is 22.0 secs Computing kpt #: 60 total cpu time spent up to now is 22.3 secs Computing kpt #: 61 total cpu time spent up to now is 22.6 secs Computing kpt #: 62 total cpu time spent up to now is 23.0 secs Computing kpt #: 63 total cpu time spent up to now is 23.3 secs Computing kpt #: 64 total cpu time spent up to now is 23.7 secs Computing kpt #: 65 total cpu time spent up to now is 24.1 secs Computing kpt #: 66 total cpu time spent up to now is 24.5 secs Computing kpt #: 67 total cpu time spent up to now is 24.8 secs Computing kpt #: 68 total cpu time spent up to now is 25.2 secs Computing kpt #: 69 total cpu time spent up to now is 25.5 secs Computing kpt #: 70 total cpu time spent up to now is 25.8 secs Computing kpt #: 71 total cpu time spent up to now is 26.2 secs Computing kpt #: 72 total cpu time spent up to now is 26.5 secs Computing kpt #: 73 total cpu time spent up to now is 26.8 secs Computing kpt #: 74 total cpu time spent up to now is 27.2 secs Computing kpt #: 75 total cpu time spent up to now is 27.5 secs Computing kpt #: 76 total cpu time spent up to now is 27.8 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.5 secs Computing kpt #: 79 total cpu time spent up to now is 28.9 secs Computing kpt #: 80 total cpu time spent up to now is 29.2 secs Computing kpt #: 81 total cpu time spent up to now is 29.5 secs Computing kpt #: 82 total cpu time spent up to now is 29.9 secs Computing kpt #: 83 total cpu time spent up to now is 30.2 secs Computing kpt #: 84 total cpu time spent up to now is 30.6 secs Computing kpt #: 85 total cpu time spent up to now is 30.9 secs Computing kpt #: 86 total cpu time spent up to now is 31.2 secs Computing kpt #: 87 total cpu time spent up to now is 31.5 secs Computing kpt #: 88 total cpu time spent up to now is 31.9 secs Computing kpt #: 89 total cpu time spent up to now is 32.2 secs Computing kpt #: 90 total cpu time spent up to now is 32.5 secs Computing kpt #: 91 total cpu time spent up to now is 32.9 secs Computing kpt #: 92 total cpu time spent up to now is 33.2 secs Computing kpt #: 93 total cpu time spent up to now is 33.5 secs Computing kpt #: 94 total cpu time spent up to now is 33.9 secs Computing kpt #: 95 total cpu time spent up to now is 34.2 secs Computing kpt #: 96 total cpu time spent up to now is 34.6 secs Computing kpt #: 97 total cpu time spent up to now is 34.9 secs Computing kpt #: 98 total cpu time spent up to now is 35.3 secs Computing kpt #: 99 total cpu time spent up to now is 35.7 secs Computing kpt #: 100 total cpu time spent up to now is 36.1 secs Computing kpt #: 101 total cpu time spent up to now is 36.5 secs Computing kpt #: 102 total cpu time spent up to now is 36.8 secs Computing kpt #: 103 total cpu time spent up to now is 37.2 secs Computing kpt #: 104 total cpu time spent up to now is 37.6 secs Computing kpt #: 105 total cpu time spent up to now is 37.9 secs Computing kpt #: 106 total cpu time spent up to now is 38.3 secs Computing kpt #: 107 total cpu time spent up to now is 38.6 secs Computing kpt #: 108 total cpu time spent up to now is 39.0 secs Computing kpt #: 109 total cpu time spent up to now is 39.4 secs Computing kpt #: 110 total cpu time spent up to now is 39.7 secs Computing kpt #: 111 total cpu time spent up to now is 40.1 secs Computing kpt #: 112 total cpu time spent up to now is 40.5 secs Computing kpt #: 113 total cpu time spent up to now is 40.8 secs Computing kpt #: 114 total cpu time spent up to now is 41.2 secs Computing kpt #: 115 total cpu time spent up to now is 41.5 secs Computing kpt #: 116 total cpu time spent up to now is 41.9 secs Computing kpt #: 117 total cpu time spent up to now is 42.2 secs Computing kpt #: 118 total cpu time spent up to now is 42.6 secs Computing kpt #: 119 total cpu time spent up to now is 42.9 secs Computing kpt #: 120 total cpu time spent up to now is 43.3 secs Computing kpt #: 121 total cpu time spent up to now is 43.6 secs Computing kpt #: 122 total cpu time spent up to now is 44.0 secs Computing kpt #: 123 total cpu time spent up to now is 44.3 secs Computing kpt #: 124 total cpu time spent up to now is 44.7 secs Computing kpt #: 125 total cpu time spent up to now is 45.0 secs Computing kpt #: 126 total cpu time spent up to now is 45.4 secs Computing kpt #: 127 total cpu time spent up to now is 45.7 secs Computing kpt #: 128 total cpu time spent up to now is 46.1 secs Computing kpt #: 129 total cpu time spent up to now is 46.4 secs Computing kpt #: 130 total cpu time spent up to now is 46.7 secs Computing kpt #: 131 total cpu time spent up to now is 47.1 secs Computing kpt #: 132 total cpu time spent up to now is 47.4 secs Computing kpt #: 133 total cpu time spent up to now is 47.7 secs Computing kpt #: 134 total cpu time spent up to now is 48.0 secs Computing kpt #: 135 total cpu time spent up to now is 48.4 secs Computing kpt #: 136 total cpu time spent up to now is 48.7 secs Computing kpt #: 137 total cpu time spent up to now is 49.0 secs Computing kpt #: 138 total cpu time spent up to now is 49.3 secs Computing kpt #: 139 total cpu time spent up to now is 49.7 secs Computing kpt #: 140 total cpu time spent up to now is 50.0 secs Computing kpt #: 141 total cpu time spent up to now is 50.3 secs Computing kpt #: 142 total cpu time spent up to now is 50.6 secs Computing kpt #: 143 total cpu time spent up to now is 50.9 secs Computing kpt #: 144 total cpu time spent up to now is 51.2 secs Computing kpt #: 145 total cpu time spent up to now is 51.5 secs Computing kpt #: 146 total cpu time spent up to now is 51.9 secs Computing kpt #: 147 total cpu time spent up to now is 52.2 secs Computing kpt #: 148 total cpu time spent up to now is 52.5 secs Computing kpt #: 149 total cpu time spent up to now is 52.8 secs Computing kpt #: 150 total cpu time spent up to now is 53.1 secs Computing kpt #: 151 total cpu time spent up to now is 53.5 secs Computing kpt #: 152 total cpu time spent up to now is 53.8 secs Computing kpt #: 153 total cpu time spent up to now is 54.1 secs Computing kpt #: 154 total cpu time spent up to now is 54.5 secs Computing kpt #: 155 total cpu time spent up to now is 54.8 secs Computing kpt #: 156 total cpu time spent up to now is 55.1 secs Computing kpt #: 157 total cpu time spent up to now is 55.5 secs Computing kpt #: 158 total cpu time spent up to now is 55.8 secs Computing kpt #: 159 total cpu time spent up to now is 56.1 secs Computing kpt #: 160 total cpu time spent up to now is 56.4 secs Computing kpt #: 161 total cpu time spent up to now is 56.8 secs Computing kpt #: 162 total cpu time spent up to now is 57.1 secs Computing kpt #: 163 total cpu time spent up to now is 57.4 secs Computing kpt #: 164 total cpu time spent up to now is 57.8 secs Computing kpt #: 165 total cpu time spent up to now is 58.1 secs Computing kpt #: 166 total cpu time spent up to now is 58.4 secs Computing kpt #: 167 total cpu time spent up to now is 58.8 secs Computing kpt #: 168 total cpu time spent up to now is 59.1 secs Computing kpt #: 169 total cpu time spent up to now is 59.4 secs Computing kpt #: 170 total cpu time spent up to now is 59.8 secs Computing kpt #: 171 total cpu time spent up to now is 60.1 secs Computing kpt #: 172 total cpu time spent up to now is 60.4 secs Computing kpt #: 173 total cpu time spent up to now is 60.8 secs Computing kpt #: 174 total cpu time spent up to now is 61.1 secs Computing kpt #: 175 total cpu time spent up to now is 61.4 secs Computing kpt #: 176 total cpu time spent up to now is 61.8 secs Computing kpt #: 177 total cpu time spent up to now is 62.1 secs Computing kpt #: 178 total cpu time spent up to now is 62.5 secs Computing kpt #: 179 total cpu time spent up to now is 62.8 secs Computing kpt #: 180 total cpu time spent up to now is 63.1 secs Computing kpt #: 181 total cpu time spent up to now is 63.5 secs Computing kpt #: 182 total cpu time spent up to now is 63.8 secs Computing kpt #: 183 total cpu time spent up to now is 64.2 secs Computing kpt #: 184 total cpu time spent up to now is 64.5 secs Computing kpt #: 185 total cpu time spent up to now is 64.9 secs Computing kpt #: 186 total cpu time spent up to now is 65.2 secs Computing kpt #: 187 total cpu time spent up to now is 65.5 secs Computing kpt #: 188 total cpu time spent up to now is 65.9 secs Computing kpt #: 189 total cpu time spent up to now is 66.2 secs Computing kpt #: 190 total cpu time spent up to now is 66.6 secs Computing kpt #: 191 total cpu time spent up to now is 66.9 secs Computing kpt #: 192 total cpu time spent up to now is 67.3 secs Computing kpt #: 193 total cpu time spent up to now is 67.6 secs Computing kpt #: 194 total cpu time spent up to now is 68.0 secs Computing kpt #: 195 total cpu time spent up to now is 68.3 secs Computing kpt #: 196 total cpu time spent up to now is 68.6 secs Computing kpt #: 197 total cpu time spent up to now is 69.0 secs Computing kpt #: 198 total cpu time spent up to now is 69.3 secs Computing kpt #: 199 total cpu time spent up to now is 69.7 secs Computing kpt #: 200 total cpu time spent up to now is 70.0 secs Computing kpt #: 201 total cpu time spent up to now is 70.3 secs Computing kpt #: 202 total cpu time spent up to now is 70.7 secs Computing kpt #: 203 total cpu time spent up to now is 71.0 secs Computing kpt #: 204 total cpu time spent up to now is 71.3 secs Computing kpt #: 205 total cpu time spent up to now is 71.7 secs Computing kpt #: 206 total cpu time spent up to now is 72.0 secs Computing kpt #: 207 total cpu time spent up to now is 72.3 secs Computing kpt #: 208 total cpu time spent up to now is 72.7 secs Computing kpt #: 209 total cpu time spent up to now is 73.0 secs Computing kpt #: 210 total cpu time spent up to now is 73.3 secs Computing kpt #: 211 total cpu time spent up to now is 73.7 secs Computing kpt #: 212 total cpu time spent up to now is 74.0 secs Computing kpt #: 213 total cpu time spent up to now is 74.3 secs Computing kpt #: 214 total cpu time spent up to now is 74.7 secs Computing kpt #: 215 total cpu time spent up to now is 75.0 secs Computing kpt #: 216 total cpu time spent up to now is 75.3 secs Computing kpt #: 217 total cpu time spent up to now is 75.7 secs Computing kpt #: 218 total cpu time spent up to now is 76.0 secs Computing kpt #: 219 total cpu time spent up to now is 76.4 secs Computing kpt #: 220 total cpu time spent up to now is 76.7 secs Computing kpt #: 221 total cpu time spent up to now is 77.0 secs Computing kpt #: 222 total cpu time spent up to now is 77.4 secs Computing kpt #: 223 total cpu time spent up to now is 77.7 secs Computing kpt #: 224 total cpu time spent up to now is 78.0 secs Computing kpt #: 225 total cpu time spent up to now is 78.4 secs Computing kpt #: 226 total cpu time spent up to now is 78.7 secs Computing kpt #: 227 total cpu time spent up to now is 79.1 secs Computing kpt #: 228 total cpu time spent up to now is 79.4 secs Computing kpt #: 229 total cpu time spent up to now is 79.7 secs Computing kpt #: 230 total cpu time spent up to now is 80.1 secs Computing kpt #: 231 total cpu time spent up to now is 80.4 secs Computing kpt #: 232 total cpu time spent up to now is 80.7 secs Computing kpt #: 233 total cpu time spent up to now is 81.1 secs Computing kpt #: 234 total cpu time spent up to now is 81.4 secs Computing kpt #: 235 total cpu time spent up to now is 81.8 secs Computing kpt #: 236 total cpu time spent up to now is 82.1 secs Computing kpt #: 237 total cpu time spent up to now is 82.4 secs Computing kpt #: 238 total cpu time spent up to now is 82.8 secs Computing kpt #: 239 total cpu time spent up to now is 83.1 secs Computing kpt #: 240 total cpu time spent up to now is 83.4 secs Computing kpt #: 241 total cpu time spent up to now is 83.8 secs Computing kpt #: 242 total cpu time spent up to now is 84.1 secs Computing kpt #: 243 total cpu time spent up to now is 84.4 secs Computing kpt #: 244 total cpu time spent up to now is 84.7 secs Computing kpt #: 245 total cpu time spent up to now is 85.0 secs Computing kpt #: 246 total cpu time spent up to now is 85.4 secs Computing kpt #: 247 total cpu time spent up to now is 85.7 secs Computing kpt #: 248 total cpu time spent up to now is 86.0 secs Computing kpt #: 249 total cpu time spent up to now is 86.3 secs Computing kpt #: 250 total cpu time spent up to now is 86.6 secs Computing kpt #: 251 total cpu time spent up to now is 86.9 secs Computing kpt #: 252 total cpu time spent up to now is 87.2 secs Computing kpt #: 253 total cpu time spent up to now is 87.5 secs Computing kpt #: 254 total cpu time spent up to now is 87.8 secs Computing kpt #: 255 total cpu time spent up to now is 88.1 secs Computing kpt #: 256 total cpu time spent up to now is 88.4 secs Computing kpt #: 257 total cpu time spent up to now is 88.7 secs Computing kpt #: 258 total cpu time spent up to now is 89.1 secs Computing kpt #: 259 total cpu time spent up to now is 89.4 secs Computing kpt #: 260 total cpu time spent up to now is 89.7 secs Computing kpt #: 261 total cpu time spent up to now is 90.0 secs Computing kpt #: 262 total cpu time spent up to now is 90.3 secs Computing kpt #: 263 total cpu time spent up to now is 90.7 secs Computing kpt #: 264 total cpu time spent up to now is 91.0 secs Computing kpt #: 265 total cpu time spent up to now is 91.3 secs Computing kpt #: 266 total cpu time spent up to now is 91.6 secs Computing kpt #: 267 total cpu time spent up to now is 91.9 secs Computing kpt #: 268 total cpu time spent up to now is 92.2 secs Computing kpt #: 269 total cpu time spent up to now is 92.5 secs Computing kpt #: 270 total cpu time spent up to now is 92.8 secs Computing kpt #: 271 total cpu time spent up to now is 93.1 secs Computing kpt #: 272 total cpu time spent up to now is 93.4 secs Computing kpt #: 273 total cpu time spent up to now is 93.7 secs Computing kpt #: 274 total cpu time spent up to now is 94.0 secs Computing kpt #: 275 total cpu time spent up to now is 94.3 secs Computing kpt #: 276 total cpu time spent up to now is 94.6 secs Computing kpt #: 277 total cpu time spent up to now is 94.9 secs Computing kpt #: 278 total cpu time spent up to now is 95.2 secs Computing kpt #: 279 total cpu time spent up to now is 95.5 secs Computing kpt #: 280 total cpu time spent up to now is 95.8 secs Computing kpt #: 281 total cpu time spent up to now is 96.1 secs Computing kpt #: 282 total cpu time spent up to now is 96.4 secs Computing kpt #: 283 total cpu time spent up to now is 96.7 secs Computing kpt #: 284 total cpu time spent up to now is 97.0 secs Computing kpt #: 285 total cpu time spent up to now is 97.4 secs Computing kpt #: 286 total cpu time spent up to now is 97.7 secs Computing kpt #: 287 total cpu time spent up to now is 98.0 secs Computing kpt #: 288 total cpu time spent up to now is 98.3 secs Computing kpt #: 289 total cpu time spent up to now is 98.6 secs Computing kpt #: 290 total cpu time spent up to now is 98.9 secs Computing kpt #: 291 total cpu time spent up to now is 99.3 secs Computing kpt #: 292 total cpu time spent up to now is 99.6 secs Computing kpt #: 293 total cpu time spent up to now is 99.9 secs Computing kpt #: 294 total cpu time spent up to now is 100.2 secs Computing kpt #: 295 total cpu time spent up to now is 100.6 secs Computing kpt #: 296 total cpu time spent up to now is 100.9 secs Computing kpt #: 297 total cpu time spent up to now is 101.2 secs Computing kpt #: 298 total cpu time spent up to now is 101.6 secs Computing kpt #: 299 total cpu time spent up to now is 101.9 secs Computing kpt #: 300 total cpu time spent up to now is 102.2 secs Computing kpt #: 301 total cpu time spent up to now is 102.6 secs Computing kpt #: 302 total cpu time spent up to now is 102.9 secs Computing kpt #: 303 total cpu time spent up to now is 103.3 secs Computing kpt #: 304 total cpu time spent up to now is 103.6 secs Computing kpt #: 305 total cpu time spent up to now is 103.9 secs Computing kpt #: 306 total cpu time spent up to now is 104.3 secs Computing kpt #: 307 total cpu time spent up to now is 104.6 secs Computing kpt #: 308 total cpu time spent up to now is 105.0 secs Computing kpt #: 309 total cpu time spent up to now is 105.3 secs Computing kpt #: 310 total cpu time spent up to now is 105.7 secs Computing kpt #: 311 total cpu time spent up to now is 106.0 secs Computing kpt #: 312 total cpu time spent up to now is 106.4 secs Computing kpt #: 313 total cpu time spent up to now is 106.7 secs Computing kpt #: 314 total cpu time spent up to now is 107.1 secs Computing kpt #: 315 total cpu time spent up to now is 107.4 secs Computing kpt #: 316 total cpu time spent up to now is 107.8 secs Computing kpt #: 317 total cpu time spent up to now is 108.1 secs Computing kpt #: 318 total cpu time spent up to now is 108.5 secs Computing kpt #: 319 total cpu time spent up to now is 108.8 secs Computing kpt #: 320 total cpu time spent up to now is 109.1 secs Computing kpt #: 321 total cpu time spent up to now is 109.5 secs Computing kpt #: 322 total cpu time spent up to now is 109.8 secs Computing kpt #: 323 total cpu time spent up to now is 110.1 secs Computing kpt #: 324 total cpu time spent up to now is 110.4 secs Computing kpt #: 325 total cpu time spent up to now is 110.7 secs Computing kpt #: 326 total cpu time spent up to now is 111.1 secs Computing kpt #: 327 total cpu time spent up to now is 111.4 secs Computing kpt #: 328 total cpu time spent up to now is 111.7 secs Computing kpt #: 329 total cpu time spent up to now is 112.1 secs Computing kpt #: 330 total cpu time spent up to now is 112.4 secs Computing kpt #: 331 total cpu time spent up to now is 112.7 secs Computing kpt #: 332 total cpu time spent up to now is 113.0 secs Computing kpt #: 333 total cpu time spent up to now is 113.3 secs Computing kpt #: 334 total cpu time spent up to now is 113.7 secs Computing kpt #: 335 total cpu time spent up to now is 114.0 secs Computing kpt #: 336 total cpu time spent up to now is 114.3 secs Computing kpt #: 337 total cpu time spent up to now is 114.6 secs Computing kpt #: 338 total cpu time spent up to now is 114.9 secs Computing kpt #: 339 total cpu time spent up to now is 115.3 secs Computing kpt #: 340 total cpu time spent up to now is 115.6 secs Computing kpt #: 341 total cpu time spent up to now is 115.9 secs Computing kpt #: 342 total cpu time spent up to now is 116.2 secs Computing kpt #: 343 total cpu time spent up to now is 116.5 secs Computing kpt #: 344 total cpu time spent up to now is 116.8 secs Computing kpt #: 345 total cpu time spent up to now is 117.1 secs Computing kpt #: 346 total cpu time spent up to now is 117.4 secs Computing kpt #: 347 total cpu time spent up to now is 117.7 secs Computing kpt #: 348 total cpu time spent up to now is 118.0 secs ethr = 2.00E-08, avg # of iterations = 11.0 total cpu time spent up to now is 118.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2763 PWs) bands (ev): -18.5611 -18.5611 -17.7740 -17.7740 -17.7652 -17.7652 -17.7207 -17.7207 -2.4907 -2.4907 -1.3792 -1.3792 -0.6806 -0.6806 -0.3906 -0.3906 -0.1536 -0.1536 -0.1312 -0.1312 -0.0113 -0.0113 0.5540 0.5540 1.4379 1.4379 1.8048 1.8048 1.8435 1.8435 2.0541 2.0541 2.9409 2.9409 3.1124 3.1124 3.2666 3.2666 3.3039 3.3039 3.4637 3.4637 3.8002 3.8002 4.0655 4.0655 4.6927 4.6927 4.8933 4.8933 5.6988 5.6988 8.1887 8.1887 13.6010 13.6010 13.7336 13.7336 14.5152 14.5152 k = 0.0000 0.0000 0.0142 ( 2763 PWs) bands (ev): -18.5607 -18.5607 -17.7749 -17.7749 -17.7652 -17.7652 -17.7202 -17.7202 -2.4896 -2.4896 -1.3789 -1.3789 -0.6801 -0.6801 -0.3912 -0.3912 -0.1536 -0.1536 -0.1301 -0.1301 -0.0122 -0.0122 0.5536 0.5536 1.4366 1.4366 1.8029 1.8029 1.8420 1.8420 2.0540 2.0540 2.9420 2.9420 3.1131 3.1131 3.2673 3.2673 3.3045 3.3045 3.4641 3.4641 3.8005 3.8005 4.0651 4.0651 4.6924 4.6924 4.8931 4.8931 5.6981 5.6981 8.1916 8.1916 13.6020 13.6020 13.7274 13.7274 14.5190 14.5190 k = 0.0000 0.0000 0.0285 ( 2760 PWs) bands (ev): -18.5597 -18.5597 -17.7774 -17.7774 -17.7652 -17.7652 -17.7189 -17.7189 -2.4865 -2.4865 -1.3781 -1.3781 -0.6786 -0.6786 -0.3930 -0.3930 -0.1538 -0.1538 -0.1269 -0.1269 -0.0149 -0.0149 0.5525 0.5525 1.4327 1.4327 1.7971 1.7971 1.8377 1.8377 2.0536 2.0536 2.9454 2.9454 3.1153 3.1153 3.2696 3.2696 3.3062 3.3062 3.4653 3.4653 3.8018 3.8018 4.0640 4.0640 4.6916 4.6916 4.8926 4.8926 5.6959 5.6959 8.2003 8.2003 13.6046 13.6046 13.7096 13.7096 14.5299 14.5299 k = 0.0000 0.0000 0.0427 ( 2759 PWs) bands (ev): -18.5580 -18.5580 -17.7815 -17.7815 -17.7650 -17.7650 -17.7169 -17.7169 -2.4812 -2.4812 -1.3767 -1.3767 -0.6761 -0.6761 -0.3959 -0.3959 -0.1542 -0.1542 -0.1216 -0.1216 -0.0192 -0.0192 0.5507 0.5507 1.4263 1.4263 1.7870 1.7870 1.8310 1.8310 2.0530 2.0530 2.9509 2.9509 3.1189 3.1189 3.2731 3.2731 3.3093 3.3093 3.4673 3.4673 3.8038 3.8038 4.0623 4.0623 4.6901 4.6901 4.8916 4.8916 5.6923 5.6923 8.2146 8.2146 13.6078 13.6078 13.6822 13.6822 14.5469 14.5469 k = 0.0000 0.0000 0.0569 ( 2757 PWs) bands (ev): -18.5556 -18.5556 -17.7869 -17.7869 -17.7647 -17.7647 -17.7146 -17.7146 -2.4739 -2.4739 -1.3748 -1.3748 -0.6726 -0.6726 -0.3996 -0.3996 -0.1549 -0.1549 -0.1144 -0.1144 -0.0252 -0.0252 0.5481 0.5481 1.4174 1.4174 1.7723 1.7723 1.8229 1.8229 2.0520 2.0520 2.9584 2.9584 3.1237 3.1237 3.2777 3.2777 3.3138 3.3138 3.4701 3.4701 3.8066 3.8066 4.0598 4.0598 4.6882 4.6882 4.8904 4.8904 5.6873 5.6873 8.2346 8.2346 13.6051 13.6051 13.6532 13.6532 14.5687 14.5687 k = 0.0000 0.0000 0.0711 ( 2751 PWs) bands (ev): -18.5526 -18.5526 -17.7933 -17.7933 -17.7643 -17.7643 -17.7121 -17.7121 -2.4644 -2.4644 -1.3724 -1.3724 -0.6682 -0.6682 -0.4039 -0.4039 -0.1562 -0.1562 -0.1053 -0.1053 -0.0326 -0.0326 0.5448 0.5448 1.4061 1.4061 1.7528 1.7528 1.8136 1.8136 2.0506 2.0506 2.9679 2.9679 3.1298 3.1298 3.2831 3.2831 3.3198 3.3198 3.4738 3.4738 3.8104 3.8104 4.0567 4.0567 4.6857 4.6857 4.8888 4.8888 5.6809 5.6809 8.2602 8.2602 13.5754 13.5754 13.6450 13.6450 14.5937 14.5937 k = 0.0000 0.0000 0.0854 ( 2754 PWs) bands (ev): -18.5489 -18.5489 -17.8006 -17.8006 -17.7637 -17.7637 -17.7096 -17.7096 -2.4529 -2.4529 -1.3694 -1.3694 -0.6630 -0.6630 -0.4087 -0.4087 -0.1583 -0.1583 -0.0948 -0.0948 -0.0410 -0.0410 0.5409 0.5409 1.3925 1.3925 1.7288 1.7288 1.8035 1.8035 2.0488 2.0488 2.9789 2.9789 3.1368 3.1368 3.2889 3.2889 3.3274 3.3274 3.4782 3.4782 3.8152 3.8152 4.0529 4.0529 4.6827 4.6827 4.8868 4.8868 5.6730 5.6730 8.2913 8.2913 13.5243 13.5243 13.6535 13.6535 14.6206 14.6206 k = 0.0000 0.0000 0.0996 ( 2750 PWs) bands (ev): -18.5445 -18.5445 -17.8087 -17.8087 -17.7631 -17.7631 -17.7072 -17.7072 -2.4394 -2.4394 -1.3661 -1.3661 -0.6571 -0.6571 -0.4135 -0.4135 -0.1615 -0.1615 -0.0831 -0.0831 -0.0501 -0.0501 0.5363 0.5363 1.3766 1.3766 1.7007 1.7007 1.7929 1.7929 2.0465 2.0465 2.9914 2.9914 3.1448 3.1448 3.2950 3.2950 3.3366 3.3366 3.4835 3.4835 3.8211 3.8211 4.0485 4.0485 4.6792 4.6792 4.8846 4.8846 5.6636 5.6636 8.3277 8.3277 13.4640 13.4640 13.6673 13.6673 14.6485 14.6485 k = 0.0000 0.0000 0.1138 ( 2754 PWs) bands (ev): -18.5394 -18.5394 -17.8175 -17.8175 -17.7623 -17.7623 -17.7050 -17.7050 -2.4240 -2.4240 -1.3623 -1.3623 -0.6505 -0.6505 -0.4181 -0.4181 -0.1661 -0.1661 -0.0715 -0.0715 -0.0584 -0.0584 0.5312 0.5312 1.3585 1.3585 1.6688 1.6688 1.7817 1.7817 2.0437 2.0437 3.0053 3.0053 3.1537 3.1537 3.3011 3.3011 3.3471 3.3471 3.4896 3.4896 3.8281 3.8281 4.0434 4.0434 4.6751 4.6751 4.8820 4.8820 5.6528 5.6528 8.3693 8.3693 13.3976 13.3976 13.6843 13.6843 14.6764 14.6764 k = 0.0000 0.0000 0.1280 ( 2752 PWs) bands (ev): -18.5338 -18.5338 -17.8269 -17.8269 -17.7614 -17.7614 -17.7029 -17.7029 -2.4065 -2.4065 -1.3580 -1.3580 -0.6435 -0.6435 -0.4223 -0.4223 -0.1727 -0.1727 -0.0714 -0.0714 -0.0539 -0.0539 0.5256 0.5256 1.3383 1.3383 1.6338 1.6338 1.7703 1.7703 2.0402 2.0402 3.0202 3.0202 3.1632 3.1632 3.3074 3.3074 3.3585 3.3585 3.4966 3.4966 3.8364 3.8364 4.0379 4.0379 4.6706 4.6706 4.8792 4.8792 5.6406 5.6406 8.4159 8.4159 13.3264 13.3264 13.7039 13.7039 14.7037 14.7037 k = 0.0000 0.0000 0.1423 ( 2756 PWs) bands (ev): -18.5275 -18.5275 -17.8370 -17.8370 -17.7604 -17.7604 -17.7011 -17.7011 -2.3871 -2.3871 -1.3535 -1.3535 -0.6362 -0.6362 -0.4256 -0.4256 -0.1820 -0.1820 -0.0790 -0.0790 -0.0401 -0.0401 0.5195 0.5195 1.3161 1.3161 1.5960 1.5960 1.7587 1.7587 2.0361 2.0361 3.0360 3.0360 3.1734 3.1734 3.3137 3.3137 3.3705 3.3705 3.5044 3.5044 3.8461 3.8461 4.0318 4.0318 4.6657 4.6657 4.8761 4.8761 5.6270 5.6270 8.4673 8.4673 13.2512 13.2512 13.7258 13.7258 14.7299 14.7299 k = 0.0000 0.0000 0.1565 ( 2754 PWs) bands (ev): -18.5205 -18.5205 -17.8475 -17.8475 -17.7593 -17.7593 -17.6995 -17.6995 -2.3659 -2.3659 -1.3486 -1.3486 -0.6290 -0.6290 -0.4278 -0.4278 -0.1942 -0.1942 -0.0856 -0.0856 -0.0252 -0.0252 0.5132 0.5132 1.2918 1.2918 1.5560 1.5560 1.7472 1.7472 2.0313 2.0313 3.0525 3.0525 3.1842 3.1842 3.3202 3.3202 3.3827 3.3827 3.5130 3.5130 3.8573 3.8573 4.0254 4.0254 4.6603 4.6603 4.8728 4.8728 5.6119 5.6119 8.5234 8.5234 13.1723 13.1723 13.7498 13.7498 14.7546 14.7546 k = 0.0000 0.0000 0.1707 ( 2752 PWs) bands (ev): -18.5129 -18.5129 -17.8587 -17.8587 -17.7582 -17.7582 -17.6981 -17.6981 -2.3428 -2.3428 -1.3435 -1.3435 -0.6221 -0.6221 -0.4285 -0.4285 -0.2095 -0.2095 -0.0906 -0.0906 -0.0098 -0.0098 0.5066 0.5066 1.2655 1.2655 1.5142 1.5142 1.7359 1.7359 2.0258 2.0258 3.0695 3.0695 3.1955 3.1955 3.3268 3.3268 3.3946 3.3946 3.5222 3.5222 3.8700 3.8700 4.0189 4.0189 4.6546 4.6546 4.8694 4.8694 5.5955 5.5955 8.5840 8.5840 13.0903 13.0903 13.7759 13.7759 14.7775 14.7775 k = 0.0000 0.0000 0.1849 ( 2754 PWs) bands (ev): -18.5048 -18.5048 -17.8703 -17.8703 -17.7569 -17.7569 -17.6970 -17.6970 -2.3179 -2.3179 -1.3383 -1.3383 -0.6160 -0.6160 -0.4272 -0.4272 -0.2278 -0.2278 -0.0940 -0.0940 0.0057 0.0057 0.5000 0.5000 1.2371 1.2371 1.4712 1.4712 1.7250 1.7250 2.0195 2.0195 3.0870 3.0870 3.2073 3.2073 3.3335 3.3335 3.4059 3.4059 3.5319 3.5319 3.8840 3.8840 4.0126 4.0126 4.6485 4.6485 4.8658 4.8658 5.5777 5.5777 8.6489 8.6489 13.0054 13.0054 13.8040 13.8040 14.7984 14.7984 k = 0.0000 0.0000 0.1992 ( 2752 PWs) bands (ev): -18.4960 -18.4960 -17.8824 -17.8824 -17.7556 -17.7556 -17.6961 -17.6961 -2.2913 -2.2913 -1.3329 -1.3329 -0.6109 -0.6109 -0.4236 -0.4236 -0.2486 -0.2486 -0.0960 -0.0960 0.0212 0.0212 0.4936 0.4936 1.2064 1.2064 1.4275 1.4275 1.7147 1.7147 2.0124 2.0124 3.1047 3.1047 3.2196 3.2196 3.3404 3.3404 3.4165 3.4165 3.5419 3.5419 3.8986 3.8986 4.0071 4.0071 4.6422 4.6422 4.8622 4.8622 5.5586 5.5586 8.7178 8.7178 12.9179 12.9179 13.8339 13.8339 14.8172 14.8172 k = 0.0000 0.0000 0.2134 ( 2750 PWs) bands (ev): -18.4867 -18.4867 -17.8950 -17.8950 -17.7541 -17.7541 -17.6954 -17.6954 -2.2630 -2.2630 -1.3277 -1.3277 -0.6072 -0.6072 -0.4173 -0.4173 -0.2715 -0.2715 -0.0968 -0.0968 0.0363 0.0363 0.4875 0.4875 1.1734 1.1734 1.3837 1.3837 1.7051 1.7051 2.0046 2.0046 3.1225 3.1225 3.2323 3.2323 3.3474 3.3474 3.4262 3.4262 3.5520 3.5520 3.9127 3.9127 4.0039 4.0039 4.6355 4.6355 4.8585 4.8585 5.5381 5.5381 8.7905 8.7905 12.8281 12.8281 13.8656 13.8656 14.8336 14.8336 k = 0.0000 0.0000 0.2276 ( 2748 PWs) bands (ev): -18.4768 -18.4768 -17.9080 -17.9080 -17.7526 -17.7526 -17.6949 -17.6949 -2.2332 -2.2332 -1.3226 -1.3226 -0.6050 -0.6050 -0.4082 -0.4082 -0.2961 -0.2961 -0.0967 -0.0967 0.0510 0.0510 0.4819 0.4819 1.1379 1.1379 1.3402 1.3402 1.6963 1.6963 1.9960 1.9960 3.1404 3.1404 3.2453 3.2453 3.3546 3.3546 3.4350 3.4350 3.5620 3.5620 3.9238 3.9238 4.0054 4.0054 4.6287 4.6287 4.8549 4.8549 5.5164 5.5164 8.8668 8.8668 12.7360 12.7360 13.8989 13.8989 14.8476 14.8476 k = 0.0000 0.0000 0.2418 ( 2757 PWs) bands (ev): -18.4664 -18.4664 -17.9215 -17.9215 -17.7510 -17.7510 -17.6947 -17.6947 -2.2018 -2.2018 -1.3177 -1.3177 -0.6045 -0.6045 -0.3964 -0.3964 -0.3219 -0.3219 -0.0958 -0.0958 0.0648 0.0648 0.4773 0.4773 1.0997 1.0997 1.2977 1.2977 1.6885 1.6885 1.9867 1.9867 3.1582 3.1582 3.2586 3.2586 3.3618 3.3618 3.4429 3.4429 3.5716 3.5716 3.9286 3.9286 4.0145 4.0145 4.6216 4.6216 4.8514 4.8514 5.4935 5.4935 8.9466 8.9466 12.6420 12.6420 13.9337 13.9337 14.8592 14.8592 k = 0.0000 0.0000 0.2561 ( 2757 PWs) bands (ev): -18.4554 -18.4554 -17.9353 -17.9353 -17.7494 -17.7494 -17.6946 -17.6946 -2.1690 -2.1690 -1.3133 -1.3133 -0.6053 -0.6053 -0.3822 -0.3822 -0.3483 -0.3483 -0.0944 -0.0944 0.0777 0.0777 0.4738 0.4738 1.0588 1.0588 1.2564 1.2564 1.6818 1.6818 1.9766 1.9766 3.1758 3.1758 3.2720 3.2720 3.3691 3.3691 3.4500 3.4500 3.5807 3.5807 3.9270 3.9270 4.0317 4.0317 4.6144 4.6144 4.8482 4.8482 5.4694 5.4694 9.0295 9.0295 12.5460 12.5460 13.9699 13.9699 14.8682 14.8682 k = 0.0000 0.0000 0.2703 ( 2762 PWs) bands (ev): -18.4439 -18.4439 -17.9496 -17.9496 -17.7477 -17.7477 -17.6948 -17.6948 -2.1349 -2.1349 -1.3095 -1.3095 -0.6075 -0.6075 -0.3795 -0.3795 -0.3614 -0.3614 -0.0924 -0.0924 0.0892 0.0892 0.4718 0.4718 1.0154 1.0154 1.2167 1.2167 1.6762 1.6762 1.9658 1.9658 3.1932 3.1932 3.2856 3.2856 3.3765 3.3765 3.4562 3.4562 3.5894 3.5894 3.9208 3.9208 4.0546 4.0546 4.6071 4.6071 4.8452 4.8452 5.4441 5.4441 9.1155 9.1155 12.4484 12.4484 14.0073 14.0073 14.8747 14.8747 k = 0.0000 0.0000 0.2845 ( 2760 PWs) bands (ev): -18.4319 -18.4319 -17.9642 -17.9642 -17.7459 -17.7459 -17.6951 -17.6951 -2.0996 -2.0996 -1.3065 -1.3065 -0.6107 -0.6107 -0.4058 -0.4058 -0.3435 -0.3435 -0.0899 -0.0899 0.0992 0.0992 0.4717 0.4717 0.9695 0.9695 1.1785 1.1785 1.6718 1.6718 1.9544 1.9544 3.2103 3.2103 3.2992 3.2992 3.3839 3.3839 3.4616 3.4616 3.5976 3.5976 3.9119 3.9119 4.0812 4.0812 4.5998 4.5998 4.8427 4.8427 5.4179 5.4179 9.2042 9.2042 12.3491 12.3491 14.0458 14.0458 14.8786 14.8786 k = 0.0000 0.0000 0.2988 ( 2761 PWs) bands (ev): -18.4194 -18.4194 -17.9791 -17.9791 -17.7441 -17.7441 -17.6956 -17.6956 -2.0630 -2.0630 -1.3045 -1.3045 -0.6147 -0.6147 -0.4338 -0.4338 -0.3221 -0.3221 -0.0871 -0.0871 0.1074 0.1074 0.4737 0.4737 0.9217 0.9217 1.1418 1.1418 1.6686 1.6686 1.9423 1.9423 3.2270 3.2270 3.3126 3.3126 3.3913 3.3913 3.4663 3.4663 3.6052 3.6052 3.9015 3.9015 4.1101 4.1101 4.5924 4.5924 4.8407 4.8407 5.3906 5.3906 9.2955 9.2955 12.2484 12.2484 14.0852 14.0852 14.8800 14.8800 k = 0.0000 0.0000 0.3130 ( 2762 PWs) bands (ev): -18.4065 -18.4065 -17.9943 -17.9943 -17.7422 -17.7422 -17.6963 -17.6963 -2.0255 -2.0255 -1.3038 -1.3038 -0.6194 -0.6194 -0.4616 -0.4616 -0.2987 -0.2987 -0.0838 -0.0838 0.1138 0.1138 0.4780 0.4780 0.8724 0.8724 1.1065 1.1065 1.6667 1.6667 1.9297 1.9297 3.2433 3.2433 3.3258 3.3258 3.3988 3.3988 3.4702 3.4702 3.6125 3.6125 3.8901 3.8901 4.1404 4.1404 4.5850 4.5850 4.8395 4.8395 5.3625 5.3625 9.3891 9.3891 12.1462 12.1462 14.1254 14.1254 14.8787 14.8787 k = 0.0000 0.0000 0.3272 ( 2764 PWs) bands (ev): -18.3932 -18.3932 -18.0099 -18.0099 -17.7402 -17.7402 -17.6971 -17.6971 -1.9870 -1.9870 -1.3046 -1.3046 -0.6245 -0.6245 -0.4889 -0.4889 -0.2737 -0.2737 -0.0802 -0.0802 0.1183 0.1183 0.4848 0.4848 0.8219 0.8219 1.0723 1.0723 1.6661 1.6661 1.9166 1.9166 3.2592 3.2592 3.3385 3.3385 3.4062 3.4062 3.4733 3.4733 3.6194 3.6194 3.8780 3.8780 4.1716 4.1716 4.5776 4.5776 4.8391 4.8391 5.3336 5.3336 9.4850 9.4850 12.0429 12.0429 14.1662 14.1662 14.8748 14.8748 k = 0.0000 0.0000 0.3414 ( 2764 PWs) bands (ev): -18.3794 -18.3794 -18.0256 -18.0256 -17.7383 -17.7383 -17.6981 -17.6981 -1.9478 -1.9478 -1.3072 -1.3072 -0.6299 -0.6299 -0.5153 -0.5153 -0.2474 -0.2474 -0.0762 -0.0762 0.1211 0.1211 0.4940 0.4940 0.7707 0.7707 1.0391 1.0391 1.6668 1.6668 1.9031 1.9031 3.2745 3.2745 3.3506 3.3506 3.4136 3.4136 3.4758 3.4758 3.6261 3.6261 3.8653 3.8653 4.2031 4.2031 4.5702 4.5702 4.8398 4.8398 5.3039 5.3039 9.5829 9.5829 11.9384 11.9384 14.2074 14.2074 14.8683 14.8683 k = 0.0000 0.0000 0.3557 ( 2762 PWs) bands (ev): -18.3652 -18.3652 -18.0416 -18.0416 -17.7363 -17.7363 -17.6992 -17.6992 -1.9079 -1.9079 -1.3120 -1.3120 -0.6355 -0.6355 -0.5404 -0.5404 -0.2199 -0.2199 -0.0719 -0.0719 0.1226 0.1226 0.5057 0.5057 0.7193 0.7193 1.0067 1.0067 1.6688 1.6688 1.8892 1.8892 3.2894 3.2894 3.3620 3.3620 3.4209 3.4209 3.4777 3.4777 3.6328 3.6328 3.8522 3.8522 4.2344 4.2344 4.5628 4.5628 4.8418 4.8418 5.2737 5.2737 9.6826 9.6826 11.8329 11.8329 14.2489 14.2489 14.8592 14.8592 k = 0.0000 0.0000 0.3699 ( 2763 PWs) bands (ev): -18.3507 -18.3507 -18.0578 -18.0578 -17.7342 -17.7342 -17.7004 -17.7004 -1.8676 -1.8676 -1.3192 -1.3192 -0.6411 -0.6411 -0.5640 -0.5640 -0.1917 -0.1917 -0.0673 -0.0673 0.1231 0.1231 0.5194 0.5194 0.6679 0.6679 0.9751 0.9751 1.6720 1.6720 1.8751 1.8751 3.3036 3.3036 3.3722 3.3722 3.4280 3.4280 3.4789 3.4789 3.6396 3.6396 3.8389 3.8389 4.2653 4.2653 4.5555 4.5555 4.8452 4.8452 5.2430 5.2430 9.7840 9.7840 11.7264 11.7264 14.2905 14.2905 14.8475 14.8475 k = 0.0000 0.0000 0.3841 ( 2758 PWs) bands (ev): -18.3359 -18.3359 -18.0742 -18.0742 -17.7322 -17.7322 -17.7018 -17.7018 -1.8269 -1.8269 -1.3291 -1.3291 -0.6467 -0.6467 -0.5855 -0.5855 -0.1633 -0.1633 -0.0625 -0.0625 0.1233 0.1233 0.5349 0.5349 0.6173 0.6173 0.9440 0.9440 1.6765 1.6765 1.8607 1.8607 3.3173 3.3173 3.3812 3.3812 3.4351 3.4351 3.4797 3.4797 3.6465 3.6465 3.8255 3.8255 4.2953 4.2953 4.5480 4.5480 4.8505 4.8505 5.2119 5.2119 9.8869 9.8869 11.6192 11.6192 14.3319 14.3319 14.8334 14.8334 k = 0.0000 0.0000 0.3983 ( 2757 PWs) bands (ev): -18.3207 -18.3207 -18.0907 -18.0907 -17.7301 -17.7301 -17.7032 -17.7032 -1.7861 -1.7861 -1.3419 -1.3419 -0.6520 -0.6520 -0.6048 -0.6048 -0.1352 -0.1352 -0.0574 -0.0574 0.1242 0.1242 0.5476 0.5476 0.5718 0.5718 0.9136 0.9136 1.6821 1.6821 1.8463 1.8463 3.3302 3.3302 3.3888 3.3888 3.4418 3.4418 3.4799 3.4799 3.6537 3.6537 3.8119 3.8119 4.3240 4.3240 4.5404 4.5404 4.8576 4.8576 5.1807 5.1807 9.9911 9.9911 11.5113 11.5113 14.3730 14.3730 14.8167 14.8167 k = 0.0000 0.0000 0.4126 ( 2751 PWs) bands (ev): -18.3052 -18.3052 -18.1074 -18.1074 -17.7280 -17.7280 -17.7048 -17.7048 -1.7454 -1.7454 -1.3578 -1.3578 -0.6571 -0.6571 -0.6217 -0.6217 -0.1083 -0.1083 -0.0521 -0.0521 0.1267 0.1267 0.5131 0.5131 0.5758 0.5758 0.8837 0.8837 1.6889 1.6889 1.8318 1.8318 3.3424 3.3424 3.3949 3.3949 3.4482 3.4482 3.4797 3.4797 3.6614 3.6614 3.7983 3.7983 4.3512 4.3512 4.5325 4.5325 4.8671 4.8671 5.1495 5.1495 10.0965 10.0965 11.4027 11.4027 14.4136 14.4136 14.7976 14.7976 k = 0.0000 0.0000 0.4268 ( 2753 PWs) bands (ev): -18.2895 -18.2895 -18.1241 -18.1241 -17.7259 -17.7259 -17.7064 -17.7064 -1.7049 -1.7049 -1.3768 -1.3768 -0.6616 -0.6616 -0.6360 -0.6360 -0.0840 -0.0840 -0.0468 -0.0468 0.1324 0.1324 0.4652 0.4652 0.5958 0.5958 0.8543 0.8543 1.6967 1.6967 1.8174 1.8174 3.3537 3.3537 3.3993 3.3993 3.4541 3.4541 3.4792 3.4792 3.6696 3.6696 3.7847 3.7847 4.3764 4.3764 4.5243 4.5243 4.8789 4.8789 5.1185 5.1185 10.2029 10.2029 11.2937 11.2937 14.4535 14.4535 14.7761 14.7761 k = 0.0000 0.0000 0.4410 ( 2754 PWs) bands (ev): -18.2736 -18.2736 -18.1409 -18.1409 -17.7238 -17.7238 -17.7081 -17.7081 -1.6650 -1.6650 -1.3990 -1.3990 -0.6655 -0.6655 -0.6478 -0.6478 -0.0637 -0.0637 -0.0415 -0.0415 0.1429 0.1429 0.4178 0.4178 0.6177 0.6177 0.8255 0.8255 1.7055 1.7055 1.8031 1.8031 3.3642 3.3642 3.4019 3.4019 3.4593 3.4593 3.4785 3.4785 3.6784 3.6784 3.7712 3.7712 4.3996 4.3996 4.5155 4.5155 4.8933 4.8933 5.0879 5.0879 10.3102 10.3102 11.1844 11.1844 14.4925 14.4925 14.7524 14.7524 k = 0.0000 0.0000 0.4552 ( 2756 PWs) bands (ev): -18.2574 -18.2574 -18.1577 -18.1577 -17.7217 -17.7217 -17.7099 -17.7099 -1.6259 -1.6259 -1.4243 -1.4243 -0.6686 -0.6686 -0.6569 -0.6569 -0.0486 -0.0486 -0.0365 -0.0365 0.1596 0.1596 0.3719 0.3719 0.6408 0.6408 0.7972 0.7972 1.7153 1.7153 1.7891 1.7891 3.3736 3.3736 3.4027 3.4027 3.4638 3.4638 3.4775 3.4775 3.6879 3.6879 3.7579 3.7579 4.4206 4.4206 4.5060 4.5060 4.9102 4.9102 5.0581 5.0581 10.4182 10.4182 11.0747 11.0747 14.5305 14.5305 14.7264 14.7264 k = 0.0000 0.0000 0.4695 ( 2756 PWs) bands (ev): -18.2411 -18.2411 -18.1745 -18.1745 -17.7197 -17.7197 -17.7118 -17.7118 -1.5879 -1.5879 -1.4524 -1.4524 -0.6707 -0.6707 -0.6637 -0.6637 -0.0388 -0.0388 -0.0323 -0.0323 0.1831 0.1831 0.3278 0.3278 0.6650 0.6650 0.7695 0.7695 1.7259 1.7259 1.7754 1.7754 3.3819 3.3819 3.4018 3.4018 3.4675 3.4675 3.4763 3.4763 3.6981 3.6981 3.7450 3.7450 4.4394 4.4394 4.4956 4.4956 4.9297 4.9297 5.0292 5.0292 10.5269 10.5269 10.9650 10.9650 14.5672 14.5672 14.6983 14.6983 k = 0.0000 0.0000 0.4837 ( 2752 PWs) bands (ev): -18.2246 -18.2246 -18.1913 -18.1913 -17.7176 -17.7176 -17.7137 -17.7137 -1.5512 -1.5512 -1.4831 -1.4831 -0.6714 -0.6714 -0.6682 -0.6682 -0.0331 -0.0331 -0.0300 -0.0300 0.2127 0.2127 0.2861 0.2861 0.6900 0.6900 0.7423 0.7423 1.7373 1.7373 1.7622 1.7622 3.3891 3.3891 3.3991 3.3991 3.4706 3.4706 3.4749 3.4749 3.7089 3.7089 3.7325 3.7325 4.4561 4.4561 4.4840 4.4840 4.9516 4.9516 5.0016 5.0016 10.6360 10.6360 10.8552 10.8552 14.6025 14.6025 14.6682 14.6682 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.2080 -18.2080 -18.2080 -18.2080 -17.7157 -17.7157 -17.7157 -17.7157 -1.5161 -1.5161 -1.5161 -1.5161 -0.6707 -0.6707 -0.6707 -0.6707 -0.0303 -0.0303 -0.0303 -0.0303 0.2474 0.2474 0.2474 0.2474 0.7158 0.7158 0.7158 0.7158 1.7494 1.7494 1.7494 1.7494 3.3948 3.3948 3.3948 3.3948 3.4730 3.4730 3.4730 3.4730 3.7204 3.7204 3.7204 3.7204 4.4709 4.4709 4.4709 4.4709 4.9756 4.9756 4.9756 4.9756 10.7455 10.7455 10.7455 10.7455 14.6362 14.6362 14.6362 14.6362 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.2080 -18.2080 -18.2080 -18.2080 -17.7157 -17.7157 -17.7157 -17.7157 -1.5161 -1.5161 -1.5161 -1.5161 -0.6707 -0.6707 -0.6707 -0.6707 -0.0303 -0.0303 -0.0303 -0.0303 0.2474 0.2474 0.2474 0.2474 0.7158 0.7158 0.7158 0.7158 1.7494 1.7494 1.7494 1.7494 3.3948 3.3948 3.3948 3.3948 3.4730 3.4730 3.4730 3.4730 3.7204 3.7204 3.7204 3.7204 4.4709 4.4709 4.4709 4.4709 4.9756 4.9756 4.9756 4.9756 10.7455 10.7455 10.7455 10.7455 14.6362 14.6362 14.6362 14.6362 k = 0.0000 0.0144 0.4979 ( 2752 PWs) bands (ev): -18.2090 -18.2090 -18.2065 -18.2065 -17.7179 -17.7179 -17.7135 -17.7135 -1.5225 -1.5225 -1.5089 -1.5089 -0.6783 -0.6783 -0.6646 -0.6646 -0.0315 -0.0315 -0.0292 -0.0292 0.2301 0.2301 0.2654 0.2654 0.6982 0.6982 0.7320 0.7320 1.7461 1.7461 1.7531 1.7531 3.3896 3.3896 3.3996 3.3996 3.4659 3.4659 3.4807 3.4807 3.7180 3.7180 3.7230 3.7230 4.4641 4.4641 4.4769 4.4769 4.9564 4.9564 4.9943 4.9943 10.7412 10.7412 10.7538 10.7538 14.6250 14.6250 14.6508 14.6508 k = 0.0000 0.0289 0.4979 ( 2753 PWs) bands (ev): -18.2097 -18.2097 -18.2048 -18.2048 -17.7202 -17.7202 -17.7115 -17.7115 -1.5279 -1.5279 -1.5007 -1.5007 -0.6872 -0.6872 -0.6602 -0.6602 -0.0331 -0.0331 -0.0285 -0.0285 0.2135 0.2135 0.2835 0.2835 0.6795 0.6795 0.7465 0.7465 1.7430 1.7430 1.7569 1.7569 3.3842 3.3842 3.4035 3.4035 3.4599 3.4599 3.4888 3.4888 3.7157 3.7157 3.7256 3.7256 4.4563 4.4563 4.4821 4.4821 4.9365 4.9365 5.0122 5.0122 10.7411 10.7411 10.7661 10.7661 14.6172 14.6172 14.6689 14.6689 k = 0.0000 0.0433 0.4979 ( 2753 PWs) bands (ev): -18.2100 -18.2100 -18.2026 -18.2026 -17.7227 -17.7227 -17.7096 -17.7096 -1.5324 -1.5324 -1.4916 -1.4916 -0.6972 -0.6972 -0.6577 -0.6577 -0.0351 -0.0351 -0.0280 -0.0280 0.1980 0.1980 0.3014 0.3014 0.6601 0.6601 0.7593 0.7593 1.7403 1.7403 1.7608 1.7608 3.3788 3.3788 3.4059 3.4059 3.4555 3.4555 3.4970 3.4970 3.7135 3.7135 3.7283 3.7283 4.4476 4.4476 4.4865 4.4865 4.9160 4.9160 5.0296 5.0296 10.7450 10.7450 10.7824 10.7824 14.6125 14.6125 14.6905 14.6905 k = 0.0000 0.0577 0.4979 ( 2754 PWs) bands (ev): -18.2100 -18.2100 -18.2001 -18.2001 -17.7253 -17.7253 -17.7077 -17.7077 -1.5361 -1.5361 -1.4816 -1.4816 -0.7082 -0.7082 -0.6572 -0.6572 -0.0375 -0.0375 -0.0279 -0.0279 0.1838 0.1838 0.3184 0.3184 0.6406 0.6406 0.7704 0.7704 1.7379 1.7379 1.7647 1.7647 3.3734 3.3734 3.4062 3.4062 3.4534 3.4534 3.5052 3.5052 3.7115 3.7115 3.7312 3.7312 4.4379 4.4379 4.4901 4.4901 4.8949 4.8949 5.0465 5.0465 10.7530 10.7530 10.8026 10.8026 14.6108 14.6108 14.7158 14.7158 k = 0.0000 0.0721 0.4979 ( 2755 PWs) bands (ev): -18.2096 -18.2096 -18.1973 -18.1973 -17.7280 -17.7280 -17.7060 -17.7060 -1.5390 -1.5390 -1.4706 -1.4706 -0.7199 -0.7199 -0.6590 -0.6590 -0.0403 -0.0403 -0.0280 -0.0280 0.1711 0.1711 0.3336 0.3336 0.6221 0.6221 0.7799 0.7799 1.7358 1.7358 1.7685 1.7685 3.3682 3.3682 3.4043 3.4043 3.4538 3.4538 3.5132 3.5132 3.7096 3.7096 3.7341 3.7341 4.4271 4.4271 4.4929 4.4929 4.8734 4.8734 5.0629 5.0629 10.7650 10.7650 10.8266 10.8266 14.6120 14.6120 14.7447 14.7447 k = 0.0000 0.0866 0.4979 ( 2754 PWs) bands (ev): -18.2088 -18.2088 -18.1941 -18.1941 -17.7309 -17.7309 -17.7044 -17.7044 -1.5411 -1.5411 -1.4587 -1.4587 -0.7322 -0.7322 -0.6630 -0.6630 -0.0436 -0.0436 -0.0286 -0.0286 0.1600 0.1600 0.3456 0.3456 0.6061 0.6061 0.7878 0.7878 1.7339 1.7339 1.7720 1.7720 3.3632 3.3632 3.4004 3.4004 3.4563 3.4563 3.5210 3.5210 3.7079 3.7079 3.7370 3.7370 4.4154 4.4154 4.4950 4.4950 4.8515 4.8515 5.0790 5.0790 10.7811 10.7811 10.8544 10.8544 14.6158 14.6158 14.7772 14.7772 k = 0.0000 0.1010 0.4979 ( 2750 PWs) bands (ev): -18.2077 -18.2077 -18.1906 -18.1906 -17.7339 -17.7339 -17.7029 -17.7029 -1.5424 -1.5424 -1.4460 -1.4460 -0.7449 -0.7449 -0.6693 -0.6693 -0.0477 -0.0477 -0.0296 -0.0296 0.1508 0.1508 0.3529 0.3529 0.5942 0.5942 0.7942 0.7942 1.7322 1.7322 1.7752 1.7752 3.3585 3.3585 3.3954 3.3954 3.4600 3.4600 3.5284 3.5284 3.7063 3.7063 3.7401 3.7401 4.4025 4.4025 4.4961 4.4961 4.8295 4.8295 5.0947 5.0947 10.8012 10.8012 10.8858 10.8858 14.6220 14.6220 14.8134 14.8134 k = 0.0000 0.1154 0.4979 ( 2752 PWs) bands (ev): -18.2062 -18.2062 -18.1868 -18.1868 -17.7370 -17.7370 -17.7014 -17.7014 -1.5430 -1.5430 -1.4323 -1.4323 -0.7580 -0.7580 -0.6781 -0.6781 -0.0525 -0.0525 -0.0313 -0.0313 0.1435 0.1435 0.3537 0.3537 0.5885 0.5885 0.7994 0.7994 1.7305 1.7305 1.7780 1.7780 3.3540 3.3540 3.3897 3.3897 3.4645 3.4645 3.5352 3.5352 3.7049 3.7049 3.7432 3.7432 4.3886 4.3886 4.4962 4.4962 4.8077 4.8077 5.1102 5.1102 10.8251 10.8251 10.9208 10.9208 14.6303 14.6303 14.8531 14.8531 k = 0.0000 0.1299 0.4979 ( 2754 PWs) bands (ev): -18.2043 -18.2043 -18.1826 -18.1826 -17.7403 -17.7403 -17.7000 -17.7000 -1.5429 -1.5429 -1.4177 -1.4177 -0.7712 -0.7712 -0.6891 -0.6891 -0.0582 -0.0582 -0.0337 -0.0337 0.1383 0.1383 0.3471 0.3471 0.5900 0.5900 0.8035 0.8035 1.7288 1.7288 1.7801 1.7801 3.3497 3.3497 3.3838 3.3838 3.4694 3.4694 3.5415 3.5415 3.7036 3.7036 3.7463 3.7463 4.3737 4.3737 4.4950 4.4950 4.7865 4.7865 5.1256 5.1256 10.8529 10.8529 10.9592 10.9592 14.6404 14.6404 14.8964 14.8964 k = 0.0000 0.1443 0.4979 ( 2759 PWs) bands (ev): -18.2021 -18.2021 -18.1782 -18.1782 -17.7437 -17.7437 -17.6987 -17.6987 -1.5423 -1.5423 -1.4024 -1.4024 -0.7845 -0.7845 -0.7023 -0.7023 -0.0650 -0.0650 -0.0371 -0.0371 0.1353 0.1353 0.3336 0.3336 0.5984 0.5984 0.8067 0.8067 1.7269 1.7269 1.7816 1.7816 3.3456 3.3456 3.3777 3.3777 3.4743 3.4743 3.5472 3.5472 3.7026 3.7026 3.7495 3.7495 4.3578 4.3578 4.4921 4.4921 4.7663 4.7663 5.1408 5.1408 10.8844 10.8844 11.0009 11.0009 14.6521 14.6521 14.9430 14.9430 k = 0.0000 0.1587 0.4979 ( 2765 PWs) bands (ev): -18.1996 -18.1996 -18.1735 -18.1735 -17.7473 -17.7473 -17.6975 -17.6975 -1.5412 -1.5412 -1.3862 -1.3862 -0.7978 -0.7978 -0.7175 -0.7175 -0.0730 -0.0730 -0.0413 -0.0413 0.1345 0.1345 0.3148 0.3148 0.6127 0.6127 0.8093 0.8093 1.7248 1.7248 1.7824 1.7824 3.3418 3.3418 3.3716 3.3716 3.4792 3.4792 3.5522 3.5522 3.7016 3.7016 3.7527 3.7527 4.3409 4.3409 4.4871 4.4871 4.7477 4.7477 5.1561 5.1561 10.9196 10.9196 11.0457 11.0457 14.6650 14.6650 14.9931 14.9931 k = 0.0000 0.1731 0.4979 ( 2765 PWs) bands (ev): -18.1967 -18.1967 -18.1685 -18.1685 -17.7511 -17.7511 -17.6964 -17.6964 -1.5396 -1.5396 -1.3692 -1.3692 -0.8110 -0.8110 -0.7345 -0.7345 -0.0825 -0.0825 -0.0466 -0.0466 0.1357 0.1357 0.2924 0.2924 0.6311 0.6311 0.8113 0.8113 1.7224 1.7224 1.7823 1.7823 3.3381 3.3381 3.3655 3.3655 3.4841 3.4841 3.5565 3.5565 3.7008 3.7008 3.7559 3.7559 4.3232 4.3232 4.4796 4.4796 4.7314 4.7314 5.1713 5.1713 10.9583 10.9583 11.0937 11.0937 14.6787 14.6787 15.0463 15.0463 k = 0.0000 0.1876 0.4979 ( 2768 PWs) bands (ev): -18.1935 -18.1935 -18.1632 -18.1632 -17.7550 -17.7550 -17.6953 -17.6953 -1.5378 -1.5378 -1.3515 -1.3515 -0.8240 -0.8240 -0.7530 -0.7530 -0.0936 -0.0936 -0.0528 -0.0528 0.1388 0.1388 0.2680 0.2680 0.6526 0.6526 0.8129 0.8129 1.7196 1.7196 1.7814 1.7814 3.3344 3.3344 3.3594 3.3594 3.4887 3.4887 3.5601 3.5601 3.7002 3.7002 3.7592 3.7592 4.3047 4.3047 4.4690 4.4690 4.7179 4.7179 5.1866 5.1866 11.0005 11.0005 11.1446 11.1446 14.6929 14.6929 15.1026 15.1026 k = 0.0000 0.2020 0.4979 ( 2770 PWs) bands (ev): -18.1899 -18.1899 -18.1576 -18.1576 -17.7591 -17.7591 -17.6944 -17.6944 -1.5357 -1.5357 -1.3330 -1.3330 -0.8367 -0.8367 -0.7729 -0.7729 -0.1065 -0.1065 -0.0600 -0.0600 0.1435 0.1435 0.2428 0.2428 0.6762 0.6762 0.8143 0.8143 1.7163 1.7163 1.7796 1.7796 3.3307 3.3307 3.3535 3.3535 3.4931 3.4931 3.5628 3.5628 3.6997 3.6997 3.7626 3.7626 4.2855 4.2855 4.4552 4.4552 4.7077 4.7077 5.2020 5.2020 11.0459 11.0459 11.1983 11.1983 14.7070 14.7070 15.1618 15.1618 k = 0.0000 0.2164 0.4979 ( 2769 PWs) bands (ev): -18.1861 -18.1861 -18.1519 -18.1519 -17.7633 -17.7633 -17.6934 -17.6934 -1.5336 -1.5336 -1.3140 -1.3140 -0.8491 -0.8491 -0.7937 -0.7937 -0.1214 -0.1214 -0.0678 -0.0678 0.1498 0.1498 0.2178 0.2178 0.7013 0.7013 0.8157 0.8157 1.7124 1.7124 1.7769 1.7769 3.3268 3.3268 3.3477 3.3477 3.4972 3.4972 3.5648 3.5648 3.6994 3.6994 3.7660 3.7660 4.2657 4.2657 4.4381 4.4381 4.7008 4.7008 5.2174 5.2174 11.0945 11.0945 11.2547 11.2547 14.7208 14.7208 15.2239 15.2239 k = 0.0000 0.2309 0.4979 ( 2775 PWs) bands (ev): -18.1819 -18.1819 -18.1459 -18.1459 -17.7678 -17.7678 -17.6926 -17.6926 -1.5316 -1.5316 -1.2944 -1.2944 -0.8611 -0.8611 -0.8151 -0.8151 -0.1386 -0.1386 -0.0764 -0.0764 0.1570 0.1570 0.1937 0.1937 0.7274 0.7274 0.8171 0.8171 1.7081 1.7081 1.7733 1.7733 3.3225 3.3225 3.3421 3.3421 3.5010 3.5010 3.5659 3.5659 3.6992 3.6992 3.7695 3.7695 4.2455 4.2455 4.4180 4.4180 4.6972 4.6972 5.2330 5.2330 11.1462 11.1462 11.3136 11.3136 14.7337 14.7337 15.2885 15.2885 k = 0.0000 0.2453 0.4979 ( 2771 PWs) bands (ev): -18.1775 -18.1775 -18.1396 -18.1396 -17.7724 -17.7724 -17.6918 -17.6918 -1.5298 -1.5298 -1.2742 -1.2742 -0.8726 -0.8726 -0.8369 -0.8369 -0.1580 -0.1580 -0.0856 -0.0856 0.1633 0.1633 0.1730 0.1730 0.7542 0.7542 0.8188 0.8188 1.7031 1.7031 1.7688 1.7688 3.3177 3.3177 3.3369 3.3369 3.5043 3.5043 3.5663 3.5663 3.6992 3.6992 3.7732 3.7732 4.2249 4.2249 4.3952 4.3952 4.6964 4.6964 5.2487 5.2487 11.2007 11.2007 11.3750 11.3750 14.7452 14.7452 15.3554 15.3554 k = 0.0000 0.2597 0.4979 ( 2773 PWs) bands (ev): -18.1728 -18.1728 -18.1332 -18.1332 -17.7772 -17.7772 -17.6911 -17.6911 -1.5285 -1.5285 -1.2537 -1.2537 -0.8836 -0.8836 -0.8585 -0.8585 -0.1796 -0.1796 -0.0952 -0.0952 0.1477 0.1477 0.1764 0.1764 0.7808 0.7808 0.8213 0.8213 1.6976 1.6976 1.7634 1.7634 3.3122 3.3122 3.3321 3.3321 3.5072 3.5072 3.5658 3.5658 3.6994 3.6994 3.7770 3.7770 4.2041 4.2041 4.3704 4.3704 4.6981 4.6981 5.2646 5.2646 11.2580 11.2580 11.4386 11.4386 14.7549 14.7549 15.4246 15.4246 k = 0.0000 0.2741 0.4979 ( 2771 PWs) bands (ev): -18.1677 -18.1677 -18.1266 -18.1266 -17.7822 -17.7822 -17.6904 -17.6904 -1.5280 -1.5280 -1.2328 -1.2328 -0.8942 -0.8942 -0.8796 -0.8796 -0.2031 -0.2031 -0.1053 -0.1053 0.1281 0.1281 0.1863 0.1863 0.8043 0.8043 0.8276 0.8276 1.6916 1.6916 1.7571 1.7571 3.3060 3.3060 3.3276 3.3276 3.5095 3.5095 3.5645 3.5645 3.6999 3.6999 3.7809 3.7809 4.1833 4.1833 4.3440 4.3440 4.7018 4.7018 5.2805 5.2805 11.3179 11.3179 11.5045 11.5045 14.7623 14.7623 15.4956 15.4956 k = 0.0000 0.2886 0.4979 ( 2769 PWs) bands (ev): -18.1625 -18.1625 -18.1199 -18.1199 -17.7874 -17.7874 -17.6898 -17.6898 -1.5283 -1.5283 -1.2116 -1.2116 -0.9050 -0.9050 -0.8990 -0.8990 -0.2284 -0.2284 -0.1158 -0.1158 0.1099 0.1099 0.1970 0.1970 0.8156 0.8156 0.8465 0.8465 1.6852 1.6852 1.7499 1.7499 3.2989 3.2989 3.3235 3.3235 3.5111 3.5111 3.5625 3.5625 3.7007 3.7007 3.7850 3.7850 4.1625 4.1625 4.3164 4.3164 4.7071 4.7071 5.2965 5.2965 11.3803 11.3803 11.5724 11.5724 14.7669 14.7669 15.5683 15.5683 k = 0.0000 0.3030 0.4979 ( 2769 PWs) bands (ev): -18.1570 -18.1570 -18.1130 -18.1130 -17.7927 -17.7927 -17.6893 -17.6893 -1.5298 -1.5298 -1.1904 -1.1904 -0.9206 -0.9206 -0.9117 -0.9117 -0.2551 -0.2551 -0.1267 -0.1267 0.0931 0.0931 0.2082 0.2082 0.8191 0.8191 0.8735 0.8735 1.6782 1.6782 1.7420 1.7420 3.2912 3.2912 3.3195 3.3195 3.5119 3.5119 3.5599 3.5599 3.7018 3.7018 3.7893 3.7893 4.1418 4.1418 4.2882 4.2882 4.7137 4.7137 5.3126 5.3126 11.4449 11.4449 11.6422 11.6422 14.7683 14.7683 15.6424 15.6424 k = 0.0000 0.3174 0.4979 ( 2769 PWs) bands (ev): -18.1512 -18.1512 -18.1060 -18.1060 -17.7983 -17.7983 -17.6888 -17.6888 -1.5327 -1.5327 -1.1693 -1.1693 -0.9378 -0.9378 -0.9204 -0.9204 -0.2827 -0.2827 -0.1379 -0.1379 0.0777 0.0777 0.2198 0.2198 0.8211 0.8211 0.9023 0.9023 1.6709 1.6709 1.7333 1.7333 3.2829 3.2829 3.3156 3.3156 3.5117 3.5117 3.5568 3.5568 3.7032 3.7032 3.7937 3.7937 4.1215 4.1215 4.2595 4.2595 4.7214 4.7214 5.3287 5.3287 11.5117 11.5117 11.7139 11.7139 14.7660 14.7660 15.7174 15.7174 k = 0.0000 0.3319 0.4979 ( 2770 PWs) bands (ev): -18.1453 -18.1453 -18.0989 -18.0989 -17.8040 -17.8040 -17.6884 -17.6884 -1.5371 -1.5371 -1.1484 -1.1484 -0.9534 -0.9534 -0.9279 -0.9279 -0.3109 -0.3109 -0.1493 -0.1493 0.0634 0.0634 0.2318 0.2318 0.8224 0.8224 0.9316 0.9316 1.6633 1.6633 1.7240 1.7240 3.2741 3.2741 3.3116 3.3116 3.5103 3.5103 3.5533 3.5533 3.7051 3.7051 3.7984 3.7984 4.1015 4.1015 4.2307 4.2307 4.7298 4.7298 5.3449 5.3449 11.5804 11.5804 11.7873 11.7873 14.7596 14.7596 15.7932 15.7932 k = 0.0000 0.3463 0.4979 ( 2772 PWs) bands (ev): -18.1391 -18.1391 -18.0917 -18.0917 -17.8100 -17.8100 -17.6881 -17.6881 -1.5434 -1.5434 -1.1281 -1.1281 -0.9668 -0.9668 -0.9343 -0.9343 -0.3393 -0.3393 -0.1611 -0.1611 0.0501 0.0501 0.2440 0.2440 0.8233 0.8233 0.9613 0.9613 1.6554 1.6554 1.7140 1.7140 3.2647 3.2647 3.3076 3.3076 3.5077 3.5077 3.5495 3.5495 3.7073 3.7073 3.8031 3.8031 4.0821 4.0821 4.2021 4.2021 4.7388 4.7388 5.3610 5.3610 11.6510 11.6510 11.8624 11.8624 14.7487 14.7487 15.8691 15.8691 k = 0.0000 0.3607 0.4979 ( 2774 PWs) bands (ev): -18.1328 -18.1328 -18.0844 -18.0844 -17.8161 -17.8161 -17.6878 -17.6878 -1.5516 -1.5516 -1.1086 -1.1086 -0.9779 -0.9779 -0.9395 -0.9395 -0.3674 -0.3674 -0.1730 -0.1730 0.0377 0.0377 0.2565 0.2565 0.8238 0.8238 0.9912 0.9912 1.6474 1.6474 1.7035 1.7035 3.2548 3.2548 3.3034 3.3034 3.5038 3.5038 3.5457 3.5457 3.7099 3.7099 3.8080 3.8080 4.0633 4.0633 4.1738 4.1738 4.7481 4.7481 5.3770 5.3770 11.7232 11.7232 11.9389 11.9389 14.7332 14.7332 15.9446 15.9446 k = 0.0000 0.3751 0.4979 ( 2770 PWs) bands (ev): -18.1263 -18.1263 -18.0771 -18.0771 -17.8225 -17.8225 -17.6875 -17.6875 -1.5617 -1.5617 -1.0904 -1.0904 -0.9864 -0.9864 -0.9431 -0.9431 -0.3950 -0.3950 -0.1852 -0.1852 0.0261 0.0261 0.2691 0.2691 0.8238 0.8238 1.0212 1.0212 1.6393 1.6393 1.6924 1.6924 3.2445 3.2445 3.2991 3.2991 3.4985 3.4985 3.5419 3.5419 3.7129 3.7129 3.8130 3.8130 4.0453 4.0453 4.1460 4.1460 4.7577 4.7577 5.3930 5.3930 11.7969 11.7969 12.0169 12.0169 14.7127 14.7127 16.0189 16.0189 k = 0.0000 0.3896 0.4979 ( 2766 PWs) bands (ev): -18.1197 -18.1197 -18.0697 -18.0697 -17.8290 -17.8290 -17.6874 -17.6874 -1.5738 -1.5738 -1.0740 -1.0740 -0.9923 -0.9923 -0.9449 -0.9449 -0.4217 -0.4217 -0.1975 -0.1975 0.0151 0.0151 0.2820 0.2820 0.8231 0.8231 1.0512 1.0512 1.6312 1.6312 1.6810 1.6810 3.2338 3.2338 3.2946 3.2946 3.4922 3.4922 3.5380 3.5380 3.7161 3.7161 3.8180 3.8180 4.0282 4.0282 4.1190 4.1190 4.7673 4.7673 5.4089 5.4089 11.8719 11.8719 12.0963 12.0963 14.6871 14.6871 16.0907 16.0907 k = 0.0000 0.4040 0.4979 ( 2768 PWs) bands (ev): -18.1129 -18.1129 -18.0624 -18.0624 -17.8357 -17.8357 -17.6872 -17.6872 -1.5876 -1.5876 -1.0603 -1.0603 -0.9957 -0.9957 -0.9443 -0.9443 -0.4472 -0.4472 -0.2099 -0.2099 0.0048 0.0048 0.2949 0.2949 0.8218 0.8218 1.0812 1.0812 1.6232 1.6232 1.6692 1.6692 3.2227 3.2227 3.2900 3.2900 3.4848 3.4848 3.5338 3.5338 3.7196 3.7196 3.8229 3.8229 4.0120 4.0120 4.0927 4.0927 4.7770 4.7770 5.4245 5.4245 11.9480 11.9480 12.1769 12.1769 14.6564 14.6564 16.1579 16.1579 k = 0.0000 0.4184 0.4979 ( 2770 PWs) bands (ev): -18.1060 -18.1060 -18.0550 -18.0550 -17.8426 -17.8426 -17.6871 -17.6871 -1.6031 -1.6031 -1.0496 -1.0496 -0.9966 -0.9966 -0.9409 -0.9409 -0.4711 -0.4711 -0.2224 -0.2224 -0.0050 -0.0050 0.3080 0.3080 0.8197 0.8197 1.1110 1.1110 1.6153 1.6153 1.6571 1.6571 3.2112 3.2112 3.2852 3.2852 3.4767 3.4767 3.5295 3.5295 3.7233 3.7233 3.8277 3.8277 3.9969 3.9969 4.0675 4.0675 4.7865 4.7865 5.4400 5.4400 12.0250 12.0250 12.2587 12.2587 14.6207 14.6207 16.2159 16.2159 k = 0.0000 0.4329 0.4979 ( 2770 PWs) bands (ev): -18.0991 -18.0991 -18.0477 -18.0477 -17.8496 -17.8496 -17.6871 -17.6871 -1.6199 -1.6199 -1.0422 -1.0422 -0.9955 -0.9955 -0.9348 -0.9348 -0.4932 -0.4932 -0.2349 -0.2349 -0.0142 -0.0142 0.3211 0.3211 0.8167 0.8167 1.1408 1.1408 1.6076 1.6076 1.6448 1.6448 3.1994 3.1994 3.2802 3.2802 3.4680 3.4680 3.5250 3.5250 3.7271 3.7271 3.8323 3.8323 3.9830 3.9830 4.0433 4.0433 4.7957 4.7957 5.4553 5.4553 12.1026 12.1026 12.3416 12.3416 14.5799 14.5799 16.2556 16.2556 k = 0.0000 0.4473 0.4979 ( 2772 PWs) bands (ev): -18.0921 -18.0921 -18.0405 -18.0405 -17.8568 -17.8568 -17.6871 -17.6871 -1.6379 -1.6379 -1.0379 -1.0379 -0.9923 -0.9923 -0.9265 -0.9265 -0.5133 -0.5133 -0.2474 -0.2474 -0.0227 -0.0227 0.3343 0.3343 0.8127 0.8127 1.1704 1.1704 1.6002 1.6002 1.6324 1.6324 3.1874 3.1874 3.2751 3.2751 3.4591 3.4591 3.5201 3.5201 3.7308 3.7308 3.8365 3.8365 3.9704 3.9704 4.0204 4.0204 4.8046 4.8046 5.4703 5.4703 12.1807 12.1807 12.4256 12.4256 14.5345 14.5345 16.2615 16.2615 k = 0.0000 0.4617 0.4979 ( 2768 PWs) bands (ev): -18.0850 -18.0850 -18.0333 -18.0333 -17.8642 -17.8642 -17.6871 -17.6871 -1.6567 -1.6567 -1.0360 -1.0360 -0.9876 -0.9876 -0.9169 -0.9169 -0.5311 -0.5311 -0.2598 -0.2598 -0.0306 -0.0306 0.3475 0.3475 0.8079 0.8079 1.1997 1.1997 1.5931 1.5931 1.6200 1.6200 3.1750 3.1750 3.2699 3.2699 3.4500 3.4500 3.5151 3.5151 3.7345 3.7345 3.8402 3.8402 3.9592 3.9592 3.9989 3.9989 4.8132 4.8132 5.4850 5.4850 12.2589 12.2589 12.5105 12.5105 14.4847 14.4847 16.2265 16.2265 k = 0.0000 0.4761 0.4979 ( 2771 PWs) bands (ev): -18.0780 -18.0780 -18.0263 -18.0263 -17.8716 -17.8716 -17.6872 -17.6872 -1.6760 -1.6760 -1.0357 -1.0357 -0.9815 -0.9815 -0.9069 -0.9069 -0.5464 -0.5464 -0.2721 -0.2721 -0.0378 -0.0378 0.3608 0.3608 0.8020 0.8020 1.2286 1.2286 1.5863 1.5863 1.6077 1.6077 3.1624 3.1624 3.2645 3.2645 3.4408 3.4408 3.5098 3.5098 3.7380 3.7380 3.8432 3.8432 3.9495 3.9495 3.9789 3.9789 4.8212 4.8212 5.4994 5.4994 12.3370 12.3370 12.5964 12.5964 14.4309 14.4309 16.1631 16.1631 k = 0.0000 0.4906 0.4979 ( 2774 PWs) bands (ev): -18.0711 -18.0711 -18.0193 -18.0193 -17.8791 -17.8791 -17.6873 -17.6873 -1.6957 -1.6957 -1.0366 -1.0366 -0.9744 -0.9744 -0.8973 -0.8973 -0.5591 -0.5591 -0.2841 -0.2841 -0.0442 -0.0442 0.3739 0.3739 0.7951 0.7951 1.2572 1.2572 1.5799 1.5799 1.5957 1.5957 3.1497 3.1497 3.2591 3.2591 3.4317 3.4317 3.5043 3.5043 3.7412 3.7412 3.8453 3.8453 3.9413 3.9413 3.9607 3.9607 4.8287 4.8287 5.5134 5.5134 12.4145 12.4145 12.6831 12.6831 14.3737 14.3737 16.0858 16.0858 k = 0.0000 0.5050 0.4979 ( 2779 PWs) bands (ev): -18.0642 -18.0642 -18.0125 -18.0125 -17.8867 -17.8867 -17.6874 -17.6874 -1.7153 -1.7153 -1.0382 -1.0382 -0.9664 -0.9664 -0.8888 -0.8888 -0.5691 -0.5691 -0.2957 -0.2957 -0.0498 -0.0498 0.3869 0.3869 0.7872 0.7872 1.2852 1.2852 1.5736 1.5736 1.5840 1.5840 3.1368 3.1368 3.2537 3.2537 3.4228 3.4228 3.4988 3.4988 3.7442 3.7442 3.8463 3.8463 3.9341 3.9341 3.9449 3.9449 4.8355 4.8355 5.5271 5.5271 12.4909 12.4909 12.7706 12.7706 14.3136 14.3136 16.0022 16.0022 k = 0.0000 0.5194 0.4979 ( 2777 PWs) bands (ev): -18.0575 -18.0575 -18.0058 -18.0058 -17.8943 -17.8943 -17.6875 -17.6875 -1.7348 -1.7348 -1.0402 -1.0402 -0.9580 -0.9580 -0.8814 -0.8814 -0.5764 -0.5764 -0.3069 -0.3069 -0.0544 -0.0544 0.3998 0.3998 0.7784 0.7784 1.3126 1.3126 1.5674 1.5674 1.5732 1.5732 3.1238 3.1238 3.2482 3.2482 3.4143 3.4143 3.4932 3.4932 3.7467 3.7467 3.8462 3.8462 3.9251 3.9251 3.9347 3.9347 4.8418 4.8418 5.5403 5.5403 12.5658 12.5658 12.8588 12.8588 14.2515 14.2515 15.9159 15.9159 k = 0.0000 0.5339 0.4979 ( 2778 PWs) bands (ev): -18.0511 -18.0511 -17.9994 -17.9994 -17.9018 -17.9018 -17.6877 -17.6877 -1.7540 -1.7540 -1.0425 -1.0425 -0.9493 -0.9493 -0.8754 -0.8754 -0.5812 -0.5812 -0.3175 -0.3175 -0.0581 -0.0581 0.4124 0.4124 0.7687 0.7687 1.3392 1.3392 1.5598 1.5598 1.5646 1.5646 3.1109 3.1109 3.2428 3.2428 3.4062 3.4062 3.4877 3.4877 3.7488 3.7488 3.8449 3.8449 3.9134 3.9134 3.9307 3.9307 4.8473 4.8473 5.5531 5.5531 12.6382 12.6382 12.9478 12.9478 14.1883 14.1883 15.8286 15.8286 k = 0.0000 0.5483 0.4979 ( 2778 PWs) bands (ev): -18.0450 -18.0450 -17.9931 -17.9931 -17.9090 -17.9090 -17.6879 -17.6879 -1.7725 -1.7725 -1.0448 -1.0448 -0.9406 -0.9406 -0.8708 -0.8708 -0.5839 -0.5839 -0.3274 -0.3274 -0.0607 -0.0607 0.4246 0.4246 0.7583 0.7583 1.3647 1.3647 1.5509 1.5509 1.5587 1.5587 3.0979 3.0979 3.2375 3.2375 3.3986 3.3986 3.4823 3.4823 3.7505 3.7505 3.8425 3.8425 3.9028 3.9028 3.9292 3.9292 4.8520 4.8520 5.5655 5.5655 12.7072 12.7072 13.0373 13.0373 14.1253 14.1253 15.7411 15.7411 k = 0.0000 0.5627 0.4979 ( 2772 PWs) bands (ev): -18.0395 -18.0395 -17.9871 -17.9871 -17.9160 -17.9160 -17.6880 -17.6880 -1.7904 -1.7904 -1.0472 -1.0472 -0.9323 -0.9323 -0.8672 -0.8672 -0.5847 -0.5847 -0.3364 -0.3364 -0.0622 -0.0622 0.4364 0.4364 0.7473 0.7473 1.3887 1.3887 1.5426 1.5426 1.5538 1.5538 3.0851 3.0851 3.2323 3.2323 3.3915 3.3915 3.4772 3.4772 3.7518 3.7518 3.8393 3.8393 3.8939 3.8939 3.9290 3.9290 4.8560 4.8560 5.5773 5.5773 12.7714 12.7714 13.1274 13.1274 14.0640 14.0640 15.6540 15.6540 k = 0.0000 0.5771 0.4979 ( 2770 PWs) bands (ev): -18.0347 -18.0347 -17.9813 -17.9813 -17.9224 -17.9224 -17.6882 -17.6882 -1.8075 -1.8075 -1.0495 -1.0495 -0.9245 -0.9245 -0.8646 -0.8646 -0.5840 -0.5840 -0.3445 -0.3445 -0.0626 -0.0626 0.4475 0.4475 0.7359 0.7359 1.4105 1.4105 1.5361 1.5361 1.5494 1.5494 3.0723 3.0723 3.2272 3.2272 3.3849 3.3849 3.4723 3.4723 3.7526 3.7526 3.8356 3.8356 3.8869 3.8869 3.9298 3.9298 4.8591 4.8591 5.5887 5.5887 12.8290 12.8290 13.2179 13.2179 14.0064 14.0064 15.5677 15.5677 k = 0.0000 0.5916 0.4979 ( 2766 PWs) bands (ev): -18.0308 -18.0308 -17.9757 -17.9757 -17.9280 -17.9280 -17.6884 -17.6884 -1.8237 -1.8237 -1.0516 -1.0516 -0.9175 -0.9175 -0.8625 -0.8625 -0.5823 -0.5823 -0.3514 -0.3514 -0.0619 -0.0619 0.4579 0.4579 0.7243 0.7243 1.4290 1.4290 1.5321 1.5321 1.5458 1.5458 3.0598 3.0598 3.2224 3.2224 3.3790 3.3790 3.4678 3.4678 3.7531 3.7531 3.8319 3.8319 3.8816 3.8816 3.9311 3.9311 4.8615 4.8615 5.5995 5.5995 12.8774 12.8774 13.3088 13.3088 13.9553 13.9553 15.4824 15.4824 k = 0.0000 0.6060 0.4979 ( 2766 PWs) bands (ev): -18.0283 -18.0283 -17.9705 -17.9705 -17.9325 -17.9325 -17.6886 -17.6886 -1.8389 -1.8389 -1.0534 -1.0534 -0.9115 -0.9115 -0.8609 -0.8609 -0.5799 -0.5799 -0.3571 -0.3571 -0.0601 -0.0601 0.4673 0.4673 0.7127 0.7127 1.4427 1.4427 1.5310 1.5310 1.5442 1.5442 3.0477 3.0477 3.2179 3.2179 3.3737 3.3737 3.4636 3.4636 3.7533 3.7533 3.8283 3.8283 3.8777 3.8777 3.9328 3.9328 4.8629 4.8629 5.6098 5.6098 12.9136 12.9136 13.4000 13.4000 13.9138 13.9138 15.3984 15.3984 k = 0.0000 0.6204 0.4979 ( 2767 PWs) bands (ev): -18.0273 -18.0273 -17.9655 -17.9655 -17.9356 -17.9356 -17.6887 -17.6887 -1.8530 -1.8530 -1.0550 -1.0550 -0.9066 -0.9066 -0.8595 -0.8595 -0.5770 -0.5770 -0.3614 -0.3614 -0.0573 -0.0573 0.4755 0.4755 0.7013 0.7013 1.4507 1.4507 1.5302 1.5302 1.5482 1.5482 3.0358 3.0358 3.2136 3.2136 3.3689 3.3689 3.4599 3.4599 3.7533 3.7533 3.8254 3.8254 3.8750 3.8750 3.9345 3.9345 4.8634 4.8634 5.6196 5.6196 12.9342 12.9342 13.4913 13.4913 13.8854 13.8854 15.3158 15.3158 k = 0.0000 0.6349 0.4979 ( 2771 PWs) bands (ev): -18.0283 -18.0283 -17.9608 -17.9608 -17.9370 -17.9370 -17.6888 -17.6888 -1.8660 -1.8660 -1.0562 -1.0562 -0.9031 -0.9031 -0.8581 -0.8581 -0.5738 -0.5738 -0.3642 -0.3642 -0.0535 -0.0535 0.4821 0.4821 0.6906 0.6906 1.4535 1.4535 1.5276 1.5276 1.5590 1.5590 3.0244 3.0244 3.2097 3.2097 3.3649 3.3649 3.4567 3.4567 3.7533 3.7533 3.8233 3.8233 3.8733 3.8733 3.9362 3.9362 4.8630 4.8630 5.6287 5.6287 12.9367 12.9367 13.5823 13.5823 13.8729 13.8729 15.2348 15.2348 k = 0.0000 0.6349 0.4979 ( 2771 PWs) bands (ev): -18.0283 -18.0283 -17.9608 -17.9608 -17.9370 -17.9370 -17.6888 -17.6888 -1.8660 -1.8660 -1.0562 -1.0562 -0.9031 -0.9031 -0.8581 -0.8581 -0.5738 -0.5738 -0.3642 -0.3642 -0.0535 -0.0535 0.4821 0.4821 0.6906 0.6906 1.4535 1.4535 1.5276 1.5276 1.5590 1.5590 3.0244 3.0244 3.2097 3.2097 3.3649 3.3649 3.4567 3.4567 3.7533 3.7533 3.8233 3.8233 3.8733 3.8733 3.9362 3.9362 4.8630 4.8630 5.6287 5.6287 12.9367 12.9367 13.5823 13.5823 13.8729 13.8729 15.2348 15.2348 k = 0.0000 0.6365 0.4840 ( 2766 PWs) bands (ev): -18.0269 -18.0269 -17.9641 -17.9641 -17.9349 -17.9349 -17.6891 -17.6891 -1.8534 -1.8534 -1.0622 -1.0622 -0.9099 -0.9099 -0.8733 -0.8733 -0.5457 -0.5457 -0.3609 -0.3609 -0.0600 -0.0600 0.4862 0.4862 0.6955 0.6955 1.4532 1.4532 1.5160 1.5160 1.5330 1.5330 3.0416 3.0416 3.2191 3.2191 3.3673 3.3673 3.4586 3.4586 3.7547 3.7547 3.8251 3.8251 3.8739 3.8739 3.9349 3.9349 4.8568 4.8568 5.6105 5.6105 12.9451 12.9451 13.5172 13.5172 13.8935 13.8935 15.3125 15.3125 k = 0.0000 0.6381 0.4701 ( 2768 PWs) bands (ev): -18.0264 -18.0264 -17.9674 -17.9674 -17.9318 -17.9318 -17.6894 -17.6894 -1.8397 -1.8397 -1.0697 -1.0697 -0.9178 -0.9178 -0.8862 -0.8862 -0.5169 -0.5169 -0.3567 -0.3567 -0.0665 -0.0665 0.4903 0.4903 0.7004 0.7004 1.4512 1.4512 1.4950 1.4950 1.5144 1.5144 3.0597 3.0597 3.2294 3.2294 3.3699 3.3699 3.4606 3.4606 3.7562 3.7562 3.8275 3.8275 3.8748 3.8748 3.9335 3.9335 4.8492 4.8492 5.5902 5.5902 12.9456 12.9456 13.4539 13.4539 13.9243 13.9243 15.3921 15.3921 k = 0.0000 0.6397 0.4561 ( 2770 PWs) bands (ev): -18.0266 -18.0266 -17.9709 -17.9709 -17.9278 -17.9278 -17.6898 -17.6898 -1.8249 -1.8249 -1.0788 -1.0788 -0.9268 -0.9268 -0.8967 -0.8967 -0.4874 -0.4874 -0.3515 -0.3515 -0.0730 -0.0730 0.4943 0.4943 0.7054 0.7054 1.4421 1.4421 1.4727 1.4727 1.5013 1.5013 3.0786 3.0786 3.2405 3.2405 3.3728 3.3728 3.4630 3.4630 3.7579 3.7579 3.8304 3.8304 3.8761 3.8761 3.9323 3.9323 4.8402 4.8402 5.5680 5.5680 12.9391 12.9391 13.3924 13.3924 13.9644 13.9644 15.4734 15.4734 k = 0.0000 0.6414 0.4422 ( 2772 PWs) bands (ev): -18.0275 -18.0275 -17.9745 -17.9745 -17.9229 -17.9229 -17.6903 -17.6903 -1.8091 -1.8091 -1.0894 -1.0894 -0.9367 -0.9367 -0.9047 -0.9047 -0.4575 -0.4575 -0.3456 -0.3456 -0.0792 -0.0792 0.4983 0.4983 0.7103 0.7103 1.4165 1.4165 1.4638 1.4638 1.4883 1.4883 3.0982 3.0982 3.2522 3.2522 3.3758 3.3758 3.4656 3.4656 3.7595 3.7595 3.8337 3.8337 3.8781 3.8781 3.9311 3.9311 4.8298 4.8298 5.5439 5.5439 12.9269 12.9269 13.3329 13.3329 14.0123 14.0123 15.5559 15.5559 k = 0.0000 0.6430 0.4283 ( 2769 PWs) bands (ev): -18.0289 -18.0289 -17.9781 -17.9781 -17.9174 -17.9174 -17.6908 -17.6908 -1.7924 -1.7924 -1.1013 -1.1013 -0.9472 -0.9472 -0.9104 -0.9104 -0.4274 -0.4274 -0.3389 -0.3389 -0.0851 -0.0851 0.5019 0.5019 0.7150 0.7150 1.3826 1.3826 1.4614 1.4614 1.4749 1.4749 3.1183 3.1183 3.2643 3.2643 3.3791 3.3791 3.4686 3.4686 3.7611 3.7611 3.8373 3.8373 3.8807 3.8807 3.9304 3.9304 4.8182 4.8182 5.5180 5.5180 12.9102 12.9102 13.2754 13.2754 14.0667 14.0667 15.6395 15.6395 k = 0.0000 0.6446 0.4143 ( 2772 PWs) bands (ev): -18.0306 -18.0306 -17.9819 -17.9819 -17.9114 -17.9114 -17.6914 -17.6914 -1.7747 -1.7747 -1.1143 -1.1143 -0.9584 -0.9584 -0.9142 -0.9142 -0.3973 -0.3973 -0.3315 -0.3315 -0.0905 -0.0905 0.5052 0.5052 0.7194 0.7194 1.3460 1.3460 1.4591 1.4591 1.4623 1.4623 3.1386 3.1386 3.2765 3.2765 3.3827 3.3827 3.4721 3.4721 3.7625 3.7625 3.8411 3.8411 3.8842 3.8842 3.9300 3.9300 4.8053 4.8053 5.4903 5.4903 12.8903 12.8903 13.2201 13.2201 14.1264 14.1264 15.7238 15.7238 k = 0.0000 0.6463 0.4004 ( 2770 PWs) bands (ev): -18.0326 -18.0326 -17.9856 -17.9856 -17.9050 -17.9050 -17.6922 -17.6922 -1.7562 -1.7562 -1.1280 -1.1280 -0.9700 -0.9700 -0.9165 -0.9165 -0.3675 -0.3675 -0.3232 -0.3232 -0.0952 -0.0952 0.5081 0.5081 0.7235 0.7235 1.3079 1.3079 1.4463 1.4463 1.4601 1.4601 3.1592 3.1592 3.2888 3.2888 3.3864 3.3864 3.4760 3.4760 3.7637 3.7637 3.8447 3.8447 3.8887 3.8887 3.9303 3.9303 4.7912 4.7912 5.4609 5.4609 12.8680 12.8680 13.1669 13.1669 14.1903 14.1903 15.8084 15.8084 k = 0.0000 0.6479 0.3865 ( 2772 PWs) bands (ev): -18.0347 -18.0347 -17.9895 -17.9895 -17.8983 -17.8983 -17.6930 -17.6930 -1.7369 -1.7369 -1.1420 -1.1420 -0.9819 -0.9819 -0.9177 -0.9177 -0.3392 -0.3392 -0.3133 -0.3133 -0.0991 -0.0991 0.5103 0.5103 0.7271 0.7271 1.2689 1.2689 1.4321 1.4321 1.4592 1.4592 3.1798 3.1798 3.3008 3.3008 3.3904 3.3904 3.4806 3.4806 3.7645 3.7645 3.8478 3.8478 3.8944 3.8944 3.9315 3.9315 4.7761 4.7761 5.4300 5.4300 12.8443 12.8443 13.1160 13.1160 14.2575 14.2575 15.8927 15.8927 k = 0.0000 0.6495 0.3725 ( 2772 PWs) bands (ev): -18.0369 -18.0369 -17.9933 -17.9933 -17.8914 -17.8914 -17.6940 -17.6940 -1.7168 -1.7168 -1.1562 -1.1562 -0.9940 -0.9940 -0.9180 -0.9180 -0.3164 -0.3164 -0.2979 -0.2979 -0.1017 -0.1017 0.5119 0.5119 0.7300 0.7300 1.2293 1.2293 1.4179 1.4179 1.4583 1.4583 3.2003 3.2003 3.3123 3.3123 3.3946 3.3946 3.4860 3.4860 3.7648 3.7648 3.8502 3.8502 3.9014 3.9014 3.9338 3.9338 4.7600 4.7600 5.3975 5.3975 12.8198 12.8198 13.0672 13.0672 14.3273 14.3273 15.9759 15.9759 k = 0.0000 0.6511 0.3586 ( 2770 PWs) bands (ev): -18.0392 -18.0392 -17.9971 -17.9971 -17.8843 -17.8843 -17.6951 -17.6951 -1.6961 -1.6961 -1.1703 -1.1703 -1.0059 -1.0059 -0.9178 -0.9178 -0.3029 -0.3029 -0.2739 -0.2739 -0.1027 -0.1027 0.5126 0.5126 0.7323 0.7323 1.1894 1.1894 1.4041 1.4041 1.4571 1.4571 3.2207 3.2207 3.3232 3.3232 3.3988 3.3988 3.4922 3.4922 3.7647 3.7647 3.8518 3.8518 3.9096 3.9096 3.9376 3.9376 4.7430 4.7430 5.3637 5.3637 12.7951 12.7951 13.0207 13.0207 14.3989 14.3989 16.0572 16.0572 k = 0.0000 0.6528 0.3447 ( 2768 PWs) bands (ev): -18.0414 -18.0414 -18.0009 -18.0009 -17.8772 -17.8772 -17.6964 -17.6964 -1.6748 -1.6748 -1.1841 -1.1841 -1.0178 -1.0178 -0.9174 -0.9174 -0.2924 -0.2924 -0.2482 -0.2482 -0.1015 -0.1015 0.5125 0.5125 0.7337 0.7337 1.1494 1.1494 1.3909 1.3909 1.4556 1.4556 3.2407 3.2407 3.3335 3.3335 3.4032 3.4032 3.4994 3.4994 3.7641 3.7641 3.8524 3.8524 3.9188 3.9188 3.9432 3.9432 4.7252 4.7252 5.3286 5.3286 12.7704 12.7704 12.9764 12.9764 14.4720 14.4720 16.1350 16.1350 k = 0.0000 0.6544 0.3307 ( 2766 PWs) bands (ev): -18.0436 -18.0436 -18.0047 -18.0047 -17.8699 -17.8699 -17.6978 -17.6978 -1.6531 -1.6531 -1.1976 -1.1976 -1.0294 -1.0294 -0.9170 -0.9170 -0.2824 -0.2824 -0.2242 -0.2242 -0.0971 -0.0971 0.5112 0.5112 0.7343 0.7343 1.1095 1.1095 1.3786 1.3786 1.4538 1.4538 3.2603 3.2603 3.3429 3.3429 3.4075 3.4075 3.5076 3.5076 3.7629 3.7629 3.8519 3.8519 3.9288 3.9288 3.9508 3.9508 4.7068 4.7068 5.2924 5.2924 12.7462 12.7462 12.9344 12.9344 14.5459 14.5459 16.2070 16.2070 k = 0.0000 0.6560 0.3168 ( 2768 PWs) bands (ev): -18.0456 -18.0456 -18.0085 -18.0085 -17.8627 -17.8627 -17.6993 -17.6993 -1.6310 -1.6310 -1.2106 -1.2106 -1.0405 -1.0405 -0.9169 -0.9169 -0.2724 -0.2724 -0.2036 -0.2036 -0.0885 -0.0885 0.5088 0.5088 0.7339 0.7339 1.0699 1.0699 1.3673 1.3673 1.4517 1.4517 3.2791 3.2791 3.3517 3.3517 3.4118 3.4118 3.5167 3.5167 3.7612 3.7612 3.8506 3.8506 3.9390 3.9390 3.9609 3.9609 4.6879 4.6879 5.2550 5.2550 12.7228 12.7228 12.8946 12.8946 14.6205 14.6205 16.2702 16.2702 k = 0.0000 0.6577 0.3029 ( 2773 PWs) bands (ev): -18.0476 -18.0476 -18.0122 -18.0122 -17.8554 -17.8554 -17.7010 -17.7010 -1.6087 -1.6087 -1.2230 -1.2230 -1.0511 -1.0511 -0.9173 -0.9173 -0.2622 -0.2622 -0.1872 -0.1872 -0.0749 -0.0749 0.5051 0.5051 0.7326 0.7326 1.0309 1.0309 1.3573 1.3573 1.4492 1.4492 3.2971 3.2971 3.3600 3.3600 3.4159 3.4159 3.5267 3.5267 3.7589 3.7589 3.8485 3.8485 3.9494 3.9494 3.9734 3.9734 4.6687 4.6687 5.2167 5.2167 12.7002 12.7002 12.8570 12.8570 14.6954 14.6954 16.3203 16.3203 k = 0.0000 0.6593 0.2889 ( 2769 PWs) bands (ev): -18.0494 -18.0494 -18.0158 -18.0158 -17.8482 -17.8482 -17.7029 -17.7029 -1.5863 -1.5863 -1.2349 -1.2349 -1.0609 -1.0609 -0.9183 -0.9183 -0.2519 -0.2519 -0.1751 -0.1751 -0.0564 -0.0564 0.5000 0.5000 0.7303 0.7303 0.9927 0.9927 1.3486 1.3486 1.4464 1.4464 3.3137 3.3137 3.3680 3.3680 3.4203 3.4203 3.5374 3.5374 3.7562 3.7562 3.8457 3.8457 3.9600 3.9600 3.9881 3.9881 4.6492 4.6492 5.1775 5.1775 12.6788 12.6788 12.8216 12.8216 14.7702 14.7702 16.3532 16.3532 k = 0.0000 0.6609 0.2750 ( 2771 PWs) bands (ev): -18.0511 -18.0511 -18.0194 -18.0194 -17.8410 -17.8410 -17.7050 -17.7050 -1.5640 -1.5640 -1.2461 -1.2461 -1.0700 -1.0700 -0.9200 -0.9200 -0.2415 -0.2415 -0.1661 -0.1661 -0.0344 -0.0344 0.4935 0.4935 0.7271 0.7271 0.9555 0.9555 1.3413 1.3413 1.4431 1.4431 3.3286 3.3286 3.3758 3.3758 3.4250 3.4250 3.5485 3.5485 3.7531 3.7531 3.8423 3.8423 3.9711 3.9711 4.0045 4.0045 4.6298 4.6298 5.1376 5.1376 12.6586 12.6586 12.7883 12.7883 14.8449 14.8449 16.3669 16.3669 k = 0.0000 0.6626 0.2611 ( 2777 PWs) bands (ev): -18.0526 -18.0526 -18.0228 -18.0228 -17.8340 -17.8340 -17.7072 -17.7072 -1.5419 -1.5419 -1.2567 -1.2567 -1.0780 -1.0780 -0.9226 -0.9226 -0.2310 -0.2310 -0.1590 -0.1590 -0.0102 -0.0102 0.4855 0.4855 0.7231 0.7231 0.9194 0.9194 1.3355 1.3355 1.4395 1.4395 3.3414 3.3414 3.3835 3.3835 3.4305 3.4305 3.5599 3.5599 3.7496 3.7496 3.8384 3.8384 3.9826 3.9826 4.0223 4.0223 4.6105 4.6105 5.0971 5.0971 12.6397 12.6397 12.7573 12.7573 14.9190 14.9190 16.3629 16.3629 k = 0.0000 0.6642 0.2471 ( 2774 PWs) bands (ev): -18.0540 -18.0540 -18.0262 -18.0262 -17.8269 -17.8269 -17.7096 -17.7096 -1.5201 -1.5201 -1.2666 -1.2666 -1.0849 -1.0849 -0.9262 -0.9262 -0.2203 -0.2203 -0.1528 -0.1528 0.0152 0.0152 0.4761 0.4761 0.7182 0.7182 0.8849 0.8849 1.3313 1.3313 1.4356 1.4356 3.3520 3.3520 3.3908 3.3908 3.4376 3.4376 3.5712 3.5712 3.7458 3.7458 3.8340 3.8340 3.9948 3.9948 4.0411 4.0411 4.5918 4.5918 5.0562 5.0562 12.6223 12.6223 12.7284 12.7284 14.9926 14.9926 16.3453 16.3453 k = 0.0000 0.6658 0.2332 ( 2780 PWs) bands (ev): -18.0551 -18.0551 -18.0294 -18.0294 -17.8201 -17.8201 -17.7122 -17.7122 -1.4990 -1.4990 -1.2759 -1.2759 -1.0905 -1.0905 -0.9308 -0.9308 -0.2096 -0.2096 -0.1471 -0.1471 0.0410 0.0410 0.4652 0.4652 0.7127 0.7127 0.8520 0.8520 1.3285 1.3285 1.4312 1.4312 3.3604 3.3604 3.3967 3.3967 3.4467 3.4467 3.5821 3.5821 3.7420 3.7420 3.8293 3.8293 4.0074 4.0074 4.0605 4.0605 4.5739 4.5739 5.0149 5.0149 12.6063 12.6063 12.7016 12.7016 15.0654 15.0654 16.3178 16.3178 k = 0.0000 0.6674 0.2193 ( 2779 PWs) bands (ev): -18.0561 -18.0561 -18.0325 -18.0325 -17.8133 -17.8133 -17.7151 -17.7151 -1.4786 -1.4786 -1.2846 -1.2846 -1.0947 -1.0947 -0.9365 -0.9365 -0.1988 -0.1988 -0.1415 -0.1415 0.0667 0.0667 0.4529 0.4529 0.7067 0.7067 0.8212 0.8212 1.3272 1.3272 1.4265 1.4265 3.3672 3.3672 3.4012 3.4012 3.4579 3.4579 3.5924 3.5924 3.7383 3.7383 3.8242 3.8242 4.0207 4.0207 4.0804 4.0804 4.5572 4.5572 4.9735 4.9735 12.5919 12.5919 12.6770 12.6770 15.1373 15.1373 16.2835 16.2835 k = 0.0000 0.6691 0.2053 ( 2782 PWs) bands (ev): -18.0569 -18.0569 -18.0354 -18.0354 -17.8067 -17.8067 -17.7181 -17.7181 -1.4593 -1.4593 -1.2926 -1.2926 -1.0973 -1.0973 -0.9434 -0.9434 -0.1881 -0.1881 -0.1360 -0.1360 0.0919 0.0919 0.4394 0.4394 0.7003 0.7003 0.7925 0.7925 1.3271 1.3271 1.4215 1.4215 3.3728 3.3728 3.4041 3.4041 3.4706 3.4706 3.6016 3.6016 3.7349 3.7349 3.8188 3.8188 4.0344 4.0344 4.0999 4.0999 4.5422 4.5422 4.9320 4.9320 12.5791 12.5791 12.6544 12.6544 15.2082 15.2082 16.2444 16.2444 k = 0.0000 0.6707 0.1914 ( 2788 PWs) bands (ev): -18.0575 -18.0575 -18.0382 -18.0382 -17.8002 -17.8002 -17.7213 -17.7213 -1.4412 -1.4412 -1.3001 -1.3001 -1.0981 -1.0981 -0.9513 -0.9513 -0.1776 -0.1776 -0.1306 -0.1306 0.1166 0.1166 0.4248 0.4248 0.6937 0.6937 0.7662 0.7662 1.3283 1.3283 1.4161 1.4161 3.3775 3.3775 3.4059 3.4059 3.4844 3.4844 3.6092 3.6092 3.7322 3.7322 3.8131 3.8131 4.0484 4.0484 4.1187 4.1187 4.5296 4.5296 4.8907 4.8907 12.5679 12.5679 12.6339 12.6339 15.2779 15.2779 16.2017 16.2017 k = 0.0000 0.6723 0.1775 ( 2788 PWs) bands (ev): -18.0578 -18.0578 -18.0409 -18.0409 -17.7938 -17.7938 -17.7247 -17.7247 -1.4246 -1.4246 -1.3071 -1.3071 -1.0971 -1.0971 -0.9602 -0.9602 -0.1673 -0.1673 -0.1255 -0.1255 0.1404 0.1404 0.4092 0.4092 0.6870 0.6870 0.7426 0.7426 1.3306 1.3306 1.4104 1.4104 3.3816 3.3816 3.4069 3.4069 3.4985 3.4985 3.6149 3.6149 3.7306 3.7306 3.8071 3.8071 4.0628 4.0628 4.1359 4.1359 4.5201 4.5201 4.8498 4.8498 12.5584 12.5584 12.6154 12.6154 15.3464 15.3464 16.1563 16.1563 k = 0.0000 0.6740 0.1636 ( 2792 PWs) bands (ev): -18.0580 -18.0580 -18.0434 -18.0434 -17.7877 -17.7877 -17.7283 -17.7283 -1.4094 -1.4094 -1.3136 -1.3136 -1.0941 -1.0941 -0.9702 -0.9702 -0.1574 -0.1574 -0.1209 -0.1209 0.1635 0.1635 0.3928 0.3928 0.6804 0.6804 0.7219 0.7219 1.3338 1.3338 1.4045 1.4045 3.3853 3.3853 3.4071 3.4071 3.5128 3.5128 3.6183 3.6183 3.7304 3.7304 3.8008 3.8008 4.0774 4.0774 4.1506 4.1506 4.5147 4.5147 4.8094 4.8094 12.5506 12.5506 12.5989 12.5989 15.4136 15.4136 16.1086 16.1086 k = 0.0000 0.6756 0.1496 ( 2792 PWs) bands (ev): -18.0579 -18.0579 -18.0457 -18.0457 -17.7817 -17.7817 -17.7321 -17.7321 -1.3959 -1.3959 -1.3198 -1.3198 -1.0892 -1.0892 -0.9809 -0.9809 -0.1480 -0.1480 -0.1170 -0.1170 0.1856 0.1856 0.3758 0.3758 0.6743 0.6743 0.7043 0.7043 1.3378 1.3378 1.3983 1.3983 3.3885 3.3885 3.4069 3.4069 3.5268 3.5268 3.6190 3.6190 3.7319 3.7319 3.7942 3.7942 4.0920 4.0920 4.1619 4.1619 4.5142 4.5142 4.7698 4.7698 12.5446 12.5446 12.5844 12.5844 15.4795 15.4795 16.0591 16.0591 k = 0.0000 0.6772 0.1357 ( 2794 PWs) bands (ev): -18.0576 -18.0576 -18.0478 -18.0478 -17.7758 -17.7758 -17.7362 -17.7362 -1.3840 -1.3840 -1.3256 -1.3256 -1.0824 -1.0824 -0.9924 -0.9924 -0.1394 -0.1394 -0.1141 -0.1141 0.2069 0.2069 0.3583 0.3583 0.6689 0.6689 0.6897 0.6897 1.3426 1.3426 1.3920 1.3920 3.3915 3.3915 3.4063 3.4063 3.5405 3.5405 3.6171 3.6171 3.7351 3.7351 3.7874 3.7874 4.1065 4.1065 4.1692 4.1692 4.5193 4.5193 4.7313 4.7313 12.5403 12.5403 12.5719 12.5719 15.5439 15.5439 16.0078 16.0078 k = 0.0000 0.6788 0.1218 ( 2788 PWs) bands (ev): -18.0571 -18.0571 -18.0497 -18.0497 -17.7702 -17.7702 -17.7404 -17.7404 -1.3735 -1.3735 -1.3314 -1.3314 -1.0740 -1.0740 -1.0044 -1.0044 -0.1316 -0.1316 -0.1123 -0.1123 0.2275 0.2275 0.3405 0.3405 0.6645 0.6645 0.6782 0.6782 1.3478 1.3478 1.3855 1.3855 3.3942 3.3942 3.4053 3.4053 3.5536 3.5536 3.6128 3.6128 3.7398 3.7398 3.7805 3.7805 4.1206 4.1206 4.1720 4.1720 4.5304 4.5304 4.6943 4.6943 12.5378 12.5378 12.5614 12.5614 15.6070 15.6070 15.9550 15.9550 k = 0.0000 0.6805 0.1078 ( 2785 PWs) bands (ev): -18.0564 -18.0564 -18.0515 -18.0515 -17.7647 -17.7647 -17.7449 -17.7449 -1.3645 -1.3645 -1.3371 -1.3371 -1.0642 -1.0642 -1.0168 -1.0168 -0.1249 -0.1249 -0.1119 -0.1119 0.2473 0.2473 0.3224 0.3224 0.6615 0.6615 0.6697 0.6697 1.3536 1.3536 1.3790 1.3790 3.3966 3.3966 3.4040 3.4040 3.5661 3.5661 3.6063 3.6063 3.7455 3.7455 3.7733 3.7733 4.1340 4.1340 4.1705 4.1705 4.5473 4.5473 4.6590 4.6590 12.5371 12.5371 12.5527 12.5527 15.6686 15.6686 15.9006 15.9006 k = 0.0000 0.6821 0.0939 ( 2788 PWs) bands (ev): -18.0555 -18.0555 -18.0530 -18.0530 -17.7595 -17.7595 -17.7495 -17.7495 -1.3565 -1.3565 -1.3431 -1.3431 -1.0532 -1.0532 -1.0292 -1.0292 -0.1195 -0.1195 -0.1130 -0.1130 0.2666 0.2666 0.3041 0.3041 0.6602 0.6602 0.6640 0.6640 1.3597 1.3597 1.3725 1.3725 3.3988 3.3988 3.4025 3.4025 3.5778 3.5778 3.5981 3.5981 3.7520 3.7520 3.7661 3.7661 4.1463 4.1463 4.1652 4.1652 4.5694 4.5694 4.6260 4.6260 12.5382 12.5382 12.5460 12.5460 15.7288 15.7288 15.8448 15.8448 k = 0.0000 0.6837 0.0800 ( 2788 PWs) bands (ev): -18.0543 -18.0543 -18.0543 -18.0543 -17.7544 -17.7544 -17.7544 -17.7544 -1.3495 -1.3495 -1.3495 -1.3495 -1.0415 -1.0415 -1.0415 -1.0415 -0.1155 -0.1155 -0.1155 -0.1155 0.2855 0.2855 0.2855 0.2855 0.6609 0.6609 0.6609 0.6609 1.3660 1.3660 1.3660 1.3660 3.4008 3.4008 3.4008 3.4008 3.5886 3.5886 3.5886 3.5886 3.7590 3.7590 3.7590 3.7590 4.1569 4.1569 4.1569 4.1569 4.5959 4.5959 4.5959 4.5959 12.5412 12.5412 12.5412 12.5412 15.7875 15.7875 15.7875 15.7875 k = 0.0000 0.6837 0.0800 ( 2788 PWs) bands (ev): -18.0543 -18.0543 -18.0543 -18.0543 -17.7544 -17.7544 -17.7544 -17.7544 -1.3495 -1.3495 -1.3495 -1.3495 -1.0415 -1.0415 -1.0415 -1.0415 -0.1155 -0.1155 -0.1155 -0.1155 0.2855 0.2855 0.2855 0.2855 0.6609 0.6609 0.6609 0.6609 1.3660 1.3660 1.3660 1.3660 3.4008 3.4008 3.4008 3.4008 3.5886 3.5886 3.5886 3.5886 3.7590 3.7590 3.7590 3.7590 4.1569 4.1569 4.1569 4.1569 4.5959 4.5959 4.5959 4.5959 12.5412 12.5412 12.5412 12.5412 15.7875 15.7875 15.7875 15.7875 k = 0.0143 0.6837 0.0800 ( 2790 PWs) bands (ev): -18.0543 -18.0543 -18.0542 -18.0542 -17.7546 -17.7546 -17.7545 -17.7545 -1.3498 -1.3498 -1.3497 -1.3497 -1.0418 -1.0418 -1.0417 -1.0417 -0.1163 -0.1163 -0.1141 -0.1141 0.2844 0.2844 0.2853 0.2853 0.6609 0.6609 0.6628 0.6628 1.3660 1.3660 1.3663 1.3663 3.4003 3.4003 3.4009 3.4009 3.5818 3.5818 3.5937 3.5937 3.7522 3.7522 3.7663 3.7663 4.1533 4.1533 4.1569 4.1569 4.5958 4.5958 4.6008 4.6008 12.5420 12.5420 12.5425 12.5425 15.7857 15.7857 15.7860 15.7860 k = 0.0286 0.6837 0.0800 ( 2784 PWs) bands (ev): -18.0539 -18.0539 -18.0537 -18.0537 -17.7550 -17.7550 -17.7549 -17.7549 -1.3507 -1.3507 -1.3503 -1.3503 -1.0425 -1.0425 -1.0424 -1.0424 -0.1165 -0.1165 -0.1121 -0.1121 0.2820 0.2820 0.2838 0.2838 0.6629 0.6629 0.6666 0.6666 1.3664 1.3664 1.3669 1.3669 3.3994 3.3994 3.4007 3.4007 3.5738 3.5738 3.5971 3.5971 3.7463 3.7463 3.7741 3.7741 4.1466 4.1466 4.1535 4.1535 4.6007 4.6007 4.6103 4.6103 12.5449 12.5449 12.5459 12.5459 15.7808 15.7808 15.7814 15.7814 k = 0.0429 0.6837 0.0800 ( 2782 PWs) bands (ev): -18.0532 -18.0532 -18.0530 -18.0530 -17.7557 -17.7557 -17.7556 -17.7556 -1.3521 -1.3521 -1.3516 -1.3516 -1.0437 -1.0437 -1.0436 -1.0436 -0.1160 -0.1160 -0.1095 -0.1095 0.2782 0.2782 0.2810 0.2810 0.6667 0.6667 0.6723 0.6723 1.3672 1.3672 1.3679 1.3679 3.3982 3.3982 3.4002 3.4002 3.5646 3.5646 3.5984 3.5984 3.7415 3.7415 3.7819 3.7819 4.1369 4.1369 4.1468 4.1468 4.6101 4.6101 4.6239 4.6239 12.5498 12.5498 12.5514 12.5514 15.7726 15.7726 15.7735 15.7735 k = 0.0571 0.6837 0.0800 ( 2780 PWs) bands (ev): -18.0523 -18.0523 -18.0519 -18.0519 -17.7567 -17.7567 -17.7565 -17.7565 -1.3541 -1.3541 -1.3534 -1.3534 -1.0451 -1.0451 -1.0450 -1.0450 -0.1150 -0.1150 -0.1065 -0.1065 0.2731 0.2731 0.2768 0.2768 0.6726 0.6726 0.6798 0.6798 1.3682 1.3682 1.3692 1.3692 3.3967 3.3967 3.3991 3.3991 3.5544 3.5544 3.5974 3.5974 3.7382 3.7382 3.7897 3.7897 4.1250 4.1250 4.1373 4.1373 4.6237 4.6237 4.6412 4.6412 12.5569 12.5569 12.5589 12.5589 15.7609 15.7609 15.7622 15.7622 k = 0.0714 0.6837 0.0800 ( 2782 PWs) bands (ev): -18.0511 -18.0511 -18.0507 -18.0507 -17.7580 -17.7580 -17.7577 -17.7577 -1.3568 -1.3568 -1.3559 -1.3559 -1.0467 -1.0467 -1.0467 -1.0467 -0.1133 -0.1133 -0.1031 -0.1031 0.2666 0.2666 0.2714 0.2714 0.6803 0.6803 0.6891 0.6891 1.3696 1.3696 1.3708 1.3708 3.3948 3.3948 3.3977 3.3977 3.5434 3.5434 3.5942 3.5942 3.7363 3.7363 3.7972 3.7972 4.1113 4.1113 4.1256 4.1256 4.6407 4.6407 4.6613 4.6613 12.5661 12.5661 12.5686 12.5686 15.7458 15.7458 15.7473 15.7473 k = 0.0857 0.6837 0.0800 ( 2784 PWs) bands (ev): -18.0496 -18.0496 -18.0491 -18.0491 -17.7595 -17.7595 -17.7592 -17.7592 -1.3603 -1.3603 -1.3591 -1.3591 -1.0483 -1.0483 -1.0481 -1.0481 -0.1113 -0.1113 -0.0995 -0.0995 0.2588 0.2588 0.2647 0.2647 0.6899 0.6899 0.7002 0.7002 1.3712 1.3712 1.3727 1.3727 3.3926 3.3926 3.3957 3.3957 3.5317 3.5317 3.5888 3.5888 3.7358 3.7358 3.8044 3.8044 4.0963 4.0963 4.1123 4.1123 4.6607 4.6607 4.6839 4.6839 12.5773 12.5773 12.5804 12.5804 15.7269 15.7269 15.7288 15.7288 k = 0.1000 0.6837 0.0800 ( 2780 PWs) bands (ev): -18.0479 -18.0479 -18.0473 -18.0473 -17.7613 -17.7613 -17.7609 -17.7609 -1.3645 -1.3645 -1.3631 -1.3631 -1.0497 -1.0497 -1.0493 -1.0493 -0.1088 -0.1088 -0.0957 -0.0957 0.2498 0.2498 0.2569 0.2569 0.7013 0.7013 0.7130 0.7130 1.3732 1.3732 1.3750 1.3750 3.3899 3.3899 3.3932 3.3932 3.5196 3.5196 3.5817 3.5817 3.7365 3.7365 3.8113 3.8113 4.0806 4.0806 4.0980 4.0980 4.6831 4.6831 4.7084 4.7084 12.5907 12.5907 12.5942 12.5942 15.7043 15.7043 15.7065 15.7065 k = 0.1143 0.6837 0.0800 ( 2780 PWs) bands (ev): -18.0459 -18.0459 -18.0452 -18.0452 -17.7634 -17.7634 -17.7630 -17.7630 -1.3696 -1.3696 -1.3679 -1.3679 -1.0506 -1.0506 -1.0500 -1.0500 -0.1061 -0.1061 -0.0920 -0.0920 0.2397 0.2397 0.2480 0.2480 0.7144 0.7144 0.7272 0.7272 1.3755 1.3755 1.3776 1.3776 3.3868 3.3868 3.3900 3.3900 3.5069 3.5069 3.5731 3.5731 3.7382 3.7382 3.8176 3.8176 4.0645 4.0645 4.0831 4.0831 4.7073 4.7073 4.7344 4.7344 12.6061 12.6061 12.6101 12.6101 15.6776 15.6776 15.6802 15.6802 k = 0.1286 0.6837 0.0800 ( 2778 PWs) bands (ev): -18.0436 -18.0436 -18.0429 -18.0429 -17.7657 -17.7657 -17.7652 -17.7652 -1.3757 -1.3757 -1.3737 -1.3737 -1.0509 -1.0509 -1.0500 -1.0500 -0.1034 -0.1034 -0.0886 -0.0886 0.2287 0.2287 0.2383 0.2383 0.7290 0.7290 0.7427 0.7427 1.3781 1.3781 1.3806 1.3806 3.3831 3.3831 3.3862 3.3862 3.4941 3.4941 3.5635 3.5635 3.7406 3.7406 3.8234 3.8234 4.0482 4.0482 4.0680 4.0680 4.7330 4.7330 4.7614 4.7614 12.6237 12.6237 12.6281 12.6281 15.6468 15.6468 15.6499 15.6499 k = 0.1429 0.6837 0.0800 ( 2782 PWs) bands (ev): -18.0411 -18.0411 -18.0403 -18.0403 -17.7682 -17.7682 -17.7677 -17.7677 -1.3826 -1.3826 -1.3804 -1.3804 -1.0504 -1.0504 -1.0492 -1.0492 -0.1008 -0.1008 -0.0857 -0.0857 0.2170 0.2170 0.2281 0.2281 0.7450 0.7450 0.7594 0.7594 1.3810 1.3810 1.3839 1.3839 3.3788 3.3788 3.3816 3.3816 3.4811 3.4811 3.5533 3.5533 3.7433 3.7433 3.8286 3.8286 4.0319 4.0319 4.0530 4.0530 4.7597 4.7597 4.7892 4.7892 12.6433 12.6433 12.6482 12.6482 15.6118 15.6118 15.6153 15.6153 k = 0.1571 0.6837 0.0800 ( 2782 PWs) bands (ev): -18.0384 -18.0384 -18.0374 -18.0374 -17.7710 -17.7710 -17.7705 -17.7705 -1.3905 -1.3905 -1.3880 -1.3880 -1.0490 -1.0490 -1.0473 -1.0473 -0.0987 -0.0987 -0.0835 -0.0835 0.2049 0.2049 0.2176 0.2176 0.7619 0.7619 0.7768 0.7768 1.3843 1.3843 1.3877 1.3877 3.3738 3.3738 3.3761 3.3761 3.4682 3.4682 3.5428 3.5428 3.7463 3.7463 3.8332 3.8332 4.0159 4.0159 4.0384 4.0384 4.7871 4.7871 4.8176 4.8176 12.6650 12.6650 12.6704 12.6704 15.5725 15.5725 15.5766 15.5766 k = 0.1714 0.6837 0.0800 ( 2778 PWs) bands (ev): -18.0354 -18.0354 -18.0344 -18.0344 -17.7741 -17.7741 -17.7735 -17.7735 -1.3993 -1.3993 -1.3966 -1.3966 -1.0464 -1.0464 -1.0444 -1.0444 -0.0974 -0.0974 -0.0824 -0.0824 0.1928 0.1928 0.2072 0.2072 0.7797 0.7797 0.7949 0.7949 1.3880 1.3880 1.3919 1.3919 3.3678 3.3678 3.3697 3.3697 3.4558 3.4558 3.5323 3.5323 3.7493 3.7493 3.8370 3.8370 4.0004 4.0004 4.0246 4.0246 4.8150 4.8150 4.8462 4.8462 12.6888 12.6888 12.6946 12.6946 15.5291 15.5291 15.5337 15.5337 k = 0.1857 0.6837 0.0800 ( 2774 PWs) bands (ev): -18.0322 -18.0322 -18.0311 -18.0311 -17.7773 -17.7773 -17.7767 -17.7767 -1.4089 -1.4089 -1.4059 -1.4059 -1.0427 -1.0427 -1.0403 -1.0403 -0.0972 -0.0972 -0.0828 -0.0828 0.1812 0.1812 0.1974 0.1974 0.7980 0.7980 0.8133 0.8133 1.3922 1.3922 1.3967 1.3967 3.3606 3.3606 3.3622 3.3622 3.4440 3.4440 3.5221 3.5221 3.7523 3.7523 3.8399 3.8399 3.9855 3.9855 4.0117 4.0117 4.8431 4.8431 4.8750 4.8750 12.7146 12.7146 12.7209 12.7209 15.4817 15.4817 15.4867 15.4867 k = 0.2000 0.6837 0.0800 ( 2770 PWs) bands (ev): -18.0288 -18.0288 -18.0275 -18.0275 -17.7808 -17.7808 -17.7802 -17.7802 -1.4191 -1.4191 -1.4160 -1.4160 -1.0378 -1.0378 -1.0351 -1.0351 -0.0985 -0.0985 -0.0850 -0.0850 0.1705 0.1705 0.1887 0.1887 0.8165 0.8165 0.8316 0.8316 1.3970 1.3970 1.4022 1.4022 3.3521 3.3521 3.3538 3.3538 3.4331 3.4331 3.5124 3.5124 3.7551 3.7551 3.8419 3.8419 3.9712 3.9712 3.9999 3.9999 4.8713 4.8713 4.9036 4.9036 12.7425 12.7425 12.7492 12.7492 15.4303 15.4303 15.4359 15.4359 k = 0.2143 0.6837 0.0800 ( 2770 PWs) bands (ev): -18.0251 -18.0251 -18.0238 -18.0238 -17.7845 -17.7845 -17.7838 -17.7838 -1.4300 -1.4300 -1.4268 -1.4268 -1.0318 -1.0318 -1.0286 -1.0286 -0.1018 -0.1018 -0.0894 -0.0894 0.1612 0.1612 0.1814 0.1814 0.8348 0.8348 0.8497 0.8497 1.4024 1.4024 1.4083 1.4083 3.3420 3.3420 3.3442 3.3442 3.4233 3.4233 3.5032 3.5032 3.7576 3.7576 3.8429 3.8429 3.9577 3.9577 3.9894 3.9894 4.8992 4.8992 4.9319 4.9319 12.7724 12.7724 12.7795 12.7795 15.3754 15.3754 15.3815 15.3815 k = 0.2286 0.6837 0.0800 ( 2770 PWs) bands (ev): -18.0213 -18.0213 -18.0199 -18.0199 -17.7884 -17.7884 -17.7877 -17.7877 -1.4413 -1.4413 -1.4380 -1.4380 -1.0246 -1.0246 -1.0211 -1.0211 -0.1075 -0.1075 -0.0962 -0.0962 0.1538 0.1538 0.1760 0.1760 0.8528 0.8528 0.8671 0.8671 1.4086 1.4086 1.4153 1.4153 3.3305 3.3305 3.3337 3.3337 3.4148 3.4148 3.4948 3.4948 3.7597 3.7597 3.8428 3.8428 3.9450 3.9450 3.9803 3.9803 4.9268 4.9268 4.9597 4.9597 12.8043 12.8043 12.8118 12.8118 15.3170 15.3170 15.3237 15.3237 k = 0.2429 0.6837 0.0800 ( 2768 PWs) bands (ev): -18.0173 -18.0173 -18.0158 -18.0158 -17.7924 -17.7924 -17.7917 -17.7917 -1.4529 -1.4529 -1.4495 -1.4495 -1.0162 -1.0162 -1.0124 -1.0124 -0.1157 -0.1157 -0.1056 -0.1056 0.1485 0.1485 0.1726 0.1726 0.8700 0.8700 0.8836 0.8836 1.4156 1.4156 1.4232 1.4232 3.3177 3.3177 3.3222 3.3222 3.4074 3.4074 3.4871 3.4871 3.7614 3.7614 3.8417 3.8417 3.9333 3.9333 3.9727 3.9727 4.9539 4.9539 4.9870 4.9870 12.8382 12.8382 12.8460 12.8460 15.2557 15.2557 15.2630 15.2630 k = 0.2571 0.6837 0.0800 ( 2764 PWs) bands (ev): -18.0131 -18.0131 -18.0115 -18.0115 -17.7966 -17.7966 -17.7959 -17.7959 -1.4646 -1.4646 -1.4612 -1.4612 -1.0068 -1.0068 -1.0027 -1.0027 -0.1265 -0.1265 -0.1175 -0.1175 0.1455 0.1455 0.1713 0.1713 0.8862 0.8862 0.8990 0.8990 1.4235 1.4235 1.4320 1.4320 3.3038 3.3038 3.3099 3.3099 3.4010 3.4010 3.4800 3.4800 3.7627 3.7627 3.8394 3.8394 3.9226 3.9226 3.9666 3.9666 4.9803 4.9803 5.0136 5.0136 12.8740 12.8740 12.8822 12.8822 15.1918 15.1918 15.1996 15.1996 k = 0.2714 0.6837 0.0800 ( 2758 PWs) bands (ev): -18.0087 -18.0087 -18.0071 -18.0071 -17.8010 -17.8010 -17.8003 -17.8003 -1.4764 -1.4764 -1.4730 -1.4730 -0.9965 -0.9965 -0.9921 -0.9921 -0.1399 -0.1399 -0.1317 -0.1317 0.1447 0.1447 0.1719 0.1719 0.9011 0.9011 0.9130 0.9130 1.4323 1.4323 1.4418 1.4418 3.2892 3.2892 3.2970 3.2970 3.3954 3.3954 3.4737 3.4737 3.7634 3.7634 3.8363 3.8363 3.9129 3.9129 3.9620 3.9620 5.0060 5.0060 5.0394 5.0394 12.9117 12.9117 12.9202 12.9202 15.1256 15.1256 15.1339 15.1339 k = 0.2857 0.6837 0.0800 ( 2762 PWs) bands (ev): -18.0043 -18.0043 -18.0025 -18.0025 -17.8055 -17.8055 -17.8048 -17.8048 -1.4882 -1.4882 -1.4847 -1.4847 -0.9853 -0.9853 -0.9806 -0.9806 -0.1555 -0.1555 -0.1480 -0.1480 0.1459 0.1459 0.1743 0.1743 0.9147 0.9147 0.9255 0.9255 1.4421 1.4421 1.4525 1.4525 3.2740 3.2740 3.2835 3.2835 3.3904 3.3904 3.4680 3.4680 3.7636 3.7636 3.8323 3.8323 3.9043 3.9043 3.9586 3.9586 5.0307 5.0307 5.0641 5.0641 12.9512 12.9512 12.9600 12.9600 15.0576 15.0576 15.0664 15.0664 k = 0.3000 0.6837 0.0800 ( 2756 PWs) bands (ev): -17.9997 -17.9997 -17.9978 -17.9978 -17.8101 -17.8101 -17.8094 -17.8094 -1.4996 -1.4996 -1.4961 -1.4961 -0.9732 -0.9732 -0.9683 -0.9683 -0.1729 -0.1729 -0.1660 -0.1660 0.1489 0.1489 0.1781 0.1781 0.9267 0.9267 0.9365 0.9365 1.4528 1.4528 1.4642 1.4642 3.2585 3.2585 3.2698 3.2698 3.3860 3.3860 3.4628 3.4628 3.7633 3.7633 3.8279 3.8279 3.8969 3.8969 3.9562 3.9562 5.0544 5.0544 5.0879 5.0879 12.9924 12.9924 13.0016 13.0016 14.9882 14.9882 14.9974 14.9974 k = 0.3143 0.6837 0.0800 ( 2760 PWs) bands (ev): -17.9950 -17.9950 -17.9931 -17.9931 -17.8149 -17.8149 -17.8141 -17.8141 -1.5108 -1.5108 -1.5073 -1.5073 -0.9605 -0.9605 -0.9554 -0.9554 -0.1918 -0.1918 -0.1852 -0.1852 0.1531 0.1531 0.1830 0.1830 0.9370 0.9370 0.9458 0.9458 1.4643 1.4643 1.4766 1.4766 3.2430 3.2430 3.2560 3.2560 3.3820 3.3820 3.4581 3.4581 3.7624 3.7624 3.8230 3.8230 3.8905 3.8905 3.9547 3.9547 5.0769 5.0769 5.1104 5.1104 13.0353 13.0353 13.0447 13.0447 14.9177 14.9177 14.9274 14.9274 k = 0.3286 0.6837 0.0800 ( 2762 PWs) bands (ev): -17.9902 -17.9902 -17.9882 -17.9882 -17.8196 -17.8196 -17.8189 -17.8189 -1.5215 -1.5215 -1.5180 -1.5180 -0.9472 -0.9472 -0.9419 -0.9419 -0.2117 -0.2117 -0.2054 -0.2054 0.1584 0.1584 0.1888 0.1888 0.9458 0.9458 0.9535 0.9535 1.4764 1.4764 1.4897 1.4897 3.2277 3.2277 3.2422 3.2422 3.3784 3.3784 3.4539 3.4539 3.7610 3.7610 3.8180 3.8180 3.8851 3.8851 3.9538 3.9538 5.0981 5.0981 5.1316 5.1316 13.0798 13.0798 13.0894 13.0894 14.8466 14.8466 14.8568 14.8568 k = 0.3429 0.6837 0.0800 ( 2762 PWs) bands (ev): -17.9854 -17.9854 -17.9833 -17.9833 -17.8245 -17.8245 -17.8238 -17.8238 -1.5316 -1.5316 -1.5282 -1.5282 -0.9335 -0.9335 -0.9281 -0.9281 -0.2322 -0.2322 -0.2260 -0.2260 0.1644 0.1644 0.1951 0.1951 0.9530 0.9530 0.9597 0.9597 1.4890 1.4890 1.5031 1.5031 3.2127 3.2127 3.2287 3.2287 3.3751 3.3751 3.4501 3.4501 3.7593 3.7593 3.8131 3.8131 3.8807 3.8807 3.9534 3.9534 5.1181 5.1181 5.1515 5.1515 13.1255 13.1255 13.1354 13.1354 14.7753 14.7753 14.7859 14.7859 k = 0.3571 0.6837 0.0800 ( 2766 PWs) bands (ev): -17.9806 -17.9806 -17.9784 -17.9784 -17.8293 -17.8293 -17.8286 -17.8286 -1.5412 -1.5412 -1.5378 -1.5378 -0.9196 -0.9196 -0.9139 -0.9139 -0.2531 -0.2531 -0.2469 -0.2469 0.1707 0.1707 0.2018 0.2018 0.9587 0.9587 0.9645 0.9645 1.5019 1.5019 1.5167 1.5167 3.1982 3.1982 3.2156 3.2156 3.3722 3.3722 3.4466 3.4466 3.7573 3.7573 3.8083 3.8083 3.8772 3.8772 3.9534 3.9534 5.1366 5.1366 5.1700 5.1700 13.1725 13.1725 13.1825 13.1825 14.7043 14.7043 14.7154 14.7154 k = 0.3714 0.6837 0.0800 ( 2764 PWs) bands (ev): -17.9759 -17.9759 -17.9736 -17.9736 -17.8340 -17.8340 -17.8334 -17.8334 -1.5500 -1.5500 -1.5467 -1.5467 -0.9055 -0.9055 -0.8997 -0.8997 -0.2737 -0.2737 -0.2676 -0.2676 0.1772 0.1772 0.2085 0.2085 0.9631 0.9631 0.9681 0.9681 1.5147 1.5147 1.5302 1.5302 3.1845 3.1845 3.2031 3.2031 3.3695 3.3695 3.4435 3.4435 3.7551 3.7551 3.8038 3.8038 3.8744 3.8744 3.9536 3.9536 5.1535 5.1535 5.1869 5.1869 13.2202 13.2202 13.2304 13.2304 14.6342 14.6342 14.6456 14.6456 k = 0.3857 0.6837 0.0800 ( 2766 PWs) bands (ev): -17.9712 -17.9712 -17.9688 -17.9688 -17.8387 -17.8387 -17.8382 -17.8382 -1.5581 -1.5581 -1.5548 -1.5548 -0.8916 -0.8916 -0.8857 -0.8857 -0.2939 -0.2939 -0.2878 -0.2878 0.1836 0.1836 0.2150 0.2150 0.9664 0.9664 0.9706 0.9706 1.5272 1.5272 1.5433 1.5433 3.1716 3.1716 3.1914 3.1914 3.3670 3.3670 3.4407 3.4407 3.7528 3.7528 3.7997 3.7997 3.8722 3.8722 3.9539 3.9539 5.1689 5.1689 5.2022 5.2022 13.2685 13.2685 13.2788 13.2788 14.5653 14.5653 14.5771 14.5771 k = 0.4000 0.6837 0.0800 ( 2766 PWs) bands (ev): -17.9667 -17.9667 -17.9642 -17.9642 -17.8433 -17.8433 -17.8428 -17.8428 -1.5654 -1.5654 -1.5621 -1.5621 -0.8780 -0.8780 -0.8720 -0.8720 -0.3132 -0.3132 -0.3071 -0.3071 0.1898 0.1898 0.2213 0.2213 0.9688 0.9688 0.9723 0.9723 1.5391 1.5391 1.5556 1.5556 3.1598 3.1598 3.1806 3.1806 3.3649 3.3649 3.4383 3.4383 3.7506 3.7506 3.7959 3.7959 3.8706 3.8706 3.9543 3.9543 5.1827 5.1827 5.2159 5.2159 13.3168 13.3168 13.3271 13.3271 14.4985 14.4985 14.5106 14.5106 k = 0.4143 0.6837 0.0800 ( 2760 PWs) bands (ev): -17.9624 -17.9624 -17.9598 -17.9598 -17.8476 -17.8476 -17.8471 -17.8471 -1.5718 -1.5718 -1.5685 -1.5685 -0.8651 -0.8651 -0.8590 -0.8590 -0.3313 -0.3313 -0.3251 -0.3251 0.1955 0.1955 0.2271 0.2271 0.9703 0.9703 0.9733 0.9733 1.5501 1.5501 1.5669 1.5669 3.1492 3.1492 3.1709 3.1709 3.3631 3.3631 3.4362 3.4362 3.7485 3.7485 3.7926 3.7926 3.8694 3.8694 3.9548 3.9548 5.1947 5.1947 5.2279 5.2279 13.3643 13.3643 13.3747 13.3747 14.4346 14.4346 14.4471 14.4471 k = 0.4286 0.6837 0.0800 ( 2760 PWs) bands (ev): -17.9584 -17.9584 -17.9557 -17.9557 -17.8515 -17.8515 -17.8512 -17.8512 -1.5772 -1.5772 -1.5740 -1.5740 -0.8531 -0.8531 -0.8470 -0.8470 -0.3477 -0.3477 -0.3415 -0.3415 0.2005 0.2005 0.2322 0.2322 0.9713 0.9713 0.9738 0.9738 1.5599 1.5599 1.5770 1.5770 3.1400 3.1400 3.1624 3.1624 3.3615 3.3615 3.4344 3.4344 3.7466 3.7466 3.7898 3.7898 3.8685 3.8685 3.9552 3.9552 5.2050 5.2050 5.2381 5.2381 13.4101 13.4101 13.4205 13.4205 14.3748 14.3748 14.3875 14.3875 k = 0.4429 0.6837 0.0800 ( 2756 PWs) bands (ev): -17.9549 -17.9549 -17.9520 -17.9520 -17.8551 -17.8551 -17.8548 -17.8548 -1.5817 -1.5817 -1.5786 -1.5786 -0.8426 -0.8426 -0.8363 -0.8363 -0.3620 -0.3620 -0.3558 -0.3558 0.2049 0.2049 0.2366 0.2366 0.9719 0.9719 0.9740 0.9740 1.5682 1.5682 1.5856 1.5856 3.1322 3.1322 3.1552 3.1552 3.3602 3.3602 3.4329 3.4329 3.7450 3.7450 3.7875 3.7875 3.8679 3.8679 3.9556 3.9556 5.2134 5.2134 5.2465 5.2465 13.4528 13.4528 13.4631 13.4631 14.3204 14.3204 14.3335 14.3335 k = 0.4571 0.6837 0.0800 ( 2752 PWs) bands (ev): -17.9520 -17.9520 -17.9490 -17.9490 -17.8580 -17.8580 -17.8579 -17.8579 -1.5853 -1.5853 -1.5821 -1.5821 -0.8338 -0.8338 -0.8275 -0.8275 -0.3738 -0.3738 -0.3675 -0.3675 0.2084 0.2084 0.2401 0.2401 0.9721 0.9721 0.9740 0.9740 1.5750 1.5750 1.5925 1.5925 3.1260 3.1260 3.1496 3.1496 3.3592 3.3592 3.4318 3.4318 3.7437 3.7437 3.7857 3.7857 3.8674 3.8674 3.9559 3.9559 5.2200 5.2200 5.2531 5.2531 13.4905 13.4905 13.5007 13.5007 14.2736 14.2736 14.2870 14.2870 k = 0.4714 0.6837 0.0800 ( 2752 PWs) bands (ev): -17.9497 -17.9497 -17.9466 -17.9466 -17.8603 -17.8603 -17.8602 -17.8602 -1.5878 -1.5878 -1.5847 -1.5847 -0.8271 -0.8271 -0.8208 -0.8208 -0.3826 -0.3826 -0.3763 -0.3763 0.2109 0.2109 0.2427 0.2427 0.9722 0.9722 0.9739 0.9739 1.5799 1.5799 1.5976 1.5976 3.1215 3.1215 3.1454 3.1454 3.3585 3.3585 3.4310 3.4310 3.7427 3.7427 3.7844 3.7844 3.8671 3.8671 3.9562 3.9562 5.2248 5.2248 5.2579 5.2579 13.5206 13.5206 13.5307 13.5307 14.2369 14.2369 14.2505 14.2505 k = 0.4857 0.6837 0.0800 ( 2756 PWs) bands (ev): -17.9483 -17.9483 -17.9451 -17.9451 -17.8617 -17.8617 -17.8617 -17.8617 -1.5894 -1.5894 -1.5863 -1.5863 -0.8230 -0.8230 -0.8167 -0.8167 -0.3880 -0.3880 -0.3817 -0.3817 0.2125 0.2125 0.2443 0.2443 0.9723 0.9723 0.9738 0.9738 1.5830 1.5830 1.6007 1.6007 3.1188 3.1188 3.1429 3.1429 3.3581 3.3581 3.4305 3.4305 3.7421 3.7421 3.7836 3.7836 3.8670 3.8670 3.9563 3.9563 5.2276 5.2276 5.2607 5.2607 13.5404 13.5404 13.5504 13.5504 14.2132 14.2132 14.2270 14.2270 k = 0.5000 0.6837 0.0800 ( 2752 PWs) bands (ev): -17.9478 -17.9478 -17.9446 -17.9446 -17.8622 -17.8622 -17.8622 -17.8622 -1.5899 -1.5899 -1.5868 -1.5868 -0.8216 -0.8216 -0.8152 -0.8152 -0.3898 -0.3898 -0.3835 -0.3835 0.2130 0.2130 0.2448 0.2448 0.9723 0.9723 0.9738 0.9738 1.5840 1.5840 1.6017 1.6017 3.1178 3.1178 3.1421 3.1421 3.3579 3.3579 3.4303 3.4303 3.7419 3.7419 3.7833 3.7833 3.8669 3.8669 3.9563 3.9563 5.2286 5.2286 5.2617 5.2617 13.5473 13.5473 13.5573 13.5573 14.2049 14.2049 14.2188 14.2188 k = 0.5000 0.6837 0.0800 ( 2752 PWs) bands (ev): -17.9478 -17.9478 -17.9446 -17.9446 -17.8622 -17.8622 -17.8622 -17.8622 -1.5899 -1.5899 -1.5868 -1.5868 -0.8216 -0.8216 -0.8152 -0.8152 -0.3898 -0.3898 -0.3835 -0.3835 0.2130 0.2130 0.2448 0.2448 0.9723 0.9723 0.9738 0.9738 1.5840 1.5840 1.6017 1.6017 3.1178 3.1178 3.1421 3.1421 3.3579 3.3579 3.4303 3.4303 3.7419 3.7419 3.7833 3.7833 3.8669 3.8669 3.9563 3.9563 5.2286 5.2286 5.2617 5.2617 13.5473 13.5473 13.5573 13.5573 14.2049 14.2049 14.2188 14.2188 k = 0.5000 0.6854 0.0660 ( 2754 PWs) bands (ev): -17.9480 -17.9480 -17.9448 -17.9448 -17.8620 -17.8620 -17.8620 -17.8620 -1.5907 -1.5907 -1.5875 -1.5875 -0.8227 -0.8227 -0.8163 -0.8163 -0.3886 -0.3886 -0.3823 -0.3823 0.2126 0.2126 0.2443 0.2443 0.9735 0.9735 0.9751 0.9751 1.5842 1.5842 1.6019 1.6019 3.1182 3.1182 3.1425 3.1425 3.3581 3.3581 3.4304 3.4304 3.7421 3.7421 3.7836 3.7836 3.8668 3.8668 3.9562 3.9562 5.2280 5.2280 5.2611 5.2611 13.5461 13.5461 13.5560 13.5560 14.2071 14.2071 14.2209 14.2209 k = 0.5000 0.6870 0.0521 ( 2752 PWs) bands (ev): -17.9485 -17.9485 -17.9454 -17.9454 -17.8614 -17.8614 -17.8614 -17.8614 -1.5930 -1.5930 -1.5899 -1.5899 -0.8259 -0.8259 -0.8196 -0.8196 -0.3850 -0.3850 -0.3787 -0.3787 0.2113 0.2113 0.2428 0.2428 0.9771 0.9771 0.9790 0.9790 1.5847 1.5847 1.6025 1.6025 3.1193 3.1193 3.1436 3.1436 3.3585 3.3585 3.4306 3.4306 3.7428 3.7428 3.7844 3.7844 3.8665 3.8665 3.9556 3.9556 5.2264 5.2264 5.2594 5.2594 13.5426 13.5426 13.5523 13.5523 14.2137 14.2137 14.2273 14.2273 k = 0.5000 0.6886 0.0382 ( 2752 PWs) bands (ev): -17.9494 -17.9494 -17.9463 -17.9463 -17.8605 -17.8605 -17.8604 -17.8604 -1.5969 -1.5969 -1.5938 -1.5938 -0.8309 -0.8309 -0.8248 -0.8248 -0.3794 -0.3794 -0.3731 -0.3731 0.2093 0.2093 0.2405 0.2405 0.9831 0.9831 0.9852 0.9852 1.5857 1.5857 1.6034 1.6034 3.1210 3.1210 3.1456 3.1456 3.3592 3.3592 3.4310 3.4310 3.7438 3.7438 3.7858 3.7858 3.8661 3.8661 3.9546 3.9546 5.2236 5.2236 5.2565 5.2565 13.5369 13.5369 13.5464 13.5464 14.2244 14.2244 14.2378 14.2378 k = 0.5000 0.6903 0.0242 ( 2756 PWs) bands (ev): -17.9505 -17.9505 -17.9475 -17.9475 -17.8592 -17.8592 -17.8591 -17.8591 -1.6023 -1.6023 -1.5992 -1.5992 -0.8376 -0.8376 -0.8316 -0.8316 -0.3721 -0.3721 -0.3659 -0.3659 0.2069 0.2069 0.2376 0.2376 0.9911 0.9911 0.9938 0.9938 1.5870 1.5870 1.6048 1.6048 3.1235 3.1235 3.1483 3.1483 3.3601 3.3601 3.4315 3.4315 3.7452 3.7452 3.7876 3.7876 3.8655 3.8655 3.9532 3.9532 5.2197 5.2197 5.2525 5.2525 13.5292 13.5292 13.5383 13.5383 14.2392 14.2392 14.2523 14.2523 k = 0.5000 0.6919 0.0103 ( 2756 PWs) bands (ev): -17.9520 -17.9520 -17.9490 -17.9490 -17.8576 -17.8576 -17.8575 -17.8575 -1.6092 -1.6092 -1.6060 -1.6060 -0.8455 -0.8455 -0.8396 -0.8396 -0.3638 -0.3638 -0.3576 -0.3576 0.2045 0.2045 0.2346 0.2346 1.0011 1.0011 1.0043 1.0043 1.5888 1.5888 1.6066 1.6066 3.1266 3.1266 3.1518 3.1518 3.3613 3.3613 3.4321 3.4321 3.7468 3.7468 3.7900 3.7900 3.8650 3.8650 3.9516 3.9516 5.2147 5.2147 5.2475 5.2475 13.5197 13.5197 13.5284 13.5284 14.2576 14.2576 14.2704 14.2704 k = 0.5000 0.6935-0.0036 ( 2760 PWs) bands (ev): -17.9537 -17.9537 -17.9508 -17.9508 -17.8558 -17.8558 -17.8556 -17.8556 -1.6174 -1.6174 -1.6143 -1.6143 -0.8543 -0.8543 -0.8486 -0.8486 -0.3551 -0.3551 -0.3489 -0.3489 0.2024 0.2024 0.2317 0.2317 1.0128 1.0128 1.0166 1.0166 1.5910 1.5910 1.6088 1.6088 3.1303 3.1303 3.1560 3.1560 3.3628 3.3628 3.4329 3.4329 3.7486 3.7486 3.7928 3.7928 3.8645 3.8645 3.9497 3.9497 5.2087 5.2087 5.2413 5.2413 13.5087 13.5087 13.5169 13.5169 14.2796 14.2796 14.2920 14.2920 k = 0.5000 0.6951-0.0176 ( 2754 PWs) bands (ev): -17.9556 -17.9556 -17.9528 -17.9528 -17.8537 -17.8537 -17.8534 -17.8534 -1.6269 -1.6269 -1.6237 -1.6237 -0.8637 -0.8637 -0.8581 -0.8581 -0.3464 -0.3464 -0.3404 -0.3404 0.2010 0.2010 0.2295 0.2295 1.0258 1.0258 1.0304 1.0304 1.5937 1.5937 1.6116 1.6116 3.1347 3.1347 3.1609 3.1609 3.3645 3.3645 3.4338 3.4338 3.7504 3.7504 3.7959 3.7959 3.8643 3.8643 3.9476 3.9476 5.2016 5.2016 5.2340 5.2340 13.4965 13.4965 13.5041 13.5041 14.3047 14.3047 14.3168 14.3168 k = 0.5000 0.6968-0.0315 ( 2756 PWs) bands (ev): -17.9576 -17.9576 -17.9550 -17.9550 -17.8514 -17.8514 -17.8511 -17.8511 -1.6376 -1.6376 -1.6345 -1.6345 -0.8733 -0.8733 -0.8679 -0.8679 -0.3386 -0.3386 -0.3327 -0.3327 0.2008 0.2008 0.2284 0.2284 1.0400 1.0400 1.0452 1.0452 1.5969 1.5969 1.6148 1.6148 3.1397 3.1397 3.1664 3.1664 3.3665 3.3665 3.4348 3.4348 3.7520 3.7520 3.7994 3.7994 3.8645 3.8645 3.9455 3.9455 5.1935 5.1935 5.2257 5.2257 13.4832 13.4832 13.4903 13.4903 14.3328 14.3328 14.3446 14.3446 k = 0.5000 0.6984-0.0454 ( 2756 PWs) bands (ev): -17.9598 -17.9598 -17.9573 -17.9573 -17.8490 -17.8490 -17.8486 -17.8486 -1.6494 -1.6494 -1.6462 -1.6462 -0.8830 -0.8830 -0.8777 -0.8777 -0.3321 -0.3321 -0.3264 -0.3264 0.2022 0.2022 0.2287 0.2287 1.0550 1.0550 1.0609 1.0609 1.6007 1.6007 1.6185 1.6185 3.1453 3.1453 3.1726 3.1726 3.3686 3.3686 3.4360 3.4360 3.7533 3.7533 3.8030 3.8030 3.8654 3.8654 3.9434 3.9434 5.1844 5.1844 5.2164 5.2164 13.4691 13.4691 13.4757 13.4757 14.3635 14.3635 14.3750 14.3750 k = 0.5000 0.7000-0.0594 ( 2760 PWs) bands (ev): -17.9621 -17.9621 -17.9597 -17.9597 -17.8464 -17.8464 -17.8460 -17.8460 -1.6621 -1.6621 -1.6590 -1.6590 -0.8925 -0.8925 -0.8873 -0.8873 -0.3272 -0.3272 -0.3219 -0.3219 0.2055 0.2055 0.2308 0.2308 1.0705 1.0705 1.0771 1.0771 1.6051 1.6051 1.6229 1.6229 3.1514 3.1514 3.1794 3.1794 3.3710 3.3710 3.4372 3.4372 3.7540 3.7540 3.8066 3.8066 3.8672 3.8672 3.9416 3.9416 5.1744 5.1744 5.2061 5.2061 13.4543 13.4543 13.4604 13.4604 14.3968 14.3968 14.4080 14.4080 k = 0.5000 0.7017-0.0733 ( 2764 PWs) bands (ev): -17.9645 -17.9645 -17.9622 -17.9622 -17.8438 -17.8438 -17.8433 -17.8433 -1.6757 -1.6757 -1.6726 -1.6726 -0.9016 -0.9016 -0.8966 -0.8966 -0.3245 -0.3245 -0.3194 -0.3194 0.2109 0.2109 0.2350 0.2350 1.0863 1.0863 1.0935 1.0935 1.6101 1.6101 1.6278 1.6278 3.1580 3.1580 3.1868 3.1868 3.3735 3.3735 3.4386 3.4386 3.7538 3.7538 3.8099 3.8099 3.8701 3.8701 3.9402 3.9402 5.1634 5.1634 5.1948 5.1948 13.4392 13.4392 13.4448 13.4448 14.4323 14.4323 14.4434 14.4434 k = 0.5000 0.7033-0.0872 ( 2764 PWs) bands (ev): -17.9670 -17.9670 -17.9648 -17.9648 -17.8410 -17.8410 -17.8405 -17.8405 -1.6899 -1.6899 -1.6868 -1.6868 -0.9103 -0.9103 -0.9054 -0.9054 -0.3239 -0.3239 -0.3193 -0.3193 0.2186 0.2186 0.2413 0.2413 1.1022 1.1022 1.1099 1.1099 1.6159 1.6159 1.6334 1.6334 3.1651 3.1651 3.1947 3.1947 3.3762 3.3762 3.4401 3.4401 3.7526 3.7526 3.8128 3.8128 3.8743 3.8743 3.9396 3.9396 5.1515 5.1515 5.1826 5.1826 13.4237 13.4237 13.4289 13.4289 14.4700 14.4700 14.4809 14.4809 k = 0.5000 0.7049-0.1012 ( 2766 PWs) bands (ev): -17.9695 -17.9695 -17.9673 -17.9673 -17.8382 -17.8382 -17.8377 -17.8377 -1.7047 -1.7047 -1.7016 -1.7016 -0.9185 -0.9185 -0.9137 -0.9137 -0.3256 -0.3256 -0.3215 -0.3215 0.2285 0.2285 0.2497 0.2497 1.1179 1.1179 1.1260 1.1260 1.6223 1.6223 1.6397 1.6397 3.1726 3.1726 3.2030 3.2030 3.3790 3.3790 3.4417 3.4417 3.7504 3.7504 3.8149 3.8149 3.8799 3.8799 3.9401 3.9401 5.1388 5.1388 5.1696 5.1696 13.4080 13.4080 13.4128 13.4128 14.5097 14.5097 14.5205 14.5205 k = 0.5000 0.7065-0.1151 ( 2766 PWs) bands (ev): -17.9720 -17.9720 -17.9700 -17.9700 -17.8354 -17.8354 -17.8348 -17.8348 -1.7198 -1.7198 -1.7168 -1.7168 -0.9261 -0.9261 -0.9214 -0.9214 -0.3296 -0.3296 -0.3259 -0.3259 0.2404 0.2404 0.2602 0.2602 1.1332 1.1332 1.1417 1.1417 1.6295 1.6295 1.6466 1.6466 3.1805 3.1805 3.2118 3.2118 3.3820 3.3820 3.4434 3.4434 3.7471 3.7471 3.8159 3.8159 3.8869 3.8869 3.9419 3.9419 5.1254 5.1254 5.1558 5.1558 13.3923 13.3923 13.3966 13.3966 14.5513 14.5513 14.5620 14.5620 k = 0.5000 0.7082-0.1290 ( 2764 PWs) bands (ev): -17.9745 -17.9745 -17.9726 -17.9726 -17.8326 -17.8326 -17.8320 -17.8320 -1.7352 -1.7352 -1.7323 -1.7323 -0.9331 -0.9331 -0.9285 -0.9285 -0.3356 -0.3356 -0.3324 -0.3324 0.2541 0.2541 0.2725 0.2725 1.1480 1.1480 1.1568 1.1568 1.6374 1.6374 1.6542 1.6542 3.1888 3.1888 3.2209 3.2209 3.3851 3.3851 3.4452 3.4452 3.7427 3.7427 3.8156 3.8156 3.8953 3.8953 3.9454 3.9454 5.1112 5.1112 5.1412 5.1412 13.3766 13.3766 13.3805 13.3805 14.5947 14.5947 14.6054 14.6054 k = 0.5000 0.7098-0.1430 ( 2768 PWs) bands (ev): -17.9770 -17.9770 -17.9752 -17.9752 -17.8297 -17.8297 -17.8291 -17.8291 -1.7507 -1.7507 -1.7478 -1.7478 -0.9394 -0.9394 -0.9350 -0.9350 -0.3434 -0.3434 -0.3407 -0.3407 0.2694 0.2694 0.2864 0.2864 1.1620 1.1620 1.1710 1.1710 1.6461 1.6461 1.6624 1.6624 3.1973 3.1973 3.2303 3.2303 3.3882 3.3882 3.4472 3.4472 3.7374 3.7374 3.8139 3.8139 3.9050 3.9050 3.9505 3.9505 5.0963 5.0963 5.1259 5.1259 13.3610 13.3610 13.3645 13.3645 14.6398 14.6398 14.6505 14.6505 k = 0.5000 0.7114-0.1569 ( 2768 PWs) bands (ev): -17.9795 -17.9795 -17.9778 -17.9778 -17.8269 -17.8269 -17.8263 -17.8263 -1.7662 -1.7662 -1.7634 -1.7634 -0.9451 -0.9451 -0.9408 -0.9408 -0.3528 -0.3528 -0.3506 -0.3506 0.2858 0.2858 0.3014 0.3014 1.1753 1.1753 1.1843 1.1843 1.6555 1.6555 1.6713 1.6713 3.2062 3.2062 3.2400 3.2400 3.3915 3.3915 3.4493 3.4493 3.7311 3.7311 3.8107 3.8107 3.9158 3.9158 3.9575 3.9575 5.0809 5.0809 5.1101 5.1101 13.3455 13.3455 13.3487 13.3487 14.6865 14.6865 14.6973 14.6973 k = 0.5000 0.7131-0.1708 ( 2762 PWs) bands (ev): -17.9820 -17.9820 -17.9803 -17.9803 -17.8241 -17.8241 -17.8235 -17.8235 -1.7815 -1.7815 -1.7788 -1.7788 -0.9501 -0.9501 -0.9459 -0.9459 -0.3635 -0.3635 -0.3616 -0.3616 0.3031 0.3031 0.3174 0.3174 1.1876 1.1876 1.1966 1.1966 1.6656 1.6656 1.6808 1.6808 3.2153 3.2153 3.2499 3.2499 3.3947 3.3947 3.4515 3.4515 3.7241 3.7241 3.8062 3.8062 3.9277 3.9277 3.9661 3.9661 5.0650 5.0650 5.0937 5.0937 13.3303 13.3303 13.3331 13.3331 14.7347 14.7347 14.7456 14.7456 k = 0.5000 0.7147-0.1848 ( 2760 PWs) bands (ev): -17.9844 -17.9844 -17.9828 -17.9828 -17.8214 -17.8214 -17.8207 -17.8207 -1.7965 -1.7965 -1.7939 -1.7939 -0.9545 -0.9545 -0.9504 -0.9504 -0.3753 -0.3753 -0.3737 -0.3737 0.3208 0.3208 0.3340 0.3340 1.1990 1.1990 1.2078 1.2078 1.6763 1.6763 1.6908 1.6908 3.2246 3.2246 3.2598 3.2598 3.3980 3.3980 3.4538 3.4538 3.7165 3.7165 3.8004 3.8004 3.9406 3.9406 3.9761 3.9761 5.0487 5.0487 5.0768 5.0768 13.3153 13.3153 13.3178 13.3178 14.7843 14.7843 14.7954 14.7954 k = 0.5000 0.7163-0.1987 ( 2762 PWs) bands (ev): -17.9867 -17.9867 -17.9853 -17.9853 -17.8187 -17.8187 -17.8180 -17.8180 -1.8112 -1.8112 -1.8087 -1.8087 -0.9583 -0.9583 -0.9543 -0.9543 -0.3878 -0.3878 -0.3865 -0.3865 0.3389 0.3389 0.3508 0.3508 1.2093 1.2093 1.2179 1.2179 1.6875 1.6875 1.7013 1.7013 3.2341 3.2341 3.2699 3.2699 3.4013 3.4013 3.4562 3.4562 3.7082 3.7082 3.7935 3.7935 3.9542 3.9542 3.9874 3.9874 5.0320 5.0320 5.0596 5.0596 13.3006 13.3006 13.3028 13.3028 14.8352 14.8352 14.8465 14.8465 k = 0.5000 0.7179-0.2126 ( 2764 PWs) bands (ev): -17.9890 -17.9890 -17.9877 -17.9877 -17.8160 -17.8160 -17.8154 -17.8154 -1.8253 -1.8253 -1.8229 -1.8229 -0.9614 -0.9614 -0.9575 -0.9575 -0.4009 -0.4009 -0.3998 -0.3998 0.3568 0.3568 0.3677 0.3677 1.2186 1.2186 1.2269 1.2269 1.6991 1.6991 1.7121 1.7121 3.2437 3.2437 3.2799 3.2799 3.4045 3.4045 3.4588 3.4588 3.6995 3.6995 3.7858 3.7858 3.9684 3.9684 3.9997 3.9997 5.0152 5.0152 5.0422 5.0422 13.2863 13.2863 13.2882 13.2882 14.8873 14.8873 14.8988 14.8988 k = 0.5000 0.7196-0.2266 ( 2766 PWs) bands (ev): -17.9913 -17.9913 -17.9900 -17.9900 -17.8135 -17.8135 -17.8129 -17.8129 -1.8388 -1.8388 -1.8366 -1.8366 -0.9640 -0.9640 -0.9602 -0.9602 -0.4144 -0.4144 -0.4134 -0.4134 0.3745 0.3745 0.3843 0.3843 1.2269 1.2269 1.2348 1.2348 1.7110 1.7110 1.7232 1.7232 3.2534 3.2534 3.2897 3.2897 3.4078 3.4078 3.4615 3.4615 3.6904 3.6904 3.7774 3.7774 3.9832 3.9832 4.0127 4.0127 4.9983 4.9983 5.0246 5.0246 13.2723 13.2723 13.2739 13.2739 14.9404 14.9404 14.9522 14.9522 k = 0.5000 0.7212-0.2405 ( 2768 PWs) bands (ev): -17.9934 -17.9934 -17.9923 -17.9923 -17.8110 -17.8110 -17.8104 -17.8104 -1.8516 -1.8516 -1.8496 -1.8496 -0.9660 -0.9660 -0.9623 -0.9623 -0.4280 -0.4280 -0.4271 -0.4271 0.3917 0.3917 0.4005 0.4005 1.2342 1.2342 1.2416 1.2416 1.7230 1.7230 1.7344 1.7344 3.2632 3.2632 3.2995 3.2995 3.4109 3.4109 3.4644 3.4644 3.6811 3.6811 3.7683 3.7683 3.9983 3.9983 4.0264 4.0264 4.9814 4.9814 5.0070 5.0070 13.2587 13.2587 13.2601 13.2601 14.9943 14.9943 15.0065 15.0065 k = 0.5000 0.7228-0.2544 ( 2764 PWs) bands (ev): -17.9955 -17.9955 -17.9944 -17.9944 -17.8086 -17.8086 -17.8081 -17.8081 -1.8637 -1.8637 -1.8617 -1.8617 -0.9674 -0.9674 -0.9638 -0.9638 -0.4417 -0.4417 -0.4408 -0.4408 0.4082 0.4082 0.4161 0.4161 1.2406 1.2406 1.2474 1.2474 1.7352 1.7352 1.7456 1.7456 3.2730 3.2730 3.3090 3.3090 3.4140 3.4140 3.4674 3.4674 3.6716 3.6716 3.7588 3.7588 4.0136 4.0136 4.0405 4.0405 4.9648 4.9648 4.9896 4.9896 13.2456 13.2456 13.2467 13.2467 15.0487 15.0487 15.0613 15.0613 k = 0.5000 0.7245-0.2683 ( 2766 PWs) bands (ev): -17.9975 -17.9975 -17.9965 -17.9965 -17.8064 -17.8064 -17.8058 -17.8058 -1.8748 -1.8748 -1.8731 -1.8731 -0.9682 -0.9682 -0.9647 -0.9647 -0.4552 -0.4552 -0.4544 -0.4544 0.4238 0.4238 0.4308 0.4308 1.2460 1.2460 1.2523 1.2523 1.7472 1.7472 1.7567 1.7567 3.2828 3.2828 3.3181 3.3181 3.4170 3.4170 3.4705 3.4705 3.6621 3.6621 3.7489 3.7489 4.0290 4.0290 4.0548 4.0548 4.9485 4.9485 4.9725 4.9725 13.2329 13.2329 13.2338 13.2338 15.1032 15.1032 15.1162 15.1162 k = 0.5000 0.7261-0.2823 ( 2762 PWs) bands (ev): -17.9994 -17.9994 -17.9985 -17.9985 -17.8042 -17.8042 -17.8037 -17.8037 -1.8851 -1.8851 -1.8835 -1.8835 -0.9685 -0.9685 -0.9651 -0.9651 -0.4686 -0.4686 -0.4678 -0.4678 0.4385 0.4385 0.4446 0.4446 1.2506 1.2506 1.2563 1.2563 1.7590 1.7590 1.7676 1.7676 3.2926 3.2926 3.3269 3.3269 3.4199 3.4199 3.4737 3.4737 3.6528 3.6528 3.7388 3.7388 4.0443 4.0443 4.0690 4.0690 4.9327 4.9327 4.9558 4.9558 13.2207 13.2207 13.2214 13.2214 15.1572 15.1572 15.1705 15.1705 k = 0.5000 0.7277-0.2962 ( 2770 PWs) bands (ev): -18.0012 -18.0012 -18.0005 -18.0005 -17.8021 -17.8021 -17.8017 -17.8017 -1.8943 -1.8943 -1.8929 -1.8929 -0.9683 -0.9683 -0.9650 -0.9650 -0.4816 -0.4816 -0.4808 -0.4808 0.4520 0.4520 0.4572 0.4572 1.2543 1.2543 1.2594 1.2594 1.7705 1.7705 1.7781 1.7781 3.3021 3.3021 3.3350 3.3350 3.4227 3.4227 3.4768 3.4768 3.6436 3.6436 3.7284 3.7284 4.0592 4.0592 4.0830 4.0830 4.9177 4.9177 4.9398 4.9398 13.2090 13.2090 13.2095 13.2095 15.2094 15.2094 15.2229 15.2229 k = 0.5000 0.7294-0.3101 ( 2776 PWs) bands (ev): -18.0030 -18.0030 -18.0023 -18.0023 -17.8002 -17.8002 -17.7997 -17.7997 -1.9026 -1.9026 -1.9013 -1.9013 -0.9675 -0.9675 -0.9643 -0.9643 -0.4942 -0.4942 -0.4934 -0.4934 0.4642 0.4642 0.4687 0.4687 1.2572 1.2572 1.2617 1.2617 1.7815 1.7815 1.7882 1.7882 3.3116 3.3116 3.3427 3.3427 3.4254 3.4254 3.4797 3.4797 3.6351 3.6351 3.7180 3.7180 4.0737 4.0737 4.0964 4.0964 4.9036 4.9036 4.9245 4.9245 13.1978 13.1978 13.1982 13.1982 15.2577 15.2577 15.2708 15.2708 k = 0.5000 0.7310-0.3241 ( 2778 PWs) bands (ev): -18.0046 -18.0046 -18.0040 -18.0040 -17.7984 -17.7984 -17.7980 -17.7980 -1.9096 -1.9096 -1.9086 -1.9086 -0.9662 -0.9662 -0.9632 -0.9632 -0.5063 -0.5063 -0.5055 -0.5055 0.4752 0.4752 0.4789 0.4789 1.2594 1.2594 1.2633 1.2633 1.7919 1.7919 1.7977 1.7977 3.3208 3.3208 3.3497 3.3497 3.4280 3.4280 3.4823 3.4823 3.6273 3.6273 3.7077 3.7077 4.0873 4.0873 4.1090 4.1090 4.8907 4.8907 4.9104 4.9104 13.1871 13.1871 13.1873 13.1873 15.2980 15.2980 15.3093 15.3093 k = 0.5000 0.7326-0.3380 ( 2776 PWs) bands (ev): -18.0061 -18.0061 -18.0056 -18.0056 -17.7967 -17.7967 -17.7963 -17.7963 -1.9156 -1.9156 -1.9147 -1.9147 -0.9645 -0.9645 -0.9616 -0.9616 -0.5178 -0.5178 -0.5170 -0.5170 0.4848 0.4848 0.4877 0.4877 1.2610 1.2610 1.2642 1.2642 1.8016 1.8016 1.8066 1.8066 3.3296 3.3296 3.3561 3.3561 3.4305 3.4305 3.4842 3.4842 3.6207 3.6207 3.6975 3.6975 4.1000 4.1000 4.1206 4.1206 4.8792 4.8792 4.8975 4.8975 13.1770 13.1770 13.1771 13.1771 15.3237 15.3237 15.3310 15.3310 k = 0.5000 0.7326-0.3380 ( 2776 PWs) bands (ev): -18.0061 -18.0061 -18.0056 -18.0056 -17.7967 -17.7967 -17.7963 -17.7963 -1.9156 -1.9156 -1.9147 -1.9147 -0.9645 -0.9645 -0.9616 -0.9616 -0.5178 -0.5178 -0.5170 -0.5170 0.4848 0.4848 0.4877 0.4877 1.2610 1.2610 1.2642 1.2642 1.8016 1.8016 1.8066 1.8066 3.3296 3.3296 3.3561 3.3561 3.4305 3.4305 3.4842 3.4842 3.6207 3.6207 3.6975 3.6975 4.1000 4.1000 4.1206 4.1206 4.8792 4.8792 4.8975 4.8975 13.1770 13.1770 13.1771 13.1771 15.3237 15.3237 15.3310 15.3310 k = 0.5000 0.7256-0.3494 ( 2780 PWs) bands (ev): -18.0074 -18.0074 -18.0069 -18.0069 -17.7948 -17.7948 -17.7945 -17.7945 -1.9193 -1.9193 -1.9186 -1.9186 -0.9602 -0.9602 -0.9575 -0.9575 -0.5353 -0.5353 -0.5345 -0.5345 0.4894 0.4894 0.4918 0.4918 1.2620 1.2620 1.2648 1.2648 1.8154 1.8154 1.8196 1.8196 3.3392 3.3392 3.3613 3.3613 3.4317 3.4317 3.4832 3.4832 3.6167 3.6167 3.6875 3.6875 4.1091 4.1091 4.1271 4.1271 4.8724 4.8724 4.8885 4.8885 13.1729 13.1729 13.1729 13.1729 15.3251 15.3251 15.3315 15.3315 k = 0.5000 0.7186-0.3609 ( 2780 PWs) bands (ev): -18.0084 -18.0084 -18.0081 -18.0081 -17.7932 -17.7932 -17.7929 -17.7929 -1.9225 -1.9225 -1.9218 -1.9218 -0.9560 -0.9560 -0.9537 -0.9537 -0.5507 -0.5507 -0.5499 -0.5499 0.4933 0.4933 0.4953 0.4953 1.2629 1.2629 1.2651 1.2651 1.8274 1.8274 1.8309 1.8309 3.3483 3.3483 3.3658 3.3658 3.4333 3.4333 3.4808 3.4808 3.6147 3.6147 3.6775 3.6775 4.1176 4.1176 4.1328 4.1328 4.8666 4.8666 4.8804 4.8804 13.1688 13.1688 13.1689 13.1689 15.3257 15.3257 15.3311 15.3311 k = 0.5000 0.7117-0.3723 ( 2784 PWs) bands (ev): -18.0093 -18.0093 -18.0090 -18.0090 -17.7918 -17.7918 -17.7916 -17.7916 -1.9251 -1.9251 -1.9245 -1.9245 -0.9521 -0.9521 -0.9502 -0.9502 -0.5636 -0.5636 -0.5629 -0.5629 0.4966 0.4966 0.4981 0.4981 1.2635 1.2635 1.2653 1.2653 1.8375 1.8375 1.8403 1.8403 3.3564 3.3564 3.3695 3.3695 3.4354 3.4354 3.4769 3.4769 3.6147 3.6147 3.6677 3.6677 4.1252 4.1252 4.1375 4.1375 4.8619 4.8619 4.8732 4.8732 13.1652 13.1652 13.1653 13.1653 15.3261 15.3261 15.3303 15.3303 k = 0.5000 0.7047-0.3837 ( 2782 PWs) bands (ev): -18.0100 -18.0100 -18.0098 -18.0098 -17.7908 -17.7908 -17.7906 -17.7906 -1.9270 -1.9270 -1.9266 -1.9266 -0.9488 -0.9488 -0.9473 -0.9473 -0.5739 -0.5739 -0.5733 -0.5733 0.4991 0.4991 0.5003 0.5003 1.2640 1.2640 1.2654 1.2654 1.8455 1.8455 1.8476 1.8476 3.3633 3.3633 3.3724 3.3724 3.4383 3.4383 3.4719 3.4719 3.6167 3.6167 3.6581 3.6581 4.1317 4.1317 4.1410 4.1410 4.8585 4.8585 4.8671 4.8671 13.1622 13.1622 13.1623 13.1623 15.3262 15.3262 15.3294 15.3294 k = 0.5000 0.6977-0.3951 ( 2776 PWs) bands (ev): -18.0105 -18.0105 -18.0103 -18.0103 -17.7900 -17.7900 -17.7899 -17.7899 -1.9284 -1.9284 -1.9281 -1.9281 -0.9462 -0.9462 -0.9452 -0.9452 -0.5814 -0.5814 -0.5810 -0.5810 0.5010 0.5010 0.5018 0.5018 1.2644 1.2644 1.2653 1.2653 1.8514 1.8514 1.8527 1.8527 3.3687 3.3687 3.3743 3.3743 3.4423 3.4423 3.4660 3.4660 3.6206 3.6206 3.6490 3.6490 4.1369 4.1369 4.1432 4.1432 4.8564 4.8564 4.8622 4.8622 13.1600 13.1600 13.1600 13.1600 15.3264 15.3264 15.3286 15.3286 k = 0.5000 0.6907-0.4065 ( 2772 PWs) bands (ev): -18.0107 -18.0107 -18.0107 -18.0107 -17.7895 -17.7895 -17.7894 -17.7894 -1.9292 -1.9292 -1.9291 -1.9291 -0.9445 -0.9445 -0.9440 -0.9440 -0.5859 -0.5859 -0.5857 -0.5857 0.5022 0.5022 0.5026 0.5026 1.2647 1.2647 1.2652 1.2652 1.8551 1.8551 1.8558 1.8558 3.3725 3.3725 3.3751 3.3751 3.4473 3.4473 3.4596 3.4596 3.6261 3.6261 3.6405 3.6405 4.1407 4.1407 4.1439 4.1439 4.8557 4.8557 4.8586 4.8586 13.1586 13.1586 13.1586 13.1586 15.3267 15.3267 15.3278 15.3278 k = 0.5000 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0108 -18.0108 -18.0108 -18.0108 -17.7893 -17.7893 -17.7893 -17.7893 -1.9294 -1.9294 -1.9294 -1.9294 -0.9437 -0.9437 -0.9437 -0.9437 -0.5874 -0.5874 -0.5874 -0.5874 0.5028 0.5028 0.5028 0.5028 1.2650 1.2650 1.2650 1.2650 1.8565 1.8565 1.8565 1.8565 3.3745 3.3745 3.3745 3.3745 3.4532 3.4532 3.4532 3.4532 3.6328 3.6328 3.6328 3.6328 4.1431 4.1431 4.1431 4.1431 4.8564 4.8564 4.8564 4.8564 13.1581 13.1581 13.1581 13.1581 15.3272 15.3272 15.3272 15.3272 k = 0.5000 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0108 -18.0108 -18.0108 -18.0108 -17.7893 -17.7893 -17.7893 -17.7893 -1.9294 -1.9294 -1.9294 -1.9294 -0.9437 -0.9437 -0.9437 -0.9437 -0.5874 -0.5874 -0.5874 -0.5874 0.5028 0.5028 0.5028 0.5028 1.2650 1.2650 1.2650 1.2650 1.8565 1.8565 1.8565 1.8565 3.3745 3.3745 3.3745 3.3745 3.4532 3.4532 3.4532 3.4532 3.6328 3.6328 3.6328 3.6328 4.1431 4.1431 4.1431 4.1431 4.8564 4.8564 4.8564 4.8564 13.1581 13.1581 13.1581 13.1581 15.3272 15.3272 15.3272 15.3272 k = 0.4857 0.6837-0.4180 ( 2774 PWs) bands (ev): -18.0132 -18.0132 -18.0083 -18.0083 -17.7947 -17.7947 -17.7840 -17.7840 -1.9430 -1.9430 -1.9145 -1.9145 -0.9464 -0.9464 -0.9414 -0.9414 -0.5910 -0.5910 -0.5824 -0.5824 0.4963 0.4963 0.5084 0.5084 1.2446 1.2446 1.2843 1.2843 1.8556 1.8556 1.8566 1.8566 3.3673 3.3673 3.3796 3.3796 3.4423 3.4423 3.4648 3.4648 3.6248 3.6248 3.6416 3.6416 4.1330 4.1330 4.1515 4.1515 4.8297 4.8297 4.8853 4.8853 13.1362 13.1362 13.1808 13.1808 15.2738 15.2738 15.3775 15.3775 k = 0.4714 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0156 -18.0156 -18.0058 -18.0058 -17.8002 -17.8002 -17.7788 -17.7788 -1.9552 -1.9552 -1.8982 -1.8982 -0.9492 -0.9492 -0.9396 -0.9396 -0.5932 -0.5932 -0.5763 -0.5763 0.4889 0.4889 0.5131 0.5131 1.2232 1.2232 1.3026 1.3026 1.8539 1.8539 1.8559 1.8559 3.3577 3.3577 3.3826 3.3826 3.4331 3.4331 3.4765 3.4765 3.6179 3.6179 3.6511 3.6511 4.1215 4.1215 4.1579 4.1579 4.8052 4.8052 4.9157 4.9157 13.1151 13.1151 13.2041 13.2041 15.2193 15.2193 15.4210 15.4210 k = 0.4571 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0178 -18.0178 -18.0032 -18.0032 -17.8057 -17.8057 -17.7736 -17.7736 -1.9660 -1.9660 -1.8805 -1.8805 -0.9521 -0.9521 -0.9383 -0.9383 -0.5940 -0.5940 -0.5692 -0.5692 0.4806 0.4806 0.5168 0.5168 1.2009 1.2009 1.3197 1.3197 1.8513 1.8513 1.8544 1.8544 3.3458 3.3458 3.3837 3.3837 3.4260 3.4260 3.4873 3.4873 3.6127 3.6127 3.6611 3.6611 4.1089 4.1089 4.1621 4.1621 4.7835 4.7835 4.9476 4.9476 13.0949 13.0949 13.2280 13.2280 15.1645 15.1645 15.4506 15.4506 k = 0.4429 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0200 -18.0200 -18.0006 -18.0006 -17.8113 -17.8113 -17.7686 -17.7686 -1.9755 -1.9755 -1.8613 -1.8613 -0.9549 -0.9549 -0.9378 -0.9378 -0.5932 -0.5932 -0.5611 -0.5611 0.4715 0.4715 0.5197 0.5197 1.1777 1.1777 1.3357 1.3357 1.8478 1.8478 1.8521 1.8521 3.3320 3.3320 3.3828 3.3828 3.4211 3.4211 3.4965 3.4965 3.6096 3.6096 3.6715 3.6715 4.0954 4.0954 4.1637 4.1637 4.7648 4.7648 4.9805 4.9805 13.0755 13.0755 13.2524 13.2524 15.1100 15.1100 15.4589 15.4589 k = 0.4286 0.6837-0.4180 ( 2782 PWs) bands (ev): -18.0221 -18.0221 -17.9979 -17.9979 -17.8170 -17.8170 -17.7637 -17.7637 -1.9838 -1.9838 -1.8409 -1.8409 -0.9574 -0.9574 -0.9379 -0.9379 -0.5909 -0.5909 -0.5522 -0.5522 0.4614 0.4614 0.5217 0.5217 1.1538 1.1538 1.3505 1.3505 1.8434 1.8434 1.8491 1.8491 3.3164 3.3164 3.3801 3.3801 3.4181 3.4181 3.5031 3.5031 3.6093 3.6093 3.6822 3.6822 4.0813 4.0813 4.1626 4.1626 4.7493 4.7493 5.0143 5.0143 13.0572 13.0572 13.2773 13.2773 15.0562 15.0562 15.4474 15.4474 k = 0.4143 0.6837-0.4180 ( 2788 PWs) bands (ev): -18.0241 -18.0241 -17.9952 -17.9952 -17.8227 -17.8227 -17.7590 -17.7590 -1.9907 -1.9907 -1.8190 -1.8190 -0.9596 -0.9596 -0.9389 -0.9389 -0.5872 -0.5872 -0.5427 -0.5427 0.4505 0.4505 0.5228 0.5228 1.1291 1.1291 1.3642 1.3642 1.8381 1.8381 1.8455 1.8455 3.2998 3.2998 3.3760 3.3760 3.4165 3.4165 3.5066 3.5066 3.6120 3.6120 3.6931 3.6931 4.0668 4.0668 4.1587 4.1587 4.7371 4.7371 5.0487 5.0487 13.0398 13.0398 13.3025 13.3025 15.0033 15.0033 15.4243 15.4243 k = 0.4000 0.6837-0.4180 ( 2790 PWs) bands (ev): -18.0261 -18.0261 -17.9925 -17.9925 -17.8284 -17.8284 -17.7543 -17.7543 -1.9963 -1.9963 -1.7958 -1.7958 -0.9614 -0.9614 -0.9405 -0.9405 -0.5821 -0.5821 -0.5326 -0.5326 0.4387 0.4387 0.5230 0.5230 1.1039 1.1039 1.3769 1.3769 1.8319 1.8319 1.8412 1.8412 3.2823 3.2823 3.3710 3.3710 3.4155 3.4155 3.5074 3.5074 3.6176 3.6176 3.7042 3.7042 4.0520 4.0520 4.1520 4.1520 4.7283 4.7283 5.0834 5.0834 13.0234 13.0234 13.3279 13.3279 14.9515 14.9515 15.3953 15.3953 k = 0.3857 0.6837-0.4180 ( 2790 PWs) bands (ev): -18.0278 -18.0278 -17.9898 -17.9898 -17.8341 -17.8341 -17.7498 -17.7498 -2.0008 -2.0008 -1.7713 -1.7713 -0.9626 -0.9626 -0.9429 -0.9429 -0.5757 -0.5757 -0.5221 -0.5221 0.4261 0.4261 0.5223 0.5223 1.0782 1.0782 1.3884 1.3884 1.8248 1.8248 1.8363 1.8363 3.2643 3.2643 3.3653 3.3653 3.4147 3.4147 3.5058 3.5058 3.6256 3.6256 3.7154 3.7154 4.0372 4.0372 4.1427 4.1427 4.7227 4.7227 5.1182 5.1182 13.0080 13.0080 13.3535 13.3535 14.9010 14.9010 15.3631 15.3631 k = 0.3714 0.6837-0.4180 ( 2786 PWs) bands (ev): -18.0295 -18.0295 -17.9871 -17.9871 -17.8398 -17.8398 -17.7455 -17.7455 -2.0041 -2.0041 -1.7454 -1.7454 -0.9632 -0.9632 -0.9458 -0.9458 -0.5683 -0.5683 -0.5113 -0.5113 0.4126 0.4126 0.5209 0.5209 1.0523 1.0523 1.3990 1.3990 1.8169 1.8169 1.8309 1.8309 3.2461 3.2461 3.3590 3.3590 3.4140 3.4140 3.5027 3.5027 3.6350 3.6350 3.7267 3.7267 4.0225 4.0225 4.1311 4.1311 4.7202 4.7202 5.1531 5.1531 12.9937 12.9937 13.3792 13.3792 14.8519 14.8519 15.3291 15.3291 k = 0.3571 0.6837-0.4180 ( 2782 PWs) bands (ev): -18.0311 -18.0311 -17.9844 -17.9844 -17.8456 -17.8456 -17.7412 -17.7412 -2.0063 -2.0063 -1.7183 -1.7183 -0.9632 -0.9632 -0.9492 -0.9492 -0.5601 -0.5601 -0.5002 -0.5002 0.3981 0.3981 0.5186 0.5186 1.0261 1.0261 1.4085 1.4085 1.8080 1.8080 1.8250 1.8250 3.2278 3.2278 3.3522 3.3522 3.4130 3.4130 3.4986 3.4986 3.6453 3.6453 3.7380 3.7380 4.0080 4.0080 4.1175 4.1175 4.7204 4.7204 5.1878 5.1878 12.9804 12.9804 13.4049 13.4049 14.8042 14.8042 15.2937 15.2937 k = 0.3429 0.6837-0.4180 ( 2786 PWs) bands (ev): -18.0325 -18.0325 -17.9817 -17.9817 -17.8513 -17.8513 -17.7371 -17.7371 -2.0075 -2.0075 -1.6900 -1.6900 -0.9627 -0.9627 -0.9528 -0.9528 -0.5512 -0.5512 -0.4891 -0.4891 0.3828 0.3828 0.5157 0.5157 1.0000 1.0000 1.4171 1.4171 1.7982 1.7982 1.8187 1.8187 3.2094 3.2094 3.3450 3.3450 3.4117 3.4117 3.4940 3.4940 3.6559 3.6559 3.7492 3.7492 3.9938 3.9938 4.1023 4.1023 4.7228 4.7228 5.2221 5.2221 12.9682 12.9682 13.4305 13.4305 14.7580 14.7580 15.2573 15.2573 k = 0.3286 0.6837-0.4180 ( 2788 PWs) bands (ev): -18.0338 -18.0338 -17.9791 -17.9791 -17.8570 -17.8570 -17.7332 -17.7332 -2.0077 -2.0077 -1.6604 -1.6604 -0.9627 -0.9627 -0.9554 -0.9554 -0.5420 -0.5420 -0.4779 -0.4779 0.3665 0.3665 0.5121 0.5121 0.9739 0.9739 1.4248 1.4248 1.7876 1.7876 1.8120 1.8120 3.1912 3.1912 3.3374 3.3374 3.4101 3.4101 3.4894 3.4894 3.6665 3.6665 3.7603 3.7603 3.9801 3.9801 4.0860 4.0860 4.7272 4.7272 5.2560 5.2560 12.9570 12.9570 13.4558 13.4558 14.7134 14.7134 15.2202 15.2202 k = 0.3143 0.6837-0.4180 ( 2798 PWs) bands (ev): -18.0351 -18.0351 -17.9765 -17.9765 -17.8626 -17.8626 -17.7295 -17.7295 -2.0070 -2.0070 -1.6298 -1.6298 -0.9653 -0.9653 -0.9550 -0.9550 -0.5328 -0.5328 -0.4668 -0.4668 0.3494 0.3494 0.5080 0.5080 0.9482 0.9482 1.4316 1.4316 1.7763 1.7763 1.8049 1.8049 3.1731 3.1731 3.3293 3.3293 3.4080 3.4080 3.4848 3.4848 3.6769 3.6769 3.7712 3.7712 3.9671 3.9671 4.0688 4.0688 4.7332 4.7332 5.2893 5.2893 12.9467 12.9467 13.4809 13.4809 14.6703 14.6703 15.1826 15.1826 k = 0.3000 0.6837-0.4180 ( 2798 PWs) bands (ev): -18.0361 -18.0361 -17.9739 -17.9739 -17.8682 -17.8682 -17.7258 -17.7258 -2.0054 -2.0054 -1.5979 -1.5979 -0.9696 -0.9696 -0.9521 -0.9521 -0.5237 -0.5237 -0.4558 -0.4558 0.3313 0.3313 0.5034 0.5034 0.9230 0.9230 1.4377 1.4377 1.7641 1.7641 1.7976 1.7976 3.1554 3.1554 3.3209 3.3209 3.4055 3.4055 3.4805 3.4805 3.6869 3.6869 3.7818 3.7818 3.9547 3.9547 4.0513 4.0513 4.7404 4.7404 5.3218 5.3218 12.9375 12.9375 13.5055 13.5055 14.6289 14.6289 15.1447 15.1447 k = 0.2857 0.6837-0.4180 ( 2794 PWs) bands (ev): -18.0371 -18.0371 -17.9714 -17.9714 -17.8737 -17.8737 -17.7224 -17.7224 -2.0031 -2.0031 -1.5651 -1.5651 -0.9745 -0.9745 -0.9478 -0.9478 -0.5151 -0.5151 -0.4451 -0.4451 0.3124 0.3124 0.4986 0.4986 0.8984 0.8984 1.4431 1.4431 1.7513 1.7513 1.7901 1.7901 3.1381 3.1381 3.3122 3.3122 3.4027 3.4027 3.4765 3.4765 3.6964 3.6964 3.7920 3.7920 3.9432 3.9432 4.0338 4.0338 4.7486 4.7486 5.3536 5.3536 12.9292 12.9292 13.5298 13.5298 14.5891 14.5891 15.1067 15.1067 k = 0.2714 0.6837-0.4180 ( 2792 PWs) bands (ev): -18.0379 -18.0379 -17.9689 -17.9689 -17.8791 -17.8791 -17.7191 -17.7191 -2.0000 -2.0000 -1.5313 -1.5313 -0.9795 -0.9795 -0.9424 -0.9424 -0.5073 -0.5073 -0.4347 -0.4347 0.2926 0.2926 0.4936 0.4936 0.8746 0.8746 1.4477 1.4477 1.7378 1.7378 1.7825 1.7825 3.1211 3.1211 3.3032 3.3032 3.3996 3.3996 3.4728 3.4728 3.7054 3.7054 3.8016 3.8016 3.9329 3.9329 4.0165 4.0165 4.7575 4.7575 5.3844 5.3844 12.9219 12.9219 13.5535 13.5535 14.5511 14.5511 15.0690 15.0690 k = 0.2571 0.6837-0.4180 ( 2788 PWs) bands (ev): -18.0385 -18.0385 -17.9665 -17.9665 -17.8844 -17.8844 -17.7160 -17.7160 -1.9964 -1.9964 -1.4965 -1.4965 -0.9846 -0.9846 -0.9360 -0.9360 -0.5005 -0.5005 -0.4248 -0.4248 0.2720 0.2720 0.4887 0.4887 0.8516 0.8516 1.4517 1.4517 1.7238 1.7238 1.7747 1.7747 3.1047 3.1047 3.2940 3.2940 3.3962 3.3962 3.4696 3.4696 3.7137 3.7137 3.8105 3.8105 3.9237 3.9237 3.9996 3.9996 4.7667 4.7667 5.4141 5.4141 12.9154 12.9154 13.5766 13.5766 14.5147 14.5147 15.0316 15.0316 k = 0.2429 0.6837-0.4180 ( 2784 PWs) bands (ev): -18.0391 -18.0391 -17.9642 -17.9642 -17.8896 -17.8896 -17.7130 -17.7130 -1.9922 -1.9922 -1.4609 -1.4609 -0.9897 -0.9897 -0.9287 -0.9287 -0.4952 -0.4952 -0.4153 -0.4153 0.2507 0.2507 0.4839 0.4839 0.8298 0.8298 1.4552 1.4552 1.7093 1.7093 1.7670 1.7670 3.0889 3.0889 3.2847 3.2847 3.3926 3.3926 3.4666 3.4666 3.7213 3.7213 3.8183 3.8183 3.9161 3.9161 3.9833 3.9833 4.7763 4.7763 5.4428 5.4428 12.9097 12.9097 13.5991 13.5991 14.4800 14.4800 14.9948 14.9948 k = 0.2286 0.6837-0.4180 ( 2784 PWs) bands (ev): -18.0395 -18.0395 -17.9620 -17.9620 -17.8947 -17.8947 -17.7102 -17.7102 -1.9876 -1.9876 -1.4245 -1.4245 -0.9946 -0.9946 -0.9204 -0.9204 -0.4914 -0.4914 -0.4065 -0.4065 0.2288 0.2288 0.4795 0.4795 0.8090 0.8090 1.4581 1.4581 1.6945 1.6945 1.7592 1.7592 3.0737 3.0737 3.2751 3.2751 3.3888 3.3888 3.4640 3.4640 3.7281 3.7281 3.8248 3.8248 3.9101 3.9101 3.9680 3.9680 4.7859 4.7859 5.4702 5.4702 12.9048 12.9048 13.6208 13.6208 14.4470 14.4470 14.9589 14.9589 k = 0.2143 0.6837-0.4180 ( 2784 PWs) bands (ev): -18.0398 -18.0398 -17.9599 -17.9599 -17.8996 -17.8996 -17.7076 -17.7076 -1.9827 -1.9827 -1.3875 -1.3875 -0.9994 -0.9994 -0.9113 -0.9113 -0.4896 -0.4896 -0.3983 -0.3983 0.2065 0.2065 0.4755 0.4755 0.7895 0.7895 1.4604 1.4604 1.6795 1.6795 1.7516 1.7516 3.0592 3.0592 3.2656 3.2656 3.3850 3.3850 3.4616 3.4616 3.7340 3.7340 3.8297 3.8297 3.9061 3.9061 3.9536 3.9536 4.7954 4.7954 5.4964 5.4964 12.9006 12.9006 13.6418 13.6418 14.4157 14.4157 14.9240 14.9240 k = 0.2000 0.6837-0.4180 ( 2780 PWs) bands (ev): -18.0400 -18.0400 -17.9579 -17.9579 -17.9043 -17.9043 -17.7051 -17.7051 -1.9775 -1.9775 -1.3499 -1.3499 -1.0039 -1.0039 -0.9013 -0.9013 -0.4900 -0.4900 -0.3910 -0.3910 0.1839 0.1839 0.4722 0.4722 0.7713 0.7713 1.4622 1.4622 1.6645 1.6645 1.7441 1.7441 3.0454 3.0454 3.2561 3.2561 3.3811 3.3811 3.4594 3.4594 3.7391 3.7391 3.8328 3.8328 3.9042 3.9042 3.9406 3.9406 4.8048 4.8048 5.5212 5.5212 12.8971 12.8971 13.6619 13.6619 14.3861 14.3861 14.8904 14.8904 k = 0.1857 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0401 -18.0401 -17.9559 -17.9559 -17.9089 -17.9089 -17.7028 -17.7028 -1.9721 -1.9721 -1.3118 -1.3118 -1.0082 -1.0082 -0.8906 -0.8906 -0.4927 -0.4927 -0.3844 -0.3844 0.1612 0.1612 0.4697 0.4697 0.7544 0.7544 1.4635 1.4635 1.6496 1.6496 1.7368 1.7368 3.0323 3.0323 3.2467 3.2467 3.3774 3.3774 3.4575 3.4575 3.7433 3.7433 3.8343 3.8343 3.9039 3.9039 3.9293 3.9293 4.8139 4.8139 5.5446 5.5446 12.8942 12.8942 13.6811 13.6811 14.3583 14.3583 14.8583 14.8583 k = 0.1714 0.6837-0.4180 ( 2780 PWs) bands (ev): -18.0401 -18.0401 -17.9541 -17.9541 -17.9133 -17.9133 -17.7007 -17.7007 -1.9667 -1.9667 -1.2735 -1.2735 -1.0122 -1.0122 -0.8792 -0.8792 -0.4979 -0.4979 -0.3789 -0.3789 0.1386 0.1386 0.4680 0.4680 0.7389 0.7389 1.4643 1.4643 1.6350 1.6350 1.7298 1.7298 3.0200 3.0200 3.2375 3.2375 3.3737 3.3737 3.4557 3.4557 3.7465 3.7465 3.8344 3.8344 3.9036 3.9036 3.9208 3.9208 4.8225 4.8225 5.5665 5.5665 12.8918 12.8918 13.6994 13.6994 14.3322 14.3322 14.8277 14.8277 k = 0.1571 0.6837-0.4180 ( 2782 PWs) bands (ev): -18.0400 -18.0400 -17.9524 -17.9524 -17.9174 -17.9174 -17.6988 -17.6988 -1.9613 -1.9613 -1.2350 -1.2350 -1.0157 -1.0157 -0.8673 -0.8673 -0.5057 -0.5057 -0.3743 -0.3743 0.1165 0.1165 0.4671 0.4671 0.7248 0.7248 1.4645 1.4645 1.6210 1.6210 1.7231 1.7231 3.0086 3.0086 3.2286 3.2286 3.3702 3.3702 3.4540 3.4540 3.7487 3.7487 3.8335 3.8335 3.9002 3.9002 3.9179 3.9179 4.8307 4.8307 5.5868 5.5868 12.8899 12.8899 13.7167 13.7167 14.3078 14.3078 14.7990 14.7990 k = 0.1429 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0398 -18.0398 -17.9509 -17.9509 -17.9213 -17.9213 -17.6970 -17.6970 -1.9561 -1.9561 -1.1966 -1.1966 -1.0186 -1.0186 -0.8550 -0.8550 -0.5162 -0.5162 -0.3708 -0.3708 0.0951 0.0951 0.4671 0.4671 0.7120 0.7120 1.4642 1.4642 1.6077 1.6077 1.7168 1.7168 2.9980 2.9980 3.2201 3.2201 3.3669 3.3669 3.4526 3.4526 3.7502 3.7502 3.8322 3.8322 3.8941 3.8941 3.9196 3.9196 4.8384 4.8384 5.6056 5.6056 12.8884 12.8884 13.7330 13.7330 14.2853 14.2853 14.7722 14.7722 k = 0.1286 0.6837-0.4180 ( 2774 PWs) bands (ev): -18.0396 -18.0396 -17.9495 -17.9495 -17.9249 -17.9249 -17.6954 -17.6954 -1.9510 -1.9510 -1.1588 -1.1588 -1.0208 -1.0208 -0.8424 -0.8424 -0.5293 -0.5293 -0.3685 -0.3685 0.0748 0.0748 0.4678 0.4678 0.7006 0.7006 1.4633 1.4633 1.5954 1.5954 1.7110 1.7110 2.9884 2.9884 3.2122 3.2122 3.3638 3.3638 3.4513 3.4513 3.7509 3.7509 3.8304 3.8304 3.8881 3.8881 3.9231 3.9231 4.8455 4.8455 5.6227 5.6227 12.8873 12.8873 13.7481 13.7481 14.2645 14.2645 14.7475 14.7475 k = 0.1143 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0393 -18.0393 -17.9482 -17.9482 -17.9282 -17.9282 -17.6940 -17.6940 -1.9463 -1.9463 -1.1222 -1.1222 -1.0216 -1.0216 -0.8298 -0.8298 -0.5449 -0.5449 -0.3672 -0.3672 0.0558 0.0558 0.4693 0.4693 0.6905 0.6905 1.4618 1.4618 1.5843 1.5843 1.7056 1.7056 2.9796 2.9796 3.2047 3.2047 3.3610 3.3610 3.4501 3.4501 3.7511 3.7511 3.8284 3.8284 3.8829 3.8829 3.9270 3.9270 4.8520 4.8520 5.6382 5.6382 12.8865 12.8865 13.7621 13.7621 14.2456 14.2456 14.7251 14.7251 k = 0.1000 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0390 -18.0390 -17.9471 -17.9471 -17.9312 -17.9312 -17.6928 -17.6928 -1.9419 -1.9419 -1.0888 -1.0888 -1.0194 -1.0194 -0.8174 -0.8174 -0.5629 -0.5629 -0.3670 -0.3670 0.0383 0.0383 0.4712 0.4712 0.6817 0.6817 1.4598 1.4598 1.5745 1.5745 1.7007 1.7007 2.9719 2.9719 3.1980 3.1980 3.3585 3.3585 3.4490 3.4490 3.7508 3.7508 3.8263 3.8263 3.8790 3.8790 3.9308 3.9308 4.8577 4.8577 5.6519 5.6519 12.8860 12.8860 13.7748 13.7748 14.2286 14.2286 14.7050 14.7050 k = 0.0857 0.6837-0.4180 ( 2772 PWs) bands (ev): -18.0387 -18.0387 -17.9461 -17.9461 -17.9338 -17.9338 -17.6917 -17.6917 -1.9379 -1.9379 -1.0636 -1.0636 -1.0095 -1.0095 -0.8056 -0.8056 -0.5828 -0.5828 -0.3677 -0.3677 0.0228 0.0228 0.4734 0.4734 0.6741 0.6741 1.4574 1.4574 1.5662 1.5662 1.6964 1.6964 2.9651 2.9651 3.1920 3.1920 3.3562 3.3562 3.4481 3.4481 3.7503 3.7503 3.8241 3.8241 3.8760 3.8760 3.9344 3.9344 4.8628 4.8628 5.6638 5.6638 12.8856 12.8856 13.7861 13.7861 14.2135 14.2135 14.6873 14.6873 k = 0.0714 0.6837-0.4180 ( 2774 PWs) bands (ev): -18.0384 -18.0384 -17.9454 -17.9454 -17.9360 -17.9360 -17.6907 -17.6907 -1.9345 -1.9345 -1.0516 -1.0516 -0.9873 -0.9873 -0.7947 -0.7947 -0.6042 -0.6042 -0.3692 -0.3692 0.0094 0.0094 0.4758 0.4758 0.6678 0.6678 1.4547 1.4547 1.5594 1.5594 1.6927 1.6927 2.9593 2.9593 3.1868 3.1868 3.3543 3.3543 3.4473 3.4473 3.7497 3.7497 3.8219 3.8219 3.8740 3.8740 3.9376 3.9376 4.8671 4.8671 5.6740 5.6740 12.8854 12.8854 13.7960 13.7960 14.2005 14.2005 14.6722 14.6722 k = 0.0571 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0381 -18.0381 -17.9449 -17.9449 -17.9378 -17.9378 -17.6900 -17.6900 -1.9316 -1.9316 -1.0478 -1.0478 -0.9584 -0.9584 -0.7849 -0.7849 -0.6266 -0.6266 -0.3711 -0.3711 -0.0017 -0.0017 0.4781 0.4781 0.6626 0.6626 1.4520 1.4520 1.5541 1.5541 1.6897 1.6897 2.9546 2.9546 3.1824 3.1824 3.3527 3.3527 3.4466 3.4466 3.7490 3.7490 3.8199 3.8199 3.8726 3.8726 3.9403 3.9403 4.8706 4.8706 5.6823 5.6823 12.8853 12.8853 13.8043 13.8043 14.1897 14.1897 14.6598 14.6598 k = 0.0429 0.6837-0.4180 ( 2776 PWs) bands (ev): -18.0378 -18.0378 -17.9445 -17.9445 -17.9391 -17.9391 -17.6894 -17.6894 -1.9293 -1.9293 -1.0467 -1.0467 -0.9294 -0.9294 -0.7768 -0.7768 -0.6486 -0.6486 -0.3731 -0.3731 -0.0104 -0.0104 0.4801 0.4801 0.6587 0.6587 1.4496 1.4496 1.5501 1.5501 1.6872 1.6872 2.9508 2.9508 3.1790 3.1790 3.3515 3.3515 3.4461 3.4461 3.7484 3.7484 3.8183 3.8183 3.8718 3.8718 3.9424 3.9424 4.8734 4.8734 5.6888 5.6888 12.8852 12.8852 13.8110 13.8110 14.1811 14.1811 14.6500 14.6500 k = 0.0286 0.6837-0.4180 ( 2782 PWs) bands (ev): -18.0376 -18.0376 -17.9445 -17.9445 -17.9399 -17.9399 -17.6890 -17.6890 -1.9276 -1.9276 -1.0465 -1.0465 -0.9040 -0.9040 -0.7707 -0.7707 -0.6685 -0.6685 -0.3748 -0.3748 -0.0167 -0.0167 0.4816 0.4816 0.6559 0.6559 1.4476 1.4476 1.5473 1.5473 1.6855 1.6855 2.9482 2.9482 3.1765 3.1765 3.3505 3.3505 3.4457 3.4457 3.7479 3.7479 3.8170 3.8170 3.8713 3.8713 3.9439 3.9439 4.8754 4.8754 5.6934 5.6934 12.8852 12.8852 13.8158 13.8158 14.1749 14.1749 14.6430 14.6430 k = 0.0143 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0375 -18.0375 -17.9445 -17.9445 -17.9403 -17.9403 -17.6887 -17.6887 -1.9266 -1.9266 -1.0465 -1.0465 -0.8858 -0.8858 -0.7669 -0.7669 -0.6832 -0.6832 -0.3760 -0.3760 -0.0205 -0.0205 0.4826 0.4826 0.6542 0.6542 1.4463 1.4463 1.5457 1.5457 1.6845 1.6845 2.9466 2.9466 3.1750 3.1750 3.3500 3.3500 3.4455 3.4455 3.7476 3.7476 3.8162 3.8162 3.8711 3.8711 3.9448 3.9448 4.8767 4.8767 5.6963 5.6963 12.8852 12.8852 13.8187 13.8187 14.1711 14.1711 14.6388 14.6388 k = 0.0000 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0375 -18.0375 -17.9445 -17.9445 -17.9405 -17.9405 -17.6886 -17.6886 -1.9263 -1.9263 -1.0465 -1.0465 -0.8791 -0.8791 -0.7656 -0.7656 -0.6888 -0.6888 -0.3765 -0.3765 -0.0217 -0.0217 0.4830 0.4830 0.6536 0.6536 1.4459 1.4459 1.5452 1.5452 1.6841 1.6841 2.9461 2.9461 3.1745 3.1745 3.3498 3.3498 3.4454 3.4454 3.7475 3.7475 3.8160 3.8160 3.8710 3.8710 3.9452 3.9452 4.8771 4.8771 5.6972 5.6972 12.8852 12.8852 13.8197 13.8197 14.1699 14.1699 14.6374 14.6374 k = 0.0000 0.6837-0.4180 ( 2778 PWs) bands (ev): -18.0375 -18.0375 -17.9445 -17.9445 -17.9405 -17.9405 -17.6886 -17.6886 -1.9263 -1.9263 -1.0465 -1.0465 -0.8791 -0.8791 -0.7656 -0.7656 -0.6888 -0.6888 -0.3765 -0.3765 -0.0217 -0.0217 0.4830 0.4830 0.6536 0.6536 1.4459 1.4459 1.5452 1.5452 1.6841 1.6841 2.9461 2.9461 3.1745 3.1745 3.3498 3.3498 3.4454 3.4454 3.7475 3.7475 3.8160 3.8160 3.8710 3.8710 3.9452 3.9452 4.8771 4.8771 5.6972 5.6972 12.8852 12.8852 13.8197 13.8197 14.1699 14.1699 14.6374 14.6374 k = 0.0000 0.6907-0.4065 ( 2780 PWs) bands (ev): -18.0373 -18.0373 -17.9446 -17.9446 -17.9407 -17.9407 -17.6886 -17.6886 -1.9250 -1.9250 -1.0467 -1.0467 -0.8796 -0.8796 -0.7704 -0.7704 -0.6836 -0.6836 -0.3762 -0.3762 -0.0225 -0.0225 0.4829 0.4829 0.6544 0.6544 1.4461 1.4461 1.5449 1.5449 1.6812 1.6812 2.9478 2.9478 3.1753 3.1753 3.3502 3.3502 3.4457 3.4457 3.7477 3.7477 3.8161 3.8161 3.8710 3.8710 3.9449 3.9449 4.8768 4.8768 5.6958 5.6958 12.8863 12.8863 13.8208 13.8208 14.1438 14.1438 14.6636 14.6636 k = 0.0000 0.6977-0.3951 ( 2782 PWs) bands (ev): -18.0367 -18.0367 -17.9450 -17.9450 -17.9410 -17.9410 -17.6886 -17.6886 -1.9213 -1.9213 -1.0471 -1.0471 -0.8811 -0.8811 -0.7820 -0.7820 -0.6707 -0.6707 -0.3755 -0.3755 -0.0247 -0.0247 0.4828 0.4828 0.6568 0.6568 1.4469 1.4469 1.5437 1.5437 1.6727 1.6727 2.9532 2.9532 3.1775 3.1775 3.3511 3.3511 3.4463 3.4463 3.7481 3.7481 3.8165 3.8165 3.8711 3.8711 3.9443 3.9443 4.8759 4.8759 5.6915 5.6915 12.8895 12.8895 13.8241 13.8241 14.0782 14.0782 14.7300 14.7300 k = 0.0000 0.7047-0.3837 ( 2780 PWs) bands (ev): -18.0358 -18.0358 -17.9463 -17.9463 -17.9411 -17.9411 -17.6886 -17.6886 -1.9151 -1.9151 -1.0478 -1.0478 -0.8836 -0.8836 -0.7967 -0.7967 -0.6537 -0.6537 -0.3742 -0.3742 -0.0283 -0.0283 0.4826 0.4826 0.6608 0.6608 1.4481 1.4481 1.5419 1.5419 1.6588 1.6588 2.9619 2.9619 3.1813 3.1813 3.3527 3.3527 3.4475 3.4475 3.7489 3.7489 3.8172 3.8172 3.8712 3.8712 3.9433 3.9433 4.8744 4.8744 5.6844 5.6844 12.8948 12.8948 13.8295 13.8295 13.9916 13.9916 14.8178 14.8178 k = 0.0000 0.7117-0.3723 ( 2773 PWs) bands (ev): -18.0345 -18.0345 -17.9487 -17.9487 -17.9406 -17.9406 -17.6887 -17.6887 -1.9065 -1.9065 -1.0489 -1.0489 -0.8871 -0.8871 -0.8124 -0.8124 -0.6349 -0.6349 -0.3724 -0.3724 -0.0332 -0.0332 0.4824 0.4824 0.6663 0.6663 1.4497 1.4497 1.5394 1.5394 1.6397 1.6397 2.9737 2.9737 3.1865 3.1865 3.3549 3.3549 3.4492 3.4492 3.7498 3.7498 3.8182 3.8182 3.8715 3.8715 3.9419 3.9419 4.8724 4.8724 5.6746 5.6746 12.9021 12.9021 13.8369 13.8369 13.8952 13.8952 14.9160 14.9160 k = 0.0000 0.7186-0.3609 ( 2775 PWs) bands (ev): -18.0328 -18.0328 -17.9519 -17.9519 -17.9397 -17.9397 -17.6887 -17.6887 -1.8954 -1.8954 -1.0506 -1.0506 -0.8916 -0.8916 -0.8282 -0.8282 -0.6150 -0.6150 -0.3702 -0.3702 -0.0391 -0.0391 0.4823 0.4823 0.6731 0.6731 1.4514 1.4514 1.5363 1.5363 1.6161 1.6161 2.9883 2.9883 3.1930 3.1930 3.3577 3.3577 3.4512 3.4512 3.7509 3.7509 3.8196 3.8196 3.8719 3.8719 3.9402 3.9402 4.8697 4.8697 5.6619 5.6619 12.9116 12.9116 13.7924 13.7924 13.8476 13.8476 15.0197 15.0197 k = 0.0000 0.7256-0.3494 ( 2771 PWs) bands (ev): -18.0307 -18.0307 -17.9560 -17.9560 -17.9385 -17.9385 -17.6887 -17.6887 -1.8819 -1.8819 -1.0529 -1.0529 -0.8969 -0.8969 -0.8435 -0.8435 -0.5945 -0.5945 -0.3674 -0.3674 -0.0460 -0.0460 0.4821 0.4821 0.6813 0.6813 1.4529 1.4529 1.5325 1.5325 1.5887 1.5887 3.0053 3.0053 3.2008 3.2008 3.3610 3.3610 3.4538 3.4538 3.7521 3.7521 3.8213 3.8213 3.8725 3.8725 3.9383 3.9383 4.8666 4.8666 5.6466 5.6466 12.9231 12.9231 13.6883 13.6883 13.8591 13.8591 15.1264 15.1264 k = 0.0000 0.7326-0.3380 ( 2771 PWs) bands (ev): -18.0283 -18.0283 -17.9608 -17.9608 -17.9370 -17.9370 -17.6888 -17.6888 -1.8660 -1.8660 -1.0562 -1.0562 -0.9031 -0.9031 -0.8581 -0.8581 -0.5738 -0.5738 -0.3642 -0.3642 -0.0535 -0.0535 0.4821 0.4821 0.6906 0.6906 1.4535 1.4535 1.5276 1.5276 1.5590 1.5590 3.0244 3.0244 3.2097 3.2097 3.3649 3.3649 3.4567 3.4567 3.7533 3.7533 3.8233 3.8233 3.8733 3.8733 3.9362 3.9362 4.8630 4.8630 5.6287 5.6287 12.9367 12.9367 13.5823 13.5823 13.8729 13.8729 15.2348 15.2348 k = 0.5000 0.6349 0.4979 ( 2776 PWs) bands (ev): -18.0061 -18.0061 -18.0056 -18.0056 -17.7967 -17.7967 -17.7963 -17.7963 -1.9156 -1.9156 -1.9147 -1.9147 -0.9645 -0.9645 -0.9616 -0.9616 -0.5178 -0.5178 -0.5170 -0.5170 0.4848 0.4848 0.4877 0.4877 1.2610 1.2610 1.2642 1.2642 1.8016 1.8016 1.8066 1.8066 3.3296 3.3296 3.3561 3.3561 3.4305 3.4305 3.4842 3.4842 3.6207 3.6207 3.6975 3.6975 4.1000 4.1000 4.1206 4.1206 4.8792 4.8792 4.8975 4.8975 13.1770 13.1770 13.1771 13.1771 15.3237 15.3237 15.3310 15.3310 k = 0.5000 0.6204 0.4979 ( 2776 PWs) bands (ev): -18.0061 -18.0061 -18.0056 -18.0056 -17.7979 -17.7979 -17.7974 -17.7974 -1.9161 -1.9161 -1.9152 -1.9152 -0.9690 -0.9690 -0.9658 -0.9658 -0.5011 -0.5011 -0.5002 -0.5002 0.4893 0.4893 0.4919 0.4919 1.2601 1.2601 1.2634 1.2634 1.7887 1.7887 1.7937 1.7937 3.3248 3.3248 3.3548 3.3548 3.4323 3.4323 3.4868 3.4868 3.6210 3.6210 3.7004 3.7004 4.1014 4.1014 4.1250 4.1250 4.8764 4.8764 4.8961 4.8961 13.1683 13.1683 13.1684 13.1684 15.3292 15.3292 15.3294 15.3294 k = 0.5000 0.6060 0.4979 ( 2774 PWs) bands (ev): -18.0063 -18.0063 -18.0058 -18.0058 -17.7991 -17.7991 -17.7986 -17.7986 -1.9162 -1.9162 -1.9154 -1.9154 -0.9729 -0.9729 -0.9695 -0.9695 -0.4831 -0.4831 -0.4822 -0.4822 0.4946 0.4946 0.4969 0.4969 1.2585 1.2585 1.2618 1.2618 1.7741 1.7741 1.7792 1.7792 3.3200 3.3200 3.3534 3.3534 3.4345 3.4345 3.4893 3.4893 3.6217 3.6217 3.7031 3.7031 4.1038 4.1038 4.1304 4.1304 4.8732 4.8732 4.8944 4.8944 13.1560 13.1560 13.1561 13.1561 15.2935 15.2935 15.2998 15.2998 k = 0.5000 0.5916 0.4979 ( 2772 PWs) bands (ev): -18.0068 -18.0068 -18.0064 -18.0064 -17.8002 -17.8002 -17.7997 -17.7997 -1.9161 -1.9161 -1.9153 -1.9153 -0.9760 -0.9760 -0.9724 -0.9724 -0.4639 -0.4639 -0.4631 -0.4631 0.5007 0.5007 0.5027 0.5027 1.2561 1.2561 1.2594 1.2594 1.7579 1.7579 1.7630 1.7630 3.3150 3.3150 3.3517 3.3517 3.4369 3.4369 3.4916 3.4916 3.6229 3.6229 3.7057 3.7057 4.1072 4.1072 4.1369 4.1369 4.8697 4.8697 4.8924 4.8924 13.1402 13.1402 13.1404 13.1404 15.2357 15.2357 15.2444 15.2444 k = 0.5000 0.5771 0.4979 ( 2768 PWs) bands (ev): -18.0076 -18.0076 -18.0072 -18.0072 -17.8013 -17.8013 -17.8007 -17.8007 -1.9156 -1.9156 -1.9149 -1.9149 -0.9783 -0.9783 -0.9746 -0.9746 -0.4436 -0.4436 -0.4429 -0.4429 0.5076 0.5076 0.5093 0.5093 1.2530 1.2530 1.2562 1.2562 1.7401 1.7401 1.7453 1.7453 3.3100 3.3100 3.3499 3.3499 3.4395 3.4395 3.4937 3.4937 3.6246 3.6246 3.7080 3.7080 4.1117 4.1117 4.1445 4.1445 4.8658 4.8658 4.8901 4.8901 13.1213 13.1213 13.1214 13.1214 15.1684 15.1684 15.1776 15.1776 k = 0.5000 0.5627 0.4979 ( 2772 PWs) bands (ev): -18.0087 -18.0087 -18.0083 -18.0083 -17.8024 -17.8024 -17.8018 -17.8018 -1.9150 -1.9150 -1.9143 -1.9143 -0.9797 -0.9797 -0.9759 -0.9759 -0.4223 -0.4223 -0.4217 -0.4217 0.5152 0.5152 0.5167 0.5167 1.2491 1.2491 1.2524 1.2524 1.7209 1.7209 1.7261 1.7261 3.3050 3.3050 3.3477 3.3477 3.4422 3.4422 3.4954 3.4954 3.6266 3.6266 3.7102 3.7102 4.1172 4.1172 4.1532 4.1532 4.8616 4.8616 4.8875 4.8875 13.0994 13.0994 13.0996 13.0996 15.0969 15.0969 15.1061 15.1061 k = 0.5000 0.5483 0.4979 ( 2776 PWs) bands (ev): -18.0100 -18.0100 -18.0096 -18.0096 -17.8035 -17.8035 -17.8028 -17.8028 -1.9142 -1.9142 -1.9134 -1.9134 -0.9802 -0.9802 -0.9763 -0.9763 -0.4001 -0.4001 -0.3996 -0.3996 0.5236 0.5236 0.5249 0.5249 1.2445 1.2445 1.2477 1.2477 1.7004 1.7004 1.7056 1.7056 3.2998 3.2998 3.3451 3.3451 3.4448 3.4448 3.4967 3.4967 3.6292 3.6292 3.7122 3.7122 4.1237 4.1237 4.1629 4.1629 4.8570 4.8570 4.8846 4.8846 13.0748 13.0748 13.0751 13.0751 15.0236 15.0236 15.0325 15.0325 k = 0.5000 0.5339 0.4979 ( 2774 PWs) bands (ev): -18.0116 -18.0116 -18.0112 -18.0112 -17.8046 -17.8046 -17.8039 -17.8039 -1.9132 -1.9132 -1.9125 -1.9125 -0.9795 -0.9795 -0.9756 -0.9756 -0.3769 -0.3769 -0.3766 -0.3766 0.5328 0.5328 0.5338 0.5338 1.2392 1.2392 1.2424 1.2424 1.6787 1.6787 1.6839 1.6839 3.2946 3.2946 3.3423 3.3423 3.4474 3.4474 3.4975 3.4975 3.6323 3.6323 3.7141 3.7141 4.1312 4.1312 4.1738 4.1738 4.8521 4.8521 4.8814 4.8814 13.0478 13.0478 13.0481 13.0481 14.9494 14.9494 14.9580 14.9580 k = 0.5000 0.5194 0.4979 ( 2774 PWs) bands (ev): -18.0134 -18.0134 -18.0130 -18.0130 -17.8056 -17.8056 -17.8048 -17.8048 -1.9122 -1.9122 -1.9115 -1.9115 -0.9778 -0.9778 -0.9739 -0.9739 -0.3530 -0.3530 -0.3529 -0.3529 0.5426 0.5426 0.5434 0.5434 1.2332 1.2332 1.2363 1.2363 1.6559 1.6559 1.6610 1.6610 3.2894 3.2894 3.3391 3.3391 3.4497 3.4497 3.4978 3.4978 3.6359 3.6359 3.7160 3.7160 4.1396 4.1396 4.1856 4.1856 4.8468 4.8468 4.8780 4.8780 13.0186 13.0186 13.0189 13.0189 14.8749 14.8749 14.8832 14.8832 k = 0.5000 0.5050 0.4979 ( 2774 PWs) bands (ev): -18.0154 -18.0154 -18.0151 -18.0151 -17.8066 -17.8066 -17.8058 -17.8058 -1.9111 -1.9111 -1.9104 -1.9104 -0.9749 -0.9749 -0.9710 -0.9710 -0.3284 -0.3284 -0.3282 -0.3282 0.5530 0.5530 0.5536 0.5536 1.2265 1.2265 1.2296 1.2296 1.6321 1.6321 1.6373 1.6373 3.2840 3.2840 3.3356 3.3356 3.4517 3.4517 3.4975 3.4975 3.6400 3.6400 3.7178 3.7178 4.1489 4.1489 4.1984 4.1984 4.8413 4.8413 4.8743 4.8743 12.9875 12.9875 12.9878 12.9878 14.8004 14.8004 14.8085 14.8085 k = 0.5000 0.4906 0.4979 ( 2772 PWs) bands (ev): -18.0177 -18.0177 -18.0174 -18.0174 -17.8076 -17.8076 -17.8067 -17.8067 -1.9101 -1.9101 -1.9094 -1.9094 -0.9707 -0.9707 -0.9669 -0.9669 -0.3031 -0.3031 -0.3028 -0.3028 0.5640 0.5640 0.5644 0.5644 1.2192 1.2192 1.2221 1.2221 1.6076 1.6076 1.6127 1.6127 3.2785 3.2785 3.3316 3.3316 3.4534 3.4534 3.4967 3.4967 3.6446 3.6446 3.7197 3.7197 4.1590 4.1590 4.2119 4.2119 4.8355 4.8355 4.8705 4.8705 12.9546 12.9546 12.9550 12.9550 14.7261 14.7261 14.7339 14.7339 k = 0.5000 0.4761 0.4979 ( 2778 PWs) bands (ev): -18.0202 -18.0202 -18.0198 -18.0198 -17.8086 -17.8086 -17.8076 -17.8076 -1.9093 -1.9093 -1.9085 -1.9085 -0.9653 -0.9653 -0.9616 -0.9616 -0.2773 -0.2773 -0.2767 -0.2767 0.5754 0.5754 0.5757 0.5757 1.2111 1.2111 1.2139 1.2139 1.5824 1.5824 1.5876 1.5876 3.2729 3.2729 3.3273 3.3273 3.4545 3.4545 3.4952 3.4952 3.6496 3.6496 3.7217 3.7217 4.1697 4.1697 4.2262 4.2262 4.8295 4.8295 4.8666 4.8666 12.9203 12.9203 12.9207 12.9207 14.6522 14.6522 14.6597 14.6597 k = 0.5000 0.4617 0.4979 ( 2780 PWs) bands (ev): -18.0228 -18.0228 -18.0225 -18.0225 -17.8095 -17.8095 -17.8085 -17.8085 -1.9085 -1.9085 -1.9077 -1.9077 -0.9586 -0.9586 -0.9549 -0.9549 -0.2509 -0.2509 -0.2501 -0.2501 0.5872 0.5872 0.5874 0.5874 1.2024 1.2024 1.2051 1.2051 1.5569 1.5569 1.5620 1.5620 3.2672 3.2672 3.3225 3.3225 3.4552 3.4552 3.4931 3.4931 3.6550 3.6550 3.7239 3.7239 4.1810 4.1810 4.2411 4.2411 4.8233 4.8233 4.8626 4.8626 12.8847 12.8847 12.8852 12.8852 14.5787 14.5787 14.5861 14.5861 k = 0.5000 0.4473 0.4979 ( 2782 PWs) bands (ev): -18.0256 -18.0256 -18.0253 -18.0253 -17.8104 -17.8104 -17.8094 -17.8094 -1.9079 -1.9079 -1.9071 -1.9071 -0.9505 -0.9505 -0.9469 -0.9469 -0.2240 -0.2240 -0.2229 -0.2229 0.5993 0.5993 0.5994 0.5994 1.1930 1.1930 1.1955 1.1955 1.5311 1.5311 1.5362 1.5362 3.2613 3.2613 3.3174 3.3174 3.4553 3.4553 3.4905 3.4905 3.6608 3.6608 3.7262 3.7262 4.1927 4.1927 4.2564 4.2564 4.8170 4.8170 4.8587 4.8587 12.8481 12.8481 12.8486 12.8486 14.5058 14.5058 14.5130 14.5130 k = 0.5000 0.4329 0.4979 ( 2782 PWs) bands (ev): -18.0286 -18.0286 -18.0283 -18.0283 -17.8113 -17.8113 -17.8102 -17.8102 -1.9075 -1.9075 -1.9067 -1.9067 -0.9410 -0.9410 -0.9376 -0.9376 -0.1966 -0.1966 -0.1953 -0.1953 0.6115 0.6115 0.6116 0.6116 1.1829 1.1829 1.1852 1.1852 1.5054 1.5054 1.5105 1.5105 3.2553 3.2553 3.3120 3.3120 3.4548 3.4548 3.4873 3.4873 3.6669 3.6669 3.7288 3.7288 4.2047 4.2047 4.2720 4.2720 4.8108 4.8108 4.8549 4.8549 12.8106 12.8106 12.8112 12.8112 14.4336 14.4336 14.4405 14.4405 k = 0.5000 0.4184 0.4979 ( 2778 PWs) bands (ev): -18.0317 -18.0317 -18.0314 -18.0314 -17.8121 -17.8121 -17.8110 -17.8110 -1.9074 -1.9074 -1.9065 -1.9065 -0.9302 -0.9302 -0.9269 -0.9269 -0.1689 -0.1689 -0.1673 -0.1673 0.6236 0.6236 0.6237 0.6237 1.1722 1.1722 1.1743 1.1743 1.4799 1.4799 1.4850 1.4850 3.2492 3.2492 3.3062 3.3062 3.4537 3.4537 3.4836 3.4836 3.6733 3.6733 3.7317 3.7317 4.2168 4.2168 4.2877 4.2877 4.8046 4.8046 4.8513 4.8513 12.7726 12.7726 12.7732 12.7732 14.3621 14.3621 14.3689 14.3689 k = 0.5000 0.4040 0.4979 ( 2772 PWs) bands (ev): -18.0349 -18.0349 -18.0347 -18.0347 -17.8129 -17.8129 -17.8118 -17.8118 -1.9076 -1.9076 -1.9066 -1.9066 -0.9179 -0.9179 -0.9148 -0.9148 -0.1408 -0.1408 -0.1389 -0.1389 0.6355 0.6355 0.6358 0.6358 1.1609 1.1609 1.1626 1.1626 1.4550 1.4550 1.4600 1.4600 3.2429 3.2429 3.3000 3.3000 3.4520 3.4520 3.4794 3.4794 3.6799 3.6799 3.7348 3.7348 4.2288 4.2288 4.3033 4.3033 4.7988 4.7988 4.8480 4.8480 12.7340 12.7340 12.7347 12.7347 14.2915 14.2915 14.2981 14.2981 k = 0.5000 0.3896 0.4979 ( 2770 PWs) bands (ev): -18.0382 -18.0382 -18.0380 -18.0380 -17.8137 -17.8137 -17.8125 -17.8125 -1.9080 -1.9080 -1.9069 -1.9069 -0.9043 -0.9043 -0.9014 -0.9014 -0.1125 -0.1125 -0.1104 -0.1104 0.6470 0.6470 0.6474 0.6474 1.1490 1.1490 1.1504 1.1504 1.4308 1.4308 1.4358 1.4358 3.2365 3.2365 3.2935 3.2935 3.4496 3.4496 3.4747 3.4747 3.6867 3.6867 3.7383 3.7383 4.2406 4.2406 4.3185 4.3185 4.7933 4.7933 4.8452 4.8452 12.6953 12.6953 12.6960 12.6960 14.2218 14.2218 14.2283 14.2283 k = 0.5000 0.3751 0.4979 ( 2766 PWs) bands (ev): -18.0416 -18.0416 -18.0414 -18.0414 -17.8145 -17.8145 -17.8133 -17.8133 -1.9087 -1.9087 -1.9076 -1.9076 -0.8893 -0.8893 -0.8866 -0.8866 -0.0842 -0.0842 -0.0818 -0.0818 0.6576 0.6576 0.6583 0.6583 1.1366 1.1366 1.1376 1.1376 1.4077 1.4077 1.4126 1.4126 3.2299 3.2299 3.2867 3.2867 3.4465 3.4465 3.4696 3.4696 3.6936 3.6936 3.7420 3.7420 4.2518 4.2518 4.3331 4.3331 4.7885 4.7885 4.8430 4.8430 12.6564 12.6564 12.6572 12.6572 14.1531 14.1531 14.1595 14.1595 k = 0.5000 0.3607 0.4979 ( 2768 PWs) bands (ev): -18.0450 -18.0450 -18.0449 -18.0449 -17.8152 -17.8152 -17.8140 -17.8140 -1.9097 -1.9097 -1.9086 -1.9086 -0.8729 -0.8729 -0.8704 -0.8704 -0.0558 -0.0558 -0.0533 -0.0533 0.6673 0.6673 0.6684 0.6684 1.1240 1.1240 1.1245 1.1245 1.3858 1.3858 1.3907 1.3907 3.2232 3.2232 3.2797 3.2797 3.4427 3.4427 3.4640 3.4640 3.7006 3.7006 3.7460 3.7460 4.2623 4.2623 4.3469 4.3469 4.7844 4.7844 4.8414 4.8414 12.6176 12.6176 12.6184 12.6184 14.0856 14.0856 14.0918 14.0918 k = 0.5000 0.3463 0.4979 ( 2770 PWs) bands (ev): -18.0485 -18.0485 -18.0484 -18.0484 -17.8160 -17.8160 -17.8147 -17.8147 -1.9110 -1.9110 -1.9098 -1.9098 -0.8552 -0.8552 -0.8530 -0.8530 -0.0277 -0.0277 -0.0249 -0.0249 0.6755 0.6755 0.6771 0.6771 1.1113 1.1113 1.1113 1.1113 1.3654 1.3654 1.3703 1.3703 3.2163 3.2163 3.2724 3.2724 3.4384 3.4384 3.4581 3.4581 3.7076 3.7076 3.7503 3.7503 4.2720 4.2720 4.3595 4.3595 4.7813 4.7813 4.8407 4.8407 12.5790 12.5790 12.5799 12.5799 14.0192 14.0192 14.0254 14.0254 k = 0.5000 0.3319 0.4979 ( 2768 PWs) bands (ev): -18.0520 -18.0520 -18.0519 -18.0519 -17.8167 -17.8167 -17.8154 -17.8154 -1.9126 -1.9126 -1.9113 -1.9113 -0.8362 -0.8362 -0.8342 -0.8342 0.0002 0.0002 0.0031 0.0031 0.6820 0.6820 0.6843 0.6843 1.0982 1.0982 1.0989 1.0989 1.3466 1.3466 1.3516 1.3516 3.2094 3.2094 3.2649 3.2649 3.4336 3.4336 3.4518 3.4518 3.7147 3.7147 3.7548 3.7548 4.2807 4.2807 4.3707 4.3707 4.7795 4.7795 4.8409 4.8409 12.5408 12.5408 12.5417 12.5417 13.9543 13.9543 13.9603 13.9603 k = 0.5000 0.3174 0.4979 ( 2774 PWs) bands (ev): -18.0555 -18.0555 -18.0554 -18.0554 -17.8174 -17.8174 -17.8161 -17.8161 -1.9145 -1.9145 -1.9131 -1.9131 -0.8160 -0.8160 -0.8142 -0.8142 0.0276 0.0276 0.0306 0.0306 0.6862 0.6862 0.6894 0.6894 1.0858 1.0858 1.0871 1.0871 1.3296 1.3296 1.3347 1.3347 3.2024 3.2024 3.2572 3.2572 3.4281 3.4281 3.4452 3.4452 3.7217 3.7217 3.7594 3.7594 4.2881 4.2881 4.3801 4.3801 4.7791 4.7791 4.8421 4.8421 12.5032 12.5032 12.5041 12.5041 13.8907 13.8907 13.8967 13.8967 k = 0.5000 0.3030 0.4979 ( 2778 PWs) bands (ev): -18.0590 -18.0590 -18.0589 -18.0589 -17.8181 -17.8181 -17.8167 -17.8167 -1.9165 -1.9165 -1.9151 -1.9151 -0.7945 -0.7945 -0.7930 -0.7930 0.0542 0.0542 0.0573 0.0573 0.6880 0.6880 0.6921 0.6921 1.0743 1.0743 1.0764 1.0764 1.3145 1.3145 1.3197 1.3197 3.1953 3.1953 3.2493 3.2493 3.4222 3.4222 3.4383 3.4383 3.7287 3.7287 3.7642 3.7642 4.2942 4.2942 4.3878 4.3878 4.7803 4.7803 4.8444 4.8444 12.4662 12.4662 12.4672 12.4672 13.8288 13.8288 13.8346 13.8346 k = 0.5000 0.2886 0.4979 ( 2776 PWs) bands (ev): -18.0625 -18.0625 -18.0624 -18.0624 -17.8187 -17.8187 -17.8173 -17.8173 -1.9188 -1.9188 -1.9174 -1.9174 -0.7719 -0.7719 -0.7706 -0.7706 0.0799 0.0799 0.0829 0.0829 0.6870 0.6870 0.6923 0.6923 1.0642 1.0642 1.0671 1.0671 1.3012 1.3012 1.3067 1.3067 3.1881 3.1881 3.2414 3.2414 3.4159 3.4159 3.4312 3.4312 3.7355 3.7355 3.7691 3.7691 4.2990 4.2990 4.3934 4.3934 4.7832 4.7832 4.8479 4.8479 12.4301 12.4301 12.4311 12.4311 13.7685 13.7685 13.7743 13.7743 k = 0.5000 0.2741 0.4979 ( 2768 PWs) bands (ev): -18.0659 -18.0659 -18.0658 -18.0658 -17.8193 -17.8193 -17.8179 -17.8179 -1.9213 -1.9213 -1.9197 -1.9197 -0.7481 -0.7481 -0.7470 -0.7470 0.1043 0.1043 0.1072 0.1072 0.6831 0.6831 0.6898 0.6898 1.0559 1.0559 1.0594 1.0594 1.2899 1.2899 1.2957 1.2957 3.1810 3.1810 3.2335 3.2335 3.4093 3.4093 3.4239 3.4239 3.7423 3.7423 3.7741 3.7741 4.3023 4.3023 4.3970 4.3970 4.7878 4.7878 4.8526 4.8526 12.3949 12.3949 12.3960 12.3960 13.7100 13.7100 13.7157 13.7157 k = 0.5000 0.2597 0.4979 ( 2768 PWs) bands (ev): -18.0692 -18.0692 -18.0692 -18.0692 -17.8200 -17.8200 -17.8185 -17.8185 -1.9239 -1.9239 -1.9223 -1.9223 -0.7232 -0.7232 -0.7224 -0.7224 0.1270 0.1270 0.1296 0.1296 0.6767 0.6767 0.6848 0.6848 1.0494 1.0494 1.0534 1.0534 1.2806 1.2806 1.2867 1.2867 3.1738 3.1738 3.2255 3.2255 3.4024 3.4024 3.4165 3.4165 3.7489 3.7489 3.7791 3.7791 4.3043 4.3043 4.3986 4.3986 4.7940 4.7940 4.8583 4.8583 12.3608 12.3608 12.3619 12.3619 13.6534 13.6534 13.6590 13.6590 k = 0.5000 0.2453 0.4979 ( 2762 PWs) bands (ev): -18.0725 -18.0725 -18.0724 -18.0724 -17.8205 -17.8205 -17.8191 -17.8191 -1.9266 -1.9266 -1.9250 -1.9250 -0.6973 -0.6973 -0.6968 -0.6968 0.1476 0.1476 0.1498 0.1498 0.6680 0.6680 0.6777 0.6777 1.0446 1.0446 1.0491 1.0491 1.2731 1.2731 1.2798 1.2798 3.1667 3.1667 3.2175 3.2175 3.3952 3.3952 3.4089 3.4089 3.7553 3.7553 3.7840 3.7840 4.3048 4.3048 4.3983 4.3983 4.8018 4.8018 4.8651 4.8651 12.3278 12.3278 12.3290 12.3290 13.5989 13.5989 13.6045 13.6045 k = 0.5000 0.2309 0.4979 ( 2762 PWs) bands (ev): -18.0757 -18.0757 -18.0756 -18.0756 -17.8211 -17.8211 -17.8196 -17.8196 -1.9294 -1.9294 -1.9277 -1.9277 -0.6704 -0.6704 -0.6702 -0.6702 0.1655 0.1655 0.1672 0.1672 0.6578 0.6578 0.6691 0.6691 1.0413 1.0413 1.0461 1.0461 1.2676 1.2676 1.2749 1.2749 3.1596 3.1596 3.2096 3.2096 3.3879 3.3879 3.4012 3.4012 3.7614 3.7614 3.7889 3.7889 4.3041 4.3041 4.3962 4.3962 4.8108 4.8108 4.8727 4.8727 12.2962 12.2962 12.2973 12.2973 13.5465 13.5465 13.5521 13.5521 k = 0.5000 0.2164 0.4979 ( 2758 PWs) bands (ev): -18.0787 -18.0787 -18.0787 -18.0787 -17.8216 -17.8216 -17.8201 -17.8201 -1.9322 -1.9322 -1.9305 -1.9305 -0.6427 -0.6427 -0.6427 -0.6427 0.1802 0.1802 0.1812 0.1812 0.6470 0.6470 0.6601 0.6601 1.0391 1.0391 1.0440 1.0440 1.2640 1.2640 1.2720 1.2720 3.1527 3.1527 3.2019 3.2019 3.3804 3.3804 3.3935 3.3935 3.7673 3.7673 3.7936 3.7936 4.3024 4.3024 4.3928 4.3928 4.8209 4.8209 4.8811 4.8811 12.2659 12.2659 12.2671 12.2671 13.4965 13.4965 13.5020 13.5020 k = 0.5000 0.2020 0.4979 ( 2760 PWs) bands (ev): -18.0816 -18.0816 -18.0816 -18.0816 -17.8222 -17.8222 -17.8206 -17.8206 -1.9350 -1.9350 -1.9333 -1.9333 -0.6144 -0.6144 -0.6141 -0.6141 0.1910 0.1910 0.1912 0.1912 0.6364 0.6364 0.6513 0.6513 1.0377 1.0377 1.0426 1.0426 1.2622 1.2622 1.2710 1.2710 3.1459 3.1459 3.1943 3.1943 3.3730 3.3730 3.3858 3.3858 3.7730 3.7730 3.7983 3.7983 4.2996 4.2996 4.3881 4.3881 4.8316 4.8316 4.8900 4.8900 12.2372 12.2372 12.2384 12.2384 13.4489 13.4489 13.4543 13.4543 k = 0.5000 0.1876 0.4979 ( 2766 PWs) bands (ev): -18.0844 -18.0844 -18.0844 -18.0844 -17.8226 -17.8226 -17.8211 -17.8211 -1.9379 -1.9379 -1.9361 -1.9361 -0.5853 -0.5853 -0.5847 -0.5847 0.1965 0.1965 0.1972 0.1972 0.6272 0.6272 0.6439 0.6439 1.0366 1.0366 1.0414 1.0414 1.2621 1.2621 1.2717 1.2717 3.1392 3.1392 3.1869 3.1869 3.3655 3.3655 3.3782 3.3782 3.7783 3.7783 3.8027 3.8027 4.2960 4.2960 4.3825 4.3825 4.8429 4.8429 4.8993 4.8993 12.2101 12.2101 12.2113 12.2113 13.4039 13.4039 13.4093 13.4093 k = 0.5000 0.1731 0.4979 ( 2766 PWs) bands (ev): -18.0870 -18.0870 -18.0870 -18.0870 -17.8231 -17.8231 -17.8215 -17.8215 -1.9406 -1.9406 -1.9388 -1.9388 -0.5556 -0.5556 -0.5547 -0.5547 0.1969 0.1969 0.1984 0.1984 0.6200 0.6200 0.6386 0.6386 1.0356 1.0356 1.0402 1.0402 1.2636 1.2636 1.2740 1.2740 3.1327 3.1327 3.1798 3.1798 3.3582 3.3582 3.3707 3.3707 3.7834 3.7834 3.8069 3.8069 4.2918 4.2918 4.3763 4.3763 4.8544 4.8544 4.9088 4.9088 12.1846 12.1846 12.1859 12.1859 13.3617 13.3617 13.3670 13.3670 k = 0.5000 0.1587 0.4979 ( 2762 PWs) bands (ev): -18.0895 -18.0895 -18.0895 -18.0895 -17.8235 -17.8235 -17.8220 -17.8220 -1.9432 -1.9432 -1.9414 -1.9414 -0.5252 -0.5252 -0.5241 -0.5241 0.1920 0.1920 0.1944 0.1944 0.6155 0.6155 0.6357 0.6357 1.0344 1.0344 1.0389 1.0389 1.2664 1.2664 1.2776 1.2776 3.1266 3.1266 3.1731 3.1731 3.3511 3.3511 3.3636 3.3636 3.7881 3.7881 3.8109 3.8109 4.2872 4.2872 4.3697 4.3697 4.8658 4.8658 4.9183 4.9183 12.1609 12.1609 12.1622 12.1622 13.3222 13.3222 13.3275 13.3275 k = 0.5000 0.1443 0.4979 ( 2764 PWs) bands (ev): -18.0918 -18.0918 -18.0918 -18.0918 -17.8239 -17.8239 -17.8223 -17.8223 -1.9458 -1.9458 -1.9439 -1.9439 -0.4944 -0.4944 -0.4930 -0.4930 0.1822 0.1822 0.1851 0.1851 0.6137 0.6137 0.6353 0.6353 1.0330 1.0330 1.0374 1.0374 1.2702 1.2702 1.2822 1.2822 3.1208 3.1208 3.1667 3.1667 3.3443 3.3443 3.3566 3.3566 3.7924 3.7924 3.8147 3.8147 4.2824 4.2824 4.3630 4.3630 4.8770 4.8770 4.9276 4.9276 12.1391 12.1391 12.1403 12.1403 13.2857 13.2857 13.2909 13.2909 k = 0.5000 0.1299 0.4979 ( 2762 PWs) bands (ev): -18.0939 -18.0939 -18.0939 -18.0939 -17.8243 -17.8243 -17.8227 -17.8227 -1.9482 -1.9482 -1.9463 -1.9463 -0.4633 -0.4633 -0.4616 -0.4616 0.1679 0.1679 0.1712 0.1712 0.6145 0.6145 0.6373 0.6373 1.0314 1.0314 1.0356 1.0356 1.2749 1.2749 1.2875 1.2875 3.1153 3.1153 3.1607 3.1607 3.3378 3.3378 3.3500 3.3500 3.7964 3.7964 3.8181 3.8181 4.2775 4.2775 4.3563 4.3563 4.8876 4.8876 4.9366 4.9366 12.1191 12.1191 12.1204 12.1204 13.2523 13.2523 13.2575 13.2575 k = 0.5000 0.1154 0.4979 ( 2764 PWs) bands (ev): -18.0958 -18.0958 -18.0958 -18.0958 -17.8246 -17.8246 -17.8230 -17.8230 -1.9504 -1.9504 -1.9485 -1.9485 -0.4320 -0.4320 -0.4300 -0.4300 0.1497 0.1497 0.1532 0.1532 0.6173 0.6173 0.6412 0.6412 1.0295 1.0295 1.0337 1.0337 1.2800 1.2800 1.2933 1.2933 3.1102 3.1102 3.1552 3.1552 3.3318 3.3318 3.3438 3.3438 3.8000 3.8000 3.8212 3.8212 4.2726 4.2726 4.3498 4.3498 4.8976 4.8976 4.9451 4.9451 12.1010 12.1010 12.1023 12.1023 13.2221 13.2221 13.2272 13.2272 k = 0.5000 0.1010 0.4979 ( 2766 PWs) bands (ev): -18.0975 -18.0975 -18.0975 -18.0975 -17.8249 -17.8249 -17.8233 -17.8233 -1.9524 -1.9524 -1.9504 -1.9504 -0.4009 -0.4009 -0.3985 -0.3985 0.1285 0.1285 0.1320 0.1320 0.6215 0.6215 0.6463 0.6463 1.0275 1.0275 1.0316 1.0316 1.2853 1.2853 1.2991 1.2991 3.1056 3.1056 3.1502 3.1502 3.3262 3.3262 3.3382 3.3382 3.8032 3.8032 3.8240 3.8240 4.2680 4.2680 4.3437 4.3437 4.9068 4.9068 4.9529 4.9529 12.0850 12.0850 12.0863 12.0863 13.1951 13.1951 13.2003 13.2003 k = 0.5000 0.0866 0.4979 ( 2764 PWs) bands (ev): -18.0990 -18.0990 -18.0990 -18.0990 -17.8252 -17.8252 -17.8235 -17.8235 -1.9542 -1.9542 -1.9522 -1.9522 -0.3701 -0.3701 -0.3674 -0.3674 0.1052 0.1052 0.1085 0.1085 0.6266 0.6266 0.6520 0.6520 1.0254 1.0254 1.0296 1.0296 1.2905 1.2905 1.3048 1.3048 3.1015 3.1015 3.1458 3.1458 3.3213 3.3213 3.3331 3.3331 3.8060 3.8060 3.8265 3.8265 4.2638 4.2638 4.3382 4.3382 4.9150 4.9150 4.9600 4.9600 12.0710 12.0710 12.0724 12.0724 13.1716 13.1716 13.1767 13.1767 k = 0.5000 0.0721 0.4979 ( 2764 PWs) bands (ev): -18.1002 -18.1002 -18.1002 -18.1002 -17.8254 -17.8254 -17.8237 -17.8237 -1.9557 -1.9557 -1.9537 -1.9537 -0.3401 -0.3401 -0.3371 -0.3371 0.0808 0.0808 0.0839 0.0839 0.6318 0.6318 0.6578 0.6578 1.0235 1.0235 1.0277 1.0277 1.2953 1.2953 1.3100 1.3100 3.0979 3.0979 3.1420 3.1420 3.3169 3.3169 3.3287 3.3287 3.8084 3.8084 3.8286 3.8286 4.2600 4.2600 4.3333 4.3333 4.9221 4.9221 4.9661 4.9661 12.0592 12.0592 12.0605 12.0605 13.1515 13.1515 13.1566 13.1566 k = 0.5000 0.0577 0.4979 ( 2766 PWs) bands (ev): -18.1013 -18.1013 -18.1013 -18.1013 -17.8256 -17.8256 -17.8239 -17.8239 -1.9570 -1.9570 -1.9550 -1.9550 -0.3118 -0.3118 -0.3083 -0.3083 0.0564 0.0564 0.0592 0.0592 0.6368 0.6368 0.6632 0.6632 1.0217 1.0217 1.0259 1.0259 1.2996 1.2996 1.3146 1.3146 3.0949 3.0949 3.1388 3.1388 3.3133 3.3133 3.3249 3.3249 3.8104 3.8104 3.8303 3.8303 4.2568 4.2568 4.3292 4.3292 4.9281 4.9281 4.9713 4.9713 12.0494 12.0494 12.0507 12.0507 13.1350 13.1350 13.1400 13.1400 k = 0.5000 0.0433 0.4979 ( 2764 PWs) bands (ev): -18.1021 -18.1021 -18.1021 -18.1021 -17.8257 -17.8257 -17.8241 -17.8241 -1.9580 -1.9580 -1.9560 -1.9560 -0.2861 -0.2861 -0.2821 -0.2821 0.0335 0.0335 0.0359 0.0359 0.6410 0.6410 0.6678 0.6678 1.0202 1.0202 1.0245 1.0245 1.3031 1.3031 1.3183 1.3183 3.0926 3.0926 3.1363 3.1363 3.3104 3.3104 3.3220 3.3220 3.8119 3.8119 3.8317 3.8317 4.2542 4.2542 4.3259 4.3259 4.9328 4.9328 4.9754 4.9754 12.0418 12.0418 12.0431 12.0431 13.1220 13.1220 13.1271 13.1271 k = 0.5000 0.0289 0.4979 ( 2766 PWs) bands (ev): -18.1027 -18.1027 -18.1027 -18.1027 -17.8258 -17.8258 -17.8242 -17.8242 -1.9588 -1.9588 -1.9567 -1.9567 -0.2647 -0.2647 -0.2604 -0.2604 0.0140 0.0140 0.0159 0.0159 0.6443 0.6443 0.6713 0.6713 1.0190 1.0190 1.0233 1.0233 1.3057 1.3057 1.3211 1.3211 3.0909 3.0909 3.1345 3.1345 3.3083 3.3083 3.3198 3.3198 3.8130 3.8130 3.8326 3.8326 4.2523 4.2523 4.3235 4.3235 4.9362 4.9362 4.9784 4.9784 12.0363 12.0363 12.0376 12.0376 13.1128 13.1128 13.1178 13.1178 k = 0.5000 0.0144 0.4979 ( 2758 PWs) bands (ev): -18.1030 -18.1030 -18.1030 -18.1030 -17.8258 -17.8258 -17.8242 -17.8242 -1.9592 -1.9592 -1.9572 -1.9572 -0.2502 -0.2502 -0.2454 -0.2454 0.0004 0.0004 0.0020 0.0020 0.6464 0.6464 0.6735 0.6735 1.0183 1.0183 1.0227 1.0227 1.3073 1.3073 1.3228 1.3228 3.0899 3.0899 3.1334 3.1334 3.3071 3.3071 3.3185 3.3185 3.8136 3.8136 3.8332 3.8332 4.2512 4.2512 4.3221 4.3221 4.9383 4.9383 4.9802 4.9802 12.0330 12.0330 12.0343 12.0343 13.1072 13.1072 13.1123 13.1123 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1031 -18.1031 -18.1031 -18.1031 -17.8259 -17.8259 -17.8242 -17.8242 -1.9593 -1.9593 -1.9573 -1.9573 -0.2449 -0.2449 -0.2400 -0.2400 -0.0045 -0.0045 -0.0030 -0.0030 0.6471 0.6471 0.6743 0.6743 1.0180 1.0180 1.0224 1.0224 1.3078 1.3078 1.3234 1.3234 3.0895 3.0895 3.1330 3.1330 3.3067 3.3067 3.3181 3.3181 3.8139 3.8139 3.8334 3.8334 4.2508 4.2508 4.3216 4.3216 4.9391 4.9391 4.9808 4.9808 12.0319 12.0319 12.0333 12.0333 13.1053 13.1053 13.1104 13.1104 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1031 -18.1031 -18.1031 -18.1031 -17.8259 -17.8259 -17.8242 -17.8242 -1.9593 -1.9593 -1.9573 -1.9573 -0.2449 -0.2449 -0.2400 -0.2400 -0.0045 -0.0045 -0.0030 -0.0030 0.6471 0.6471 0.6743 0.6743 1.0180 1.0180 1.0224 1.0224 1.3078 1.3078 1.3234 1.3234 3.0895 3.0895 3.1330 3.1330 3.3067 3.3067 3.3181 3.3181 3.8139 3.8139 3.8334 3.8334 4.2508 4.2508 4.3216 4.3216 4.9391 4.9391 4.9808 4.9808 12.0319 12.0319 12.0333 12.0333 13.1053 13.1053 13.1104 13.1104 k = 0.5000-0.0000 0.4837 ( 2762 PWs) bands (ev): -18.1034 -18.1034 -18.1034 -18.1034 -17.8256 -17.8256 -17.8239 -17.8239 -1.9587 -1.9587 -1.9567 -1.9567 -0.2449 -0.2449 -0.2400 -0.2400 -0.0053 -0.0053 -0.0038 -0.0038 0.6451 0.6451 0.6720 0.6720 1.0199 1.0199 1.0239 1.0239 1.3074 1.3074 1.3231 1.3231 3.0902 3.0902 3.1337 3.1337 3.3072 3.3072 3.3186 3.3186 3.8137 3.8137 3.8333 3.8333 4.2512 4.2512 4.3220 4.3220 4.9390 4.9390 4.9808 4.9808 12.0265 12.0265 12.0279 12.0279 13.1110 13.1110 13.1161 13.1161 k = 0.5000-0.0000 0.4695 ( 2760 PWs) bands (ev): -18.1043 -18.1043 -18.1043 -18.1043 -17.8247 -17.8247 -17.8231 -17.8231 -1.9570 -1.9570 -1.9549 -1.9549 -0.2448 -0.2448 -0.2400 -0.2400 -0.0075 -0.0075 -0.0060 -0.0060 0.6394 0.6394 0.6655 0.6655 1.0253 1.0253 1.0283 1.0283 1.3064 1.3064 1.3224 1.3224 3.0921 3.0921 3.1357 3.1357 3.3087 3.3087 3.3201 3.3201 3.8131 3.8131 3.8329 3.8329 4.2523 4.2523 4.3232 4.3232 4.9388 4.9388 4.9807 4.9807 12.0108 12.0108 12.0121 12.0121 13.1278 13.1278 13.1329 13.1329 k = 0.5000-0.0000 0.4552 ( 2758 PWs) bands (ev): -18.1057 -18.1057 -18.1057 -18.1057 -17.8232 -17.8232 -17.8216 -17.8216 -1.9540 -1.9540 -1.9520 -1.9520 -0.2448 -0.2448 -0.2399 -0.2399 -0.0112 -0.0112 -0.0098 -0.0098 0.6303 0.6303 0.6553 0.6553 1.0335 1.0335 1.0348 1.0348 1.3049 1.3049 1.3215 1.3215 3.0953 3.0953 3.1390 3.1390 3.3112 3.3112 3.3226 3.3226 3.8123 3.8123 3.8321 3.8321 4.2541 4.2541 4.3251 4.3251 4.9385 4.9385 4.9806 4.9806 11.9857 11.9857 11.9870 11.9870 13.1546 13.1546 13.1597 13.1597 k = 0.5000-0.0000 0.4410 ( 2758 PWs) bands (ev): -18.1076 -18.1076 -18.1076 -18.1076 -17.8212 -17.8212 -17.8196 -17.8196 -1.9498 -1.9498 -1.9478 -1.9478 -0.2447 -0.2447 -0.2399 -0.2399 -0.0163 -0.0163 -0.0149 -0.0149 0.6183 0.6183 0.6420 0.6420 1.0426 1.0426 1.0433 1.0433 1.3035 1.3035 1.3208 1.3208 3.0997 3.0997 3.1435 3.1435 3.3146 3.3146 3.3261 3.3261 3.8110 3.8110 3.8311 3.8311 4.2567 4.2567 4.3279 4.3279 4.9382 4.9382 4.9805 4.9805 11.9525 11.9525 11.9538 11.9538 13.1901 13.1901 13.1953 13.1953 k = 0.5000-0.0000 0.4268 ( 2752 PWs) bands (ev): -18.1100 -18.1100 -18.1100 -18.1100 -17.8187 -17.8187 -17.8172 -17.8172 -1.9445 -1.9445 -1.9425 -1.9425 -0.2447 -0.2447 -0.2399 -0.2399 -0.0227 -0.0227 -0.0214 -0.0214 0.6040 0.6040 0.6263 0.6263 1.0507 1.0507 1.0534 1.0534 1.3030 1.3030 1.3210 1.3210 3.1053 3.1053 3.1492 3.1492 3.3189 3.3189 3.3305 3.3305 3.8094 3.8094 3.8299 3.8299 4.2600 4.2600 4.3314 4.3314 4.9377 4.9377 4.9804 4.9804 11.9127 11.9127 11.9140 11.9140 13.2329 13.2329 13.2381 13.2381 k = 0.5000-0.0000 0.4126 ( 2758 PWs) bands (ev): -18.1128 -18.1128 -18.1128 -18.1128 -17.8158 -17.8158 -17.8142 -17.8142 -1.9381 -1.9381 -1.9361 -1.9361 -0.2449 -0.2449 -0.2400 -0.2400 -0.0305 -0.0305 -0.0291 -0.0291 0.5880 0.5880 0.6089 0.6089 1.0577 1.0577 1.0624 1.0624 1.3042 1.3042 1.3229 1.3229 3.1119 3.1119 3.1559 3.1559 3.3240 3.3240 3.3357 3.3357 3.8074 3.8074 3.8282 3.8282 4.2640 4.2640 4.3357 4.3357 4.9373 4.9373 4.9803 4.9803 11.8677 11.8677 11.8690 11.8690 13.2815 13.2815 13.2868 13.2868 k = 0.5000-0.0000 0.3983 ( 2756 PWs) bands (ev): -18.1161 -18.1161 -18.1160 -18.1160 -17.8124 -17.8124 -17.8109 -17.8109 -1.9305 -1.9305 -1.9286 -1.9286 -0.2452 -0.2452 -0.2404 -0.2404 -0.0393 -0.0393 -0.0380 -0.0380 0.5707 0.5707 0.5903 0.5903 1.0626 1.0626 1.0688 1.0688 1.3081 1.3081 1.3271 1.3271 3.1195 3.1195 3.1635 3.1635 3.3298 3.3298 3.3417 3.3417 3.8050 3.8050 3.8263 3.8263 4.2688 4.2688 4.3406 4.3406 4.9368 4.9368 4.9802 4.9802 11.8188 11.8188 11.8200 11.8200 13.3347 13.3347 13.3401 13.3401 k = 0.5000-0.0000 0.3841 ( 2756 PWs) bands (ev): -18.1197 -18.1197 -18.1196 -18.1196 -17.8087 -17.8087 -17.8072 -17.8072 -1.9219 -1.9219 -1.9199 -1.9199 -0.2458 -0.2458 -0.2410 -0.2410 -0.0492 -0.0492 -0.0479 -0.0479 0.5525 0.5525 0.5709 0.5709 1.0645 1.0645 1.0717 1.0717 1.3156 1.3156 1.3345 1.3345 3.1279 3.1279 3.1719 3.1719 3.3361 3.3361 3.3484 3.3484 3.8023 3.8023 3.8241 3.8241 4.2741 4.2741 4.3462 4.3462 4.9364 4.9364 4.9802 4.9802 11.7671 11.7671 11.7682 11.7682 13.3914 13.3914 13.3968 13.3968 k = 0.5000-0.0000 0.3699 ( 2752 PWs) bands (ev): -18.1235 -18.1235 -18.1234 -18.1234 -17.8046 -17.8046 -17.8032 -17.8032 -1.9121 -1.9121 -1.9102 -1.9102 -0.2468 -0.2468 -0.2420 -0.2420 -0.0599 -0.0599 -0.0586 -0.0586 0.5336 0.5336 0.5510 0.5510 1.0629 1.0629 1.0704 1.0704 1.3270 1.3270 1.3452 1.3452 3.1372 3.1372 3.1810 3.1810 3.3430 3.3430 3.3557 3.3557 3.7992 3.7992 3.8216 3.8216 4.2801 4.2801 4.3525 4.3525 4.9360 4.9360 4.9803 4.9803 11.7133 11.7133 11.7144 11.7144 13.4508 13.4508 13.4563 13.4563 k = 0.5000-0.0000 0.3557 ( 2750 PWs) bands (ev): -18.1276 -18.1276 -18.1275 -18.1275 -17.8003 -17.8003 -17.7990 -17.7990 -1.9013 -1.9013 -1.8994 -1.8994 -0.2484 -0.2484 -0.2437 -0.2437 -0.0711 -0.0711 -0.0699 -0.0699 0.5145 0.5145 0.5309 0.5309 1.0578 1.0578 1.0650 1.0650 1.3422 1.3422 1.3593 1.3593 3.1473 3.1473 3.1907 3.1907 3.3502 3.3502 3.3635 3.3635 3.7958 3.7958 3.8187 3.8187 4.2867 4.2867 4.3592 4.3592 4.9359 4.9359 4.9806 4.9806 11.6582 11.6582 11.6592 11.6592 13.5120 13.5120 13.5176 13.5176 k = 0.5000-0.0000 0.3414 ( 2754 PWs) bands (ev): -18.1319 -18.1319 -18.1318 -18.1318 -17.7959 -17.7959 -17.7945 -17.7945 -1.8895 -1.8895 -1.8877 -1.8877 -0.2509 -0.2509 -0.2463 -0.2463 -0.0826 -0.0826 -0.0814 -0.0814 0.4951 0.4951 0.5107 0.5107 1.0493 1.0493 1.0559 1.0559 1.3607 1.3607 1.3765 1.3765 3.1579 3.1579 3.2008 3.2008 3.3576 3.3576 3.3717 3.3717 3.7920 3.7920 3.8155 3.8155 4.2938 4.2938 4.3664 4.3664 4.9359 4.9359 4.9810 4.9810 11.6025 11.6025 11.6034 11.6034 13.5746 13.5746 13.5803 13.5803 k = 0.5000-0.0000 0.3272 ( 2760 PWs) bands (ev): -18.1364 -18.1364 -18.1363 -18.1363 -17.7912 -17.7912 -17.7899 -17.7899 -1.8768 -1.8768 -1.8749 -1.8749 -0.2545 -0.2545 -0.2500 -0.2500 -0.0940 -0.0940 -0.0927 -0.0927 0.4758 0.4758 0.4906 0.4906 1.0380 1.0380 1.0438 1.0438 1.3818 1.3818 1.3962 1.3962 3.1689 3.1689 3.2112 3.2112 3.3652 3.3652 3.3801 3.3801 3.7878 3.7878 3.8121 3.8121 4.3013 4.3013 4.3740 4.3740 4.9361 4.9361 4.9816 4.9816 11.5464 11.5464 11.5473 11.5473 13.6379 13.6379 13.6437 13.6437 k = 0.5000-0.0000 0.3130 ( 2756 PWs) bands (ev): -18.1409 -18.1409 -18.1408 -18.1408 -17.7865 -17.7865 -17.7852 -17.7852 -1.8631 -1.8631 -1.8613 -1.8613 -0.2596 -0.2596 -0.2553 -0.2553 -0.1049 -0.1049 -0.1035 -0.1035 0.4565 0.4565 0.4706 0.4706 1.0245 1.0245 1.0295 1.0295 1.4048 1.4048 1.4178 1.4178 3.1805 3.1805 3.2219 3.2219 3.3728 3.3728 3.3887 3.3887 3.7834 3.7834 3.8083 3.8083 4.3092 4.3092 4.3818 4.3818 4.9368 4.9368 4.9825 4.9825 11.4906 11.4906 11.4914 11.4914 13.7016 13.7016 13.7075 13.7075 k = 0.5000-0.0000 0.2988 ( 2762 PWs) bands (ev): -18.1455 -18.1455 -18.1453 -18.1453 -17.7817 -17.7817 -17.7805 -17.7805 -1.8486 -1.8486 -1.8468 -1.8468 -0.2665 -0.2665 -0.2624 -0.2624 -0.1148 -0.1148 -0.1132 -0.1132 0.4375 0.4375 0.4510 0.4510 1.0093 1.0093 1.0134 1.0134 1.4292 1.4292 1.4408 1.4408 3.1924 3.1924 3.2326 3.2326 3.3802 3.3802 3.3974 3.3974 3.7788 3.7788 3.8043 3.8043 4.3174 4.3174 4.3897 4.3897 4.9378 4.9378 4.9837 4.9837 11.4353 11.4353 11.4361 11.4361 13.7653 13.7653 13.7712 13.7712 k = 0.5000-0.0000 0.2845 ( 2766 PWs) bands (ev): -18.1501 -18.1501 -18.1499 -18.1499 -17.7768 -17.7768 -17.7757 -17.7757 -1.8332 -1.8332 -1.8315 -1.8315 -0.2756 -0.2756 -0.2718 -0.2718 -0.1233 -0.1233 -0.1215 -0.1215 0.4188 0.4188 0.4317 0.4317 0.9929 0.9929 0.9963 0.9963 1.4544 1.4544 1.4647 1.4647 3.2046 3.2046 3.2435 3.2435 3.3874 3.3874 3.4060 3.4060 3.7738 3.7738 3.8001 3.8001 4.3257 4.3257 4.3976 4.3976 4.9393 4.9393 4.9852 4.9852 11.3809 11.3809 11.3815 11.3815 13.8286 13.8286 13.8346 13.8346 k = 0.5000-0.0000 0.2703 ( 2770 PWs) bands (ev): -18.1547 -18.1547 -18.1545 -18.1545 -17.7720 -17.7720 -17.7709 -17.7709 -1.8171 -1.8171 -1.8155 -1.8155 -0.2870 -0.2870 -0.2835 -0.2835 -0.1302 -0.1302 -0.1282 -0.1282 0.4004 0.4004 0.4128 0.4128 0.9758 0.9758 0.9784 0.9784 1.4801 1.4801 1.4893 1.4893 3.2170 3.2170 3.2544 3.2544 3.3944 3.3944 3.4144 3.4144 3.7688 3.7688 3.7956 3.7956 4.3342 4.3342 4.4053 4.4053 4.9413 4.9413 4.9870 4.9870 11.3275 11.3275 11.3281 11.3281 13.8912 13.8912 13.8973 13.8973 k = 0.5000-0.0000 0.2561 ( 2770 PWs) bands (ev): -18.1592 -18.1592 -18.1590 -18.1590 -17.7673 -17.7673 -17.7662 -17.7662 -1.8004 -1.8004 -1.7988 -1.7988 -0.3007 -0.3007 -0.2975 -0.2975 -0.1353 -0.1353 -0.1331 -0.1331 0.3825 0.3825 0.3944 0.3944 0.9583 0.9583 0.9602 0.9602 1.5059 1.5059 1.5141 1.5141 3.2296 3.2296 3.2652 3.2652 3.4010 3.4010 3.4226 3.4226 3.7636 3.7636 3.7910 3.7910 4.3427 4.3427 4.4129 4.4129 4.9438 4.9438 4.9892 4.9892 11.2755 11.2755 11.2761 11.2761 13.9529 13.9529 13.9589 13.9589 k = 0.5000-0.0000 0.2418 ( 2770 PWs) bands (ev): -18.1636 -18.1636 -18.1634 -18.1634 -17.7626 -17.7626 -17.7616 -17.7616 -1.7831 -1.7831 -1.7815 -1.7815 -0.3165 -0.3165 -0.3136 -0.3136 -0.1389 -0.1389 -0.1365 -0.1365 0.3650 0.3650 0.3765 0.3765 0.9406 0.9406 0.9420 0.9420 1.5317 1.5317 1.5389 1.5389 3.2422 3.2422 3.2758 3.2758 3.4072 3.4072 3.4303 3.4303 3.7584 3.7584 3.7862 3.7862 4.3511 4.3511 4.4199 4.4199 4.9470 4.9470 4.9917 4.9917 11.2251 11.2251 11.2256 11.2256 14.0132 14.0132 14.0193 14.0193 k = 0.5000-0.0000 0.2276 ( 2772 PWs) bands (ev): -18.1679 -18.1679 -18.1677 -18.1677 -17.7580 -17.7580 -17.7571 -17.7571 -1.7653 -1.7653 -1.7637 -1.7637 -0.3340 -0.3340 -0.3314 -0.3314 -0.1410 -0.1410 -0.1384 -0.1384 0.3481 0.3481 0.3591 0.3591 0.9230 0.9230 0.9240 0.9240 1.5570 1.5570 1.5634 1.5634 3.2547 3.2547 3.2862 3.2862 3.4129 3.4129 3.4376 3.4376 3.7532 3.7532 3.7814 3.7814 4.3593 4.3593 4.4265 4.4265 4.9507 4.9507 4.9945 4.9945 11.1764 11.1764 11.1769 11.1769 14.0721 14.0721 14.0782 14.0782 k = 0.5000-0.0000 0.2134 ( 2776 PWs) bands (ev): -18.1721 -18.1721 -18.1719 -18.1719 -17.7536 -17.7536 -17.7528 -17.7528 -1.7471 -1.7471 -1.7456 -1.7456 -0.3530 -0.3530 -0.3505 -0.3505 -0.1420 -0.1420 -0.1393 -0.1393 0.3319 0.3319 0.3424 0.3424 0.9058 0.9058 0.9063 0.9063 1.5818 1.5818 1.5875 1.5875 3.2672 3.2672 3.2963 3.2963 3.4182 3.4182 3.4444 3.4444 3.7481 3.7481 3.7765 3.7765 4.3672 4.3672 4.4325 4.4325 4.9551 4.9551 4.9977 4.9977 11.1297 11.1297 11.1301 11.1301 14.1292 14.1292 14.1352 14.1352 k = 0.5000-0.0000 0.1992 ( 2776 PWs) bands (ev): -18.1761 -18.1761 -18.1759 -18.1759 -17.7494 -17.7494 -17.7486 -17.7486 -1.7287 -1.7287 -1.7273 -1.7273 -0.3729 -0.3729 -0.3707 -0.3707 -0.1420 -0.1420 -0.1393 -0.1393 0.3163 0.3163 0.3263 0.3263 0.8891 0.8891 0.8893 0.8893 1.6058 1.6058 1.6109 1.6109 3.2795 3.2795 3.3061 3.3061 3.4229 3.4229 3.4505 3.4505 3.7432 3.7432 3.7717 3.7717 4.3748 4.3748 4.4377 4.4377 4.9600 4.9600 5.0012 5.0012 11.0852 11.0852 11.0855 11.0855 14.1842 14.1842 14.1901 14.1901 k = 0.5000-0.0000 0.1849 ( 2774 PWs) bands (ev): -18.1799 -18.1799 -18.1797 -18.1797 -17.7453 -17.7453 -17.7446 -17.7446 -1.7102 -1.7102 -1.7089 -1.7089 -0.3935 -0.3935 -0.3914 -0.3914 -0.1414 -0.1414 -0.1386 -0.1386 0.3014 0.3014 0.3110 0.3110 0.8730 0.8730 0.8731 0.8731 1.6290 1.6290 1.6334 1.6334 3.2916 3.2916 3.3155 3.3155 3.4270 3.4270 3.4560 3.4560 3.7385 3.7385 3.7669 3.7669 4.3821 4.3821 4.4423 4.4423 4.9654 4.9654 5.0049 5.0049 11.0429 11.0429 11.0432 11.0432 14.2369 14.2369 14.2427 14.2427 k = 0.5000-0.0000 0.1707 ( 2774 PWs) bands (ev): -18.1835 -18.1835 -18.1833 -18.1833 -17.7415 -17.7415 -17.7408 -17.7408 -1.6918 -1.6918 -1.6905 -1.6905 -0.4144 -0.4144 -0.4125 -0.4125 -0.1402 -0.1402 -0.1374 -0.1374 0.2874 0.2874 0.2964 0.2964 0.8575 0.8575 0.8578 0.8578 1.6510 1.6510 1.6549 1.6549 3.3033 3.3033 3.3244 3.3244 3.4307 3.4307 3.4607 3.4607 3.7342 3.7342 3.7622 3.7622 4.3889 4.3889 4.4460 4.4460 4.9713 4.9713 5.0088 5.0088 11.0031 11.0031 11.0034 11.0034 14.2871 14.2871 14.2927 14.2927 k = 0.5000-0.0000 0.1565 ( 2780 PWs) bands (ev): -18.1868 -18.1868 -18.1867 -18.1867 -17.7379 -17.7379 -17.7373 -17.7373 -1.6736 -1.6736 -1.6724 -1.6724 -0.4352 -0.4352 -0.4335 -0.4335 -0.1386 -0.1386 -0.1359 -0.1359 0.2741 0.2741 0.2826 0.2826 0.8430 0.8430 0.8435 0.8435 1.6719 1.6719 1.6753 1.6753 3.3147 3.3147 3.3329 3.3329 3.4339 3.4339 3.4646 3.4646 3.7303 3.7303 3.7575 3.7575 4.3953 4.3953 4.4489 4.4489 4.9775 4.9775 5.0127 5.0127 10.9659 10.9659 10.9661 10.9661 14.3345 14.3345 14.3399 14.3399 k = 0.5000-0.0000 0.1423 ( 2774 PWs) bands (ev): -18.1899 -18.1899 -18.1898 -18.1898 -17.7346 -17.7346 -17.7340 -17.7340 -1.6558 -1.6558 -1.6546 -1.6546 -0.4558 -0.4558 -0.4542 -0.4542 -0.1367 -0.1367 -0.1341 -0.1341 0.2619 0.2619 0.2697 0.2697 0.8295 0.8295 0.8301 0.8301 1.6915 1.6915 1.6945 1.6945 3.3256 3.3256 3.3409 3.3409 3.4367 3.4367 3.4677 3.4677 3.7269 3.7269 3.7531 3.7531 4.4013 4.4013 4.4511 4.4511 4.9840 4.9840 5.0166 5.0166 10.9315 10.9315 10.9317 10.9317 14.3788 14.3788 14.3840 14.3840 k = 0.5000-0.0000 0.1280 ( 2776 PWs) bands (ev): -18.1928 -18.1928 -18.1927 -18.1927 -17.7315 -17.7315 -17.7310 -17.7310 -1.6386 -1.6386 -1.6375 -1.6375 -0.4757 -0.4757 -0.4743 -0.4743 -0.1347 -0.1347 -0.1322 -0.1322 0.2505 0.2505 0.2578 0.2578 0.8171 0.8171 0.8178 0.8178 1.7096 1.7096 1.7122 1.7122 3.3358 3.3358 3.3483 3.3483 3.4391 3.4391 3.4700 3.4700 3.7240 3.7240 3.7489 3.7489 4.4068 4.4068 4.4525 4.4525 4.9905 4.9905 5.0204 5.0204 10.8999 10.8999 10.9000 10.9000 14.4199 14.4199 14.4247 14.4247 k = 0.5000-0.0000 0.1138 ( 2776 PWs) bands (ev): -18.1954 -18.1954 -18.1953 -18.1953 -17.7287 -17.7287 -17.7283 -17.7283 -1.6222 -1.6222 -1.6213 -1.6213 -0.4947 -0.4947 -0.4934 -0.4934 -0.1326 -0.1326 -0.1303 -0.1303 0.2403 0.2403 0.2469 0.2469 0.8059 0.8059 0.8066 0.8066 1.7262 1.7262 1.7284 1.7284 3.3454 3.3454 3.3551 3.3551 3.4412 3.4412 3.4714 3.4714 3.7216 3.7216 3.7448 3.7448 4.4119 4.4119 4.4533 4.4533 4.9970 4.9970 5.0240 5.0240 10.8713 10.8713 10.8714 10.8714 14.4574 14.4574 14.4618 14.4618 k = 0.5000-0.0000 0.0996 ( 2778 PWs) bands (ev): -18.1977 -18.1977 -18.1976 -18.1976 -17.7262 -17.7262 -17.7258 -17.7258 -1.6070 -1.6070 -1.6061 -1.6061 -0.5124 -0.5124 -0.5113 -0.5113 -0.1306 -0.1306 -0.1284 -0.1284 0.2311 0.2311 0.2370 0.2370 0.7960 0.7960 0.7967 0.7967 1.7411 1.7411 1.7429 1.7429 3.3541 3.3541 3.3613 3.3613 3.4430 3.4430 3.4720 3.4720 3.7198 3.7198 3.7410 3.7410 4.4167 4.4167 4.4534 4.4534 5.0033 5.0033 5.0273 5.0273 10.8458 10.8458 10.8459 10.8459 14.4911 14.4911 14.4952 14.4952 k = 0.5000-0.0000 0.0854 ( 2780 PWs) bands (ev): -18.1998 -18.1998 -18.1997 -18.1997 -17.7241 -17.7241 -17.7237 -17.7237 -1.5930 -1.5930 -1.5923 -1.5923 -0.5286 -0.5286 -0.5276 -0.5276 -0.1286 -0.1286 -0.1267 -0.1267 0.2231 0.2231 0.2282 0.2282 0.7873 0.7873 0.7879 0.7879 1.7542 1.7542 1.7558 1.7558 3.3620 3.3620 3.3668 3.3668 3.4449 3.4449 3.4719 3.4719 3.7185 3.7185 3.7374 3.7374 4.4211 4.4211 4.4529 4.4529 5.0094 5.0094 5.0301 5.0301 10.8235 10.8235 10.8236 10.8236 14.5209 14.5209 14.5245 14.5245 k = 0.5000-0.0000 0.0711 ( 2778 PWs) bands (ev): -18.2015 -18.2015 -18.2014 -18.2014 -17.7222 -17.7222 -17.7219 -17.7219 -1.5806 -1.5806 -1.5800 -1.5800 -0.5429 -0.5429 -0.5420 -0.5420 -0.1268 -0.1268 -0.1251 -0.1251 0.2162 0.2162 0.2206 0.2206 0.7799 0.7799 0.7805 0.7805 1.7655 1.7655 1.7667 1.7667 3.3688 3.3688 3.3717 3.3717 3.4468 3.4468 3.4710 3.4710 3.7178 3.7178 3.7341 3.7341 4.4252 4.4252 4.4520 4.4520 5.0150 5.0150 5.0324 5.0324 10.8045 10.8045 10.8045 10.8045 14.5465 14.5465 14.5496 14.5496 k = 0.5000-0.0000 0.0569 ( 2774 PWs) bands (ev): -18.2029 -18.2029 -18.2028 -18.2028 -17.7206 -17.7206 -17.7204 -17.7204 -1.5701 -1.5701 -1.5695 -1.5695 -0.5550 -0.5550 -0.5543 -0.5543 -0.1251 -0.1251 -0.1238 -0.1238 0.2107 0.2107 0.2142 0.2142 0.7738 0.7738 0.7743 0.7743 1.7748 1.7748 1.7758 1.7758 3.3744 3.3744 3.3758 3.3758 3.4488 3.4488 3.4695 3.4695 3.7177 3.7177 3.7310 3.7310 4.4290 4.4290 4.4506 4.4506 5.0201 5.0201 5.0341 5.0341 10.7888 10.7888 10.7888 10.7888 14.5678 14.5678 14.5703 14.5703 k = 0.5000-0.0000 0.0427 ( 2770 PWs) bands (ev): -18.2040 -18.2040 -18.2040 -18.2040 -17.7194 -17.7194 -17.7192 -17.7192 -1.5616 -1.5616 -1.5612 -1.5612 -0.5647 -0.5647 -0.5642 -0.5642 -0.1238 -0.1238 -0.1227 -0.1227 0.2064 0.2064 0.2091 0.2091 0.7691 0.7691 0.7695 0.7695 1.7822 1.7822 1.7829 1.7829 3.3788 3.3788 3.3792 3.3792 3.4511 3.4511 3.4675 3.4675 3.7180 3.7180 3.7282 3.7282 4.4325 4.4325 4.4488 4.4488 5.0246 5.0246 5.0352 5.0352 10.7765 10.7765 10.7766 10.7766 14.5846 14.5846 14.5866 14.5866 k = 0.5000-0.0000 0.0285 ( 2770 PWs) bands (ev): -18.2048 -18.2048 -18.2048 -18.2048 -17.7185 -17.7185 -17.7184 -17.7184 -1.5553 -1.5553 -1.5550 -1.5550 -0.5718 -0.5718 -0.5715 -0.5715 -0.1227 -0.1227 -0.1220 -0.1220 0.2035 0.2035 0.2053 0.2053 0.7657 0.7657 0.7660 0.7660 1.7876 1.7876 1.7880 1.7880 3.3818 3.3818 3.3818 3.3818 3.4536 3.4536 3.4650 3.4650 3.7188 3.7188 3.7257 3.7257 4.4358 4.4358 4.4467 4.4467 5.0284 5.0284 5.0354 5.0354 10.7678 10.7678 10.7678 10.7678 14.5968 14.5968 14.5981 14.5981 k = 0.5000-0.0000 0.0142 ( 2776 PWs) bands (ev): -18.2053 -18.2053 -18.2053 -18.2053 -17.7180 -17.7180 -17.7179 -17.7179 -1.5515 -1.5515 -1.5514 -1.5514 -0.5762 -0.5762 -0.5760 -0.5760 -0.1220 -0.1220 -0.1217 -0.1217 0.2019 0.2019 0.2028 0.2028 0.7637 0.7637 0.7638 0.7638 1.7908 1.7908 1.7910 1.7910 3.3834 3.3834 3.3835 3.3835 3.4564 3.4564 3.4622 3.4622 3.7200 3.7200 3.7234 3.7234 4.4388 4.4388 4.4443 4.4443 5.0313 5.0313 5.0349 5.0349 10.7625 10.7625 10.7625 10.7625 14.6043 14.6043 14.6050 14.6050 k = 0.5000-0.0000-0.0000 ( 2780 PWs) bands (ev): -18.2054 -18.2054 -18.2054 -18.2054 -17.7178 -17.7178 -17.7178 -17.7178 -1.5502 -1.5502 -1.5502 -1.5502 -0.5776 -0.5776 -0.5776 -0.5776 -0.1217 -0.1217 -0.1217 -0.1217 0.2016 0.2016 0.2016 0.2016 0.7631 0.7631 0.7631 0.7631 1.7920 1.7920 1.7920 1.7920 3.3840 3.3840 3.3840 3.3840 3.4593 3.4593 3.4593 3.4593 3.7215 3.7215 3.7215 3.7215 4.4417 4.4417 4.4417 4.4417 5.0335 5.0335 5.0335 5.0335 10.7607 10.7607 10.7607 10.7607 14.6070 14.6070 14.6070 14.6070 k = 0.0000 0.0000 0.4979 ( 2758 PWs) bands (ev): -18.2080 -18.2080 -18.2080 -18.2080 -17.7157 -17.7157 -17.7157 -17.7157 -1.5161 -1.5161 -1.5161 -1.5161 -0.6707 -0.6707 -0.6707 -0.6707 -0.0303 -0.0303 -0.0303 -0.0303 0.2474 0.2474 0.2474 0.2474 0.7158 0.7158 0.7158 0.7158 1.7494 1.7494 1.7494 1.7494 3.3948 3.3948 3.3948 3.3948 3.4730 3.4730 3.4730 3.4730 3.7204 3.7204 3.7204 3.7204 4.4709 4.4709 4.4709 4.4709 4.9756 4.9756 4.9756 4.9756 10.7455 10.7455 10.7455 10.7455 14.6362 14.6362 14.6362 14.6362 k = 0.0143-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.2078 -18.2078 -18.2078 -18.2078 -17.7158 -17.7158 -17.7158 -17.7158 -1.5177 -1.5177 -1.5174 -1.5174 -0.6693 -0.6693 -0.6690 -0.6690 -0.0304 -0.0304 -0.0302 -0.0302 0.2477 0.2477 0.2487 0.2487 0.7162 0.7162 0.7165 0.7165 1.7484 1.7484 1.7487 1.7487 3.3941 3.3941 3.3944 3.3944 3.4703 3.4703 3.4756 3.4756 3.7191 3.7191 3.7221 3.7221 4.4680 4.4680 4.4734 4.4734 4.9736 4.9736 4.9772 4.9772 10.7472 10.7472 10.7473 10.7473 14.6336 14.6336 14.6337 14.6337 k = 0.0286-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.2073 -18.2073 -18.2073 -18.2073 -17.7164 -17.7164 -17.7163 -17.7163 -1.5222 -1.5222 -1.5216 -1.5216 -0.6649 -0.6649 -0.6644 -0.6644 -0.0307 -0.0307 -0.0302 -0.0302 0.2494 0.2494 0.2514 0.2514 0.7176 0.7176 0.7183 0.7183 1.7456 1.7456 1.7461 1.7461 3.3923 3.3923 3.3928 3.3928 3.4676 3.4676 3.4779 3.4779 3.7182 3.7182 3.7242 3.7242 4.4648 4.4648 4.4755 4.4755 4.9710 4.9710 4.9781 4.9781 10.7526 10.7526 10.7526 10.7526 14.6259 14.6259 14.6261 14.6261 k = 0.0429-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.2065 -18.2065 -18.2065 -18.2065 -17.7173 -17.7173 -17.7171 -17.7171 -1.5294 -1.5294 -1.5286 -1.5286 -0.6577 -0.6577 -0.6569 -0.6569 -0.0311 -0.0311 -0.0303 -0.0303 0.2526 0.2526 0.2555 0.2555 0.7201 0.7201 0.7211 0.7211 1.7410 1.7410 1.7417 1.7417 3.3895 3.3895 3.3898 3.3898 3.4649 3.4649 3.4799 3.4799 3.7176 3.7176 3.7265 3.7265 4.4612 4.4612 4.4772 4.4772 4.9680 4.9680 4.9785 4.9785 10.7615 10.7615 10.7615 10.7615 14.6133 14.6133 14.6135 14.6135 k = 0.0571-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.2054 -18.2054 -18.2053 -18.2053 -17.7185 -17.7185 -17.7183 -17.7183 -1.5391 -1.5391 -1.5381 -1.5381 -0.6478 -0.6478 -0.6468 -0.6468 -0.0315 -0.0315 -0.0305 -0.0305 0.2573 0.2573 0.2611 0.2611 0.7237 0.7237 0.7250 0.7250 1.7346 1.7346 1.7356 1.7356 3.3856 3.3856 3.3858 3.3858 3.4624 3.4624 3.4814 3.4814 3.7175 3.7175 3.7291 3.7291 4.4571 4.4571 4.4784 4.4784 4.9644 4.9644 4.9785 4.9785 10.7739 10.7739 10.7740 10.7740 14.5957 14.5957 14.5960 14.5960 k = 0.0714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.2039 -18.2039 -18.2039 -18.2039 -17.7201 -17.7201 -17.7198 -17.7198 -1.5511 -1.5511 -1.5499 -1.5499 -0.6355 -0.6355 -0.6344 -0.6344 -0.0319 -0.0319 -0.0307 -0.0307 0.2633 0.2633 0.2681 0.2681 0.7283 0.7283 0.7299 0.7299 1.7265 1.7265 1.7277 1.7277 3.3801 3.3801 3.3812 3.3812 3.4599 3.4599 3.4823 3.4823 3.7180 3.7180 3.7320 3.7320 4.4527 4.4527 4.4791 4.4791 4.9606 4.9606 4.9780 4.9780 10.7897 10.7897 10.7898 10.7898 14.5734 14.5734 14.5738 14.5738 k = 0.0857-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.2022 -18.2022 -18.2021 -18.2021 -17.7220 -17.7220 -17.7217 -17.7217 -1.5651 -1.5651 -1.5636 -1.5636 -0.6212 -0.6212 -0.6199 -0.6199 -0.0324 -0.0324 -0.0310 -0.0310 0.2707 0.2707 0.2765 0.2765 0.7340 0.7340 0.7359 0.7359 1.7168 1.7168 1.7183 1.7183 3.3734 3.3734 3.3758 3.3758 3.4575 3.4575 3.4827 3.4827 3.7189 3.7189 3.7352 3.7352 4.4479 4.4479 4.4793 4.4793 4.9565 4.9565 4.9772 4.9772 10.8090 10.8090 10.8091 10.8091 14.5466 14.5466 14.5471 14.5471 k = 0.1000-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.2001 -18.2001 -18.2000 -18.2000 -17.7242 -17.7242 -17.7238 -17.7238 -1.5808 -1.5808 -1.5791 -1.5791 -0.6051 -0.6051 -0.6037 -0.6037 -0.0329 -0.0329 -0.0313 -0.0313 0.2794 0.2794 0.2861 0.2861 0.7408 0.7408 0.7429 0.7429 1.7055 1.7055 1.7073 1.7073 3.3657 3.3657 3.3696 3.3696 3.4551 3.4551 3.4824 3.4824 3.7204 3.7204 3.7386 3.7386 4.4426 4.4426 4.4788 4.4788 4.9522 4.9522 4.9761 4.9761 10.8315 10.8315 10.8317 10.8317 14.5154 14.5154 14.5160 14.5160 k = 0.1143-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1977 -18.1977 -18.1976 -18.1976 -17.7268 -17.7268 -17.7263 -17.7263 -1.5978 -1.5978 -1.5960 -1.5960 -0.5876 -0.5876 -0.5861 -0.5861 -0.0334 -0.0334 -0.0316 -0.0316 0.2893 0.2893 0.2970 0.2970 0.7487 0.7487 0.7509 0.7509 1.6927 1.6927 1.6948 1.6948 3.3569 3.3569 3.3627 3.3627 3.4525 3.4525 3.4813 3.4813 3.7224 3.7224 3.7423 3.7423 4.4368 4.4368 4.4776 4.4776 4.9478 4.9478 4.9748 4.9748 10.8573 10.8573 10.8575 10.8575 14.4802 14.4802 14.4809 14.4809 k = 0.1286-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.1951 -18.1951 -18.1950 -18.1950 -17.7296 -17.7296 -17.7291 -17.7291 -1.6160 -1.6160 -1.6141 -1.6141 -0.5690 -0.5690 -0.5674 -0.5674 -0.0339 -0.0339 -0.0319 -0.0319 0.3003 0.3003 0.3090 0.3090 0.7576 0.7576 0.7600 0.7600 1.6786 1.6786 1.6810 1.6810 3.3472 3.3472 3.3551 3.3551 3.4497 3.4497 3.4794 3.4794 3.7250 3.7250 3.7462 3.7462 4.4305 4.4305 4.4756 4.4756 4.9435 4.9435 4.9734 4.9734 10.8863 10.8863 10.8865 10.8865 14.4411 14.4411 14.4419 14.4419 k = 0.1429-0.0000 0.4979 ( 2766 PWs) bands (ev): -18.1921 -18.1921 -18.1920 -18.1920 -17.7327 -17.7327 -17.7321 -17.7321 -1.6349 -1.6349 -1.6329 -1.6329 -0.5496 -0.5496 -0.5480 -0.5480 -0.0343 -0.0343 -0.0321 -0.0321 0.3125 0.3125 0.3220 0.3220 0.7675 0.7675 0.7700 0.7700 1.6631 1.6631 1.6658 1.6658 3.3368 3.3368 3.3468 3.3468 3.4466 3.4466 3.4768 3.4768 3.7280 3.7280 3.7503 3.7503 4.4236 4.4236 4.4729 4.4729 4.9394 4.9394 4.9719 4.9719 10.9183 10.9183 10.9185 10.9185 14.3984 14.3984 14.3994 14.3994 k = 0.1571-0.0000 0.4979 ( 2768 PWs) bands (ev): -18.1890 -18.1890 -18.1888 -18.1888 -17.7361 -17.7361 -17.7355 -17.7355 -1.6544 -1.6544 -1.6524 -1.6524 -0.5297 -0.5297 -0.5280 -0.5280 -0.0346 -0.0346 -0.0323 -0.0323 0.3256 0.3256 0.3360 0.3360 0.7785 0.7785 0.7810 0.7810 1.6464 1.6464 1.6495 1.6495 3.3258 3.3258 3.3379 3.3379 3.4431 3.4431 3.4735 3.4735 3.7315 3.7315 3.7547 3.7547 4.4163 4.4163 4.4692 4.4692 4.9356 4.9356 4.9705 4.9705 10.9532 10.9532 10.9534 10.9534 14.3525 14.3525 14.3536 14.3536 k = 0.1714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1855 -18.1855 -18.1854 -18.1854 -17.7397 -17.7397 -17.7391 -17.7391 -1.6743 -1.6743 -1.6722 -1.6722 -0.5095 -0.5095 -0.5077 -0.5077 -0.0347 -0.0347 -0.0323 -0.0323 0.3396 0.3396 0.3509 0.3509 0.7904 0.7904 0.7929 0.7929 1.6287 1.6287 1.6322 1.6322 3.3142 3.3142 3.3285 3.3285 3.4391 3.4391 3.4693 3.4693 3.7355 3.7355 3.7592 3.7592 4.4084 4.4084 4.4648 4.4648 4.9322 4.9322 4.9692 4.9692 10.9908 10.9908 10.9911 10.9911 14.3035 14.3035 14.3047 14.3047 k = 0.1857-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1818 -18.1818 -18.1817 -18.1817 -17.7436 -17.7436 -17.7429 -17.7429 -1.6943 -1.6943 -1.6921 -1.6921 -0.4892 -0.4892 -0.4874 -0.4874 -0.0348 -0.0348 -0.0323 -0.0323 0.3544 0.3544 0.3666 0.3666 0.8033 0.8033 0.8056 0.8056 1.6100 1.6100 1.6140 1.6140 3.3021 3.3021 3.3186 3.3186 3.4347 3.4347 3.4644 3.4644 3.7398 3.7398 3.7639 3.7639 4.4001 4.4001 4.4595 4.4595 4.9291 4.9291 4.9681 4.9681 11.0312 11.0312 11.0314 11.0314 14.2518 14.2518 14.2532 14.2532 k = 0.2000-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1779 -18.1779 -18.1778 -18.1778 -17.7477 -17.7477 -17.7469 -17.7469 -1.7143 -1.7143 -1.7121 -1.7121 -0.4691 -0.4691 -0.4673 -0.4673 -0.0347 -0.0347 -0.0321 -0.0321 0.3699 0.3699 0.3829 0.3829 0.8170 0.8170 0.8192 0.8192 1.5905 1.5905 1.5949 1.5949 3.2896 3.2896 3.3083 3.3083 3.4298 3.4298 3.4588 3.4588 3.7444 3.7444 3.7687 3.7687 4.3913 4.3913 4.4534 4.4534 4.9266 4.9266 4.9672 4.9672 11.0740 11.0740 11.0742 11.0742 14.1976 14.1976 14.1991 14.1991 k = 0.2143-0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1739 -18.1739 -18.1737 -18.1737 -17.7521 -17.7521 -17.7512 -17.7512 -1.7341 -1.7341 -1.7319 -1.7319 -0.4492 -0.4492 -0.4474 -0.4474 -0.0344 -0.0344 -0.0318 -0.0318 0.3859 0.3859 0.3997 0.3997 0.8315 0.8315 0.8335 0.8335 1.5704 1.5704 1.5753 1.5753 3.2769 3.2769 3.2976 3.2976 3.4244 3.4244 3.4526 3.4526 3.7493 3.7493 3.7736 3.7736 4.3821 4.3821 4.4466 4.4466 4.9246 4.9246 4.9665 4.9665 11.1191 11.1191 11.1193 11.1193 14.1411 14.1411 14.1428 14.1428 k = 0.2286-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1696 -18.1696 -18.1694 -18.1694 -17.7565 -17.7565 -17.7556 -17.7556 -1.7536 -1.7536 -1.7514 -1.7514 -0.4299 -0.4299 -0.4280 -0.4280 -0.0339 -0.0339 -0.0313 -0.0313 0.4024 0.4024 0.4170 0.4170 0.8468 0.8468 0.8484 0.8484 1.5497 1.5497 1.5552 1.5552 3.2639 3.2639 3.2866 3.2866 3.4184 3.4184 3.4457 3.4457 3.7543 3.7543 3.7785 3.7785 4.3727 4.3727 4.4391 4.4391 4.9232 4.9232 4.9661 4.9661 11.1664 11.1664 11.1666 11.1666 14.0828 14.0828 14.0846 14.0846 k = 0.2429-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1652 -18.1652 -18.1650 -18.1650 -17.7612 -17.7612 -17.7602 -17.7602 -1.7727 -1.7727 -1.7705 -1.7705 -0.4112 -0.4112 -0.4092 -0.4092 -0.0332 -0.0332 -0.0307 -0.0307 0.4193 0.4193 0.4346 0.4346 0.8626 0.8626 0.8638 0.8638 1.5287 1.5287 1.5348 1.5348 3.2508 3.2508 3.2754 3.2754 3.4120 3.4120 3.4382 3.4382 3.7594 3.7594 3.7834 3.7834 4.3630 4.3630 4.4310 4.4310 4.9223 4.9223 4.9660 4.9660 11.2157 11.2157 11.2159 11.2159 14.0227 14.0227 14.0247 14.0247 k = 0.2571-0.0000 0.4979 ( 2758 PWs) bands (ev): -18.1607 -18.1607 -18.1605 -18.1605 -17.7659 -17.7659 -17.7649 -17.7649 -1.7912 -1.7912 -1.7889 -1.7889 -0.3932 -0.3932 -0.3912 -0.3912 -0.0323 -0.0323 -0.0299 -0.0299 0.4364 0.4364 0.4524 0.4524 0.8789 0.8789 0.8795 0.8795 1.5075 1.5075 1.5142 1.5142 3.2377 3.2377 3.2641 3.2641 3.4051 3.4051 3.4302 3.4302 3.7645 3.7645 3.7882 3.7882 4.3532 4.3532 4.4225 4.4225 4.9219 4.9219 4.9662 4.9662 11.2668 11.2668 11.2670 11.2670 13.9612 13.9612 13.9634 13.9634 k = 0.2714-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1560 -18.1560 -18.1559 -18.1559 -17.7708 -17.7708 -17.7697 -17.7697 -1.8090 -1.8090 -1.8068 -1.8068 -0.3760 -0.3760 -0.3739 -0.3739 -0.0311 -0.0311 -0.0289 -0.0289 0.4536 0.4536 0.4703 0.4703 0.8954 0.8954 0.8955 0.8955 1.4863 1.4863 1.4937 1.4937 3.2246 3.2246 3.2527 3.2527 3.3979 3.3979 3.4217 3.4217 3.7696 3.7696 3.7929 3.7929 4.3433 4.3433 4.4137 4.4137 4.9220 4.9220 4.9665 4.9665 11.3195 11.3195 11.3197 11.3197 13.8986 13.8986 13.9009 13.9009 k = 0.2857-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1514 -18.1514 -18.1512 -18.1512 -17.7757 -17.7757 -17.7746 -17.7746 -1.8261 -1.8261 -1.8239 -1.8239 -0.3598 -0.3598 -0.3575 -0.3575 -0.0297 -0.0297 -0.0277 -0.0277 0.4708 0.4708 0.4883 0.4883 0.9114 0.9114 0.9120 0.9120 1.4653 1.4653 1.4735 1.4735 3.2115 3.2115 3.2414 3.2414 3.3903 3.3903 3.4130 3.4130 3.7745 3.7745 3.7975 3.7975 4.3336 4.3336 4.4047 4.4047 4.9224 4.9224 4.9672 4.9672 11.3735 11.3735 11.3737 11.3737 13.8351 13.8351 13.8376 13.8376 k = 0.3000-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1467 -18.1467 -18.1465 -18.1465 -17.7806 -17.7806 -17.7794 -17.7794 -1.8424 -1.8424 -1.8402 -1.8402 -0.3445 -0.3445 -0.3421 -0.3421 -0.0281 -0.0281 -0.0263 -0.0263 0.4879 0.4879 0.5061 0.5061 0.9270 0.9270 0.9283 0.9283 1.4447 1.4447 1.4537 1.4537 3.1988 3.1988 3.2302 3.2302 3.3825 3.3825 3.4040 3.4040 3.7793 3.7793 3.8019 3.8019 4.3240 4.3240 4.3957 4.3957 4.9233 4.9233 4.9680 4.9680 11.4286 11.4286 11.4289 11.4289 13.7710 13.7710 13.7737 13.7737 k = 0.3143-0.0000 0.4979 ( 2760 PWs) bands (ev): -18.1420 -18.1420 -18.1418 -18.1418 -17.7855 -17.7855 -17.7843 -17.7843 -1.8579 -1.8579 -1.8557 -1.8557 -0.3303 -0.3303 -0.3277 -0.3277 -0.0263 -0.0263 -0.0247 -0.0247 0.5049 0.5049 0.5238 0.5238 0.9422 0.9422 0.9443 0.9443 1.4248 1.4248 1.4347 1.4347 3.1862 3.1862 3.2191 3.2191 3.3746 3.3746 3.3949 3.3949 3.7839 3.7839 3.8061 3.8061 4.3148 4.3148 4.3868 4.3868 4.9244 4.9244 4.9690 4.9690 11.4846 11.4846 11.4849 11.4849 13.7066 13.7066 13.7095 13.7095 k = 0.3286-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1373 -18.1373 -18.1372 -18.1372 -17.7904 -17.7904 -17.7891 -17.7891 -1.8723 -1.8723 -1.8702 -1.8702 -0.3172 -0.3172 -0.3144 -0.3144 -0.0243 -0.0243 -0.0229 -0.0229 0.5216 0.5216 0.5412 0.5412 0.9566 0.9566 0.9594 0.9594 1.4058 1.4058 1.4165 1.4165 3.1740 3.1740 3.2083 3.2083 3.3666 3.3666 3.3858 3.3858 3.7882 3.7882 3.8101 3.8101 4.3060 4.3060 4.3781 4.3781 4.9257 4.9257 4.9702 4.9702 11.5411 11.5411 11.5414 11.5414 13.6422 13.6422 13.6453 13.6453 k = 0.3429-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1328 -18.1328 -18.1326 -18.1326 -17.7951 -17.7951 -17.7938 -17.7938 -1.8858 -1.8858 -1.8837 -1.8837 -0.3052 -0.3052 -0.3022 -0.3022 -0.0221 -0.0221 -0.0210 -0.0210 0.5379 0.5379 0.5582 0.5582 0.9698 0.9698 0.9734 0.9734 1.3880 1.3880 1.3996 1.3996 3.1622 3.1622 3.1979 3.1979 3.3586 3.3586 3.3767 3.3767 3.7923 3.7923 3.8138 3.8138 4.2976 4.2976 4.3698 4.3698 4.9272 4.9272 4.9714 4.9714 11.5978 11.5978 11.5982 11.5982 13.5783 13.5783 13.5815 13.5815 k = 0.3571-0.0000 0.4979 ( 2762 PWs) bands (ev): -18.1283 -18.1283 -18.1282 -18.1282 -17.7997 -17.7997 -17.7984 -17.7984 -1.8983 -1.8983 -1.8962 -1.8962 -0.2943 -0.2943 -0.2911 -0.2911 -0.0197 -0.0197 -0.0190 -0.0190 0.5537 0.5537 0.5747 0.5747 0.9818 0.9818 0.9861 0.9861 1.3717 1.3717 1.3842 1.3842 3.1509 3.1509 3.1879 3.1879 3.3509 3.3509 3.3679 3.3679 3.7960 3.7960 3.8172 3.8172 4.2898 4.2898 4.3619 4.3619 4.9287 4.9287 4.9727 4.9727 11.6543 11.6543 11.6547 11.6547 13.5152 13.5152 13.5187 13.5187 k = 0.3714-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1241 -18.1241 -18.1240 -18.1240 -17.8041 -17.8041 -17.8027 -17.8027 -1.9097 -1.9097 -1.9076 -1.9076 -0.2846 -0.2846 -0.2811 -0.2811 -0.0173 -0.0173 -0.0169 -0.0169 0.5688 0.5688 0.5906 0.5906 0.9921 0.9921 0.9970 0.9970 1.3570 1.3570 1.3704 1.3704 3.1403 3.1403 3.1785 3.1785 3.3435 3.3435 3.3595 3.3595 3.7994 3.7994 3.8203 3.8203 4.2826 4.2826 4.3546 4.3546 4.9303 4.9303 4.9739 4.9739 11.7100 11.7100 11.7104 11.7104 13.4535 13.4535 13.4571 13.4571 k = 0.3857-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1202 -18.1202 -18.1201 -18.1201 -17.8083 -17.8083 -17.8068 -17.8068 -1.9200 -1.9200 -1.9179 -1.9179 -0.2760 -0.2760 -0.2723 -0.2723 -0.0149 -0.0149 -0.0148 -0.0148 0.5832 0.5832 0.6057 0.6057 1.0007 1.0007 1.0061 1.0061 1.3444 1.3444 1.3585 1.3585 3.1305 3.1305 3.1697 3.1697 3.3364 3.3364 3.3516 3.3516 3.8024 3.8024 3.8230 3.8230 4.2760 4.2760 4.3479 4.3479 4.9319 4.9319 4.9752 4.9752 11.7644 11.7644 11.7649 11.7649 13.3937 13.3937 13.3975 13.3975 k = 0.4000-0.0000 0.4979 ( 2764 PWs) bands (ev): -18.1165 -18.1165 -18.1164 -18.1164 -17.8121 -17.8121 -17.8106 -17.8106 -1.9291 -1.9291 -1.9270 -1.9270 -0.2685 -0.2685 -0.2646 -0.2646 -0.0128 -0.0128 -0.0125 -0.0125 0.5966 0.5966 0.6199 0.6199 1.0073 1.0073 1.0130 1.0130 1.3338 1.3338 1.3485 1.3485 3.1214 3.1214 3.1617 3.1617 3.3299 3.3299 3.3442 3.3442 3.8051 3.8051 3.8255 3.8255 4.2702 4.2702 4.3419 4.3419 4.9334 4.9334 4.9763 4.9763 11.8167 11.8167 11.8173 11.8173 13.3366 13.3366 13.3406 13.3406 k = 0.4143-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1131 -18.1131 -18.1131 -18.1131 -17.8155 -17.8155 -17.8140 -17.8140 -1.9370 -1.9370 -1.9350 -1.9350 -0.2621 -0.2621 -0.2579 -0.2579 -0.0108 -0.0108 -0.0103 -0.0103 0.6089 0.6089 0.6330 0.6330 1.0122 1.0122 1.0180 1.0180 1.3253 1.3253 1.3405 1.3405 3.1134 3.1134 3.1544 3.1544 3.3241 3.3241 3.3377 3.3377 3.8075 3.8075 3.8277 3.8277 4.2651 4.2651 4.3366 4.3366 4.9348 4.9348 4.9774 4.9774 11.8661 11.8661 11.8668 11.8668 13.2830 13.2830 13.2872 13.2872 k = 0.4286-0.0000 0.4979 ( 2752 PWs) bands (ev): -18.1102 -18.1102 -18.1102 -18.1102 -17.8186 -17.8186 -17.8170 -17.8170 -1.9438 -1.9438 -1.9417 -1.9417 -0.2567 -0.2567 -0.2524 -0.2524 -0.0090 -0.0090 -0.0082 -0.0082 0.6198 0.6198 0.6448 0.6448 1.0153 1.0153 1.0210 1.0210 1.3189 1.3189 1.3344 1.3344 3.1063 3.1063 3.1481 3.1481 3.3190 3.3190 3.3319 3.3319 3.8095 3.8095 3.8295 3.8295 4.2607 4.2607 4.3321 4.3321 4.9360 4.9360 4.9784 4.9784 11.9115 11.9115 11.9124 11.9124 13.2340 13.2340 13.2384 13.2384 k = 0.4429-0.0000 0.4979 ( 2748 PWs) bands (ev): -18.1077 -18.1077 -18.1077 -18.1077 -17.8211 -17.8211 -17.8195 -17.8195 -1.9493 -1.9493 -1.9473 -1.9473 -0.2524 -0.2524 -0.2479 -0.2479 -0.0075 -0.0075 -0.0065 -0.0065 0.6292 0.6292 0.6549 0.6549 1.0171 1.0171 1.0225 1.0225 1.3143 1.3143 1.3299 1.3299 3.1004 3.1004 3.1429 3.1429 3.3147 3.3147 3.3271 3.3271 3.8111 3.8111 3.8309 3.8309 4.2572 4.2572 4.3283 4.3283 4.9371 4.9371 4.9793 4.9793 11.9517 11.9517 11.9527 11.9527 13.1909 13.1909 13.1955 13.1955 k = 0.4571-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.1058 -18.1058 -18.1057 -18.1057 -17.8232 -17.8232 -17.8215 -17.8215 -1.9537 -1.9537 -1.9517 -1.9517 -0.2491 -0.2491 -0.2444 -0.2444 -0.0062 -0.0062 -0.0050 -0.0050 0.6368 0.6368 0.6631 0.6631 1.0179 1.0179 1.0230 1.0230 1.3111 1.3111 1.3268 1.3268 3.0957 3.0957 3.1386 3.1386 3.3112 3.3112 3.3232 3.3232 3.8123 3.8123 3.8320 3.8320 4.2544 4.2544 4.3254 4.3254 4.9379 4.9379 4.9799 4.9799 11.9852 11.9852 11.9863 11.9863 13.1551 13.1551 13.1598 13.1598 k = 0.4714-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.1043 -18.1043 -18.1043 -18.1043 -17.8247 -17.8247 -17.8230 -17.8230 -1.9568 -1.9568 -1.9548 -1.9548 -0.2468 -0.2468 -0.2420 -0.2420 -0.0053 -0.0053 -0.0039 -0.0039 0.6424 0.6424 0.6692 0.6692 1.0181 1.0181 1.0229 1.0229 1.3092 1.3092 1.3248 1.3248 3.0923 3.0923 3.1355 3.1355 3.3087 3.3087 3.3204 3.3204 3.8132 3.8132 3.8328 3.8328 4.2524 4.2524 4.3233 4.3233 4.9385 4.9385 4.9804 4.9804 12.0106 12.0106 12.0118 12.0118 13.1280 13.1280 13.1329 13.1329 k = 0.4857-0.0000 0.4979 ( 2754 PWs) bands (ev): -18.1034 -18.1034 -18.1034 -18.1034 -17.8256 -17.8256 -17.8239 -17.8239 -1.9587 -1.9587 -1.9567 -1.9567 -0.2454 -0.2454 -0.2405 -0.2405 -0.0047 -0.0047 -0.0033 -0.0033 0.6459 0.6459 0.6730 0.6730 1.0181 1.0181 1.0226 1.0226 1.3082 1.3082 1.3237 1.3237 3.0902 3.0902 3.1337 3.1337 3.3072 3.3072 3.3187 3.3187 3.8137 3.8137 3.8333 3.8333 4.2512 4.2512 4.3220 4.3220 4.9389 4.9389 4.9807 4.9807 12.0265 12.0265 12.0278 12.0278 13.1111 13.1111 13.1161 13.1161 k = 0.5000-0.0000 0.4979 ( 2756 PWs) bands (ev): -18.1031 -18.1031 -18.1031 -18.1031 -17.8259 -17.8259 -17.8242 -17.8242 -1.9593 -1.9593 -1.9573 -1.9573 -0.2449 -0.2449 -0.2400 -0.2400 -0.0045 -0.0045 -0.0030 -0.0030 0.6471 0.6471 0.6743 0.6743 1.0180 1.0180 1.0224 1.0224 1.3078 1.3078 1.3234 1.3234 3.0895 3.0895 3.1330 3.1330 3.3067 3.3067 3.3181 3.3181 3.8139 3.8139 3.8334 3.8334 4.2508 4.2508 4.3216 4.3216 4.9391 4.9391 4.9808 4.9808 12.0319 12.0319 12.0333 12.0333 13.1053 13.1053 13.1104 13.1104 Writing output data file CuF2.save init_run : 0.18s CPU 0.31s WALL ( 1 calls) electrons : 113.73s CPU 116.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 113.73s CPU 116.22s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 348 calls) cegterg : 103.36s CPU 104.98s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 53.94s CPU 55.10s WALL ( 4527 calls) s_psi : 2.79s CPU 2.80s WALL ( 4527 calls) g_psi : 0.09s CPU 0.12s WALL ( 3830 calls) cdiaghg : 44.23s CPU 45.08s WALL ( 4178 calls) cegterg:over : 4.11s CPU 4.14s WALL ( 3830 calls) cegterg:upda : 3.20s CPU 3.11s WALL ( 3830 calls) cegterg:last : 1.75s CPU 1.78s WALL ( 888 calls) cdiaghg:chol : 2.43s CPU 2.57s WALL ( 4178 calls) cdiaghg:inve : 1.76s CPU 1.79s WALL ( 4178 calls) cdiaghg:para : 3.19s CPU 3.26s WALL ( 8356 calls) Called by h_psi: h_psi:vloc : 46.68s CPU 47.85s WALL ( 4527 calls) h_psi:vnl : 7.09s CPU 7.12s WALL ( 4527 calls) add_vuspsi : 3.53s CPU 3.52s WALL ( 4527 calls) General routines calbec : 3.56s CPU 3.58s WALL ( 4527 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.10s CPU 45.13s WALL ( 681924 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.18s WALL ( 696 calls) Parallel routines fft_scatter : 17.62s CPU 18.09s WALL ( 681947 calls) PWSCF : 2m 9.38s CPU 2m27.46s WALL This run was terminated on: 17:46:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=