Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:59 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: ./YSi.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 45 30 9 1121 624 103 Max 46 31 10 1124 637 106 Sum 1639 1105 339 40403 22723 3735 bravais-lattice index = 14 lattice parameter (alat) = 10.7261 a.u. unit-cell volume = 577.6516 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.726075 celldm(2)= 1.000000 celldm(3)= 0.674067 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.719542 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.719542 0.694449 0.000000 ) a(3) = ( 0.000000 0.000000 0.674067 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.036133 -0.000000 ) b(2) = ( 0.000000 1.439990 -0.000000 ) b(3) = ( 0.000000 0.000000 1.483532 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3370334 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3370334 ) 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0067622 0.0167441 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0135244 0.0334882 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0202866 0.0502322 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0270488 0.0669763 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0338111 0.0837204 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0405733 0.1004644 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0473355 0.1172085 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0540977 0.1339526 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0608599 0.1506966 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0676221 0.1674407 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0743843 0.1841848 -0.0000000), wk = 0.0023697 k( 13) = ( 0.0811465 0.2009289 -0.0000000), wk = 0.0023697 k( 14) = ( 0.0879088 0.2176729 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0946710 0.2344170 -0.0000000), wk = 0.0023697 k( 16) = ( 0.1014332 0.2511611 -0.0000000), wk = 0.0023697 k( 17) = ( 0.1081954 0.2679051 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1149576 0.2846492 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1217198 0.3013933 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1284820 0.3181374 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1352443 0.3348814 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1420065 0.3516255 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1487687 0.3683696 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1555309 0.3851137 -0.0000000), wk = 0.0023697 k( 25) = ( 0.1622931 0.4018577 -0.0000000), wk = 0.0023697 k( 26) = ( 0.1690553 0.4186018 -0.0000000), wk = 0.0023697 k( 27) = ( 0.1758175 0.4353459 -0.0000000), wk = 0.0023697 k( 28) = ( 0.1825797 0.4520899 -0.0000000), wk = 0.0023697 k( 29) = ( 0.1893420 0.4688340 -0.0000000), wk = 0.0023697 k( 30) = ( 0.1961042 0.4855781 -0.0000000), wk = 0.0023697 k( 31) = ( 0.2028664 0.5023222 -0.0000000), wk = 0.0023697 k( 32) = ( 0.2096286 0.5190662 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2163908 0.5358103 -0.0000000), wk = 0.0023697 k( 34) = ( 0.2231530 0.5525544 -0.0000000), wk = 0.0023697 k( 35) = ( 0.2299152 0.5692985 -0.0000000), wk = 0.0023697 k( 36) = ( 0.2366774 0.5860425 -0.0000000), wk = 0.0023697 k( 37) = ( 0.2434397 0.6027866 -0.0000000), wk = 0.0023697 k( 38) = ( 0.2502019 0.6195307 -0.0000000), wk = 0.0023697 k( 39) = ( 0.2569641 0.6362747 -0.0000000), wk = 0.0023697 k( 40) = ( 0.2637263 0.6530188 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2704885 0.6697629 -0.0000000), wk = 0.0023697 k( 42) = ( 0.2772507 0.6865070 -0.0000000), wk = 0.0023697 k( 43) = ( 0.2840129 0.7032510 -0.0000000), wk = 0.0023697 k( 44) = ( 0.2907751 0.7199951 -0.0000000), wk = 0.0023697 k( 45) = ( 0.2907751 0.7199951 -0.0000000), wk = 0.0023697 k( 46) = ( 0.2736707 0.7199951 -0.0000000), wk = 0.0023697 k( 47) = ( 0.2565663 0.7199951 -0.0000000), wk = 0.0023697 k( 48) = ( 0.2394619 0.7199951 -0.0000000), wk = 0.0023697 k( 49) = ( 0.2223575 0.7199951 -0.0000000), wk = 0.0023697 k( 50) = ( 0.2052530 0.7199951 -0.0000000), wk = 0.0023697 k( 51) = ( 0.1881486 0.7199951 -0.0000000), wk = 0.0023697 k( 52) = ( 0.1710442 0.7199951 -0.0000000), wk = 0.0023697 k( 53) = ( 0.1539398 0.7199951 -0.0000000), wk = 0.0023697 k( 54) = ( 0.1368354 0.7199951 -0.0000000), wk = 0.0023697 k( 55) = ( 0.1197309 0.7199951 -0.0000000), wk = 0.0023697 k( 56) = ( 0.1026265 0.7199951 -0.0000000), wk = 0.0023697 k( 57) = ( 0.0855221 0.7199951 -0.0000000), wk = 0.0023697 k( 58) = ( 0.0684177 0.7199951 -0.0000000), wk = 0.0023697 k( 59) = ( 0.0513133 0.7199951 -0.0000000), wk = 0.0023697 k( 60) = ( 0.0342088 0.7199951 -0.0000000), wk = 0.0023697 k( 61) = ( 0.0171044 0.7199951 -0.0000000), wk = 0.0023697 k( 62) = ( 0.0000000 0.7199951 -0.0000000), wk = 0.0023697 k( 63) = ( 0.0000000 0.7199951 -0.0000000), wk = 0.0023697 k( 64) = ( 0.0000000 0.7199951 0.0176611), wk = 0.0023697 k( 65) = ( 0.0000000 0.7199951 0.0353222), wk = 0.0023697 k( 66) = ( 0.0000000 0.7199951 0.0529833), wk = 0.0023697 k( 67) = ( 0.0000000 0.7199951 0.0706444), wk = 0.0023697 k( 68) = ( 0.0000000 0.7199951 0.0883055), wk = 0.0023697 k( 69) = ( 0.0000000 0.7199951 0.1059666), wk = 0.0023697 k( 70) = ( 0.0000000 0.7199951 0.1236277), wk = 0.0023697 k( 71) = ( 0.0000000 0.7199951 0.1412888), wk = 0.0023697 k( 72) = ( 0.0000000 0.7199951 0.1589499), wk = 0.0023697 k( 73) = ( 0.0000000 0.7199951 0.1766110), wk = 0.0023697 k( 74) = ( 0.0000000 0.7199951 0.1942721), wk = 0.0023697 k( 75) = ( 0.0000000 0.7199951 0.2119332), wk = 0.0023697 k( 76) = ( 0.0000000 0.7199951 0.2295943), wk = 0.0023697 k( 77) = ( 0.0000000 0.7199951 0.2472554), wk = 0.0023697 k( 78) = ( 0.0000000 0.7199951 0.2649165), wk = 0.0023697 k( 79) = ( 0.0000000 0.7199951 0.2825776), wk = 0.0023697 k( 80) = ( 0.0000000 0.7199951 0.3002387), wk = 0.0023697 k( 81) = ( 0.0000000 0.7199951 0.3178998), wk = 0.0023697 k( 82) = ( 0.0000000 0.7199951 0.3355609), wk = 0.0023697 k( 83) = ( 0.0000000 0.7199951 0.3532220), wk = 0.0023697 k( 84) = ( 0.0000000 0.7199951 0.3708831), wk = 0.0023697 k( 85) = ( 0.0000000 0.7199951 0.3885442), wk = 0.0023697 k( 86) = ( 0.0000000 0.7199951 0.4062053), wk = 0.0023697 k( 87) = ( 0.0000000 0.7199951 0.4238664), wk = 0.0023697 k( 88) = ( 0.0000000 0.7199951 0.4415275), wk = 0.0023697 k( 89) = ( 0.0000000 0.7199951 0.4591886), wk = 0.0023697 k( 90) = ( 0.0000000 0.7199951 0.4768497), wk = 0.0023697 k( 91) = ( 0.0000000 0.7199951 0.4945108), wk = 0.0023697 k( 92) = ( 0.0000000 0.7199951 0.5121719), wk = 0.0023697 k( 93) = ( 0.0000000 0.7199951 0.5298330), wk = 0.0023697 k( 94) = ( 0.0000000 0.7199951 0.5474941), wk = 0.0023697 k( 95) = ( 0.0000000 0.7199951 0.5651552), wk = 0.0023697 k( 96) = ( 0.0000000 0.7199951 0.5828163), wk = 0.0023697 k( 97) = ( 0.0000000 0.7199951 0.6004774), wk = 0.0023697 k( 98) = ( 0.0000000 0.7199951 0.6181385), wk = 0.0023697 k( 99) = ( 0.0000000 0.7199951 0.6357996), wk = 0.0023697 k( 100) = ( 0.0000000 0.7199951 0.6534607), wk = 0.0023697 k( 101) = ( 0.0000000 0.7199951 0.6711218), wk = 0.0023697 k( 102) = ( 0.0000000 0.7199951 0.6887829), wk = 0.0023697 k( 103) = ( 0.0000000 0.7199951 0.7064440), wk = 0.0023697 k( 104) = ( 0.0000000 0.7199951 0.7241051), wk = 0.0023697 k( 105) = ( 0.0000000 0.7199951 0.7417662), wk = 0.0023697 k( 106) = ( 0.0000000 0.7199951 0.7417662), wk = 0.0023697 k( 107) = ( 0.0171044 0.7199951 0.7417662), wk = 0.0023697 k( 108) = ( 0.0342088 0.7199951 0.7417662), wk = 0.0023697 k( 109) = ( 0.0513133 0.7199951 0.7417662), wk = 0.0023697 k( 110) = ( 0.0684177 0.7199951 0.7417662), wk = 0.0023697 k( 111) = ( 0.0855221 0.7199951 0.7417662), wk = 0.0023697 k( 112) = ( 0.1026265 0.7199951 0.7417662), wk = 0.0023697 k( 113) = ( 0.1197309 0.7199951 0.7417662), wk = 0.0023697 k( 114) = ( 0.1368354 0.7199951 0.7417662), wk = 0.0023697 k( 115) = ( 0.1539398 0.7199951 0.7417662), wk = 0.0023697 k( 116) = ( 0.1710442 0.7199951 0.7417662), wk = 0.0023697 k( 117) = ( 0.1881486 0.7199951 0.7417662), wk = 0.0023697 k( 118) = ( 0.2052530 0.7199951 0.7417662), wk = 0.0023697 k( 119) = ( 0.2223575 0.7199951 0.7417662), wk = 0.0023697 k( 120) = ( 0.2394619 0.7199951 0.7417662), wk = 0.0023697 k( 121) = ( 0.2565663 0.7199951 0.7417662), wk = 0.0023697 k( 122) = ( 0.2736707 0.7199951 0.7417662), wk = 0.0023697 k( 123) = ( 0.2907751 0.7199951 0.7417662), wk = 0.0023697 k( 124) = ( 0.2907751 0.7199951 0.7417662), wk = 0.0023697 k( 125) = ( 0.2840129 0.7032510 0.7417662), wk = 0.0023697 k( 126) = ( 0.2772507 0.6865070 0.7417662), wk = 0.0023697 k( 127) = ( 0.2704885 0.6697629 0.7417662), wk = 0.0023697 k( 128) = ( 0.2637263 0.6530188 0.7417662), wk = 0.0023697 k( 129) = ( 0.2569641 0.6362747 0.7417662), wk = 0.0023697 k( 130) = ( 0.2502019 0.6195307 0.7417662), wk = 0.0023697 k( 131) = ( 0.2434397 0.6027866 0.7417662), wk = 0.0023697 k( 132) = ( 0.2366774 0.5860425 0.7417662), wk = 0.0023697 k( 133) = ( 0.2299152 0.5692985 0.7417662), wk = 0.0023697 k( 134) = ( 0.2231530 0.5525544 0.7417662), wk = 0.0023697 k( 135) = ( 0.2163908 0.5358103 0.7417662), wk = 0.0023697 k( 136) = ( 0.2096286 0.5190662 0.7417662), wk = 0.0023697 k( 137) = ( 0.2028664 0.5023222 0.7417662), wk = 0.0023697 k( 138) = ( 0.1961042 0.4855781 0.7417662), wk = 0.0023697 k( 139) = ( 0.1893420 0.4688340 0.7417662), wk = 0.0023697 k( 140) = ( 0.1825797 0.4520899 0.7417662), wk = 0.0023697 k( 141) = ( 0.1758175 0.4353459 0.7417662), wk = 0.0023697 k( 142) = ( 0.1690553 0.4186018 0.7417662), wk = 0.0023697 k( 143) = ( 0.1622931 0.4018577 0.7417662), wk = 0.0023697 k( 144) = ( 0.1555309 0.3851137 0.7417662), wk = 0.0023697 k( 145) = ( 0.1487687 0.3683696 0.7417662), wk = 0.0023697 k( 146) = ( 0.1420065 0.3516255 0.7417662), wk = 0.0023697 k( 147) = ( 0.1352443 0.3348814 0.7417662), wk = 0.0023697 k( 148) = ( 0.1284820 0.3181374 0.7417662), wk = 0.0023697 k( 149) = ( 0.1217198 0.3013933 0.7417662), wk = 0.0023697 k( 150) = ( 0.1149576 0.2846492 0.7417662), wk = 0.0023697 k( 151) = ( 0.1081954 0.2679051 0.7417662), wk = 0.0023697 k( 152) = ( 0.1014332 0.2511611 0.7417662), wk = 0.0023697 k( 153) = ( 0.0946710 0.2344170 0.7417662), wk = 0.0023697 k( 154) = ( 0.0879088 0.2176729 0.7417662), wk = 0.0023697 k( 155) = ( 0.0811465 0.2009289 0.7417662), wk = 0.0023697 k( 156) = ( 0.0743843 0.1841848 0.7417662), wk = 0.0023697 k( 157) = ( 0.0676221 0.1674407 0.7417662), wk = 0.0023697 k( 158) = ( 0.0608599 0.1506966 0.7417662), wk = 0.0023697 k( 159) = ( 0.0540977 0.1339526 0.7417662), wk = 0.0023697 k( 160) = ( 0.0473355 0.1172085 0.7417662), wk = 0.0023697 k( 161) = ( 0.0405733 0.1004644 0.7417662), wk = 0.0023697 k( 162) = ( 0.0338111 0.0837204 0.7417662), wk = 0.0023697 k( 163) = ( 0.0270488 0.0669763 0.7417662), wk = 0.0023697 k( 164) = ( 0.0202866 0.0502322 0.7417662), wk = 0.0023697 k( 165) = ( 0.0135244 0.0334882 0.7417662), wk = 0.0023697 k( 166) = ( 0.0067622 0.0167441 0.7417662), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.7417662), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.7417662), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.7241051), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.7064440), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.6887829), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.6711218), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.6534607), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.6357996), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.6181385), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.6004774), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.5828163), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.5651552), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.5474941), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.5298330), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.5121719), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.4945108), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.4768497), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.4591886), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.4415275), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.4238664), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.4062053), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.3885442), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.3708831), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.3532220), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.3355609), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.3178998), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.3002387), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.2825776), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.2649165), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.2472554), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.2295943), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.2119332), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.1942721), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.1766110), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.1589499), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.1412888), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.1236277), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.1059666), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0883055), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0706444), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0529833), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.0353222), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.0176611), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 212) = ( -0.0166667 0.0067310 -0.0000000), wk = 0.0023697 k( 213) = ( -0.0333333 0.0134619 0.0000000), wk = 0.0023697 k( 214) = ( -0.0500000 0.0201929 -0.0000000), wk = 0.0023697 k( 215) = ( -0.0666667 0.0269238 -0.0000000), wk = 0.0023697 k( 216) = ( -0.0833333 0.0336548 0.0000000), wk = 0.0023697 k( 217) = ( -0.1000000 0.0403857 -0.0000000), wk = 0.0023697 k( 218) = ( -0.1166667 0.0471167 0.0000000), wk = 0.0023697 k( 219) = ( -0.1333333 0.0538476 -0.0000000), wk = 0.0023697 k( 220) = ( -0.1500000 0.0605786 0.0000000), wk = 0.0023697 k( 221) = ( -0.1666667 0.0673095 0.0000000), wk = 0.0023697 k( 222) = ( -0.1833333 0.0740405 0.0000000), wk = 0.0023697 k( 223) = ( -0.2000000 0.0807714 -0.0000000), wk = 0.0023697 k( 224) = ( -0.2166667 0.0875024 0.0000000), wk = 0.0023697 k( 225) = ( -0.2333333 0.0942333 0.0000000), wk = 0.0023697 k( 226) = ( -0.2500000 0.1009643 0.0000000), wk = 0.0023697 k( 227) = ( -0.2666667 0.1076952 -0.0000000), wk = 0.0023697 k( 228) = ( -0.2833333 0.1144262 -0.0000000), wk = 0.0023697 k( 229) = ( -0.3000000 0.1211571 0.0000000), wk = 0.0023697 k( 230) = ( -0.3166667 0.1278881 -0.0000000), wk = 0.0023697 k( 231) = ( -0.3333333 0.1346190 0.0000000), wk = 0.0023697 k( 232) = ( -0.3500000 0.1413500 -0.0000000), wk = 0.0023697 k( 233) = ( -0.3666667 0.1480809 0.0000000), wk = 0.0023697 k( 234) = ( -0.3833333 0.1548119 0.0000000), wk = 0.0023697 k( 235) = ( -0.4000000 0.1615428 -0.0000000), wk = 0.0023697 k( 236) = ( -0.4166667 0.1682738 0.0000000), wk = 0.0023697 k( 237) = ( -0.4333333 0.1750047 -0.0000000), wk = 0.0023697 k( 238) = ( -0.4500000 0.1817357 -0.0000000), wk = 0.0023697 k( 239) = ( -0.4666667 0.1884667 0.0000000), wk = 0.0023697 k( 240) = ( -0.4833333 0.1951976 -0.0000000), wk = 0.0023697 k( 241) = ( -0.5000000 0.2019286 0.0000000), wk = 0.0023697 k( 242) = ( -0.5000000 0.2019286 0.0000000), wk = 0.0023697 k( 243) = ( -0.4932508 0.2186404 -0.0000000), wk = 0.0023697 k( 244) = ( -0.4865016 0.2353522 -0.0000000), wk = 0.0023697 k( 245) = ( -0.4797524 0.2520640 -0.0000000), wk = 0.0023697 k( 246) = ( -0.4730032 0.2687759 -0.0000000), wk = 0.0023697 k( 247) = ( -0.4662541 0.2854877 -0.0000000), wk = 0.0023697 k( 248) = ( -0.4595049 0.3021995 -0.0000000), wk = 0.0023697 k( 249) = ( -0.4527557 0.3189113 -0.0000000), wk = 0.0023697 k( 250) = ( -0.4460065 0.3356231 -0.0000000), wk = 0.0023697 k( 251) = ( -0.4392573 0.3523350 -0.0000000), wk = 0.0023697 k( 252) = ( -0.4325081 0.3690468 -0.0000000), wk = 0.0023697 k( 253) = ( -0.4257589 0.3857586 -0.0000000), wk = 0.0023697 k( 254) = ( -0.4190097 0.4024704 -0.0000000), wk = 0.0023697 k( 255) = ( -0.4122605 0.4191823 -0.0000000), wk = 0.0023697 k( 256) = ( -0.4055113 0.4358941 -0.0000000), wk = 0.0023697 k( 257) = ( -0.3987622 0.4526059 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3920130 0.4693177 -0.0000000), wk = 0.0023697 k( 259) = ( -0.3852638 0.4860296 -0.0000000), wk = 0.0023697 k( 260) = ( -0.3785146 0.5027414 -0.0000000), wk = 0.0023697 k( 261) = ( -0.3717654 0.5194532 -0.0000000), wk = 0.0023697 k( 262) = ( -0.3650162 0.5361650 -0.0000000), wk = 0.0023697 k( 263) = ( -0.3582670 0.5528769 -0.0000000), wk = 0.0023697 k( 264) = ( -0.3515178 0.5695887 -0.0000000), wk = 0.0023697 k( 265) = ( -0.3447687 0.5863005 -0.0000000), wk = 0.0023697 k( 266) = ( -0.3380195 0.6030123 -0.0000000), wk = 0.0023697 k( 267) = ( -0.3312703 0.6197241 -0.0000000), wk = 0.0023697 k( 268) = ( -0.3245211 0.6364360 -0.0000000), wk = 0.0023697 k( 269) = ( -0.3177719 0.6531478 -0.0000000), wk = 0.0023697 k( 270) = ( -0.3110227 0.6698596 -0.0000000), wk = 0.0023697 k( 271) = ( -0.3042735 0.6865714 -0.0000000), wk = 0.0023697 k( 272) = ( -0.2975243 0.7032833 -0.0000000), wk = 0.0023697 k( 273) = ( -0.2907751 0.7199951 -0.0000000), wk = 0.0023697 k( 274) = ( -0.2907751 0.7199951 -0.0000000), wk = 0.0023697 k( 275) = ( -0.2907751 0.7199951 0.0176611), wk = 0.0023697 k( 276) = ( -0.2907751 0.7199951 0.0353222), wk = 0.0023697 k( 277) = ( -0.2907751 0.7199951 0.0529833), wk = 0.0023697 k( 278) = ( -0.2907751 0.7199951 0.0706444), wk = 0.0023697 k( 279) = ( -0.2907751 0.7199951 0.0883055), wk = 0.0023697 k( 280) = ( -0.2907751 0.7199951 0.1059666), wk = 0.0023697 k( 281) = ( -0.2907751 0.7199951 0.1236277), wk = 0.0023697 k( 282) = ( -0.2907751 0.7199951 0.1412888), wk = 0.0023697 k( 283) = ( -0.2907751 0.7199951 0.1589499), wk = 0.0023697 k( 284) = ( -0.2907751 0.7199951 0.1766110), wk = 0.0023697 k( 285) = ( -0.2907751 0.7199951 0.1942721), wk = 0.0023697 k( 286) = ( -0.2907751 0.7199951 0.2119332), wk = 0.0023697 k( 287) = ( -0.2907751 0.7199951 0.2295943), wk = 0.0023697 k( 288) = ( -0.2907751 0.7199951 0.2472554), wk = 0.0023697 k( 289) = ( -0.2907751 0.7199951 0.2649165), wk = 0.0023697 k( 290) = ( -0.2907751 0.7199951 0.2825776), wk = 0.0023697 k( 291) = ( -0.2907751 0.7199951 0.3002387), wk = 0.0023697 k( 292) = ( -0.2907751 0.7199951 0.3178998), wk = 0.0023697 k( 293) = ( -0.2907751 0.7199951 0.3355609), wk = 0.0023697 k( 294) = ( -0.2907751 0.7199951 0.3532220), wk = 0.0023697 k( 295) = ( -0.2907751 0.7199951 0.3708831), wk = 0.0023697 k( 296) = ( -0.2907751 0.7199951 0.3885442), wk = 0.0023697 k( 297) = ( -0.2907751 0.7199951 0.4062053), wk = 0.0023697 k( 298) = ( -0.2907751 0.7199951 0.4238664), wk = 0.0023697 k( 299) = ( -0.2907751 0.7199951 0.4415275), wk = 0.0023697 k( 300) = ( -0.2907751 0.7199951 0.4591886), wk = 0.0023697 k( 301) = ( -0.2907751 0.7199951 0.4768497), wk = 0.0023697 k( 302) = ( -0.2907751 0.7199951 0.4945108), wk = 0.0023697 k( 303) = ( -0.2907751 0.7199951 0.5121719), wk = 0.0023697 k( 304) = ( -0.2907751 0.7199951 0.5298330), wk = 0.0023697 k( 305) = ( -0.2907751 0.7199951 0.5474941), wk = 0.0023697 k( 306) = ( -0.2907751 0.7199951 0.5651552), wk = 0.0023697 k( 307) = ( -0.2907751 0.7199951 0.5828163), wk = 0.0023697 k( 308) = ( -0.2907751 0.7199951 0.6004774), wk = 0.0023697 k( 309) = ( -0.2907751 0.7199951 0.6181385), wk = 0.0023697 k( 310) = ( -0.2907751 0.7199951 0.6357996), wk = 0.0023697 k( 311) = ( -0.2907751 0.7199951 0.6534607), wk = 0.0023697 k( 312) = ( -0.2907751 0.7199951 0.6711218), wk = 0.0023697 k( 313) = ( -0.2907751 0.7199951 0.6887829), wk = 0.0023697 k( 314) = ( -0.2907751 0.7199951 0.7064440), wk = 0.0023697 k( 315) = ( -0.2907751 0.7199951 0.7241051), wk = 0.0023697 k( 316) = ( -0.2907751 0.7199951 0.7417662), wk = 0.0023697 k( 317) = ( -0.2907751 0.7199951 0.7417662), wk = 0.0023697 k( 318) = ( -0.2975243 0.7032833 0.7417662), wk = 0.0023697 k( 319) = ( -0.3042735 0.6865714 0.7417662), wk = 0.0023697 k( 320) = ( -0.3110227 0.6698596 0.7417662), wk = 0.0023697 k( 321) = ( -0.3177719 0.6531478 0.7417662), wk = 0.0023697 k( 322) = ( -0.3245211 0.6364360 0.7417662), wk = 0.0023697 k( 323) = ( -0.3312703 0.6197241 0.7417662), wk = 0.0023697 k( 324) = ( -0.3380195 0.6030123 0.7417662), wk = 0.0023697 k( 325) = ( -0.3447687 0.5863005 0.7417662), wk = 0.0023697 k( 326) = ( -0.3515178 0.5695887 0.7417662), wk = 0.0023697 k( 327) = ( -0.3582670 0.5528769 0.7417662), wk = 0.0023697 k( 328) = ( -0.3650162 0.5361650 0.7417662), wk = 0.0023697 k( 329) = ( -0.3717654 0.5194532 0.7417662), wk = 0.0023697 k( 330) = ( -0.3785146 0.5027414 0.7417662), wk = 0.0023697 k( 331) = ( -0.3852638 0.4860296 0.7417662), wk = 0.0023697 k( 332) = ( -0.3920130 0.4693177 0.7417662), wk = 0.0023697 k( 333) = ( -0.3987622 0.4526059 0.7417662), wk = 0.0023697 k( 334) = ( -0.4055113 0.4358941 0.7417662), wk = 0.0023697 k( 335) = ( -0.4122605 0.4191823 0.7417662), wk = 0.0023697 k( 336) = ( -0.4190097 0.4024704 0.7417662), wk = 0.0023697 k( 337) = ( -0.4257589 0.3857586 0.7417662), wk = 0.0023697 k( 338) = ( -0.4325081 0.3690468 0.7417662), wk = 0.0023697 k( 339) = ( -0.4392573 0.3523350 0.7417662), wk = 0.0023697 k( 340) = ( -0.4460065 0.3356231 0.7417662), wk = 0.0023697 k( 341) = ( -0.4527557 0.3189113 0.7417662), wk = 0.0023697 k( 342) = ( -0.4595049 0.3021995 0.7417662), wk = 0.0023697 k( 343) = ( -0.4662541 0.2854877 0.7417662), wk = 0.0023697 k( 344) = ( -0.4730032 0.2687759 0.7417662), wk = 0.0023697 k( 345) = ( -0.4797524 0.2520640 0.7417662), wk = 0.0023697 k( 346) = ( -0.4865016 0.2353522 0.7417662), wk = 0.0023697 k( 347) = ( -0.4932508 0.2186404 0.7417662), wk = 0.0023697 k( 348) = ( -0.5000000 0.2019286 0.7417662), wk = 0.0023697 k( 349) = ( -0.5000000 0.2019286 0.7417662), wk = 0.0023697 k( 350) = ( -0.5000000 0.2019286 0.7241051), wk = 0.0023697 k( 351) = ( -0.5000000 0.2019286 0.7064440), wk = 0.0023697 k( 352) = ( -0.5000000 0.2019286 0.6887829), wk = 0.0023697 k( 353) = ( -0.5000000 0.2019286 0.6711218), wk = 0.0023697 k( 354) = ( -0.5000000 0.2019286 0.6534607), wk = 0.0023697 k( 355) = ( -0.5000000 0.2019286 0.6357996), wk = 0.0023697 k( 356) = ( -0.5000000 0.2019286 0.6181385), wk = 0.0023697 k( 357) = ( -0.5000000 0.2019286 0.6004774), wk = 0.0023697 k( 358) = ( -0.5000000 0.2019286 0.5828163), wk = 0.0023697 k( 359) = ( -0.5000000 0.2019286 0.5651552), wk = 0.0023697 k( 360) = ( -0.5000000 0.2019286 0.5474941), wk = 0.0023697 k( 361) = ( -0.5000000 0.2019286 0.5298330), wk = 0.0023697 k( 362) = ( -0.5000000 0.2019286 0.5121719), wk = 0.0023697 k( 363) = ( -0.5000000 0.2019286 0.4945108), wk = 0.0023697 k( 364) = ( -0.5000000 0.2019286 0.4768497), wk = 0.0023697 k( 365) = ( -0.5000000 0.2019286 0.4591886), wk = 0.0023697 k( 366) = ( -0.5000000 0.2019286 0.4415275), wk = 0.0023697 k( 367) = ( -0.5000000 0.2019286 0.4238664), wk = 0.0023697 k( 368) = ( -0.5000000 0.2019286 0.4062053), wk = 0.0023697 k( 369) = ( -0.5000000 0.2019286 0.3885442), wk = 0.0023697 k( 370) = ( -0.5000000 0.2019286 0.3708831), wk = 0.0023697 k( 371) = ( -0.5000000 0.2019286 0.3532220), wk = 0.0023697 k( 372) = ( -0.5000000 0.2019286 0.3355609), wk = 0.0023697 k( 373) = ( -0.5000000 0.2019286 0.3178998), wk = 0.0023697 k( 374) = ( -0.5000000 0.2019286 0.3002387), wk = 0.0023697 k( 375) = ( -0.5000000 0.2019286 0.2825776), wk = 0.0023697 k( 376) = ( -0.5000000 0.2019286 0.2649165), wk = 0.0023697 k( 377) = ( -0.5000000 0.2019286 0.2472554), wk = 0.0023697 k( 378) = ( -0.5000000 0.2019286 0.2295943), wk = 0.0023697 k( 379) = ( -0.5000000 0.2019286 0.2119332), wk = 0.0023697 k( 380) = ( -0.5000000 0.2019286 0.1942721), wk = 0.0023697 k( 381) = ( -0.5000000 0.2019286 0.1766110), wk = 0.0023697 k( 382) = ( -0.5000000 0.2019286 0.1589499), wk = 0.0023697 k( 383) = ( -0.5000000 0.2019286 0.1412888), wk = 0.0023697 k( 384) = ( -0.5000000 0.2019286 0.1236277), wk = 0.0023697 k( 385) = ( -0.5000000 0.2019286 0.1059666), wk = 0.0023697 k( 386) = ( -0.5000000 0.2019286 0.0883055), wk = 0.0023697 k( 387) = ( -0.5000000 0.2019286 0.0706444), wk = 0.0023697 k( 388) = ( -0.5000000 0.2019286 0.0529833), wk = 0.0023697 k( 389) = ( -0.5000000 0.2019286 0.0353222), wk = 0.0023697 k( 390) = ( -0.5000000 0.2019286 0.0176611), wk = 0.0023697 k( 391) = ( -0.5000000 0.2019286 0.0000000), wk = 0.0023697 k( 392) = ( 0.0000000 0.0000000 0.7417662), wk = 0.0023697 k( 393) = ( -0.0166667 0.0067310 0.7417662), wk = 0.0023697 k( 394) = ( -0.0333333 0.0134619 0.7417662), wk = 0.0023697 k( 395) = ( -0.0500000 0.0201929 0.7417662), wk = 0.0023697 k( 396) = ( -0.0666667 0.0269238 0.7417662), wk = 0.0023697 k( 397) = ( -0.0833333 0.0336548 0.7417662), wk = 0.0023697 k( 398) = ( -0.1000000 0.0403857 0.7417662), wk = 0.0023697 k( 399) = ( -0.1166667 0.0471167 0.7417662), wk = 0.0023697 k( 400) = ( -0.1333333 0.0538476 0.7417662), wk = 0.0023697 k( 401) = ( -0.1500000 0.0605786 0.7417662), wk = 0.0023697 k( 402) = ( -0.1666667 0.0673095 0.7417662), wk = 0.0023697 k( 403) = ( -0.1833333 0.0740405 0.7417662), wk = 0.0023697 k( 404) = ( -0.2000000 0.0807714 0.7417662), wk = 0.0023697 k( 405) = ( -0.2166667 0.0875024 0.7417662), wk = 0.0023697 k( 406) = ( -0.2333333 0.0942333 0.7417662), wk = 0.0023697 k( 407) = ( -0.2500000 0.1009643 0.7417662), wk = 0.0023697 k( 408) = ( -0.2666667 0.1076952 0.7417662), wk = 0.0023697 k( 409) = ( -0.2833333 0.1144262 0.7417662), wk = 0.0023697 k( 410) = ( -0.3000000 0.1211571 0.7417662), wk = 0.0023697 k( 411) = ( -0.3166667 0.1278881 0.7417662), wk = 0.0023697 k( 412) = ( -0.3333333 0.1346190 0.7417662), wk = 0.0023697 k( 413) = ( -0.3500000 0.1413500 0.7417662), wk = 0.0023697 k( 414) = ( -0.3666667 0.1480809 0.7417662), wk = 0.0023697 k( 415) = ( -0.3833333 0.1548119 0.7417662), wk = 0.0023697 k( 416) = ( -0.4000000 0.1615428 0.7417662), wk = 0.0023697 k( 417) = ( -0.4166667 0.1682738 0.7417662), wk = 0.0023697 k( 418) = ( -0.4333333 0.1750047 0.7417662), wk = 0.0023697 k( 419) = ( -0.4500000 0.1817357 0.7417662), wk = 0.0023697 k( 420) = ( -0.4666667 0.1884667 0.7417662), wk = 0.0023697 k( 421) = ( -0.4833333 0.1951976 0.7417662), wk = 0.0023697 k( 422) = ( -0.5000000 0.2019286 0.7417662), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0067622 0.0067622 0.0000000), wk = 0.0023697 k( 3) = ( 0.0135244 0.0135244 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0202866 0.0202866 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0270488 0.0270488 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0338111 0.0338111 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0405733 0.0405733 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0473355 0.0473355 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0540977 0.0540977 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0608599 0.0608599 0.0000000), wk = 0.0023697 k( 11) = ( 0.0676221 0.0676221 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0743843 0.0743843 -0.0000000), wk = 0.0023697 k( 13) = ( 0.0811465 0.0811465 0.0000000), wk = 0.0023697 k( 14) = ( 0.0879088 0.0879088 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0946710 0.0946710 -0.0000000), wk = 0.0023697 k( 16) = ( 0.1014332 0.1014332 0.0000000), wk = 0.0023697 k( 17) = ( 0.1081954 0.1081954 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1149576 0.1149576 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1217198 0.1217198 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1284820 0.1284820 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1352443 0.1352443 0.0000000), wk = 0.0023697 k( 22) = ( 0.1420065 0.1420065 0.0000000), wk = 0.0023697 k( 23) = ( 0.1487687 0.1487687 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1555309 0.1555309 0.0000000), wk = 0.0023697 k( 25) = ( 0.1622931 0.1622931 0.0000000), wk = 0.0023697 k( 26) = ( 0.1690553 0.1690553 -0.0000000), wk = 0.0023697 k( 27) = ( 0.1758175 0.1758175 -0.0000000), wk = 0.0023697 k( 28) = ( 0.1825797 0.1825797 -0.0000000), wk = 0.0023697 k( 29) = ( 0.1893420 0.1893420 -0.0000000), wk = 0.0023697 k( 30) = ( 0.1961042 0.1961042 -0.0000000), wk = 0.0023697 k( 31) = ( 0.2028664 0.2028664 0.0000000), wk = 0.0023697 k( 32) = ( 0.2096286 0.2096286 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2163908 0.2163908 -0.0000000), wk = 0.0023697 k( 34) = ( 0.2231530 0.2231530 -0.0000000), wk = 0.0023697 k( 35) = ( 0.2299152 0.2299152 0.0000000), wk = 0.0023697 k( 36) = ( 0.2366774 0.2366774 0.0000000), wk = 0.0023697 k( 37) = ( 0.2434397 0.2434397 0.0000000), wk = 0.0023697 k( 38) = ( 0.2502019 0.2502019 -0.0000000), wk = 0.0023697 k( 39) = ( 0.2569641 0.2569641 -0.0000000), wk = 0.0023697 k( 40) = ( 0.2637263 0.2637263 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2704885 0.2704885 0.0000000), wk = 0.0023697 k( 42) = ( 0.2772507 0.2772507 -0.0000000), wk = 0.0023697 k( 43) = ( 0.2840129 0.2840129 0.0000000), wk = 0.0023697 k( 44) = ( 0.2907751 0.2907751 -0.0000000), wk = 0.0023697 k( 45) = ( 0.2907751 0.2907751 -0.0000000), wk = 0.0023697 k( 46) = ( 0.2736707 0.3030825 0.0000000), wk = 0.0023697 k( 47) = ( 0.2565663 0.3153898 -0.0000000), wk = 0.0023697 k( 48) = ( 0.2394619 0.3276972 -0.0000000), wk = 0.0023697 k( 49) = ( 0.2223575 0.3400045 0.0000000), wk = 0.0023697 k( 50) = ( 0.2052530 0.3523119 -0.0000000), wk = 0.0023697 k( 51) = ( 0.1881486 0.3646192 0.0000000), wk = 0.0023697 k( 52) = ( 0.1710442 0.3769266 -0.0000000), wk = 0.0023697 k( 53) = ( 0.1539398 0.3892339 -0.0000000), wk = 0.0023697 k( 54) = ( 0.1368354 0.4015412 -0.0000000), wk = 0.0023697 k( 55) = ( 0.1197309 0.4138486 -0.0000000), wk = 0.0023697 k( 56) = ( 0.1026265 0.4261559 -0.0000000), wk = 0.0023697 k( 57) = ( 0.0855221 0.4384633 0.0000000), wk = 0.0023697 k( 58) = ( 0.0684177 0.4507706 0.0000000), wk = 0.0023697 k( 59) = ( 0.0513133 0.4630780 -0.0000000), wk = 0.0023697 k( 60) = ( 0.0342088 0.4753853 0.0000000), wk = 0.0023697 k( 61) = ( 0.0171044 0.4876927 -0.0000000), wk = 0.0023697 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 64) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0023697 k( 65) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0023697 k( 66) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0023697 k( 67) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0023697 k( 68) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0023697 k( 69) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0023697 k( 70) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0023697 k( 71) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0023697 k( 72) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0023697 k( 73) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0023697 k( 74) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0023697 k( 75) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0023697 k( 76) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0023697 k( 77) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023697 k( 78) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0023697 k( 79) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0023697 k( 80) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0023697 k( 81) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0023697 k( 82) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0023697 k( 83) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0023697 k( 84) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023697 k( 85) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0023697 k( 86) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0023697 k( 87) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0023697 k( 88) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0023697 k( 89) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0023697 k( 90) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0023697 k( 91) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023697 k( 92) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0023697 k( 93) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0023697 k( 94) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0023697 k( 95) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0023697 k( 96) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0023697 k( 97) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0023697 k( 98) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0023697 k( 99) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0023697 k( 100) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0023697 k( 101) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0023697 k( 102) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0023697 k( 103) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0023697 k( 104) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0023697 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 107) = ( 0.0171044 0.4876927 0.5000000), wk = 0.0023697 k( 108) = ( 0.0342088 0.4753853 0.5000000), wk = 0.0023697 k( 109) = ( 0.0513133 0.4630780 0.5000000), wk = 0.0023697 k( 110) = ( 0.0684177 0.4507706 0.5000000), wk = 0.0023697 k( 111) = ( 0.0855221 0.4384633 0.5000000), wk = 0.0023697 k( 112) = ( 0.1026265 0.4261559 0.5000000), wk = 0.0023697 k( 113) = ( 0.1197309 0.4138486 0.5000000), wk = 0.0023697 k( 114) = ( 0.1368354 0.4015412 0.5000000), wk = 0.0023697 k( 115) = ( 0.1539398 0.3892339 0.5000000), wk = 0.0023697 k( 116) = ( 0.1710442 0.3769266 0.5000000), wk = 0.0023697 k( 117) = ( 0.1881486 0.3646192 0.5000000), wk = 0.0023697 k( 118) = ( 0.2052530 0.3523119 0.5000000), wk = 0.0023697 k( 119) = ( 0.2223575 0.3400045 0.5000000), wk = 0.0023697 k( 120) = ( 0.2394619 0.3276972 0.5000000), wk = 0.0023697 k( 121) = ( 0.2565663 0.3153898 0.5000000), wk = 0.0023697 k( 122) = ( 0.2736707 0.3030825 0.5000000), wk = 0.0023697 k( 123) = ( 0.2907751 0.2907751 0.5000000), wk = 0.0023697 k( 124) = ( 0.2907751 0.2907751 0.5000000), wk = 0.0023697 k( 125) = ( 0.2840129 0.2840129 0.5000000), wk = 0.0023697 k( 126) = ( 0.2772507 0.2772507 0.5000000), wk = 0.0023697 k( 127) = ( 0.2704885 0.2704885 0.5000000), wk = 0.0023697 k( 128) = ( 0.2637263 0.2637263 0.5000000), wk = 0.0023697 k( 129) = ( 0.2569641 0.2569641 0.5000000), wk = 0.0023697 k( 130) = ( 0.2502019 0.2502019 0.5000000), wk = 0.0023697 k( 131) = ( 0.2434397 0.2434397 0.5000000), wk = 0.0023697 k( 132) = ( 0.2366774 0.2366774 0.5000000), wk = 0.0023697 k( 133) = ( 0.2299152 0.2299152 0.5000000), wk = 0.0023697 k( 134) = ( 0.2231530 0.2231530 0.5000000), wk = 0.0023697 k( 135) = ( 0.2163908 0.2163908 0.5000000), wk = 0.0023697 k( 136) = ( 0.2096286 0.2096286 0.5000000), wk = 0.0023697 k( 137) = ( 0.2028664 0.2028664 0.5000000), wk = 0.0023697 k( 138) = ( 0.1961042 0.1961042 0.5000000), wk = 0.0023697 k( 139) = ( 0.1893420 0.1893420 0.5000000), wk = 0.0023697 k( 140) = ( 0.1825797 0.1825797 0.5000000), wk = 0.0023697 k( 141) = ( 0.1758175 0.1758175 0.5000000), wk = 0.0023697 k( 142) = ( 0.1690553 0.1690553 0.5000000), wk = 0.0023697 k( 143) = ( 0.1622931 0.1622931 0.5000000), wk = 0.0023697 k( 144) = ( 0.1555309 0.1555309 0.5000000), wk = 0.0023697 k( 145) = ( 0.1487687 0.1487687 0.5000000), wk = 0.0023697 k( 146) = ( 0.1420065 0.1420065 0.5000000), wk = 0.0023697 k( 147) = ( 0.1352443 0.1352443 0.5000000), wk = 0.0023697 k( 148) = ( 0.1284820 0.1284820 0.5000000), wk = 0.0023697 k( 149) = ( 0.1217198 0.1217198 0.5000000), wk = 0.0023697 k( 150) = ( 0.1149576 0.1149576 0.5000000), wk = 0.0023697 k( 151) = ( 0.1081954 0.1081954 0.5000000), wk = 0.0023697 k( 152) = ( 0.1014332 0.1014332 0.5000000), wk = 0.0023697 k( 153) = ( 0.0946710 0.0946710 0.5000000), wk = 0.0023697 k( 154) = ( 0.0879088 0.0879088 0.5000000), wk = 0.0023697 k( 155) = ( 0.0811465 0.0811465 0.5000000), wk = 0.0023697 k( 156) = ( 0.0743843 0.0743843 0.5000000), wk = 0.0023697 k( 157) = ( 0.0676221 0.0676221 0.5000000), wk = 0.0023697 k( 158) = ( 0.0608599 0.0608599 0.5000000), wk = 0.0023697 k( 159) = ( 0.0540977 0.0540977 0.5000000), wk = 0.0023697 k( 160) = ( 0.0473355 0.0473355 0.5000000), wk = 0.0023697 k( 161) = ( 0.0405733 0.0405733 0.5000000), wk = 0.0023697 k( 162) = ( 0.0338111 0.0338111 0.5000000), wk = 0.0023697 k( 163) = ( 0.0270488 0.0270488 0.5000000), wk = 0.0023697 k( 164) = ( 0.0202866 0.0202866 0.5000000), wk = 0.0023697 k( 165) = ( 0.0135244 0.0135244 0.5000000), wk = 0.0023697 k( 166) = ( 0.0067622 0.0067622 0.5000000), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 212) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0023697 k( 213) = ( -0.0333333 0.0333333 0.0000000), wk = 0.0023697 k( 214) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0023697 k( 215) = ( -0.0666667 0.0666667 0.0000000), wk = 0.0023697 k( 216) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0023697 k( 217) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0023697 k( 218) = ( -0.1166667 0.1166667 0.0000000), wk = 0.0023697 k( 219) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0023697 k( 220) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0023697 k( 221) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0023697 k( 222) = ( -0.1833333 0.1833333 0.0000000), wk = 0.0023697 k( 223) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0023697 k( 224) = ( -0.2166667 0.2166667 0.0000000), wk = 0.0023697 k( 225) = ( -0.2333333 0.2333333 0.0000000), wk = 0.0023697 k( 226) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0023697 k( 227) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0023697 k( 228) = ( -0.2833333 0.2833333 0.0000000), wk = 0.0023697 k( 229) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0023697 k( 230) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0023697 k( 231) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0023697 k( 232) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0023697 k( 233) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0023697 k( 234) = ( -0.3833333 0.3833333 0.0000000), wk = 0.0023697 k( 235) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0023697 k( 236) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0023697 k( 237) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0023697 k( 238) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0023697 k( 239) = ( -0.4666667 0.4666667 0.0000000), wk = 0.0023697 k( 240) = ( -0.4833333 0.4833333 0.0000000), wk = 0.0023697 k( 241) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 242) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 243) = ( -0.4932508 0.5067492 0.0000000), wk = 0.0023697 k( 244) = ( -0.4865016 0.5134984 0.0000000), wk = 0.0023697 k( 245) = ( -0.4797524 0.5202476 -0.0000000), wk = 0.0023697 k( 246) = ( -0.4730032 0.5269968 0.0000000), wk = 0.0023697 k( 247) = ( -0.4662541 0.5337459 -0.0000000), wk = 0.0023697 k( 248) = ( -0.4595049 0.5404951 -0.0000000), wk = 0.0023697 k( 249) = ( -0.4527557 0.5472443 0.0000000), wk = 0.0023697 k( 250) = ( -0.4460065 0.5539935 0.0000000), wk = 0.0023697 k( 251) = ( -0.4392573 0.5607427 -0.0000000), wk = 0.0023697 k( 252) = ( -0.4325081 0.5674919 0.0000000), wk = 0.0023697 k( 253) = ( -0.4257589 0.5742411 0.0000000), wk = 0.0023697 k( 254) = ( -0.4190097 0.5809903 -0.0000000), wk = 0.0023697 k( 255) = ( -0.4122605 0.5877395 -0.0000000), wk = 0.0023697 k( 256) = ( -0.4055113 0.5944886 0.0000000), wk = 0.0023697 k( 257) = ( -0.3987622 0.6012378 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3920130 0.6079870 -0.0000000), wk = 0.0023697 k( 259) = ( -0.3852638 0.6147362 0.0000000), wk = 0.0023697 k( 260) = ( -0.3785146 0.6214854 0.0000000), wk = 0.0023697 k( 261) = ( -0.3717654 0.6282346 0.0000000), wk = 0.0023697 k( 262) = ( -0.3650162 0.6349838 -0.0000000), wk = 0.0023697 k( 263) = ( -0.3582670 0.6417330 -0.0000000), wk = 0.0023697 k( 264) = ( -0.3515178 0.6484822 -0.0000000), wk = 0.0023697 k( 265) = ( -0.3447687 0.6552313 -0.0000000), wk = 0.0023697 k( 266) = ( -0.3380195 0.6619805 -0.0000000), wk = 0.0023697 k( 267) = ( -0.3312703 0.6687297 -0.0000000), wk = 0.0023697 k( 268) = ( -0.3245211 0.6754789 0.0000000), wk = 0.0023697 k( 269) = ( -0.3177719 0.6822281 0.0000000), wk = 0.0023697 k( 270) = ( -0.3110227 0.6889773 0.0000000), wk = 0.0023697 k( 271) = ( -0.3042735 0.6957265 -0.0000000), wk = 0.0023697 k( 272) = ( -0.2975243 0.7024757 -0.0000000), wk = 0.0023697 k( 273) = ( -0.2907751 0.7092249 -0.0000000), wk = 0.0023697 k( 274) = ( -0.2907751 0.7092249 -0.0000000), wk = 0.0023697 k( 275) = ( -0.2907751 0.7092249 0.0119048), wk = 0.0023697 k( 276) = ( -0.2907751 0.7092249 0.0238095), wk = 0.0023697 k( 277) = ( -0.2907751 0.7092249 0.0357143), wk = 0.0023697 k( 278) = ( -0.2907751 0.7092249 0.0476190), wk = 0.0023697 k( 279) = ( -0.2907751 0.7092249 0.0595238), wk = 0.0023697 k( 280) = ( -0.2907751 0.7092249 0.0714286), wk = 0.0023697 k( 281) = ( -0.2907751 0.7092249 0.0833333), wk = 0.0023697 k( 282) = ( -0.2907751 0.7092249 0.0952381), wk = 0.0023697 k( 283) = ( -0.2907751 0.7092249 0.1071429), wk = 0.0023697 k( 284) = ( -0.2907751 0.7092249 0.1190476), wk = 0.0023697 k( 285) = ( -0.2907751 0.7092249 0.1309524), wk = 0.0023697 k( 286) = ( -0.2907751 0.7092249 0.1428571), wk = 0.0023697 k( 287) = ( -0.2907751 0.7092249 0.1547619), wk = 0.0023697 k( 288) = ( -0.2907751 0.7092249 0.1666667), wk = 0.0023697 k( 289) = ( -0.2907751 0.7092249 0.1785714), wk = 0.0023697 k( 290) = ( -0.2907751 0.7092249 0.1904762), wk = 0.0023697 k( 291) = ( -0.2907751 0.7092249 0.2023809), wk = 0.0023697 k( 292) = ( -0.2907751 0.7092249 0.2142857), wk = 0.0023697 k( 293) = ( -0.2907751 0.7092249 0.2261905), wk = 0.0023697 k( 294) = ( -0.2907751 0.7092249 0.2380952), wk = 0.0023697 k( 295) = ( -0.2907751 0.7092249 0.2500000), wk = 0.0023697 k( 296) = ( -0.2907751 0.7092249 0.2619048), wk = 0.0023697 k( 297) = ( -0.2907751 0.7092249 0.2738095), wk = 0.0023697 k( 298) = ( -0.2907751 0.7092249 0.2857143), wk = 0.0023697 k( 299) = ( -0.2907751 0.7092249 0.2976190), wk = 0.0023697 k( 300) = ( -0.2907751 0.7092249 0.3095238), wk = 0.0023697 k( 301) = ( -0.2907751 0.7092249 0.3214286), wk = 0.0023697 k( 302) = ( -0.2907751 0.7092249 0.3333333), wk = 0.0023697 k( 303) = ( -0.2907751 0.7092249 0.3452381), wk = 0.0023697 k( 304) = ( -0.2907751 0.7092249 0.3571429), wk = 0.0023697 k( 305) = ( -0.2907751 0.7092249 0.3690476), wk = 0.0023697 k( 306) = ( -0.2907751 0.7092249 0.3809524), wk = 0.0023697 k( 307) = ( -0.2907751 0.7092249 0.3928571), wk = 0.0023697 k( 308) = ( -0.2907751 0.7092249 0.4047619), wk = 0.0023697 k( 309) = ( -0.2907751 0.7092249 0.4166667), wk = 0.0023697 k( 310) = ( -0.2907751 0.7092249 0.4285714), wk = 0.0023697 k( 311) = ( -0.2907751 0.7092249 0.4404762), wk = 0.0023697 k( 312) = ( -0.2907751 0.7092249 0.4523810), wk = 0.0023697 k( 313) = ( -0.2907751 0.7092249 0.4642857), wk = 0.0023697 k( 314) = ( -0.2907751 0.7092249 0.4761905), wk = 0.0023697 k( 315) = ( -0.2907751 0.7092249 0.4880952), wk = 0.0023697 k( 316) = ( -0.2907751 0.7092249 0.5000000), wk = 0.0023697 k( 317) = ( -0.2907751 0.7092249 0.5000000), wk = 0.0023697 k( 318) = ( -0.2975243 0.7024757 0.5000000), wk = 0.0023697 k( 319) = ( -0.3042735 0.6957265 0.5000000), wk = 0.0023697 k( 320) = ( -0.3110227 0.6889773 0.5000000), wk = 0.0023697 k( 321) = ( -0.3177719 0.6822281 0.5000000), wk = 0.0023697 k( 322) = ( -0.3245211 0.6754789 0.5000000), wk = 0.0023697 k( 323) = ( -0.3312703 0.6687297 0.5000000), wk = 0.0023697 k( 324) = ( -0.3380195 0.6619805 0.5000000), wk = 0.0023697 k( 325) = ( -0.3447687 0.6552313 0.5000000), wk = 0.0023697 k( 326) = ( -0.3515178 0.6484822 0.5000000), wk = 0.0023697 k( 327) = ( -0.3582670 0.6417330 0.5000000), wk = 0.0023697 k( 328) = ( -0.3650162 0.6349838 0.5000000), wk = 0.0023697 k( 329) = ( -0.3717654 0.6282346 0.5000000), wk = 0.0023697 k( 330) = ( -0.3785146 0.6214854 0.5000000), wk = 0.0023697 k( 331) = ( -0.3852638 0.6147362 0.5000000), wk = 0.0023697 k( 332) = ( -0.3920130 0.6079870 0.5000000), wk = 0.0023697 k( 333) = ( -0.3987622 0.6012378 0.5000000), wk = 0.0023697 k( 334) = ( -0.4055113 0.5944886 0.5000000), wk = 0.0023697 k( 335) = ( -0.4122605 0.5877395 0.5000000), wk = 0.0023697 k( 336) = ( -0.4190097 0.5809903 0.5000000), wk = 0.0023697 k( 337) = ( -0.4257589 0.5742411 0.5000000), wk = 0.0023697 k( 338) = ( -0.4325081 0.5674919 0.5000000), wk = 0.0023697 k( 339) = ( -0.4392573 0.5607427 0.5000000), wk = 0.0023697 k( 340) = ( -0.4460065 0.5539935 0.5000000), wk = 0.0023697 k( 341) = ( -0.4527557 0.5472443 0.5000000), wk = 0.0023697 k( 342) = ( -0.4595049 0.5404951 0.5000000), wk = 0.0023697 k( 343) = ( -0.4662541 0.5337459 0.5000000), wk = 0.0023697 k( 344) = ( -0.4730032 0.5269968 0.5000000), wk = 0.0023697 k( 345) = ( -0.4797524 0.5202476 0.5000000), wk = 0.0023697 k( 346) = ( -0.4865016 0.5134984 0.5000000), wk = 0.0023697 k( 347) = ( -0.4932508 0.5067492 0.5000000), wk = 0.0023697 k( 348) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 349) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 350) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0023697 k( 351) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0023697 k( 352) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0023697 k( 353) = ( -0.5000000 0.5000000 0.4523809), wk = 0.0023697 k( 354) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0023697 k( 355) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0023697 k( 356) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0023697 k( 357) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0023697 k( 358) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0023697 k( 359) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0023697 k( 360) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0023697 k( 361) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0023697 k( 362) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0023697 k( 363) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0023697 k( 364) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0023697 k( 365) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0023697 k( 366) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0023697 k( 367) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0023697 k( 368) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0023697 k( 369) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0023697 k( 370) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023697 k( 371) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0023697 k( 372) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0023697 k( 373) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0023697 k( 374) = ( -0.5000000 0.5000000 0.2023809), wk = 0.0023697 k( 375) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0023697 k( 376) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0023697 k( 377) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0023697 k( 378) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0023697 k( 379) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0023697 k( 380) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0023697 k( 381) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0023697 k( 382) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0023697 k( 383) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0023697 k( 384) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0023697 k( 385) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0023697 k( 386) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0023697 k( 387) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0023697 k( 388) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0023697 k( 389) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0023697 k( 390) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0023697 k( 391) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 393) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0023697 k( 394) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0023697 k( 395) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0023697 k( 396) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0023697 k( 397) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0023697 k( 398) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0023697 k( 399) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0023697 k( 400) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0023697 k( 401) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0023697 k( 402) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0023697 k( 403) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0023697 k( 404) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0023697 k( 405) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0023697 k( 406) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0023697 k( 407) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023697 k( 408) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0023697 k( 409) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0023697 k( 410) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0023697 k( 411) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0023697 k( 412) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0023697 k( 413) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0023697 k( 414) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0023697 k( 415) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0023697 k( 416) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0023697 k( 417) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0023697 k( 418) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0023697 k( 419) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0023697 k( 420) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0023697 k( 421) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0023697 k( 422) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 40403 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 22723 G-vectors FFT dimensions: ( 45, 45, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 164, 38) NL pseudopotentials 0.17 Mb ( 82, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1124) G-vector shells 0.00 Mb ( 585) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 164, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.16 Mb ( 136, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YSi.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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 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 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.7 secs Computing kpt #: 24 total cpu time spent up to now is 9.0 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.5 secs Computing kpt #: 27 total cpu time spent up to now is 9.7 secs Computing kpt #: 28 total cpu time spent up to now is 10.0 secs Computing kpt #: 29 total cpu time spent up to now is 10.3 secs Computing kpt #: 30 total cpu time spent up to now is 10.6 secs Computing kpt #: 31 total cpu time spent up to now is 10.9 secs Computing kpt #: 32 total cpu time spent up to now is 11.2 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.0 secs Computing kpt #: 36 total cpu time spent up to now is 12.2 secs Computing kpt #: 37 total cpu time spent up to now is 12.5 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 13.0 secs Computing kpt #: 40 total cpu time spent up to now is 13.2 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.4 secs Computing kpt #: 46 total cpu time spent up to now is 14.7 secs Computing kpt #: 47 total cpu time spent up to now is 14.9 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.4 secs Computing kpt #: 50 total cpu time spent up to now is 15.7 secs Computing kpt #: 51 total cpu time spent up to now is 16.0 secs Computing kpt #: 52 total cpu time spent up to now is 16.2 secs Computing kpt #: 53 total cpu time spent up to now is 16.5 secs Computing kpt #: 54 total cpu time spent up to now is 16.8 secs Computing kpt #: 55 total cpu time spent up to now is 17.1 secs Computing kpt #: 56 total cpu time spent up to now is 17.4 secs Computing kpt #: 57 total cpu time spent up to now is 17.7 secs Computing kpt #: 58 total cpu time spent up to now is 18.0 secs Computing kpt #: 59 total cpu time spent up to now is 18.3 secs Computing kpt #: 60 total cpu time spent up to now is 18.6 secs Computing kpt #: 61 total cpu time spent up to now is 18.9 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.5 secs Computing kpt #: 64 total cpu time spent up to now is 19.7 secs Computing kpt #: 65 total cpu time spent up to now is 20.0 secs Computing kpt #: 66 total cpu time spent up to now is 20.3 secs Computing kpt #: 67 total cpu time spent up to now is 20.6 secs Computing kpt #: 68 total cpu time spent up to now is 20.8 secs Computing kpt #: 69 total cpu time spent up to now is 21.1 secs Computing kpt #: 70 total cpu time spent up to now is 21.4 secs Computing kpt #: 71 total cpu time spent up to now is 21.7 secs Computing kpt #: 72 total cpu time spent up to now is 22.0 secs Computing kpt #: 73 total cpu time spent up to now is 22.2 secs Computing kpt #: 74 total cpu time spent up to now is 22.5 secs Computing kpt #: 75 total cpu time spent up to now is 22.8 secs Computing kpt #: 76 total cpu time spent up to now is 23.1 secs Computing kpt #: 77 total cpu time spent up to now is 23.4 secs Computing kpt #: 78 total cpu time spent up to now is 23.6 secs Computing kpt #: 79 total cpu time spent up to now is 23.9 secs Computing kpt #: 80 total cpu time spent up to now is 24.2 secs Computing kpt #: 81 total cpu time spent up to now is 24.5 secs Computing kpt #: 82 total cpu time spent up to now is 24.8 secs Computing kpt #: 83 total cpu time spent up to now is 25.1 secs Computing kpt #: 84 total cpu time spent up to now is 25.3 secs Computing kpt #: 85 total cpu time spent up to now is 25.6 secs Computing kpt #: 86 total cpu time spent up to now is 25.9 secs Computing kpt #: 87 total cpu time spent up to now is 26.2 secs Computing kpt #: 88 total cpu time spent up to now is 26.5 secs Computing kpt #: 89 total cpu time spent up to now is 26.8 secs Computing kpt #: 90 total cpu time spent up to now is 27.1 secs Computing kpt #: 91 total cpu time spent up to now is 27.4 secs Computing kpt #: 92 total cpu time spent up to now is 27.8 secs Computing kpt #: 93 total cpu time spent up to now is 28.1 secs Computing kpt #: 94 total cpu time spent up to now is 28.4 secs Computing kpt #: 95 total cpu time spent up to now is 28.7 secs Computing kpt #: 96 total cpu time spent up to now is 29.0 secs Computing kpt #: 97 total cpu time spent up to now is 29.3 secs Computing kpt #: 98 total cpu time spent up to now is 29.6 secs Computing kpt #: 99 total cpu time spent up to now is 29.9 secs Computing kpt #: 100 total cpu time spent up to now is 30.2 secs Computing kpt #: 101 total cpu time spent up to now is 30.5 secs Computing kpt #: 102 total cpu time spent up to now is 30.8 secs Computing kpt #: 103 total cpu time spent up to now is 31.2 secs Computing kpt #: 104 total cpu time spent up to now is 31.5 secs Computing kpt #: 105 total cpu time spent up to now is 31.8 secs Computing kpt #: 106 total cpu time spent up to now is 32.1 secs Computing kpt #: 107 total cpu time spent up to now is 32.4 secs Computing kpt #: 108 total cpu time spent up to now is 32.9 secs Computing kpt #: 109 total cpu time spent up to now is 33.3 secs Computing kpt #: 110 total cpu time spent up to now is 33.6 secs Computing kpt #: 111 total cpu time spent up to now is 33.9 secs Computing kpt #: 112 total cpu time spent up to now is 34.3 secs Computing kpt #: 113 total cpu time spent up to now is 34.6 secs Computing kpt #: 114 total cpu time spent up to now is 34.9 secs Computing kpt #: 115 total cpu time spent up to now is 35.3 secs Computing kpt #: 116 total cpu time spent up to now is 35.6 secs Computing kpt #: 117 total cpu time spent up to now is 36.0 secs Computing kpt #: 118 total cpu time spent up to now is 36.3 secs Computing kpt #: 119 total cpu time spent up to now is 36.6 secs Computing kpt #: 120 total cpu time spent up to now is 37.0 secs Computing kpt #: 121 total cpu time spent up to now is 37.3 secs Computing kpt #: 122 total cpu time spent up to now is 37.6 secs Computing kpt #: 123 total cpu time spent up to now is 37.9 secs Computing kpt #: 124 total cpu time spent up to now is 38.2 secs Computing kpt #: 125 total cpu time spent up to now is 38.6 secs Computing kpt #: 126 total cpu time spent up to now is 38.9 secs Computing kpt #: 127 total cpu time spent up to now is 39.2 secs Computing kpt #: 128 total cpu time spent up to now is 39.5 secs Computing kpt #: 129 total cpu time spent up to now is 39.8 secs Computing kpt #: 130 total cpu time spent up to now is 40.1 secs Computing kpt #: 131 total cpu time spent up to now is 40.4 secs Computing kpt #: 132 total cpu time spent up to now is 40.7 secs Computing kpt #: 133 total cpu time spent up to now is 41.1 secs Computing kpt #: 134 total cpu time spent up to now is 41.4 secs Computing kpt #: 135 total cpu time spent up to now is 41.7 secs Computing kpt #: 136 total cpu time spent up to now is 42.0 secs Computing kpt #: 137 total cpu time spent up to now is 42.3 secs Computing kpt #: 138 total cpu time spent up to now is 42.7 secs Computing kpt #: 139 total cpu time spent up to now is 43.0 secs Computing kpt #: 140 total cpu time spent up to now is 43.4 secs Computing kpt #: 141 total cpu time spent up to now is 43.7 secs Computing kpt #: 142 total cpu time spent up to now is 44.0 secs Computing kpt #: 143 total cpu time spent up to now is 44.4 secs Computing kpt #: 144 total cpu time spent up to now is 44.7 secs Computing kpt #: 145 total cpu time spent up to now is 45.1 secs Computing kpt #: 146 total cpu time spent up to now is 45.4 secs Computing kpt #: 147 total cpu time spent up to now is 45.7 secs Computing kpt #: 148 total cpu time spent up to now is 46.1 secs Computing kpt #: 149 total cpu time spent up to now is 46.4 secs Computing kpt #: 150 total cpu time spent up to now is 46.7 secs Computing kpt #: 151 total cpu time spent up to now is 47.1 secs Computing kpt #: 152 total cpu time spent up to now is 47.4 secs Computing kpt #: 153 total cpu time spent up to now is 47.7 secs Computing kpt #: 154 total cpu time spent up to now is 48.0 secs Computing kpt #: 155 total cpu time spent up to now is 48.4 secs Computing kpt #: 156 total cpu time spent up to now is 48.7 secs Computing kpt #: 157 total cpu time spent up to now is 49.1 secs Computing kpt #: 158 total cpu time spent up to now is 49.4 secs Computing kpt #: 159 total cpu time spent up to now is 49.7 secs Computing kpt #: 160 total cpu time spent up to now is 50.1 secs Computing kpt #: 161 total cpu time spent up to now is 50.4 secs Computing kpt #: 162 total cpu time spent up to now is 50.8 secs Computing kpt #: 163 total cpu time spent up to now is 51.1 secs Computing kpt #: 164 total cpu time spent up to now is 51.4 secs Computing kpt #: 165 total cpu time spent up to now is 51.8 secs Computing kpt #: 166 total cpu time spent up to now is 52.1 secs Computing kpt #: 167 total cpu time spent up to now is 52.4 secs Computing kpt #: 168 total cpu time spent up to now is 52.7 secs Computing kpt #: 169 total cpu time spent up to now is 53.0 secs Computing kpt #: 170 total cpu time spent up to now is 53.3 secs Computing kpt #: 171 total cpu time spent up to now is 53.6 secs Computing kpt #: 172 total cpu time spent up to now is 54.0 secs Computing kpt #: 173 total cpu time spent up to now is 54.3 secs Computing kpt #: 174 total cpu time spent up to now is 54.6 secs Computing kpt #: 175 total cpu time spent up to now is 54.9 secs Computing kpt #: 176 total cpu time spent up to now is 55.2 secs Computing kpt #: 177 total cpu time spent up to now is 55.5 secs Computing kpt #: 178 total cpu time spent up to now is 55.8 secs Computing kpt #: 179 total cpu time spent up to now is 56.1 secs Computing kpt #: 180 total cpu time spent up to now is 56.3 secs Computing kpt #: 181 total cpu time spent up to now is 56.6 secs Computing kpt #: 182 total cpu time spent up to now is 56.9 secs Computing kpt #: 183 total cpu time spent up to now is 57.1 secs Computing kpt #: 184 total cpu time spent up to now is 57.4 secs Computing kpt #: 185 total cpu time spent up to now is 57.6 secs Computing kpt #: 186 total cpu time spent up to now is 57.9 secs Computing kpt #: 187 total cpu time spent up to now is 58.1 secs Computing kpt #: 188 total cpu time spent up to now is 58.4 secs Computing kpt #: 189 total cpu time spent up to now is 58.6 secs Computing kpt #: 190 total cpu time spent up to now is 58.9 secs Computing kpt #: 191 total cpu time spent up to now is 59.1 secs Computing kpt #: 192 total cpu time spent up to now is 59.4 secs Computing kpt #: 193 total cpu time spent up to now is 59.6 secs Computing kpt #: 194 total cpu time spent up to now is 59.9 secs Computing kpt #: 195 total cpu time spent up to now is 60.1 secs Computing kpt #: 196 total cpu time spent up to now is 60.4 secs Computing kpt #: 197 total cpu time spent up to now is 60.8 secs Computing kpt #: 198 total cpu time spent up to now is 61.1 secs Computing kpt #: 199 total cpu time spent up to now is 61.5 secs Computing kpt #: 200 total cpu time spent up to now is 61.9 secs Computing kpt #: 201 total cpu time spent up to now is 62.2 secs Computing kpt #: 202 total cpu time spent up to now is 62.5 secs Computing kpt #: 203 total cpu time spent up to now is 62.9 secs Computing kpt #: 204 total cpu time spent up to now is 63.2 secs Computing kpt #: 205 total cpu time spent up to now is 63.5 secs Computing kpt #: 206 total cpu time spent up to now is 63.8 secs Computing kpt #: 207 total cpu time spent up to now is 64.2 secs Computing kpt #: 208 total cpu time spent up to now is 64.5 secs Computing kpt #: 209 total cpu time spent up to now is 64.8 secs Computing kpt #: 210 total cpu time spent up to now is 65.2 secs Computing kpt #: 211 total cpu time spent up to now is 65.5 secs Computing kpt #: 212 total cpu time spent up to now is 65.8 secs Computing kpt #: 213 total cpu time spent up to now is 66.1 secs Computing kpt #: 214 total cpu time spent up to now is 66.5 secs Computing kpt #: 215 total cpu time spent up to now is 66.8 secs Computing kpt #: 216 total cpu time spent up to now is 67.1 secs Computing kpt #: 217 total cpu time spent up to now is 67.4 secs Computing kpt #: 218 total cpu time spent up to now is 67.7 secs Computing kpt #: 219 total cpu time spent up to now is 68.0 secs Computing kpt #: 220 total cpu time spent up to now is 68.2 secs Computing kpt #: 221 total cpu time spent up to now is 68.5 secs Computing kpt #: 222 total cpu time spent up to now is 68.8 secs Computing kpt #: 223 total cpu time spent up to now is 69.0 secs Computing kpt #: 224 total cpu time spent up to now is 69.3 secs Computing kpt #: 225 total cpu time spent up to now is 69.6 secs Computing kpt #: 226 total cpu time spent up to now is 69.8 secs Computing kpt #: 227 total cpu time spent up to now is 70.1 secs Computing kpt #: 228 total cpu time spent up to now is 70.3 secs Computing kpt #: 229 total cpu time spent up to now is 70.6 secs Computing kpt #: 230 total cpu time spent up to now is 71.0 secs Computing kpt #: 231 total cpu time spent up to now is 71.2 secs Computing kpt #: 232 total cpu time spent up to now is 71.5 secs Computing kpt #: 233 total cpu time spent up to now is 71.8 secs Computing kpt #: 234 total cpu time spent up to now is 72.1 secs Computing kpt #: 235 total cpu time spent up to now is 72.4 secs Computing kpt #: 236 total cpu time spent up to now is 72.8 secs Computing kpt #: 237 total cpu time spent up to now is 73.1 secs Computing kpt #: 238 total cpu time spent up to now is 73.4 secs Computing kpt #: 239 total cpu time spent up to now is 73.7 secs Computing kpt #: 240 total cpu time spent up to now is 73.9 secs Computing kpt #: 241 total cpu time spent up to now is 74.2 secs Computing kpt #: 242 total cpu time spent up to now is 74.5 secs Computing kpt #: 243 total cpu time spent up to now is 74.8 secs Computing kpt #: 244 total cpu time spent up to now is 75.1 secs Computing kpt #: 245 total cpu time spent up to now is 75.4 secs Computing kpt #: 246 total cpu time spent up to now is 75.8 secs Computing kpt #: 247 total cpu time spent up to now is 76.1 secs Computing kpt #: 248 total cpu time spent up to now is 76.4 secs Computing kpt #: 249 total cpu time spent up to now is 76.7 secs Computing kpt #: 250 total cpu time spent up to now is 77.0 secs Computing kpt #: 251 total cpu time spent up to now is 77.3 secs Computing kpt #: 252 total cpu time spent up to now is 77.5 secs Computing kpt #: 253 total cpu time spent up to now is 77.8 secs Computing kpt #: 254 total cpu time spent up to now is 78.1 secs Computing kpt #: 255 total cpu time spent up to now is 78.3 secs Computing kpt #: 256 total cpu time spent up to now is 78.6 secs Computing kpt #: 257 total cpu time spent up to now is 78.9 secs Computing kpt #: 258 total cpu time spent up to now is 79.2 secs Computing kpt #: 259 total cpu time spent up to now is 79.4 secs Computing kpt #: 260 total cpu time spent up to now is 79.7 secs Computing kpt #: 261 total cpu time spent up to now is 80.0 secs Computing kpt #: 262 total cpu time spent up to now is 80.2 secs Computing kpt #: 263 total cpu time spent up to now is 80.5 secs Computing kpt #: 264 total cpu time spent up to now is 80.8 secs Computing kpt #: 265 total cpu time spent up to now is 81.0 secs Computing kpt #: 266 total cpu time spent up to now is 81.3 secs Computing kpt #: 267 total cpu time spent up to now is 81.7 secs Computing kpt #: 268 total cpu time spent up to now is 82.0 secs Computing kpt #: 269 total cpu time spent up to now is 82.3 secs Computing kpt #: 270 total cpu time spent up to now is 82.6 secs Computing kpt #: 271 total cpu time spent up to now is 82.9 secs Computing kpt #: 272 total cpu time spent up to now is 83.1 secs Computing kpt #: 273 total cpu time spent up to now is 83.4 secs Computing kpt #: 274 total cpu time spent up to now is 83.6 secs Computing kpt #: 275 total cpu time spent up to now is 83.9 secs Computing kpt #: 276 total cpu time spent up to now is 84.1 secs Computing kpt #: 277 total cpu time spent up to now is 84.4 secs Computing kpt #: 278 total cpu time spent up to now is 84.6 secs Computing kpt #: 279 total cpu time spent up to now is 85.0 secs Computing kpt #: 280 total cpu time spent up to now is 85.3 secs Computing kpt #: 281 total cpu time spent up to now is 85.6 secs Computing kpt #: 282 total cpu time spent up to now is 85.9 secs Computing kpt #: 283 total cpu time spent up to now is 86.2 secs Computing kpt #: 284 total cpu time spent up to now is 86.5 secs Computing kpt #: 285 total cpu time spent up to now is 86.8 secs Computing kpt #: 286 total cpu time spent up to now is 87.1 secs Computing kpt #: 287 total cpu time spent up to now is 87.3 secs Computing kpt #: 288 total cpu time spent up to now is 87.6 secs Computing kpt #: 289 total cpu time spent up to now is 87.9 secs Computing kpt #: 290 total cpu time spent up to now is 88.1 secs Computing kpt #: 291 total cpu time spent up to now is 88.4 secs Computing kpt #: 292 total cpu time spent up to now is 88.7 secs Computing kpt #: 293 total cpu time spent up to now is 89.0 secs Computing kpt #: 294 total cpu time spent up to now is 89.3 secs Computing kpt #: 295 total cpu time spent up to now is 89.5 secs Computing kpt #: 296 total cpu time spent up to now is 89.8 secs Computing kpt #: 297 total cpu time spent up to now is 90.1 secs Computing kpt #: 298 total cpu time spent up to now is 90.4 secs Computing kpt #: 299 total cpu time spent up to now is 90.7 secs Computing kpt #: 300 total cpu time spent up to now is 91.0 secs Computing kpt #: 301 total cpu time spent up to now is 91.3 secs Computing kpt #: 302 total cpu time spent up to now is 91.7 secs Computing kpt #: 303 total cpu time spent up to now is 92.0 secs Computing kpt #: 304 total cpu time spent up to now is 92.3 secs Computing kpt #: 305 total cpu time spent up to now is 92.6 secs Computing kpt #: 306 total cpu time spent up to now is 93.0 secs Computing kpt #: 307 total cpu time spent up to now is 93.3 secs Computing kpt #: 308 total cpu time spent up to now is 93.6 secs Computing kpt #: 309 total cpu time spent up to now is 93.9 secs Computing kpt #: 310 total cpu time spent up to now is 94.2 secs Computing kpt #: 311 total cpu time spent up to now is 94.6 secs Computing kpt #: 312 total cpu time spent up to now is 94.9 secs Computing kpt #: 313 total cpu time spent up to now is 95.2 secs Computing kpt #: 314 total cpu time spent up to now is 95.5 secs Computing kpt #: 315 total cpu time spent up to now is 95.9 secs Computing kpt #: 316 total cpu time spent up to now is 96.2 secs Computing kpt #: 317 total cpu time spent up to now is 96.5 secs Computing kpt #: 318 total cpu time spent up to now is 96.8 secs Computing kpt #: 319 total cpu time spent up to now is 97.2 secs Computing kpt #: 320 total cpu time spent up to now is 97.5 secs Computing kpt #: 321 total cpu time spent up to now is 97.9 secs Computing kpt #: 322 total cpu time spent up to now is 98.4 secs Computing kpt #: 323 total cpu time spent up to now is 99.0 secs Computing kpt #: 324 total cpu time spent up to now is 99.3 secs Computing kpt #: 325 total cpu time spent up to now is 99.6 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.5 secs Computing kpt #: 327 total cpu time spent up to now is 101.3 secs Computing kpt #: 328 total cpu time spent up to now is 101.9 secs Computing kpt #: 329 total cpu time spent up to now is 102.3 secs Computing kpt #: 330 total cpu time spent up to now is 102.8 secs Computing kpt #: 331 total cpu time spent up to now is 103.2 secs Computing kpt #: 332 total cpu time spent up to now is 103.6 secs Computing kpt #: 333 total cpu time spent up to now is 103.9 secs Computing kpt #: 334 total cpu time spent up to now is 104.2 secs Computing kpt #: 335 total cpu time spent up to now is 104.6 secs Computing kpt #: 336 total cpu time spent up to now is 104.9 secs Computing kpt #: 337 total cpu time spent up to now is 105.2 secs Computing kpt #: 338 total cpu time spent up to now is 105.5 secs Computing kpt #: 339 total cpu time spent up to now is 105.8 secs Computing kpt #: 340 total cpu time spent up to now is 106.1 secs Computing kpt #: 341 total cpu time spent up to now is 106.4 secs Computing kpt #: 342 total cpu time spent up to now is 106.8 secs Computing kpt #: 343 total cpu time spent up to now is 107.1 secs Computing kpt #: 344 total cpu time spent up to now is 107.4 secs Computing kpt #: 345 total cpu time spent up to now is 107.7 secs Computing kpt #: 346 total cpu time spent up to now is 108.0 secs Computing kpt #: 347 total cpu time spent up to now is 108.3 secs Computing kpt #: 348 total cpu time spent up to now is 108.6 secs Computing kpt #: 349 total cpu time spent up to now is 108.8 secs Computing kpt #: 350 total cpu time spent up to now is 109.1 secs Computing kpt #: 351 total cpu time spent up to now is 109.3 secs Computing kpt #: 352 total cpu time spent up to now is 109.6 secs Computing kpt #: 353 total cpu time spent up to now is 109.8 secs Computing kpt #: 354 total cpu time spent up to now is 110.1 secs Computing kpt #: 355 total cpu time spent up to now is 110.3 secs Computing kpt #: 356 total cpu time spent up to now is 110.6 secs Computing kpt #: 357 total cpu time spent up to now is 110.8 secs Computing kpt #: 358 total cpu time spent up to now is 111.1 secs Computing kpt #: 359 total cpu time spent up to now is 111.3 secs Computing kpt #: 360 total cpu time spent up to now is 111.6 secs Computing kpt #: 361 total cpu time spent up to now is 111.9 secs Computing kpt #: 362 total cpu time spent up to now is 112.1 secs Computing kpt #: 363 total cpu time spent up to now is 112.4 secs Computing kpt #: 364 total cpu time spent up to now is 112.7 secs Computing kpt #: 365 total cpu time spent up to now is 113.0 secs Computing kpt #: 366 total cpu time spent up to now is 113.3 secs Computing kpt #: 367 total cpu time spent up to now is 113.6 secs Computing kpt #: 368 total cpu time spent up to now is 113.8 secs Computing kpt #: 369 total cpu time spent up to now is 114.0 secs Computing kpt #: 370 total cpu time spent up to now is 114.3 secs Computing kpt #: 371 total cpu time spent up to now is 114.5 secs Computing kpt #: 372 total cpu time spent up to now is 114.8 secs Computing kpt #: 373 total cpu time spent up to now is 115.0 secs Computing kpt #: 374 total cpu time spent up to now is 115.3 secs Computing kpt #: 375 total cpu time spent up to now is 115.5 secs Computing kpt #: 376 total cpu time spent up to now is 115.8 secs Computing kpt #: 377 total cpu time spent up to now is 116.0 secs Computing kpt #: 378 total cpu time spent up to now is 116.2 secs Computing kpt #: 379 total cpu time spent up to now is 116.5 secs Computing kpt #: 380 total cpu time spent up to now is 116.7 secs Computing kpt #: 381 total cpu time spent up to now is 117.0 secs Computing kpt #: 382 total cpu time spent up to now is 117.3 secs Computing kpt #: 383 total cpu time spent up to now is 117.6 secs Computing kpt #: 384 total cpu time spent up to now is 117.8 secs Computing kpt #: 385 total cpu time spent up to now is 118.1 secs Computing kpt #: 386 total cpu time spent up to now is 118.4 secs Computing kpt #: 387 total cpu time spent up to now is 118.7 secs Computing kpt #: 388 total cpu time spent up to now is 119.0 secs Computing kpt #: 389 total cpu time spent up to now is 119.3 secs Computing kpt #: 390 total cpu time spent up to now is 119.6 secs Computing kpt #: 391 total cpu time spent up to now is 120.0 secs Computing kpt #: 392 total cpu time spent up to now is 120.2 secs Computing kpt #: 393 total cpu time spent up to now is 120.5 secs Computing kpt #: 394 total cpu time spent up to now is 120.8 secs Computing kpt #: 395 total cpu time spent up to now is 121.1 secs Computing kpt #: 396 total cpu time spent up to now is 121.4 secs Computing kpt #: 397 total cpu time spent up to now is 121.7 secs Computing kpt #: 398 total cpu time spent up to now is 122.0 secs Computing kpt #: 399 total cpu time spent up to now is 122.4 secs Computing kpt #: 400 total cpu time spent up to now is 122.7 secs Computing kpt #: 401 total cpu time spent up to now is 123.0 secs Computing kpt #: 402 total cpu time spent up to now is 123.2 secs Computing kpt #: 403 total cpu time spent up to now is 123.5 secs Computing kpt #: 404 total cpu time spent up to now is 123.8 secs Computing kpt #: 405 total cpu time spent up to now is 124.0 secs Computing kpt #: 406 total cpu time spent up to now is 124.3 secs Computing kpt #: 407 total cpu time spent up to now is 124.5 secs Computing kpt #: 408 total cpu time spent up to now is 124.8 secs Computing kpt #: 409 total cpu time spent up to now is 125.0 secs Computing kpt #: 410 total cpu time spent up to now is 125.3 secs Computing kpt #: 411 total cpu time spent up to now is 125.5 secs Computing kpt #: 412 total cpu time spent up to now is 125.8 secs Computing kpt #: 413 total cpu time spent up to now is 126.0 secs Computing kpt #: 414 total cpu time spent up to now is 126.2 secs Computing kpt #: 415 total cpu time spent up to now is 126.5 secs Computing kpt #: 416 total cpu time spent up to now is 126.7 secs Computing kpt #: 417 total cpu time spent up to now is 127.0 secs Computing kpt #: 418 total cpu time spent up to now is 127.2 secs Computing kpt #: 419 total cpu time spent up to now is 127.5 secs Computing kpt #: 420 total cpu time spent up to now is 127.7 secs Computing kpt #: 421 total cpu time spent up to now is 128.0 secs Computing kpt #: 422 total cpu time spent up to now is 128.2 secs ethr = 3.33E-08, avg # of iterations = 21.2 total cpu time spent up to now is 128.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2855 PWs) bands (ev): -31.4141 -31.4141 -31.3506 -31.3506 -12.5030 -12.5030 -12.2954 -12.2954 -11.1567 -11.1567 -11.0092 -11.0092 -10.8897 -10.8897 -10.7915 -10.7915 -0.1480 -0.1480 5.2102 5.2102 8.0011 8.0011 8.1275 8.1275 8.1656 8.1656 9.2443 9.2443 11.0684 11.0684 11.9732 11.9732 12.8042 12.8042 13.4865 13.4865 13.5560 13.5560 k = 0.0068 0.0167-0.0000 ( 2863 PWs) bands (ev): -31.4141 -31.4141 -31.3507 -31.3507 -12.5030 -12.5030 -12.2955 -12.2955 -11.1566 -11.1566 -11.0092 -11.0092 -10.8898 -10.8898 -10.7916 -10.7916 -0.1470 -0.1470 5.2116 5.2116 7.9496 7.9496 8.1600 8.1600 8.1829 8.1829 9.2454 9.2454 11.0717 11.0717 11.9629 11.9629 12.7927 12.7927 13.4652 13.4652 13.5715 13.5715 k = 0.0135 0.0335-0.0000 ( 2861 PWs) bands (ev): -31.4140 -31.4140 -31.3507 -31.3507 -12.5029 -12.5029 -12.2959 -12.2959 -11.1565 -11.1565 -11.0094 -11.0094 -10.8903 -10.8903 -10.7916 -10.7916 -0.1439 -0.1439 5.2158 5.2158 7.8617 7.8617 8.1613 8.1613 8.2646 8.2646 9.2487 9.2487 11.0817 11.0817 11.9330 11.9330 12.7610 12.7610 13.4101 13.4101 13.6148 13.6148 k = 0.0203 0.0502-0.0000 ( 2865 PWs) bands (ev): -31.4139 -31.4139 -31.3508 -31.3508 -12.5027 -12.5027 -12.2966 -12.2966 -11.1563 -11.1563 -11.0095 -11.0095 -10.8910 -10.8910 -10.7917 -10.7917 -0.1388 -0.1388 5.2227 5.2227 7.7677 7.7677 8.1594 8.1594 8.3522 8.3522 9.2542 9.2542 11.0984 11.0984 11.8855 11.8855 12.7146 12.7146 13.3357 13.3357 13.6802 13.6802 k = 0.0270 0.0670-0.0000 ( 2861 PWs) bands (ev): -31.4137 -31.4137 -31.3509 -31.3509 -12.5026 -12.5026 -12.2974 -12.2974 -11.1561 -11.1561 -11.0098 -11.0098 -10.8920 -10.8920 -10.7918 -10.7918 -0.1317 -0.1317 5.2323 5.2323 7.6720 7.6720 8.1565 8.1565 8.4393 8.4393 9.2618 9.2618 11.1217 11.1217 11.8235 11.8235 12.6596 12.6596 13.2519 13.2519 13.7618 13.7618 k = 0.0338 0.0837-0.0000 ( 2865 PWs) bands (ev): -31.4135 -31.4135 -31.3510 -31.3510 -12.5023 -12.5023 -12.2986 -12.2986 -11.1557 -11.1557 -11.0102 -11.0102 -10.8932 -10.8932 -10.7920 -10.7920 -0.1226 -0.1226 5.2447 5.2447 7.5757 7.5757 8.1527 8.1527 8.5244 8.5244 9.2712 9.2712 11.1517 11.1517 11.7502 11.7502 12.6001 12.6001 13.1641 13.1641 13.8550 13.8550 k = 0.0406 0.1005-0.0000 ( 2869 PWs) bands (ev): -31.4132 -31.4132 -31.3512 -31.3512 -12.5020 -12.5020 -12.2999 -12.2999 -11.1553 -11.1553 -11.0106 -11.0106 -10.8948 -10.8948 -10.7922 -10.7922 -0.1117 -0.1117 5.2597 5.2597 7.4797 7.4797 8.1481 8.1481 8.6067 8.6067 9.2822 9.2822 11.1883 11.1883 11.6684 11.6684 12.5392 12.5392 13.0748 13.0748 13.9562 13.9562 k = 0.0473 0.1172-0.0000 ( 2877 PWs) bands (ev): -31.4129 -31.4129 -31.3514 -31.3514 -12.5017 -12.5017 -12.3016 -12.3016 -11.1548 -11.1548 -11.0110 -11.0110 -10.8965 -10.8965 -10.7925 -10.7925 -0.0988 -0.0988 5.2774 5.2774 7.3843 7.3843 8.1425 8.1425 8.6858 8.6858 9.2947 9.2947 11.2316 11.2316 11.5809 11.5809 12.4787 12.4787 12.9858 12.9858 14.0391 14.0391 k = 0.0541 0.1340-0.0000 ( 2877 PWs) bands (ev): -31.4126 -31.4126 -31.3516 -31.3516 -12.5012 -12.5012 -12.3034 -12.3034 -11.1543 -11.1543 -11.0116 -11.0116 -10.8985 -10.8985 -10.7928 -10.7928 -0.0842 -0.0842 5.2976 5.2976 7.2899 7.2899 8.1362 8.1362 8.7614 8.7614 9.3080 9.3080 11.2814 11.2814 11.4897 11.4897 12.4201 12.4201 12.8979 12.8979 13.9995 13.9995 k = 0.0609 0.1507-0.0000 ( 2869 PWs) bands (ev): -31.4122 -31.4122 -31.3518 -31.3518 -12.5008 -12.5008 -12.3054 -12.3054 -11.1537 -11.1537 -11.0122 -11.0122 -10.9007 -10.9007 -10.7931 -10.7931 -0.0679 -0.0679 5.3203 5.3203 7.1968 7.1968 8.1290 8.1290 8.8330 8.8330 9.3220 9.3220 11.3370 11.3370 11.3976 11.3976 12.3642 12.3642 12.8118 12.8118 13.9470 13.9470 k = 0.0676 0.1674-0.0000 ( 2867 PWs) bands (ev): -31.4117 -31.4117 -31.3521 -31.3521 -12.5002 -12.5002 -12.3077 -12.3077 -11.1530 -11.1530 -11.0129 -11.0129 -10.9030 -10.9030 -10.7935 -10.7935 -0.0500 -0.0500 5.3455 5.3455 7.1053 7.1053 8.1209 8.1209 8.9006 8.9006 9.3358 9.3358 11.3026 11.3026 11.4016 11.4016 12.3115 12.3115 12.7277 12.7277 13.8883 13.8883 k = 0.0744 0.1842-0.0000 ( 2863 PWs) bands (ev): -31.4112 -31.4112 -31.3524 -31.3524 -12.4996 -12.4996 -12.3102 -12.3102 -11.1522 -11.1522 -11.0137 -11.0137 -10.9055 -10.9055 -10.7940 -10.7940 -0.0306 -0.0306 5.3730 5.3730 7.0157 7.0157 8.1120 8.1120 8.9640 8.9640 9.3489 9.3489 11.2114 11.2114 11.4700 11.4700 12.2625 12.2625 12.6460 12.6460 13.8239 13.8239 k = 0.0811 0.2009-0.0000 ( 2869 PWs) bands (ev): -31.4107 -31.4107 -31.3527 -31.3527 -12.4990 -12.4990 -12.3128 -12.3128 -11.1514 -11.1514 -11.0145 -11.0145 -10.9080 -10.9080 -10.7945 -10.7945 -0.0099 -0.0099 5.4027 5.4027 6.9282 6.9282 8.1023 8.1023 9.0231 9.0231 9.3604 9.3604 11.1229 11.1229 11.5445 11.5445 12.2175 12.2175 12.5669 12.5669 13.7545 13.7545 k = 0.0879 0.2177-0.0000 ( 2869 PWs) bands (ev): -31.4101 -31.4101 -31.3531 -31.3531 -12.4983 -12.4983 -12.3157 -12.3157 -11.1506 -11.1506 -11.0154 -11.0154 -10.9107 -10.9107 -10.7951 -10.7951 0.0122 0.0122 5.4346 5.4346 6.8431 6.8431 8.0919 8.0919 9.0780 9.0780 9.3693 9.3693 11.0388 11.0388 11.6246 11.6246 12.1767 12.1767 12.4906 12.4906 13.6805 13.6805 k = 0.0947 0.2344-0.0000 ( 2871 PWs) bands (ev): -31.4095 -31.4095 -31.3535 -31.3535 -12.4975 -12.4975 -12.3187 -12.3187 -11.1496 -11.1496 -11.0164 -11.0164 -10.9134 -10.9134 -10.7957 -10.7957 0.0353 0.0353 5.4685 5.4685 6.7605 6.7605 8.0807 8.0807 9.1285 9.1285 9.3746 9.3746 10.9607 10.9607 11.7098 11.7098 12.1403 12.1403 12.4172 12.4172 13.6027 13.6027 k = 0.1014 0.2512-0.0000 ( 2865 PWs) bands (ev): -31.4089 -31.4089 -31.3539 -31.3539 -12.4966 -12.4966 -12.3218 -12.3218 -11.1487 -11.1487 -11.0175 -11.0175 -10.9160 -10.9160 -10.7964 -10.7964 0.0594 0.0594 5.5042 5.5042 6.6808 6.6808 8.0688 8.0688 9.1748 9.1748 9.3749 9.3749 10.8902 10.8902 11.7997 11.7997 12.1085 12.1085 12.3468 12.3468 13.5214 13.5214 k = 0.1082 0.2679-0.0000 ( 2861 PWs) bands (ev): -31.4082 -31.4082 -31.3543 -31.3543 -12.4957 -12.4957 -12.3251 -12.3251 -11.1476 -11.1476 -11.0187 -11.0187 -10.9186 -10.9186 -10.7972 -10.7972 0.0843 0.0843 5.5417 5.5417 6.6040 6.6040 8.0563 8.0563 9.2169 9.2169 9.3692 9.3692 10.8287 10.8287 11.8936 11.8936 12.0812 12.0812 12.2797 12.2797 13.4374 13.4374 k = 0.1150 0.2846-0.0000 ( 2851 PWs) bands (ev): -31.4075 -31.4075 -31.3548 -31.3548 -12.4947 -12.4947 -12.3286 -12.3286 -11.1465 -11.1465 -11.0200 -11.0200 -10.9212 -10.9212 -10.7981 -10.7981 0.1099 0.1099 5.5807 5.5807 6.5305 6.5305 8.0432 8.0432 9.2546 9.2546 9.3568 9.3568 10.7775 10.7775 11.9906 11.9906 12.0588 12.0588 12.2162 12.2162 13.3511 13.3511 k = 0.1217 0.3014-0.0000 ( 2859 PWs) bands (ev): -31.4068 -31.4068 -31.3553 -31.3553 -12.4937 -12.4937 -12.3321 -12.3321 -11.1453 -11.1453 -11.0215 -11.0215 -10.9236 -10.9236 -10.7990 -10.7990 0.1360 0.1360 5.6210 5.6210 6.4603 6.4603 8.0296 8.0296 9.2858 9.2858 9.3390 9.3390 10.7377 10.7377 12.0393 12.0393 12.0885 12.0885 12.1600 12.1600 13.2630 13.2630 k = 0.1285 0.3181-0.0000 ( 2859 PWs) bands (ev): -31.4060 -31.4060 -31.3558 -31.3558 -12.4925 -12.4925 -12.3358 -12.3358 -11.1441 -11.1441 -11.0231 -11.0231 -10.9258 -10.9258 -10.8001 -10.8001 0.1624 0.1624 5.6624 5.6624 6.3938 6.3938 8.0155 8.0155 9.2914 9.2914 9.3348 9.3348 10.7098 10.7098 12.0259 12.0259 12.0918 12.0918 12.2028 12.2028 13.1736 13.1736 k = 0.1352 0.3349-0.0000 ( 2855 PWs) bands (ev): -31.4053 -31.4053 -31.3563 -31.3563 -12.4913 -12.4913 -12.3395 -12.3395 -11.1428 -11.1428 -11.0248 -11.0248 -10.9279 -10.9279 -10.8012 -10.8012 0.1890 0.1890 5.7046 5.7046 6.3310 6.3310 8.0011 8.0011 9.2593 9.2593 9.3567 9.3567 10.6935 10.6935 12.0149 12.0149 12.0418 12.0418 12.3065 12.3065 13.0834 13.0834 k = 0.1420 0.3516-0.0000 ( 2851 PWs) bands (ev): -31.4044 -31.4044 -31.3569 -31.3569 -12.4900 -12.4900 -12.3433 -12.3433 -11.1415 -11.1415 -11.0266 -11.0266 -10.9297 -10.9297 -10.8024 -10.8024 0.2155 0.2155 5.7474 5.7474 6.2722 6.2722 7.9864 7.9864 9.2149 9.2149 9.3804 9.3804 10.6882 10.6882 11.9848 11.9848 12.0170 12.0170 12.4136 12.4136 12.9927 12.9927 k = 0.1488 0.3684-0.0000 ( 2855 PWs) bands (ev): -31.4036 -31.4036 -31.3575 -31.3575 -12.4887 -12.4887 -12.3471 -12.3471 -11.1401 -11.1401 -11.0286 -11.0286 -10.9313 -10.9313 -10.8037 -10.8037 0.2418 0.2418 5.7903 5.7903 6.2175 6.2175 7.9715 7.9715 9.1633 9.1633 9.4020 9.4020 10.6929 10.6929 11.9389 11.9389 12.0155 12.0155 12.5218 12.5218 12.9022 12.9022 k = 0.1555 0.3851-0.0000 ( 2855 PWs) bands (ev): -31.4028 -31.4028 -31.3581 -31.3581 -12.4872 -12.4872 -12.3510 -12.3510 -11.1386 -11.1386 -11.0308 -11.0308 -10.9326 -10.9326 -10.8050 -10.8050 0.2678 0.2678 5.8330 5.8330 6.1672 6.1672 7.9565 7.9565 9.1068 9.1068 9.4211 9.4211 10.7061 10.7061 11.8950 11.8950 12.0196 12.0196 12.6289 12.6289 12.8133 12.8133 k = 0.1623 0.4019-0.0000 ( 2853 PWs) bands (ev): -31.4019 -31.4019 -31.3588 -31.3588 -12.4857 -12.4857 -12.3549 -12.3549 -11.1371 -11.1371 -11.0330 -11.0330 -10.9336 -10.9336 -10.8065 -10.8065 0.2931 0.2931 5.8750 5.8750 6.1213 6.1213 7.9415 7.9415 9.0470 9.0470 9.4377 9.4377 10.7266 10.7266 11.8542 11.8542 12.0283 12.0283 12.6997 12.6997 12.7609 12.7609 k = 0.1691 0.4186-0.0000 ( 2843 PWs) bands (ev): -31.4010 -31.4010 -31.3595 -31.3595 -12.4841 -12.4841 -12.3588 -12.3588 -11.1355 -11.1355 -11.0353 -11.0353 -10.9344 -10.9344 -10.8080 -10.8080 0.3177 0.3177 5.9158 5.9158 6.0800 6.0800 7.9266 7.9266 8.9858 8.9858 9.4519 9.4519 10.7528 10.7528 11.8169 11.8169 12.0412 12.0412 12.6243 12.6243 12.8542 12.8542 k = 0.1758 0.4353-0.0000 ( 2845 PWs) bands (ev): -31.4001 -31.4001 -31.3602 -31.3602 -12.4824 -12.4824 -12.3627 -12.3627 -11.1339 -11.1339 -11.0378 -11.0378 -10.9349 -10.9349 -10.8097 -10.8097 0.3414 0.3414 5.9548 5.9548 6.0435 6.0435 7.9120 7.9120 8.9246 8.9246 9.4637 9.4637 10.7835 10.7835 11.7829 11.7829 12.0581 12.0581 12.5364 12.5364 12.9590 12.9590 k = 0.1826 0.4521-0.0000 ( 2837 PWs) bands (ev): -31.3992 -31.3992 -31.3609 -31.3609 -12.4806 -12.4806 -12.3665 -12.3665 -11.1322 -11.1322 -11.0402 -11.0402 -10.9352 -10.9352 -10.8114 -10.8114 0.3640 0.3640 5.9904 5.9904 6.0131 6.0131 7.8976 7.8976 8.8651 8.8651 9.4734 9.4734 10.8176 10.8176 11.7525 11.7525 12.0788 12.0788 12.4485 12.4485 13.0620 13.0620 k = 0.1893 0.4688-0.0000 ( 2831 PWs) bands (ev): -31.3983 -31.3983 -31.3616 -31.3616 -12.4787 -12.4787 -12.3703 -12.3703 -11.1304 -11.1304 -11.0427 -11.0427 -10.9352 -10.9352 -10.8132 -10.8132 0.3853 0.3853 5.9836 5.9836 6.0269 6.0269 7.8837 7.8837 8.8085 8.8085 9.4809 9.4809 10.8542 10.8542 11.7255 11.7255 12.1029 12.1029 12.3617 12.3617 13.1611 13.1611 k = 0.1961 0.4856-0.0000 ( 2831 PWs) bands (ev): -31.3973 -31.3973 -31.3624 -31.3624 -12.4768 -12.4768 -12.3741 -12.3741 -11.1286 -11.1286 -11.0452 -11.0452 -10.9349 -10.9349 -10.8151 -10.8151 0.4052 0.4052 5.9623 5.9623 6.0566 6.0566 7.8703 7.8703 8.7564 8.7564 9.4864 9.4864 10.8923 10.8923 11.7021 11.7021 12.1293 12.1293 12.2772 12.2772 13.2512 13.2512 k = 0.2029 0.5023-0.0000 ( 2831 PWs) bands (ev): -31.3964 -31.3964 -31.3632 -31.3632 -12.4748 -12.4748 -12.3778 -12.3778 -11.1267 -11.1267 -11.0476 -11.0476 -10.9345 -10.9345 -10.8171 -10.8171 0.4236 0.4236 5.9457 5.9457 6.0822 6.0822 7.8574 7.8574 8.7099 8.7099 9.4900 9.4900 10.9314 10.9314 11.6823 11.6823 12.1480 12.1480 12.2052 12.2052 13.2690 13.2690 k = 0.2096 0.5191-0.0000 ( 2827 PWs) bands (ev): -31.3955 -31.3955 -31.3640 -31.3640 -12.4726 -12.4726 -12.3813 -12.3813 -11.1248 -11.1248 -11.0500 -11.0500 -10.9339 -10.9339 -10.8191 -10.8191 0.4403 0.4403 5.9343 5.9343 6.1026 6.1026 7.8453 7.8453 8.6703 8.6703 9.4919 9.4919 10.9708 10.9708 11.6660 11.6660 12.0957 12.0957 12.2087 12.2087 13.2447 13.2447 k = 0.2164 0.5358-0.0000 ( 2827 PWs) bands (ev): -31.3946 -31.3946 -31.3648 -31.3648 -12.4705 -12.4705 -12.3848 -12.3848 -11.1229 -11.1229 -11.0522 -11.0522 -10.9331 -10.9331 -10.8212 -10.8212 0.4553 0.4553 5.9280 5.9280 6.1172 6.1172 7.8339 7.8339 8.6384 8.6384 9.4920 9.4920 11.0100 11.0100 11.6533 11.6533 12.0165 12.0165 12.2439 12.2439 13.2115 13.2115 k = 0.2232 0.5526-0.0000 ( 2825 PWs) bands (ev): -31.3936 -31.3936 -31.3657 -31.3657 -12.4682 -12.4682 -12.3882 -12.3882 -11.1210 -11.1210 -11.0543 -11.0543 -10.9322 -10.9322 -10.8234 -10.8234 0.4684 0.4684 5.9269 5.9269 6.1252 6.1252 7.8233 7.8233 8.6153 8.6153 9.4906 9.4906 11.0487 11.0487 11.6442 11.6442 11.9362 11.9362 12.2844 12.2844 13.1698 13.1698 k = 0.2299 0.5693-0.0000 ( 2825 PWs) bands (ev): -31.3927 -31.3927 -31.3665 -31.3665 -12.4659 -12.4659 -12.3914 -12.3914 -11.1190 -11.1190 -11.0561 -11.0561 -10.9311 -10.9311 -10.8256 -10.8256 0.4797 0.4797 5.9310 5.9310 6.1263 6.1263 7.8136 7.8136 8.6016 8.6016 9.4877 9.4877 11.0864 11.0864 11.6386 11.6386 11.8569 11.8569 12.3283 12.3283 13.1196 13.1196 k = 0.2367 0.5860-0.0000 ( 2825 PWs) bands (ev): -31.3918 -31.3918 -31.3674 -31.3674 -12.4635 -12.4635 -12.3945 -12.3945 -11.1171 -11.1171 -11.0577 -11.0577 -10.9300 -10.9300 -10.8279 -10.8279 0.4890 0.4890 5.9402 5.9402 6.1201 6.1201 7.8049 7.8049 8.5978 8.5978 9.4834 9.4834 11.1229 11.1229 11.6366 11.6366 11.7790 11.7790 12.3749 12.3749 13.0618 13.0618 k = 0.2434 0.6028-0.0000 ( 2828 PWs) bands (ev): -31.3909 -31.3909 -31.3683 -31.3683 -12.4610 -12.4610 -12.3975 -12.3975 -11.1153 -11.1153 -11.0590 -11.0590 -10.9288 -10.9288 -10.8302 -10.8302 0.4964 0.4964 5.9544 5.9544 6.1067 6.1067 7.7973 7.7973 8.6042 8.6042 9.4777 9.4777 11.1578 11.1578 11.6375 11.6375 11.7030 11.7030 12.4241 12.4241 12.9980 12.9980 k = 0.2502 0.6195-0.0000 ( 2824 PWs) bands (ev): -31.3900 -31.3900 -31.3692 -31.3692 -12.4585 -12.4585 -12.4003 -12.4003 -11.1135 -11.1135 -11.0601 -11.0601 -10.9275 -10.9275 -10.8326 -10.8326 0.5018 0.5018 5.9732 5.9732 6.0865 6.0865 7.7907 7.7907 8.6206 8.6206 9.4709 9.4709 11.1908 11.1908 11.6226 11.6226 11.6481 11.6481 12.4753 12.4753 12.9302 12.9302 k = 0.2570 0.6363-0.0000 ( 2822 PWs) bands (ev): -31.3891 -31.3891 -31.3701 -31.3701 -12.4560 -12.4560 -12.4029 -12.4029 -11.1118 -11.1118 -11.0607 -11.0607 -10.9262 -10.9262 -10.8350 -10.8350 0.5052 0.5052 5.9950 5.9950 6.0612 6.0612 7.7852 7.7852 8.6469 8.6469 9.4629 9.4629 11.2215 11.2215 11.5521 11.5521 11.6539 11.6539 12.5284 12.5284 12.8605 12.8605 k = 0.2637 0.6530-0.0000 ( 2822 PWs) bands (ev): -31.3882 -31.3882 -31.3710 -31.3710 -12.4534 -12.4534 -12.4053 -12.4053 -11.1102 -11.1102 -11.0610 -11.0610 -10.9249 -10.9249 -10.8374 -10.8374 0.5067 0.5067 6.0056 6.0056 6.0457 6.0457 7.7808 7.7808 8.6825 8.6825 9.4539 9.4539 11.2495 11.2495 11.4805 11.4805 11.6660 11.6660 12.5830 12.5830 12.7908 12.7908 k = 0.2705 0.6698-0.0000 ( 2820 PWs) bands (ev): -31.3873 -31.3873 -31.3719 -31.3719 -12.4508 -12.4508 -12.4075 -12.4075 -11.1087 -11.1087 -11.0609 -11.0609 -10.9236 -10.9236 -10.8398 -10.8398 0.5064 0.5064 5.9758 5.9758 6.0693 6.0693 7.7776 7.7776 8.7270 8.7270 9.4439 9.4439 11.2739 11.2739 11.4104 11.4104 11.6818 11.6818 12.6386 12.6386 12.7233 12.7233 k = 0.2773 0.6865-0.0000 ( 2826 PWs) bands (ev): -31.3865 -31.3865 -31.3728 -31.3728 -12.4482 -12.4482 -12.4095 -12.4095 -11.1073 -11.1073 -11.0604 -11.0604 -10.9224 -10.9224 -10.8423 -10.8423 0.5042 0.5042 5.9323 5.9323 6.1061 6.1061 7.7755 7.7755 8.7795 8.7795 9.4331 9.4331 11.2926 11.2926 11.3439 11.3439 11.7013 11.7013 12.6589 12.6589 12.6956 12.6956 k = 0.2840 0.7033-0.0000 ( 2826 PWs) bands (ev): -31.3856 -31.3856 -31.3738 -31.3738 -12.4457 -12.4457 -12.4113 -12.4113 -11.1061 -11.1061 -11.0595 -11.0595 -10.9211 -10.9211 -10.8447 -10.8447 0.5004 0.5004 5.8832 5.8832 6.1487 6.1487 7.7746 7.7746 8.8392 8.8392 9.4215 9.4215 11.2675 11.2675 11.3182 11.3182 11.7243 11.7243 12.6009 12.6009 12.7519 12.7519 k = 0.2908 0.7200-0.0000 ( 2822 PWs) bands (ev): -31.3848 -31.3848 -31.3747 -31.3747 -12.4432 -12.4432 -12.4128 -12.4128 -11.1050 -11.1050 -11.0582 -11.0582 -10.9199 -10.9199 -10.8471 -10.8471 0.4949 0.4949 5.8299 5.8299 6.1958 6.1958 7.7749 7.7749 8.9055 8.9055 9.4091 9.4091 11.2036 11.2036 11.3277 11.3277 11.7508 11.7508 12.5499 12.5499 12.8080 12.8080 k = 0.2908 0.7200-0.0000 ( 2822 PWs) bands (ev): -31.3848 -31.3848 -31.3747 -31.3747 -12.4432 -12.4432 -12.4128 -12.4128 -11.1050 -11.1050 -11.0582 -11.0582 -10.9199 -10.9199 -10.8471 -10.8471 0.4949 0.4949 5.8299 5.8299 6.1958 6.1958 7.7749 7.7749 8.9055 8.9055 9.4091 9.4091 11.2036 11.2036 11.3277 11.3277 11.7508 11.7508 12.5499 12.5499 12.8080 12.8080 k = 0.2737 0.7200-0.0000 ( 2824 PWs) bands (ev): -31.3851 -31.3851 -31.3743 -31.3743 -12.4442 -12.4442 -12.4122 -12.4122 -11.1055 -11.1055 -11.0587 -11.0587 -10.9204 -10.9204 -10.8462 -10.8462 0.4969 0.4969 5.8448 5.8448 6.1843 6.1843 7.7749 7.7749 8.8770 8.8770 9.4160 9.4160 11.2231 11.2231 11.3265 11.3265 11.7386 11.7386 12.5733 12.5733 12.7924 12.7924 k = 0.2566 0.7200-0.0000 ( 2825 PWs) bands (ev): -31.3855 -31.3855 -31.3739 -31.3739 -12.4453 -12.4453 -12.4114 -12.4114 -11.1061 -11.1061 -11.0590 -11.0590 -10.9208 -10.9208 -10.8452 -10.8452 0.4986 0.4986 5.8492 5.8492 6.1858 6.1858 7.7752 7.7752 8.8417 8.8417 9.4265 9.4265 11.2324 11.2324 11.3323 11.3323 11.7223 11.7223 12.6099 12.6099 12.7852 12.7852 k = 0.2395 0.7200-0.0000 ( 2831 PWs) bands (ev): -31.3860 -31.3860 -31.3734 -31.3734 -12.4466 -12.4466 -12.4105 -12.4105 -11.1068 -11.1068 -11.0592 -11.0592 -10.9213 -10.9213 -10.8442 -10.8442 0.4999 0.4999 5.8431 5.8431 6.2004 6.2004 7.7759 7.7759 8.8014 8.8014 9.4393 9.4393 11.2296 11.2296 11.3471 11.3471 11.7023 11.7023 12.6588 12.6588 12.7862 12.7862 k = 0.2224 0.7200-0.0000 ( 2827 PWs) bands (ev): -31.3864 -31.3864 -31.3729 -31.3729 -12.4478 -12.4478 -12.4095 -12.4095 -11.1076 -11.1076 -11.0593 -11.0593 -10.9218 -10.9218 -10.8431 -10.8431 0.5009 0.5009 5.8286 5.8286 6.2257 6.2257 7.7770 7.7770 8.7575 8.7575 9.4532 9.4532 11.2183 11.2183 11.3679 11.3679 11.6793 11.6793 12.7187 12.7187 12.7948 12.7948 k = 0.2053 0.7200-0.0000 ( 2835 PWs) bands (ev): -31.3869 -31.3869 -31.3724 -31.3724 -12.4491 -12.4491 -12.4084 -12.4084 -11.1085 -11.1085 -11.0593 -11.0593 -10.9223 -10.9223 -10.8420 -10.8420 0.5017 0.5017 5.8090 5.8090 6.2585 6.2585 7.7783 7.7783 8.7114 8.7114 9.4672 9.4672 11.2026 11.2026 11.3912 11.3912 11.6541 11.6541 12.7880 12.7880 12.8105 12.8105 k = 0.1881 0.7200-0.0000 ( 2841 PWs) bands (ev): -31.3873 -31.3873 -31.3720 -31.3720 -12.4503 -12.4503 -12.4074 -12.4074 -11.1094 -11.1094 -11.0593 -11.0593 -10.9227 -10.9227 -10.8410 -10.8410 0.5022 0.5022 5.7867 5.7867 6.2958 6.2958 7.7799 7.7799 8.6642 8.6642 9.4807 9.4807 11.1848 11.1848 11.4153 11.4153 11.6277 11.6277 12.8305 12.8305 12.8667 12.8667 k = 0.1710 0.7200-0.0000 ( 2845 PWs) bands (ev): -31.3878 -31.3878 -31.3715 -31.3715 -12.4515 -12.4515 -12.4065 -12.4065 -11.1103 -11.1103 -11.0592 -11.0592 -10.9232 -10.9232 -10.8399 -10.8399 0.5026 0.5026 5.7636 5.7636 6.3356 6.3356 7.7816 7.7816 8.6168 8.6168 9.4932 9.4932 11.1663 11.1663 11.4392 11.4392 11.6010 11.6010 12.8566 12.8566 12.9507 12.9507 k = 0.1539 0.7200-0.0000 ( 2843 PWs) bands (ev): -31.3882 -31.3882 -31.3711 -31.3711 -12.4526 -12.4526 -12.4055 -12.4055 -11.1112 -11.1112 -11.0591 -11.0591 -10.9236 -10.9236 -10.8390 -10.8390 0.5029 0.5029 5.7409 5.7409 6.3762 6.3762 7.7833 7.7833 8.5701 8.5701 9.5046 9.5046 11.1482 11.1482 11.4622 11.4622 11.5750 11.5750 12.8863 12.8863 13.0394 13.0394 k = 0.1368 0.7200-0.0000 ( 2844 PWs) bands (ev): -31.3885 -31.3885 -31.3707 -31.3707 -12.4536 -12.4536 -12.4047 -12.4047 -11.1121 -11.1121 -11.0589 -11.0589 -10.9240 -10.9240 -10.8380 -10.8380 0.5030 0.5030 5.7194 5.7194 6.4163 6.4163 7.7851 7.7851 8.5251 8.5251 9.5145 9.5145 11.1310 11.1310 11.4836 11.4836 11.5506 11.5506 12.9185 12.9185 13.1307 13.1307 k = 0.1197 0.7200-0.0000 ( 2839 PWs) bands (ev): -31.3889 -31.3889 -31.3704 -31.3704 -12.4546 -12.4546 -12.4039 -12.4039 -11.1129 -11.1129 -11.0588 -11.0588 -10.9243 -10.9243 -10.8372 -10.8372 0.5030 0.5030 5.6996 5.6996 6.4548 6.4548 7.7868 7.7868 8.4825 8.4825 9.5231 9.5231 11.1152 11.1152 11.5002 11.5002 11.5314 11.5314 12.9523 12.9523 13.2224 13.2224 k = 0.1026 0.7200-0.0000 ( 2837 PWs) bands (ev): -31.3892 -31.3892 -31.3700 -31.3700 -12.4554 -12.4554 -12.4032 -12.4032 -11.1137 -11.1137 -11.0586 -11.0586 -10.9246 -10.9246 -10.8364 -10.8364 0.5030 0.5030 5.6819 5.6819 6.4909 6.4909 7.7885 7.7885 8.4431 8.4431 9.5304 9.5304 11.1010 11.1010 11.4970 11.4970 11.5324 11.5324 12.9863 12.9863 13.3114 13.3114 k = 0.0855 0.7200-0.0000 ( 2838 PWs) bands (ev): -31.3894 -31.3894 -31.3698 -31.3698 -12.4560 -12.4560 -12.4026 -12.4026 -11.1143 -11.1143 -11.0585 -11.0585 -10.9248 -10.9248 -10.8358 -10.8358 0.5030 0.5030 5.6666 5.6666 6.5234 6.5234 7.7899 7.7899 8.4079 8.4079 9.5363 9.5363 11.0887 11.0887 11.4812 11.4812 11.5465 11.5465 13.0193 13.0193 13.3938 13.3938 k = 0.0684 0.7200-0.0000 ( 2837 PWs) bands (ev): -31.3896 -31.3896 -31.3695 -31.3695 -12.4566 -12.4566 -12.4021 -12.4021 -11.1149 -11.1149 -11.0583 -11.0583 -10.9250 -10.9250 -10.8353 -10.8353 0.5029 0.5029 5.6539 5.6539 6.5515 6.5515 7.7912 7.7912 8.3776 8.3776 9.5410 9.5410 11.0785 11.0785 11.4662 11.4662 11.5602 11.5602 13.0498 13.0498 13.4646 13.4646 k = 0.0513 0.7200-0.0000 ( 2839 PWs) bands (ev): -31.3898 -31.3898 -31.3694 -31.3694 -12.4571 -12.4571 -12.4017 -12.4017 -11.1153 -11.1153 -11.0582 -11.0582 -10.9252 -10.9252 -10.8348 -10.8348 0.5029 0.5029 5.6438 5.6438 6.5744 6.5744 7.7923 7.7923 8.3531 8.3531 9.5445 9.5445 11.0704 11.0704 11.4540 11.4540 11.5716 11.5716 13.0760 13.0760 13.5191 13.5191 k = 0.0342 0.7200-0.0000 ( 2837 PWs) bands (ev): -31.3899 -31.3899 -31.3692 -31.3692 -12.4574 -12.4574 -12.4014 -12.4014 -11.1156 -11.1156 -11.0581 -11.0581 -10.9253 -10.9253 -10.8345 -10.8345 0.5028 0.5028 5.6366 5.6366 6.5913 6.5913 7.7930 7.7930 8.3350 8.3350 9.5470 9.5470 11.0646 11.0646 11.4451 11.4451 11.5801 11.5801 13.0964 13.0964 13.5553 13.5553 k = 0.0171 0.7200-0.0000 ( 2835 PWs) bands (ev): -31.3900 -31.3900 -31.3692 -31.3692 -12.4576 -12.4576 -12.4012 -12.4012 -11.1158 -11.1158 -11.0581 -11.0581 -10.9254 -10.9254 -10.8343 -10.8343 0.5028 0.5028 5.6322 5.6322 6.6017 6.6017 7.7935 7.7935 8.3239 8.3239 9.5484 9.5484 11.0611 11.0611 11.4396 11.4396 11.5853 11.5853 13.1095 13.1095 13.5753 13.5753 k = 0.0000 0.7200-0.0000 ( 2832 PWs) bands (ev): -31.3900 -31.3900 -31.3691 -31.3691 -12.4576 -12.4576 -12.4012 -12.4012 -11.1159 -11.1159 -11.0581 -11.0581 -10.9254 -10.9254 -10.8343 -10.8343 0.5027 0.5027 5.6308 5.6308 6.6052 6.6052 7.7937 7.7937 8.3202 8.3202 9.5489 9.5489 11.0599 11.0599 11.4378 11.4378 11.5871 11.5871 13.1139 13.1139 13.5817 13.5817 k = 0.0000 0.7200-0.0000 ( 2832 PWs) bands (ev): -31.3900 -31.3900 -31.3691 -31.3691 -12.4576 -12.4576 -12.4012 -12.4012 -11.1159 -11.1159 -11.0581 -11.0581 -10.9254 -10.9254 -10.8343 -10.8343 0.5027 0.5027 5.6308 5.6308 6.6052 6.6052 7.7937 7.7937 8.3202 8.3202 9.5489 9.5489 11.0599 11.0599 11.4378 11.4378 11.5871 11.5871 13.1139 13.1139 13.5817 13.5817 k = 0.0000 0.7200 0.0177 ( 2832 PWs) bands (ev): -31.3900 -31.3900 -31.3691 -31.3691 -12.4577 -12.4577 -12.4012 -12.4012 -11.1160 -11.1160 -11.0580 -11.0580 -10.9256 -10.9256 -10.8344 -10.8344 0.5039 0.5039 5.6306 5.6306 6.6038 6.6038 7.7889 7.7889 8.3218 8.3218 9.5470 9.5470 11.0641 11.0641 11.4339 11.4339 11.5922 11.5922 13.1135 13.1135 13.5822 13.5822 k = 0.0000 0.7200 0.0353 ( 2832 PWs) bands (ev): -31.3899 -31.3899 -31.3691 -31.3691 -12.4577 -12.4577 -12.4014 -12.4014 -11.1163 -11.1163 -11.0577 -11.0577 -10.9262 -10.9262 -10.8347 -10.8347 0.5072 0.5072 5.6301 5.6301 6.5995 6.5995 7.7748 7.7748 8.3266 8.3266 9.5413 9.5413 11.0758 11.0758 11.4222 11.4222 11.6083 11.6083 13.1125 13.1125 13.5840 13.5840 k = 0.0000 0.7200 0.0530 ( 2832 PWs) bands (ev): -31.3898 -31.3898 -31.3691 -31.3691 -12.4578 -12.4578 -12.4016 -12.4016 -11.1167 -11.1167 -11.0572 -11.0572 -10.9271 -10.9271 -10.8353 -10.8353 0.5127 0.5127 5.6289 5.6289 6.5923 6.5923 7.7524 7.7524 8.3346 8.3346 9.5318 9.5318 11.0932 11.0932 11.4029 11.4029 11.6363 11.6363 13.1111 13.1111 13.5869 13.5869 k = 0.0000 0.7200 0.0706 ( 2832 PWs) bands (ev): -31.3897 -31.3897 -31.3690 -31.3690 -12.4579 -12.4579 -12.4020 -12.4020 -11.1173 -11.1173 -11.0565 -11.0565 -10.9284 -10.9284 -10.8361 -10.8361 0.5205 0.5205 5.6266 5.6266 6.5823 6.5823 7.7231 7.7231 8.3456 8.3456 9.5187 9.5187 11.1133 11.1133 11.3764 11.3764 11.6779 11.6779 13.1097 13.1097 13.5908 13.5908 k = 0.0000 0.7200 0.0883 ( 2836 PWs) bands (ev): -31.3895 -31.3895 -31.3690 -31.3690 -12.4580 -12.4580 -12.4025 -12.4025 -11.1180 -11.1180 -11.0557 -11.0557 -10.9301 -10.9301 -10.8372 -10.8372 0.5304 0.5304 5.6227 5.6227 6.5697 6.5697 7.6889 7.6889 8.3596 8.3596 9.5021 9.5021 11.1334 11.1334 11.3431 11.3431 11.7344 11.7344 13.1089 13.1089 13.5957 13.5957 k = 0.0000 0.7200 0.1060 ( 2840 PWs) bands (ev): -31.3893 -31.3893 -31.3689 -31.3689 -12.4582 -12.4582 -12.4031 -12.4031 -11.1189 -11.1189 -11.0547 -11.0547 -10.9322 -10.9322 -10.8385 -10.8385 0.5426 0.5426 5.6164 5.6164 6.5547 6.5547 7.6515 7.6515 8.3764 8.3764 9.4821 9.4821 11.1511 11.1511 11.3037 11.3037 11.8063 11.8063 13.1091 13.1091 13.6016 13.6016 k = 0.0000 0.7200 0.1236 ( 2838 PWs) bands (ev): -31.3890 -31.3890 -31.3688 -31.3688 -12.4584 -12.4584 -12.4038 -12.4038 -11.1198 -11.1198 -11.0536 -11.0536 -10.9345 -10.9345 -10.8400 -10.8400 0.5570 0.5570 5.6067 5.6067 6.5380 6.5380 7.6132 7.6132 8.3957 8.3957 9.4592 9.4592 11.1650 11.1650 11.2588 11.2588 11.8930 11.8930 13.1108 13.1108 13.6084 13.6084 k = 0.0000 0.7200 0.1413 ( 2838 PWs) bands (ev): -31.3887 -31.3887 -31.3687 -31.3687 -12.4586 -12.4586 -12.4046 -12.4046 -11.1209 -11.1209 -11.0524 -11.0524 -10.9372 -10.9372 -10.8416 -10.8416 0.5736 0.5736 5.5922 5.5922 6.5203 6.5203 7.5756 7.5756 8.4174 8.4174 9.4334 9.4334 11.1747 11.1747 11.2094 11.2094 11.9932 11.9932 13.1143 13.1143 13.6161 13.6161 k = 0.0000 0.7200 0.1589 ( 2844 PWs) bands (ev): -31.3883 -31.3883 -31.3686 -31.3686 -12.4588 -12.4588 -12.4054 -12.4054 -11.1220 -11.1220 -11.0511 -11.0511 -10.9402 -10.9402 -10.8435 -10.8435 0.5925 0.5925 5.5718 5.5718 6.5028 6.5028 7.5403 7.5403 8.4410 8.4410 9.4052 9.4052 11.1547 11.1547 11.1816 11.1816 12.1046 12.1046 13.1199 13.1199 13.6247 13.6247 k = 0.0000 0.7200 0.1766 ( 2836 PWs) bands (ev): -31.3880 -31.3880 -31.3685 -31.3685 -12.4591 -12.4591 -12.4064 -12.4064 -11.1232 -11.1232 -11.0496 -11.0496 -10.9434 -10.9434 -10.8456 -10.8456 0.6135 0.6135 5.5439 5.5439 6.4870 6.4870 7.5085 7.5085 8.4661 8.4661 9.3750 9.3750 11.0981 11.0981 11.1837 11.1837 12.2252 12.2252 13.1278 13.1278 13.6344 13.6344 k = 0.0000 0.7200 0.1943 ( 2836 PWs) bands (ev): -31.3875 -31.3875 -31.3684 -31.3684 -12.4594 -12.4594 -12.4075 -12.4075 -11.1245 -11.1245 -11.0482 -11.0482 -10.9470 -10.9470 -10.8479 -10.8479 0.6368 0.6368 5.5074 5.5074 6.4743 6.4743 7.4809 7.4809 8.4922 8.4922 9.3433 9.3433 11.0386 11.0386 11.1832 11.1832 12.3526 12.3526 13.1382 13.1382 13.6451 13.6451 k = 0.0000 0.7200 0.2119 ( 2836 PWs) bands (ev): -31.3871 -31.3871 -31.3683 -31.3683 -12.4597 -12.4597 -12.4087 -12.4087 -11.1257 -11.1257 -11.0467 -11.0467 -10.9507 -10.9507 -10.8503 -10.8503 0.6622 0.6622 5.4612 5.4612 6.4662 6.4662 7.4581 7.4581 8.5187 8.5187 9.3107 9.3107 10.9772 10.9772 11.1801 11.1801 12.4848 12.4848 13.1511 13.1511 13.6570 13.6570 k = 0.0000 0.7200 0.2296 ( 2834 PWs) bands (ev): -31.3866 -31.3866 -31.3681 -31.3681 -12.4600 -12.4600 -12.4100 -12.4100 -11.1270 -11.1270 -11.0451 -11.0451 -10.9546 -10.9546 -10.8528 -10.8528 0.6899 0.6899 5.4051 5.4051 6.4636 6.4636 7.4401 7.4401 8.5445 8.5445 9.2780 9.2780 10.9146 10.9146 11.1749 11.1749 12.6197 12.6197 13.1666 13.1666 13.6702 13.6702 k = 0.0000 0.7200 0.2473 ( 2836 PWs) bands (ev): -31.3861 -31.3861 -31.3680 -31.3680 -12.4604 -12.4604 -12.4113 -12.4113 -11.1282 -11.1282 -11.0436 -11.0436 -10.9586 -10.9586 -10.8556 -10.8556 0.7198 0.7198 5.3392 5.3392 6.4670 6.4670 7.4269 7.4269 8.5688 8.5688 9.2459 9.2459 10.8515 10.8515 11.1678 11.1678 12.7557 12.7557 13.1846 13.1846 13.6848 13.6848 k = 0.0000 0.7200 0.2649 ( 2840 PWs) bands (ev): -31.3856 -31.3856 -31.3679 -31.3679 -12.4608 -12.4608 -12.4128 -12.4128 -11.1294 -11.1294 -11.0421 -11.0421 -10.9628 -10.9628 -10.8584 -10.8584 0.7520 0.7520 5.2641 5.2641 6.4767 6.4767 7.4183 7.4183 8.5901 8.5901 9.2157 9.2157 10.7887 10.7887 11.1592 11.1592 12.8908 12.8908 13.2051 13.2051 13.7008 13.7008 k = 0.0000 0.7200 0.2826 ( 2838 PWs) bands (ev): -31.3850 -31.3850 -31.3678 -31.3678 -12.4612 -12.4612 -12.4143 -12.4143 -11.1306 -11.1306 -11.0407 -11.0407 -10.9670 -10.9670 -10.8614 -10.8614 0.7863 0.7863 5.1808 5.1808 6.4922 6.4922 7.4139 7.4139 8.6069 8.6069 9.1887 9.1887 10.7267 10.7267 11.1492 11.1492 13.0238 13.0238 13.2282 13.2282 13.7183 13.7183 k = 0.0000 0.7200 0.3002 ( 2842 PWs) bands (ev): -31.3844 -31.3844 -31.3676 -31.3676 -12.4616 -12.4616 -12.4159 -12.4159 -11.1318 -11.1318 -11.0395 -11.0395 -10.9711 -10.9711 -10.8645 -10.8645 0.8228 0.8228 5.0905 5.0905 6.5132 6.5132 7.4135 7.4135 8.6174 8.6174 9.1660 9.1660 10.6663 10.6663 11.1380 11.1380 13.1531 13.1531 13.2538 13.2538 13.7374 13.7374 k = 0.0000 0.7200 0.3179 ( 2846 PWs) bands (ev): -31.3839 -31.3839 -31.3675 -31.3675 -12.4620 -12.4620 -12.4176 -12.4176 -11.1328 -11.1328 -11.0384 -11.0384 -10.9752 -10.9752 -10.8677 -10.8677 0.8616 0.8616 4.9942 4.9942 6.5389 6.5389 7.4169 7.4169 8.6201 8.6201 9.1488 9.1488 10.6083 10.6083 11.1258 11.1258 13.2714 13.2714 13.2882 13.2882 13.7582 13.7582 k = 0.0000 0.7200 0.3356 ( 2844 PWs) bands (ev): -31.3832 -31.3832 -31.3674 -31.3674 -12.4624 -12.4624 -12.4193 -12.4193 -11.1338 -11.1338 -11.0375 -11.0375 -10.9790 -10.9790 -10.8709 -10.8709 0.9026 0.9026 4.8932 4.8932 6.5690 6.5690 7.4237 7.4237 8.6140 8.6140 9.1375 9.1375 10.5535 10.5535 11.1127 11.1127 13.3097 13.3097 13.3998 13.3998 13.7810 13.7810 k = 0.0000 0.7200 0.3532 ( 2844 PWs) bands (ev): -31.3826 -31.3826 -31.3673 -31.3673 -12.4628 -12.4628 -12.4211 -12.4211 -11.1347 -11.1347 -11.0371 -11.0371 -10.9826 -10.9826 -10.8743 -10.8743 0.9458 0.9458 4.7884 4.7884 6.6026 6.6026 7.4338 7.4338 8.5987 8.5987 9.1317 9.1317 10.5028 10.5028 11.0989 11.0989 13.3419 13.3419 13.5134 13.5134 13.8062 13.8062 k = 0.0000 0.7200 0.3709 ( 2842 PWs) bands (ev): -31.3819 -31.3819 -31.3672 -31.3672 -12.4632 -12.4632 -12.4230 -12.4230 -11.1355 -11.1355 -11.0371 -11.0371 -10.9857 -10.9857 -10.8777 -10.8777 0.9912 0.9912 4.6807 4.6807 6.6393 6.6393 7.4469 7.4469 8.5751 8.5751 9.1296 9.1296 10.4570 10.4570 11.0845 11.0845 13.3757 13.3757 13.6199 13.6199 13.8352 13.8352 k = 0.0000 0.7200 0.3885 ( 2842 PWs) bands (ev): -31.3813 -31.3813 -31.3671 -31.3671 -12.4636 -12.4636 -12.4249 -12.4249 -11.1362 -11.1362 -11.0377 -11.0377 -10.9882 -10.9882 -10.8811 -10.8811 1.0388 1.0388 4.5707 4.5707 6.6787 6.6787 7.4630 7.4630 8.5443 8.5443 9.1293 9.1293 10.4172 10.4172 11.0696 11.0696 13.4112 13.4112 13.7155 13.7155 13.8717 13.8717 k = 0.0000 0.7200 0.4062 ( 2840 PWs) bands (ev): -31.3806 -31.3806 -31.3670 -31.3670 -12.4639 -12.4639 -12.4268 -12.4268 -11.1367 -11.1367 -11.0389 -11.0389 -10.9900 -10.9900 -10.8846 -10.8846 1.0886 1.0886 4.4592 4.4592 6.7202 6.7202 7.4819 7.4819 8.5078 8.5078 9.1283 9.1283 10.3842 10.3842 11.0543 11.0543 13.4483 13.4483 13.7918 13.7918 13.9237 13.9237 k = 0.0000 0.7200 0.4239 ( 2842 PWs) bands (ev): -31.3800 -31.3800 -31.3669 -31.3669 -12.4643 -12.4643 -12.4288 -12.4288 -11.1371 -11.1371 -11.0409 -11.0409 -10.9911 -10.9911 -10.8882 -10.8882 1.1406 1.1406 4.3467 4.3467 6.7634 6.7634 7.5036 7.5036 8.4670 8.4670 9.1244 9.1244 10.3589 10.3589 11.0388 11.0388 13.4866 13.4866 13.8438 13.8438 13.9952 13.9952 k = 0.0000 0.7200 0.4415 ( 2838 PWs) bands (ev): -31.3793 -31.3793 -31.3669 -31.3669 -12.4646 -12.4646 -12.4308 -12.4308 -11.1373 -11.1373 -11.0436 -11.0436 -10.9914 -10.9914 -10.8917 -10.8917 1.1948 1.1948 4.2336 4.2336 6.8080 6.8080 7.5281 7.5281 8.4230 8.4230 9.1160 9.1160 10.3417 10.3417 11.0230 11.0230 13.5260 13.5260 13.8802 13.8802 14.0719 14.0719 k = 0.0000 0.7200 0.4592 ( 2838 PWs) bands (ev): -31.3786 -31.3786 -31.3668 -31.3668 -12.4649 -12.4649 -12.4328 -12.4328 -11.1374 -11.1374 -11.0468 -11.0468 -10.9911 -10.9911 -10.8953 -10.8953 1.2512 1.2512 4.1203 4.1203 6.8537 6.8537 7.5552 7.5552 8.3766 8.3766 9.1018 9.1018 10.3328 10.3328 11.0070 11.0070 13.5663 13.5663 13.9094 13.9094 14.1272 14.1272 k = 0.0000 0.7200 0.4768 ( 2842 PWs) bands (ev): -31.3779 -31.3779 -31.3668 -31.3668 -12.4651 -12.4651 -12.4348 -12.4348 -11.1374 -11.1374 -11.0505 -11.0505 -10.9903 -10.9903 -10.8990 -10.8990 1.3098 1.3098 4.0071 4.0071 6.9001 6.9001 7.5851 7.5851 8.3286 8.3286 9.0811 9.0811 10.3320 10.3320 10.9909 10.9909 13.6070 13.6070 13.9350 13.9350 14.1568 14.1568 k = 0.0000 0.7200 0.4945 ( 2846 PWs) bands (ev): -31.3773 -31.3773 -31.3668 -31.3668 -12.4653 -12.4653 -12.4368 -12.4368 -11.1371 -11.1371 -11.0545 -11.0545 -10.9890 -10.9890 -10.9026 -10.9026 1.3706 1.3706 3.8943 3.8943 6.9470 6.9470 7.6176 7.6176 8.2795 8.2795 9.0540 9.0540 10.3388 10.3388 10.9748 10.9748 13.6479 13.6479 13.9580 13.9580 14.1793 14.1793 k = 0.0000 0.7200 0.5122 ( 2846 PWs) bands (ev): -31.3766 -31.3766 -31.3668 -31.3668 -12.4654 -12.4654 -12.4388 -12.4388 -11.1367 -11.1367 -11.0588 -11.0588 -10.9873 -10.9873 -10.9062 -10.9062 1.4336 1.4336 3.7822 3.7822 6.9942 6.9942 7.6528 7.6528 8.2297 8.2297 9.0208 9.0208 10.3522 10.3522 10.9585 10.9585 13.6887 13.6887 13.9787 13.9787 14.2015 14.2015 k = 0.0000 0.7200 0.5298 ( 2840 PWs) bands (ev): -31.3759 -31.3759 -31.3669 -31.3669 -12.4655 -12.4655 -12.4407 -12.4407 -11.1361 -11.1361 -11.0633 -11.0633 -10.9854 -10.9854 -10.9098 -10.9098 1.4988 1.4988 3.6709 3.6709 7.0414 7.0414 7.6906 7.6906 8.1795 8.1795 8.9819 8.9819 10.3711 10.3711 10.9422 10.9422 13.7289 13.7289 13.9972 13.9972 14.2248 14.2248 k = 0.0000 0.7200 0.5475 ( 2842 PWs) bands (ev): -31.3753 -31.3753 -31.3669 -31.3669 -12.4655 -12.4655 -12.4427 -12.4427 -11.1352 -11.1352 -11.0678 -11.0678 -10.9832 -10.9832 -10.9134 -10.9134 1.5661 1.5661 3.5607 3.5607 7.0886 7.0886 7.7310 7.7310 8.1292 8.1292 8.9382 8.9382 10.3945 10.3945 10.9257 10.9257 13.7682 13.7682 14.0136 14.0136 14.2497 14.2497 k = 0.0000 0.7200 0.5652 ( 2842 PWs) bands (ev): -31.3747 -31.3747 -31.3670 -31.3670 -12.4655 -12.4655 -12.4446 -12.4446 -11.1342 -11.1342 -11.0723 -11.0723 -10.9808 -10.9808 -10.9170 -10.9170 1.6356 1.6356 3.4516 3.4516 7.1355 7.1355 7.7739 7.7739 8.0790 8.0790 8.8904 8.8904 10.4212 10.4212 10.9091 10.9091 13.8061 13.8061 14.0279 14.0279 14.2762 14.2762 k = 0.0000 0.7200 0.5828 ( 2844 PWs) bands (ev): -31.3741 -31.3741 -31.3672 -31.3672 -12.4653 -12.4653 -12.4464 -12.4464 -11.1330 -11.1330 -11.0768 -11.0768 -10.9783 -10.9783 -10.9206 -10.9206 1.7073 1.7073 3.3438 3.3438 7.1822 7.1822 7.8190 7.8190 8.0292 8.0292 8.8393 8.8393 10.4502 10.4502 10.8922 10.8922 13.8424 13.8424 14.0402 14.0402 14.3041 14.3041 k = 0.0000 0.7200 0.6005 ( 2844 PWs) bands (ev): -31.3735 -31.3735 -31.3673 -31.3673 -12.4651 -12.4651 -12.4483 -12.4483 -11.1315 -11.1315 -11.0813 -11.0813 -10.9757 -10.9757 -10.9242 -10.9242 1.7811 1.7811 3.2375 3.2375 7.2286 7.2286 7.8659 7.8659 7.9802 7.9802 8.7854 8.7854 10.4806 10.4806 10.8750 10.8750 13.8767 13.8767 14.0505 14.0505 14.3332 14.3332 k = 0.0000 0.7200 0.6181 ( 2848 PWs) bands (ev): -31.3729 -31.3729 -31.3675 -31.3675 -12.4648 -12.4648 -12.4500 -12.4500 -11.1299 -11.1299 -11.0857 -11.0857 -10.9729 -10.9729 -10.9277 -10.9277 1.8570 1.8570 3.1326 3.1326 7.2747 7.2747 7.9076 7.9076 7.9388 7.9388 8.7294 8.7294 10.5117 10.5117 10.8573 10.8573 13.9086 13.9086 14.0587 14.0587 14.3632 14.3632 k = 0.0000 0.7200 0.6358 ( 2844 PWs) bands (ev): -31.3723 -31.3723 -31.3677 -31.3677 -12.4644 -12.4644 -12.4516 -12.4516 -11.1280 -11.1280 -11.0899 -11.0899 -10.9701 -10.9701 -10.9312 -10.9312 1.9351 1.9351 3.0293 3.0293 7.3206 7.3206 7.8774 7.8774 7.9719 7.9719 8.6717 8.6717 10.5428 10.5428 10.8392 10.8392 13.9380 13.9380 14.0649 14.0649 14.3938 14.3938 k = 0.0000 0.7200 0.6535 ( 2850 PWs) bands (ev): -31.3718 -31.3718 -31.3679 -31.3679 -12.4639 -12.4639 -12.4532 -12.4532 -11.1260 -11.1260 -11.0941 -11.0941 -10.9672 -10.9672 -10.9347 -10.9347 2.0152 2.0152 2.9278 2.9278 7.3663 7.3663 7.8300 7.8300 8.0244 8.0244 8.6128 8.6128 10.5736 10.5736 10.8204 10.8204 13.9646 13.9646 14.0689 14.0689 14.4247 14.4247 k = 0.0000 0.7200 0.6711 ( 2846 PWs) bands (ev): -31.3713 -31.3713 -31.3682 -31.3682 -12.4632 -12.4632 -12.4547 -12.4547 -11.1237 -11.1237 -11.0981 -11.0981 -10.9642 -10.9642 -10.9381 -10.9381 2.0975 2.0975 2.8279 2.8279 7.4119 7.4119 7.7823 7.7823 8.0793 8.0793 8.5531 8.5531 10.6036 10.6036 10.8008 10.8008 13.9882 13.9882 14.0707 14.0707 14.4557 14.4557 k = 0.0000 0.7200 0.6888 ( 2844 PWs) bands (ev): -31.3708 -31.3708 -31.3685 -31.3685 -12.4625 -12.4625 -12.4561 -12.4561 -11.1212 -11.1212 -11.1019 -11.1019 -10.9611 -10.9611 -10.9416 -10.9416 2.1818 2.1818 2.7299 2.7299 7.4575 7.4575 7.7349 7.7349 8.1359 8.1359 8.4929 8.4929 10.6326 10.6326 10.7803 10.7803 14.0089 14.0089 14.0701 14.0701 14.4865 14.4865 k = 0.0000 0.7200 0.7064 ( 2842 PWs) bands (ev): -31.3704 -31.3704 -31.3688 -31.3688 -12.4617 -12.4617 -12.4575 -12.4575 -11.1185 -11.1185 -11.1056 -11.1056 -10.9580 -10.9580 -10.9449 -10.9449 2.2682 2.2682 2.6337 2.6337 7.5031 7.5031 7.6878 7.6878 8.1937 8.1937 8.4325 8.4325 10.6604 10.6604 10.7587 10.7587 14.0264 14.0264 14.0670 14.0670 14.5168 14.5168 k = 0.0000 0.7200 0.7241 ( 2844 PWs) bands (ev): -31.3699 -31.3699 -31.3691 -31.3691 -12.4608 -12.4608 -12.4587 -12.4587 -11.1155 -11.1155 -11.1091 -11.1091 -10.9548 -10.9548 -10.9483 -10.9483 2.3566 2.3566 2.5394 2.5394 7.5489 7.5489 7.6412 7.6412 8.2525 8.2525 8.3721 8.3721 10.6869 10.6869 10.7360 10.7360 14.0410 14.0410 14.0612 14.0612 14.5464 14.5464 k = 0.0000 0.7200 0.7418 ( 2844 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4598 -12.4598 -12.4598 -12.4598 -11.1124 -11.1124 -11.1124 -11.1124 -10.9516 -10.9516 -10.9516 -10.9516 2.4470 2.4470 2.4470 2.4470 7.5949 7.5949 7.5949 7.5949 8.3120 8.3120 8.3120 8.3120 10.7121 10.7121 10.7121 10.7121 14.0525 14.0525 14.0525 14.0525 14.5750 14.5750 k = 0.0000 0.7200 0.7418 ( 2844 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4598 -12.4598 -12.4598 -12.4598 -11.1124 -11.1124 -11.1124 -11.1124 -10.9516 -10.9516 -10.9516 -10.9516 2.4470 2.4470 2.4470 2.4470 7.5949 7.5949 7.5949 7.5949 8.3120 8.3120 8.3120 8.3120 10.7121 10.7121 10.7121 10.7121 14.0525 14.0525 14.0525 14.0525 14.5750 14.5750 k = 0.0171 0.7200 0.7418 ( 2842 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4600 -12.4600 -12.4596 -12.4596 -11.1166 -11.1166 -11.1081 -11.1081 -10.9557 -10.9557 -10.9474 -10.9474 2.4465 2.4465 2.4479 2.4479 7.5929 7.5929 7.5932 7.5932 8.3120 8.3120 8.3153 8.3153 10.7120 10.7120 10.7133 10.7133 14.0514 14.0514 14.0525 14.0525 14.5699 14.5708 k = 0.0342 0.7200 0.7418 ( 2844 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4603 -12.4603 -12.4594 -12.4594 -11.1207 -11.1207 -11.1037 -11.1037 -10.9600 -10.9600 -10.9434 -10.9434 2.4463 2.4463 2.4492 2.4492 7.5873 7.5873 7.5880 7.5880 8.3151 8.3151 8.3216 8.3216 10.7130 10.7130 10.7156 10.7156 14.0490 14.0490 14.0511 14.0511 14.5565 14.5567 k = 0.0513 0.7200 0.7418 ( 2844 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4605 -12.4605 -12.4592 -12.4592 -11.1247 -11.1247 -11.0992 -11.0992 -10.9643 -10.9643 -10.9396 -10.9396 2.4465 2.4465 2.4508 2.4508 7.5785 7.5785 7.5795 7.5795 8.3211 8.3211 8.3307 8.3307 10.7151 10.7151 10.7188 10.7188 14.0445 14.0445 14.0479 14.0479 14.5364 14.5364 k = 0.0684 0.7200 0.7418 ( 2842 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4607 -12.4607 -12.4591 -12.4591 -11.1284 -11.1284 -11.0946 -11.0946 -10.9686 -10.9686 -10.9358 -10.9358 2.4470 2.4470 2.4528 2.4528 7.5666 7.5666 7.5681 7.5681 8.3297 8.3297 8.3423 8.3423 10.7182 10.7182 10.7231 10.7231 14.0369 14.0369 14.0418 14.0418 14.5121 14.5121 k = 0.0855 0.7200 0.7418 ( 2842 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4610 -12.4610 -12.4589 -12.4589 -11.1320 -11.1320 -11.0900 -11.0900 -10.9730 -10.9730 -10.9322 -10.9322 2.4479 2.4479 2.4550 2.4550 7.5523 7.5523 7.5544 7.5544 8.3405 8.3405 8.3558 8.3558 10.7222 10.7222 10.7282 10.7282 14.0250 14.0250 14.0314 14.0314 14.4867 14.4867 k = 0.1026 0.7200 0.7418 ( 2840 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4612 -12.4612 -12.4588 -12.4588 -11.1354 -11.1354 -11.0854 -11.0854 -10.9773 -10.9773 -10.9287 -10.9287 2.4491 2.4491 2.4575 2.4575 7.5361 7.5361 7.5388 7.5388 8.3529 8.3529 8.3707 8.3707 10.7270 10.7270 10.7341 10.7341 14.0073 14.0073 14.0151 14.0151 14.4638 14.4638 k = 0.1197 0.7200 0.7418 ( 2834 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4614 -12.4614 -12.4587 -12.4587 -11.1386 -11.1386 -11.0808 -11.0808 -10.9816 -10.9816 -10.9254 -10.9254 2.4505 2.4505 2.4602 2.4602 7.5185 7.5185 7.5219 7.5219 8.3664 8.3664 8.3865 8.3865 10.7325 10.7325 10.7405 10.7405 13.9826 13.9826 13.9916 13.9916 14.4463 14.4463 k = 0.1368 0.7200 0.7418 ( 2832 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4617 -12.4617 -12.4586 -12.4586 -11.1416 -11.1416 -11.0763 -11.0763 -10.9858 -10.9858 -10.9223 -10.9223 2.4522 2.4522 2.4631 2.4631 7.5000 7.5000 7.5041 7.5041 8.3807 8.3807 8.4029 8.4029 10.7385 10.7385 10.7474 10.7474 13.9507 13.9507 13.9603 13.9603 14.4366 14.4366 k = 0.1539 0.7200 0.7418 ( 2834 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4619 -12.4619 -12.4585 -12.4585 -11.1443 -11.1443 -11.0718 -11.0718 -10.9899 -10.9899 -10.9194 -10.9194 2.4541 2.4541 2.4661 2.4661 7.4811 7.4811 7.4859 7.4859 8.3953 8.3953 8.4193 8.4193 10.7448 10.7448 10.7546 10.7546 13.9122 13.9122 13.9220 13.9220 14.4353 14.4353 k = 0.1710 0.7200 0.7418 ( 2832 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4621 -12.4621 -12.4584 -12.4584 -11.1468 -11.1468 -11.0675 -11.0675 -10.9939 -10.9939 -10.9166 -10.9166 2.4561 2.4561 2.4692 2.4692 7.4623 7.4623 7.4678 7.4678 8.4097 8.4097 8.4354 8.4354 10.7514 10.7514 10.7618 10.7618 13.8686 13.8686 13.8781 13.8781 14.4421 14.4421 k = 0.1881 0.7200 0.7418 ( 2832 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4623 -12.4623 -12.4584 -12.4584 -11.1491 -11.1491 -11.0634 -11.0634 -10.9976 -10.9976 -10.9141 -10.9141 2.4581 2.4581 2.4723 2.4723 7.4440 7.4440 7.4502 7.4502 8.4238 8.4238 8.4508 8.4508 10.7578 10.7578 10.7688 10.7688 13.8216 13.8216 13.8306 13.8306 14.4561 14.4561 k = 0.2053 0.7200 0.7418 ( 2832 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4624 -12.4624 -12.4584 -12.4584 -11.1511 -11.1511 -11.0596 -11.0596 -11.0010 -11.0010 -10.9118 -10.9118 2.4603 2.4603 2.4753 2.4753 7.4266 7.4266 7.4333 7.4333 8.4372 8.4372 8.4654 8.4654 10.7640 10.7640 10.7754 10.7754 13.7732 13.7732 13.7815 13.7815 14.4762 14.4762 k = 0.2224 0.7200 0.7418 ( 2834 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4625 -12.4625 -12.4584 -12.4584 -11.1528 -11.1528 -11.0562 -11.0562 -11.0041 -11.0041 -10.9098 -10.9098 2.4623 2.4623 2.4782 2.4782 7.4103 7.4103 7.4175 7.4175 8.4497 8.4497 8.4789 8.4789 10.7696 10.7696 10.7814 10.7814 13.7247 13.7247 13.7324 13.7324 14.5015 14.5015 k = 0.2395 0.7200 0.7418 ( 2834 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4626 -12.4626 -12.4583 -12.4583 -11.1543 -11.1543 -11.0534 -11.0534 -11.0065 -11.0065 -10.9079 -10.9079 2.4643 2.4643 2.4809 2.4809 7.3955 7.3955 7.4031 7.4031 8.4611 8.4611 8.4911 8.4911 10.7745 10.7745 10.7865 10.7865 13.6776 13.6776 13.6848 13.6848 14.5310 14.5310 k = 0.2566 0.7200 0.7418 ( 2834 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4627 -12.4627 -12.4583 -12.4583 -11.1556 -11.1556 -11.0513 -11.0513 -11.0083 -11.0083 -10.9064 -10.9064 2.4662 2.4662 2.4833 2.4833 7.3824 7.3824 7.3904 7.3904 8.4713 8.4713 8.5018 8.5018 10.7785 10.7785 10.7904 10.7904 13.6329 13.6329 13.6396 13.6396 14.5643 14.5643 k = 0.2737 0.7200 0.7418 ( 2832 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4628 -12.4628 -12.4583 -12.4583 -11.1565 -11.1565 -11.0501 -11.0501 -11.0092 -11.0092 -10.9050 -10.9050 2.4678 2.4678 2.4855 2.4855 7.3713 7.3713 7.3794 7.3794 8.4801 8.4801 8.5111 8.5111 10.7812 10.7812 10.7931 10.7931 13.5914 13.5914 13.5976 13.5976 14.6006 14.6006 k = 0.2908 0.7200 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4628 -12.4628 -12.4584 -12.4584 -11.1572 -11.1572 -11.0498 -11.0498 -11.0091 -11.0091 -10.9040 -10.9040 2.4692 2.4692 2.4872 2.4872 7.3623 7.3623 7.3705 7.3705 8.4876 8.4876 8.5188 8.5188 10.7826 10.7826 10.7943 10.7943 13.5538 13.5538 13.5597 13.5597 14.6395 14.6395 k = 0.2908 0.7200 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4628 -12.4628 -12.4584 -12.4584 -11.1572 -11.1572 -11.0498 -11.0498 -11.0091 -11.0091 -10.9040 -10.9040 2.4692 2.4692 2.4872 2.4872 7.3623 7.3623 7.3705 7.3705 8.4876 8.4876 8.5188 8.5188 10.7826 10.7826 10.7943 10.7943 13.5538 13.5538 13.5597 13.5597 14.6395 14.6395 k = 0.2840 0.7033 0.7418 ( 2830 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4628 -12.4628 -12.4583 -12.4583 -11.1556 -11.1556 -11.0495 -11.0495 -11.0103 -11.0103 -10.9067 -10.9067 2.4655 2.4655 2.4826 2.4826 7.3852 7.3852 7.3934 7.3934 8.4690 8.4690 8.4998 8.4998 10.7808 10.7808 10.7933 10.7933 13.6535 13.6535 13.6602 13.6602 14.5256 14.5256 k = 0.2773 0.6865 0.7418 ( 2826 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4628 -12.4628 -12.4582 -12.4582 -11.1538 -11.1538 -11.0496 -11.0496 -11.0109 -11.0109 -10.9094 -10.9094 2.4615 2.4615 2.4775 2.4775 7.4093 7.4093 7.4177 7.4177 8.4514 8.4514 8.4816 8.4816 10.7788 10.7788 10.7922 10.7922 13.7520 13.7520 13.7594 13.7594 14.4113 14.4113 k = 0.2705 0.6698 0.7418 ( 2818 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4627 -12.4627 -12.4581 -12.4581 -11.1518 -11.1518 -11.0502 -11.0502 -11.0109 -11.0109 -10.9122 -10.9122 2.4572 2.4572 2.4721 2.4721 7.4345 7.4345 7.4432 7.4432 8.4349 8.4349 8.4643 8.4643 10.7762 10.7762 10.7905 10.7905 13.8488 13.8488 13.8572 13.8572 14.2985 14.2985 k = 0.2637 0.6530 0.7418 ( 2814 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4626 -12.4626 -12.4579 -12.4579 -11.1496 -11.1496 -11.0513 -11.0513 -11.0103 -11.0103 -10.9151 -10.9151 2.4525 2.4525 2.4663 2.4663 7.4607 7.4607 7.4697 7.4697 8.4194 8.4194 8.4480 8.4480 10.7724 10.7724 10.7879 10.7879 13.9434 13.9434 13.9529 13.9529 14.1891 14.1891 k = 0.2570 0.6363 0.7418 ( 2826 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4624 -12.4624 -12.4577 -12.4577 -11.1473 -11.1473 -11.0527 -11.0527 -11.0093 -11.0093 -10.9180 -10.9180 2.4475 2.4475 2.4601 2.4601 7.4877 7.4877 7.4972 7.4972 8.4052 8.4052 8.4327 8.4327 10.7672 10.7672 10.7838 10.7838 14.0335 14.0335 14.0420 14.0420 14.0884 14.0884 k = 0.2502 0.6195 0.7418 ( 2822 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4622 -12.4622 -12.4574 -12.4574 -11.1448 -11.1448 -11.0543 -11.0543 -11.0079 -11.0079 -10.9210 -10.9210 2.4423 2.4423 2.4537 2.4537 7.5154 7.5154 7.5255 7.5255 8.3923 8.3923 8.4186 8.4186 10.7603 10.7603 10.7781 10.7781 13.9803 13.9803 13.9978 13.9978 14.1292 14.1292 k = 0.2434 0.6028 0.7418 ( 2826 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4619 -12.4619 -12.4571 -12.4571 -11.1421 -11.1421 -11.0560 -11.0560 -11.0062 -11.0062 -10.9240 -10.9240 2.4368 2.4368 2.4471 2.4471 7.5436 7.5436 7.5544 7.5544 8.3808 8.3808 8.4057 8.4057 10.7512 10.7512 10.7703 10.7703 13.8867 13.8867 13.9037 13.9037 14.2150 14.2150 k = 0.2367 0.5860 0.7418 ( 2830 PWs) bands (ev): -31.3695 -31.3695 -31.3695 -31.3695 -12.4615 -12.4615 -12.4567 -12.4567 -11.1392 -11.1392 -11.0578 -11.0578 -11.0044 -11.0044 -10.9271 -10.9271 2.4312 2.4312 2.4402 2.4402 7.5720 7.5720 7.5837 7.5837 8.3708 8.3708 8.3941 8.3941 10.7398 10.7398 10.7602 10.7602 13.7990 13.7990 13.8154 13.8154 14.2979 14.2979 k = 0.2299 0.5693 0.7418 ( 2826 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4611 -12.4611 -12.4563 -12.4563 -11.1362 -11.1362 -11.0596 -11.0596 -11.0024 -11.0024 -10.9301 -10.9301 2.4253 2.4253 2.4332 2.4332 7.6005 7.6005 7.6132 7.6132 8.3623 8.3623 8.3839 8.3839 10.7258 10.7258 10.7475 10.7475 13.7182 13.7182 13.7340 13.7340 14.3766 14.3766 k = 0.2232 0.5526 0.7418 ( 2822 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4606 -12.4606 -12.4558 -12.4558 -11.1330 -11.1330 -11.0614 -11.0614 -11.0003 -11.0003 -10.9332 -10.9332 2.4194 2.4194 2.4260 2.4260 7.6289 7.6289 7.6427 7.6427 8.3554 8.3554 8.3752 8.3752 10.7092 10.7092 10.7322 10.7322 13.6449 13.6449 13.6601 13.6601 14.4505 14.4505 k = 0.2164 0.5358 0.7418 ( 2824 PWs) bands (ev): -31.3696 -31.3696 -31.3696 -31.3696 -12.4601 -12.4601 -12.4553 -12.4553 -11.1297 -11.1297 -11.0631 -11.0631 -10.9982 -10.9982 -10.9363 -10.9363 2.4133 2.4133 2.4188 2.4188 7.6568 7.6568 7.6719 7.6719 8.3503 8.3503 8.3680 8.3680 10.6898 10.6898 10.7140 10.7140 13.5792 13.5792 13.5939 13.5939 14.5187 14.5187 k = 0.2096 0.5191 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4595 -12.4595 -12.4547 -12.4547 -11.1262 -11.1262 -11.0647 -11.0647 -10.9961 -10.9961 -10.9394 -10.9394 2.4072 2.4072 2.4115 2.4115 7.6840 7.6840 7.7006 7.7006 8.3471 8.3471 8.3626 8.3626 10.6677 10.6677 10.6931 10.6931 13.5213 13.5213 13.5357 13.5357 14.5806 14.5806 k = 0.2029 0.5023 0.7418 ( 2838 PWs) bands (ev): -31.3698 -31.3698 -31.3698 -31.3698 -12.4589 -12.4589 -12.4541 -12.4541 -11.1227 -11.1227 -11.0662 -11.0662 -10.9939 -10.9939 -10.9425 -10.9425 2.4010 2.4010 2.4042 2.4042 7.7104 7.7104 7.7284 7.7284 8.3458 8.3458 8.3589 8.3589 10.6431 10.6431 10.6694 10.6694 13.4712 13.4712 13.4854 13.4854 14.6357 14.6357 k = 0.1961 0.4856 0.7418 ( 2834 PWs) bands (ev): -31.3698 -31.3698 -31.3698 -31.3698 -12.4582 -12.4582 -12.4535 -12.4535 -11.1189 -11.1189 -11.0676 -11.0676 -10.9918 -10.9918 -10.9456 -10.9456 2.3948 2.3948 2.3968 2.3968 7.7356 7.7356 7.7552 7.7552 8.3466 8.3466 8.3572 8.3572 10.6160 10.6160 10.6432 10.6432 13.4288 13.4288 13.4430 13.4430 14.6833 14.6833 k = 0.1893 0.4688 0.7418 ( 2834 PWs) bands (ev): -31.3699 -31.3699 -31.3699 -31.3699 -12.4575 -12.4575 -12.4528 -12.4528 -11.1151 -11.1151 -11.0688 -11.0688 -10.9898 -10.9898 -10.9487 -10.9487 2.3885 2.3885 2.3895 2.3895 7.7593 7.7593 7.7806 7.7806 8.3495 8.3495 8.3576 8.3576 10.5869 10.5869 10.6148 10.6148 13.3940 13.3940 13.4083 13.4083 14.7230 14.7230 k = 0.1826 0.4521 0.7418 ( 2834 PWs) bands (ev): -31.3700 -31.3700 -31.3700 -31.3700 -12.4568 -12.4568 -12.4521 -12.4521 -11.1112 -11.1112 -11.0699 -11.0699 -10.9877 -10.9877 -10.9518 -10.9518 2.3823 2.3823 2.3823 2.3823 7.7815 7.7815 7.8043 7.8043 8.3546 8.3546 8.3601 8.3601 10.5559 10.5559 10.5843 10.5843 13.3664 13.3664 13.3810 13.3810 14.7546 14.7546 k = 0.1758 0.4353 0.7418 ( 2830 PWs) bands (ev): -31.3701 -31.3701 -31.3701 -31.3701 -12.4560 -12.4560 -12.4514 -12.4514 -11.1072 -11.1072 -11.0709 -11.0709 -10.9858 -10.9858 -10.9549 -10.9549 2.3751 2.3751 2.3760 2.3760 7.8018 7.8018 7.8261 7.8261 8.3619 8.3619 8.3649 8.3649 10.5236 10.5236 10.5523 10.5523 13.3457 13.3457 13.3609 13.3609 14.7778 14.7778 k = 0.1691 0.4186 0.7418 ( 2822 PWs) bands (ev): -31.3702 -31.3702 -31.3702 -31.3702 -12.4551 -12.4551 -12.4506 -12.4506 -11.1031 -11.1031 -11.0717 -11.0717 -10.9839 -10.9839 -10.9580 -10.9580 2.3680 2.3680 2.3699 2.3699 7.8202 7.8202 7.8458 7.8458 8.3713 8.3713 8.3721 8.3721 10.4903 10.4903 10.5191 10.5191 13.3315 13.3315 13.3473 13.3473 14.7929 14.7929 k = 0.1623 0.4019 0.7418 ( 2818 PWs) bands (ev): -31.3703 -31.3703 -31.3703 -31.3703 -12.4543 -12.4543 -12.4499 -12.4499 -11.0989 -11.0989 -11.0723 -11.0723 -10.9821 -10.9821 -10.9610 -10.9610 2.3610 2.3610 2.3637 2.3637 7.8366 7.8366 7.8632 7.8632 8.3814 8.3814 8.3828 8.3828 10.4565 10.4565 10.4852 10.4852 13.3232 13.3232 13.3399 13.3399 14.8001 14.8001 k = 0.1555 0.3851 0.7418 ( 2816 PWs) bands (ev): -31.3704 -31.3704 -31.3704 -31.3704 -12.4534 -12.4534 -12.4491 -12.4491 -11.0947 -11.0947 -11.0728 -11.0728 -10.9804 -10.9804 -10.9640 -10.9640 2.3542 2.3542 2.3576 2.3576 7.8509 7.8509 7.8782 7.8782 8.3930 8.3930 8.3962 8.3962 10.4226 10.4226 10.4509 10.4509 13.3204 13.3204 13.3382 13.3382 14.7998 14.7998 k = 0.1488 0.3684 0.7418 ( 2816 PWs) bands (ev): -31.3705 -31.3705 -31.3705 -31.3705 -12.4525 -12.4525 -12.4483 -12.4483 -11.0905 -11.0905 -11.0731 -11.0731 -10.9789 -10.9789 -10.9670 -10.9670 2.3475 2.3475 2.3517 2.3517 7.8632 7.8632 7.8909 7.8909 8.4066 8.4066 8.4114 8.4114 10.3890 10.3890 10.4168 10.4168 13.3225 13.3225 13.3415 13.3415 14.7925 14.7925 k = 0.1420 0.3516 0.7418 ( 2820 PWs) bands (ev): -31.3706 -31.3706 -31.3706 -31.3706 -12.4516 -12.4516 -12.4475 -12.4475 -11.0862 -11.0862 -11.0733 -11.0733 -10.9774 -10.9774 -10.9699 -10.9699 2.3410 2.3410 2.3458 2.3458 7.8736 7.8736 7.9013 7.9013 8.4220 8.4220 8.4280 8.4280 10.3561 10.3561 10.3832 10.3832 13.3290 13.3290 13.3493 13.3493 14.7789 14.7789 k = 0.1352 0.3349 0.7418 ( 2828 PWs) bands (ev): -31.3707 -31.3707 -31.3707 -31.3707 -12.4507 -12.4507 -12.4468 -12.4468 -11.0820 -11.0820 -11.0733 -11.0733 -10.9761 -10.9761 -10.9728 -10.9728 2.3347 2.3347 2.3400 2.3400 7.8822 7.8822 7.9095 7.9095 8.4390 8.4390 8.4458 8.4458 10.3243 10.3243 10.3506 10.3506 13.3393 13.3393 13.3610 13.3610 14.7597 14.7597 k = 0.1285 0.3181 0.7418 ( 2828 PWs) bands (ev): -31.3708 -31.3708 -31.3708 -31.3708 -12.4498 -12.4498 -12.4460 -12.4460 -11.0778 -11.0778 -11.0731 -11.0731 -10.9756 -10.9756 -10.9750 -10.9750 2.3286 2.3286 2.3343 2.3343 7.8891 7.8891 7.9158 7.9158 8.4571 8.4571 8.4645 8.4645 10.2940 10.2940 10.3192 10.3192 13.3529 13.3529 13.3761 13.3761 14.7355 14.7355 k = 0.1217 0.3014 0.7418 ( 2832 PWs) bands (ev): -31.3709 -31.3709 -31.3709 -31.3709 -12.4489 -12.4489 -12.4452 -12.4452 -11.0737 -11.0737 -11.0728 -11.0728 -10.9783 -10.9783 -10.9739 -10.9739 2.3227 2.3227 2.3287 2.3287 7.8946 7.8946 7.9203 7.9203 8.4761 8.4761 8.4839 8.4839 10.2652 10.2652 10.2893 10.2893 13.3692 13.3692 13.3939 13.3939 14.7070 14.7070 k = 0.1150 0.2846 0.7418 ( 2832 PWs) bands (ev): -31.3711 -31.3711 -31.3711 -31.3711 -12.4480 -12.4480 -12.4445 -12.4445 -11.0724 -11.0724 -11.0696 -11.0696 -10.9809 -10.9809 -10.9730 -10.9730 2.3170 2.3170 2.3234 2.3234 7.8987 7.8987 7.9233 7.9233 8.4957 8.4957 8.5035 8.5035 10.2384 10.2384 10.2612 10.2612 13.3878 13.3878 13.4140 13.4140 14.6749 14.6749 k = 0.1082 0.2679 0.7418 ( 2828 PWs) bands (ev): -31.3712 -31.3712 -31.3712 -31.3712 -12.4471 -12.4471 -12.4438 -12.4438 -11.0718 -11.0718 -11.0657 -11.0657 -10.9834 -10.9834 -10.9723 -10.9723 2.3116 2.3116 2.3181 2.3181 7.9017 7.9017 7.9249 7.9249 8.5155 8.5155 8.5233 8.5233 10.2135 10.2135 10.2350 10.2350 13.4082 13.4082 13.4359 13.4359 14.6398 14.6398 k = 0.1014 0.2512 0.7418 ( 2836 PWs) bands (ev): -31.3713 -31.3713 -31.3713 -31.3713 -12.4463 -12.4463 -12.4431 -12.4431 -11.0711 -11.0711 -11.0619 -11.0619 -10.9857 -10.9857 -10.9718 -10.9718 2.3064 2.3064 2.3131 2.3131 7.9036 7.9036 7.9254 7.9254 8.5353 8.5353 8.5429 8.5429 10.1908 10.1908 10.2109 10.2109 13.4299 13.4299 13.4590 13.4590 14.6023 14.6023 k = 0.0947 0.2344 0.7418 ( 2844 PWs) bands (ev): -31.3714 -31.3714 -31.3714 -31.3714 -12.4454 -12.4454 -12.4424 -12.4424 -11.0702 -11.0702 -11.0583 -11.0583 -10.9878 -10.9878 -10.9714 -10.9714 2.3015 2.3015 2.3082 2.3082 7.9047 7.9047 7.9249 7.9249 8.5548 8.5548 8.5620 8.5620 10.1703 10.1703 10.1889 10.1889 13.4525 13.4525 13.4828 13.4828 14.5629 14.5629 k = 0.0879 0.2177 0.7418 ( 2840 PWs) bands (ev): -31.3715 -31.3715 -31.3715 -31.3715 -12.4446 -12.4446 -12.4418 -12.4418 -11.0693 -11.0693 -11.0550 -11.0550 -10.9897 -10.9897 -10.9712 -10.9712 2.2970 2.2970 2.3035 2.3035 7.9051 7.9051 7.9237 7.9237 8.5738 8.5738 8.5806 8.5806 10.1520 10.1520 10.1691 10.1691 13.4757 13.4757 13.5071 13.5071 14.5223 14.5223 k = 0.0811 0.2009 0.7418 ( 2836 PWs) bands (ev): -31.3716 -31.3716 -31.3716 -31.3716 -12.4438 -12.4438 -12.4412 -12.4412 -11.0682 -11.0682 -11.0519 -11.0519 -10.9914 -10.9914 -10.9711 -10.9711 2.2927 2.2927 2.2991 2.2991 7.9050 7.9050 7.9219 7.9219 8.5920 8.5920 8.5984 8.5984 10.1358 10.1358 10.1514 10.1514 13.4991 13.4991 13.5313 13.5313 14.4809 14.4809 k = 0.0744 0.1842 0.7418 ( 2836 PWs) bands (ev): -31.3717 -31.3717 -31.3717 -31.3717 -12.4431 -12.4431 -12.4407 -12.4407 -11.0670 -11.0670 -11.0493 -11.0493 -10.9927 -10.9927 -10.9712 -10.9712 2.2887 2.2887 2.2949 2.2949 7.9043 7.9043 7.9196 7.9196 8.6093 8.6093 8.6152 8.6152 10.1217 10.1217 10.1358 10.1358 13.5224 13.5224 13.5553 13.5553 14.4392 14.4392 k = 0.0676 0.1674 0.7418 ( 2840 PWs) bands (ev): -31.3718 -31.3718 -31.3718 -31.3718 -12.4424 -12.4424 -12.4402 -12.4402 -11.0657 -11.0657 -11.0470 -11.0470 -10.9937 -10.9937 -10.9716 -10.9716 2.2851 2.2851 2.2910 2.2910 7.9034 7.9034 7.9170 7.9170 8.6256 8.6256 8.6310 8.6310 10.1096 10.1096 10.1222 10.1222 13.5455 13.5455 13.5785 13.5785 14.3978 14.3978 k = 0.0609 0.1507 0.7418 ( 2836 PWs) bands (ev): -31.3719 -31.3719 -31.3719 -31.3719 -12.4417 -12.4417 -12.4397 -12.4397 -11.0642 -11.0642 -11.0453 -11.0453 -10.9942 -10.9942 -10.9721 -10.9721 2.2818 2.2818 2.2873 2.2873 7.9022 7.9022 7.9143 7.9143 8.6407 8.6407 8.6455 8.6455 10.0993 10.0993 10.1105 10.1105 13.5681 13.5681 13.6010 13.6010 14.3573 14.3573 k = 0.0541 0.1340 0.7418 ( 2838 PWs) bands (ev): -31.3719 -31.3719 -31.3719 -31.3719 -12.4411 -12.4411 -12.4393 -12.4393 -11.0628 -11.0628 -11.0440 -11.0440 -10.9943 -10.9943 -10.9727 -10.9727 2.2788 2.2788 2.2839 2.2839 7.9009 7.9009 7.9114 7.9114 8.6546 8.6546 8.6588 8.6588 10.0907 10.0907 10.1005 10.1005 13.5900 13.5900 13.6222 13.6222 14.3183 14.3183 k = 0.0473 0.1172 0.7418 ( 2842 PWs) bands (ev): -31.3720 -31.3720 -31.3720 -31.3720 -12.4406 -12.4406 -12.4390 -12.4390 -11.0612 -11.0612 -11.0434 -11.0434 -10.9940 -10.9940 -10.9736 -10.9736 2.2763 2.2763 2.2808 2.2808 7.8995 7.8995 7.9086 7.9086 8.6670 8.6670 8.6707 8.6707 10.0836 10.0836 10.0921 10.0921 13.6111 13.6111 13.6421 13.6421 14.2813 14.2813 k = 0.0406 0.1005 0.7418 ( 2842 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4401 -12.4401 -12.4387 -12.4387 -11.0596 -11.0596 -11.0432 -11.0432 -10.9932 -10.9932 -10.9746 -10.9746 2.2741 2.2741 2.2781 2.2781 7.8983 7.8983 7.9059 7.9059 8.6780 8.6780 8.6811 8.6811 10.0779 10.0779 10.0851 10.0851 13.6312 13.6312 13.6604 13.6604 14.2471 14.2471 k = 0.0338 0.0837 0.7418 ( 2842 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4396 -12.4396 -12.4385 -12.4385 -11.0579 -11.0579 -11.0435 -11.0435 -10.9921 -10.9921 -10.9758 -10.9758 2.2722 2.2722 2.2757 2.2757 7.8971 7.8971 7.9034 7.9034 8.6874 8.6874 8.6900 8.6900 10.0735 10.0735 10.0794 10.0794 13.6500 13.6500 13.6766 13.6766 14.2165 14.2165 k = 0.0270 0.0670 0.7418 ( 2842 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4392 -12.4392 -12.4383 -12.4383 -11.0562 -11.0562 -11.0441 -11.0441 -10.9907 -10.9907 -10.9771 -10.9771 2.2708 2.2708 2.2736 2.2736 7.8962 7.8962 7.9011 7.9011 8.6952 8.6952 8.6973 8.6973 10.0702 10.0702 10.0748 10.0748 13.6673 13.6673 13.6903 13.6903 14.1901 14.1901 k = 0.0203 0.0502 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4389 -12.4389 -12.4382 -12.4382 -11.0544 -11.0544 -11.0451 -11.0451 -10.9891 -10.9891 -10.9786 -10.9786 2.2698 2.2698 2.2719 2.2719 7.8955 7.8955 7.8992 7.8992 8.7014 8.7014 8.7030 8.7030 10.0679 10.0679 10.0713 10.0713 13.6825 13.6825 13.7011 13.7011 14.1691 14.1691 k = 0.0135 0.0335 0.7418 ( 2842 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4386 -12.4386 -12.4382 -12.4382 -11.0527 -11.0527 -11.0464 -11.0464 -10.9873 -10.9873 -10.9802 -10.9802 2.2692 2.2692 2.2706 2.2706 7.8952 7.8952 7.8976 7.8976 8.7059 8.7059 8.7070 8.7070 10.0664 10.0664 10.0687 10.0687 13.6951 13.6951 13.7082 13.7082 14.1541 14.1541 k = 0.0068 0.0167 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4384 -12.4384 -12.4382 -12.4382 -11.0510 -11.0510 -11.0478 -11.0478 -10.9855 -10.9855 -10.9819 -10.9819 2.2689 2.2689 2.2697 2.2697 7.8952 7.8952 7.8964 7.8964 8.7088 8.7088 8.7093 8.7093 10.0658 10.0658 10.0669 10.0669 13.7044 13.7044 13.7113 13.7113 14.1460 14.1460 k = 0.0000 0.0000 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4383 -12.4383 -12.4383 -12.4383 -11.0493 -11.0493 -11.0493 -11.0493 -10.9837 -10.9837 -10.9837 -10.9837 2.2691 2.2691 2.2691 2.2691 7.8956 7.8956 7.8956 7.8956 8.7099 8.7099 8.7099 8.7099 10.0660 10.0660 10.0660 10.0660 13.7100 13.7100 13.7100 13.7100 14.1451 14.1451 k = 0.0000 0.0000 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4383 -12.4383 -12.4383 -12.4383 -11.0493 -11.0493 -11.0493 -11.0493 -10.9837 -10.9837 -10.9837 -10.9837 2.2691 2.2691 2.2691 2.2691 7.8956 7.8956 7.8956 7.8956 8.7099 8.7099 8.7099 8.7099 10.0660 10.0660 10.0660 10.0660 13.7100 13.7100 13.7100 13.7100 14.1451 14.1451 k = 0.0000 0.0000 0.7241 ( 2838 PWs) bands (ev): -31.3734 -31.3734 -31.3711 -31.3711 -12.4420 -12.4420 -12.4344 -12.4344 -11.0532 -11.0532 -11.0454 -11.0454 -10.9878 -10.9878 -10.9794 -10.9794 2.1628 2.1628 2.3772 2.3772 7.8077 7.8077 7.9845 7.9845 8.6654 8.6654 8.7565 8.7565 10.0164 10.0164 10.1162 10.1162 13.6912 13.6912 13.7196 13.7196 14.0937 14.0937 k = 0.0000 0.0000 0.7064 ( 2842 PWs) bands (ev): -31.3747 -31.3747 -31.3699 -31.3699 -12.4456 -12.4456 -12.4305 -12.4305 -11.0569 -11.0569 -11.0414 -11.0414 -10.9917 -10.9917 -10.9750 -10.9750 2.0584 2.0584 2.4871 2.4871 7.7209 7.7209 8.0740 8.0740 8.6230 8.6230 8.8051 8.8051 9.9677 9.9677 10.1668 10.1668 13.6648 13.6648 13.7188 13.7188 14.0423 14.0423 k = 0.0000 0.0000 0.6888 ( 2848 PWs) bands (ev): -31.3759 -31.3759 -31.3688 -31.3688 -12.4490 -12.4490 -12.4264 -12.4264 -11.0604 -11.0604 -11.0376 -11.0376 -10.9952 -10.9952 -10.9705 -10.9705 1.9559 1.9559 2.5987 2.5987 7.6355 7.6355 8.1637 8.1637 8.5826 8.5826 8.8560 8.8560 9.9201 9.9201 10.2177 10.2177 13.6321 13.6321 13.7065 13.7065 13.9914 13.9914 k = 0.0000 0.0000 0.6711 ( 2844 PWs) bands (ev): -31.3772 -31.3772 -31.3677 -31.3677 -12.4524 -12.4524 -12.4222 -12.4222 -11.0638 -11.0638 -11.0340 -11.0340 -10.9980 -10.9980 -10.9659 -10.9659 1.8554 1.8554 2.7119 2.7119 7.5517 7.5517 8.2531 8.2531 8.5441 8.5441 8.9091 8.9091 9.8740 9.8740 10.2687 10.2687 13.5946 13.5946 13.6819 13.6819 13.9416 13.9416 k = 0.0000 0.0000 0.6535 ( 2844 PWs) bands (ev): -31.3785 -31.3785 -31.3667 -31.3667 -12.4556 -12.4556 -12.4180 -12.4180 -11.0670 -11.0670 -11.0311 -11.0311 -10.9999 -10.9999 -10.9613 -10.9613 1.7570 1.7570 2.8266 2.8266 7.4698 7.4698 8.3415 8.3415 8.5077 8.5077 8.9644 8.9644 9.8299 9.8299 10.3197 10.3197 13.5535 13.5535 13.6448 13.6448 13.8930 13.8930 k = 0.0000 0.0000 0.6358 ( 2844 PWs) bands (ev): -31.3798 -31.3798 -31.3657 -31.3657 -12.4586 -12.4586 -12.4136 -12.4136 -11.0701 -11.0701 -11.0292 -11.0292 -11.0003 -11.0003 -10.9566 -10.9566 1.6607 1.6607 2.9427 2.9427 7.3898 7.3898 8.4271 8.4271 8.4743 8.4743 9.0219 9.0219 9.7886 9.7886 10.3705 10.3705 13.5098 13.5098 13.5957 13.5957 13.8461 13.8461 k = 0.0000 0.0000 0.6181 ( 2838 PWs) bands (ev): -31.3811 -31.3811 -31.3647 -31.3647 -12.4615 -12.4615 -12.4091 -12.4091 -11.0730 -11.0730 -11.0288 -11.0288 -10.9989 -10.9989 -10.9520 -10.9520 1.5664 1.5664 3.0601 3.0601 7.3121 7.3121 8.4382 8.4382 8.5145 8.5145 9.0818 9.0818 9.7510 9.7510 10.4209 10.4209 13.4645 13.4645 13.5355 13.5355 13.8011 13.8011 k = 0.0000 0.0000 0.6005 ( 2842 PWs) bands (ev): -31.3825 -31.3825 -31.3638 -31.3638 -12.4643 -12.4643 -12.4046 -12.4046 -11.0758 -11.0758 -11.0296 -11.0296 -10.9960 -10.9960 -10.9473 -10.9473 1.4744 1.4744 3.1786 3.1786 7.2366 7.2366 8.4075 8.4075 8.5939 8.5939 9.1440 9.1440 9.7184 9.7184 10.4707 10.4707 13.4183 13.4183 13.4655 13.4655 13.7582 13.7582 k = 0.0000 0.0000 0.5828 ( 2842 PWs) bands (ev): -31.3838 -31.3838 -31.3629 -31.3629 -12.4670 -12.4670 -12.4000 -12.4000 -11.0786 -11.0786 -11.0312 -11.0312 -10.9918 -10.9918 -10.9425 -10.9425 1.3846 1.3846 3.2981 3.2981 7.1638 7.1638 8.3781 8.3781 8.6677 8.6677 9.2085 9.2085 9.6926 9.6926 10.5197 10.5197 13.3721 13.3721 13.3873 13.3873 13.7176 13.7176 k = 0.0000 0.0000 0.5652 ( 2842 PWs) bands (ev): -31.3852 -31.3852 -31.3620 -31.3620 -12.4695 -12.4695 -12.3954 -12.3954 -11.0813 -11.0813 -11.0331 -11.0331 -10.9870 -10.9870 -10.9378 -10.9378 1.2969 1.2969 3.4185 3.4185 7.0937 7.0937 8.3501 8.3501 8.7332 8.7332 9.2753 9.2753 9.6759 9.6759 10.5675 10.5675 13.3023 13.3023 13.3269 13.3269 13.6794 13.6794 k = 0.0000 0.0000 0.5475 ( 2842 PWs) bands (ev): -31.3866 -31.3866 -31.3612 -31.3612 -12.4719 -12.4719 -12.3908 -12.3908 -11.0841 -11.0841 -11.0350 -11.0350 -10.9816 -10.9816 -10.9330 -10.9330 1.2116 1.2116 3.5394 3.5394 7.0266 7.0266 8.3236 8.3236 8.7876 8.7876 9.3445 9.3445 9.6708 9.6708 10.6138 10.6138 13.2130 13.2130 13.2825 13.2825 13.6438 13.6438 k = 0.0000 0.0000 0.5298 ( 2849 PWs) bands (ev): -31.3879 -31.3879 -31.3604 -31.3604 -12.4742 -12.4742 -12.3861 -12.3861 -11.0869 -11.0869 -11.0369 -11.0369 -10.9760 -10.9760 -10.9282 -10.9282 1.1286 1.1286 3.6607 3.6607 6.9627 6.9627 8.2986 8.2986 8.8282 8.8282 9.4160 9.4160 9.6799 9.6799 10.6581 10.6581 13.1209 13.1209 13.2399 13.2399 13.6107 13.6107 k = 0.0000 0.0000 0.5122 ( 2857 PWs) bands (ev): -31.3893 -31.3893 -31.3596 -31.3596 -12.4764 -12.4764 -12.3814 -12.3814 -11.0897 -11.0897 -11.0384 -11.0384 -10.9702 -10.9702 -10.9233 -10.9233 1.0479 1.0479 3.7821 3.7821 6.9025 6.9025 8.2750 8.2750 8.8533 8.8533 9.4899 9.4899 9.7046 9.7046 10.6998 10.6998 13.0278 13.0278 13.1996 13.1996 13.5803 13.5803 k = 0.0000 0.0000 0.4945 ( 2857 PWs) bands (ev): -31.3907 -31.3907 -31.3589 -31.3589 -12.4784 -12.4784 -12.3767 -12.3767 -11.0926 -11.0926 -11.0397 -11.0397 -10.9644 -10.9644 -10.9183 -10.9183 0.9696 0.9696 3.9031 3.9031 6.8461 6.8461 8.2528 8.2528 8.8630 8.8630 9.5662 9.5662 9.7448 9.7448 10.7383 10.7383 12.9353 12.9353 13.1620 13.1620 13.5526 13.5526 k = 0.0000 0.0000 0.4768 ( 2855 PWs) bands (ev): -31.3920 -31.3920 -31.3582 -31.3582 -12.4804 -12.4804 -12.3720 -12.3720 -11.0957 -11.0957 -11.0406 -11.0406 -10.9587 -10.9587 -10.9132 -10.9132 0.8938 0.8938 4.0234 4.0234 6.7941 6.7941 8.2319 8.2319 8.8588 8.8588 9.6447 9.6447 9.7987 9.7987 10.7726 10.7726 12.8453 12.8453 13.1275 13.1275 13.5276 13.5276 k = 0.0000 0.0000 0.4592 ( 2855 PWs) bands (ev): -31.3934 -31.3934 -31.3576 -31.3576 -12.4822 -12.4822 -12.3674 -12.3674 -11.0988 -11.0988 -11.0412 -11.0412 -10.9530 -10.9530 -10.9080 -10.9080 0.8203 0.8203 4.1424 4.1424 6.7470 6.7470 8.2122 8.2122 8.8433 8.8433 9.7256 9.7256 9.8635 9.8635 10.8019 10.8019 12.7593 12.7593 13.0966 13.0966 13.5053 13.5053 k = 0.0000 0.0000 0.4415 ( 2847 PWs) bands (ev): -31.3947 -31.3947 -31.3570 -31.3570 -12.4839 -12.4839 -12.3627 -12.3627 -11.1020 -11.1020 -11.0413 -11.0413 -10.9475 -10.9475 -10.9026 -10.9026 0.7493 0.7493 4.2595 4.2595 6.7052 6.7052 8.1937 8.1937 8.8193 8.8193 9.8088 9.8088 9.9363 9.9363 10.8249 10.8249 12.6791 12.6791 13.0699 13.0699 13.4856 13.4856 k = 0.0000 0.0000 0.4239 ( 2853 PWs) bands (ev): -31.3960 -31.3960 -31.3564 -31.3564 -12.4856 -12.4856 -12.3582 -12.3582 -11.1052 -11.1052 -11.0412 -11.0412 -10.9422 -10.9422 -10.8971 -10.8971 0.6808 0.6808 4.3740 4.3740 6.6697 6.6697 8.1764 8.1764 8.7890 8.7890 9.8942 9.8942 10.0143 10.0143 10.8403 10.8403 12.6064 12.6064 13.0476 13.0476 13.4685 13.4685 k = 0.0000 0.0000 0.4062 ( 2853 PWs) bands (ev): -31.3973 -31.3973 -31.3558 -31.3558 -12.4871 -12.4871 -12.3537 -12.3537 -11.1085 -11.1085 -11.0407 -11.0407 -10.9372 -10.9372 -10.8913 -10.8913 0.6149 0.6149 4.4851 4.4851 6.6411 6.6411 8.1601 8.1601 8.7544 8.7544 9.9818 9.9818 10.0955 10.0955 10.8469 10.8469 12.5428 12.5428 13.0303 13.0303 13.4539 13.4539 k = 0.0000 0.0000 0.3885 ( 2861 PWs) bands (ev): -31.3985 -31.3985 -31.3553 -31.3553 -12.4886 -12.4886 -12.3493 -12.3493 -11.1119 -11.1119 -11.0399 -11.0399 -10.9325 -10.9325 -10.8855 -10.8855 0.5515 0.5515 4.5915 4.5915 6.6205 6.6205 8.1449 8.1449 8.7168 8.7168 10.0716 10.0716 10.1780 10.1780 10.8433 10.8433 12.4896 12.4896 13.0185 13.0185 13.4418 13.4418 k = 0.0000 0.0000 0.3709 ( 2861 PWs) bands (ev): -31.3998 -31.3998 -31.3549 -31.3549 -12.4899 -12.4899 -12.3450 -12.3450 -11.1152 -11.1152 -11.0388 -11.0388 -10.9281 -10.9281 -10.8794 -10.8794 0.4906 0.4906 4.6923 4.6923 6.6089 6.6089 8.1307 8.1307 8.6774 8.6774 10.1634 10.1634 10.2605 10.2605 10.8288 10.8288 12.4480 12.4480 13.0126 13.0126 13.4321 13.4321 k = 0.0000 0.0000 0.3532 ( 2861 PWs) bands (ev): -31.4010 -31.4010 -31.3544 -31.3544 -12.4912 -12.4912 -12.3408 -12.3408 -11.1185 -11.1185 -11.0375 -11.0375 -10.9240 -10.9240 -10.8733 -10.8733 0.4324 0.4324 4.7861 4.7861 6.6077 6.6077 8.1174 8.1174 8.6370 8.6370 10.2572 10.2572 10.3418 10.3418 10.8027 10.8027 12.4184 12.4184 13.0130 13.0130 13.4247 13.4247 k = 0.0000 0.0000 0.3356 ( 2861 PWs) bands (ev): -31.4021 -31.4021 -31.3540 -31.3540 -12.4924 -12.4924 -12.3368 -12.3368 -11.1217 -11.1217 -11.0361 -11.0361 -10.9202 -10.9202 -10.8671 -10.8671 0.3768 0.3768 4.8717 4.8717 6.6178 6.6178 8.1050 8.1050 8.5962 8.5962 10.3528 10.3528 10.4209 10.4209 10.7651 10.7651 12.4009 12.4009 13.0203 13.0203 13.4194 13.4194 k = 0.0000 0.0000 0.3179 ( 2865 PWs) bands (ev): -31.4033 -31.4033 -31.3536 -31.3536 -12.4935 -12.4935 -12.3329 -12.3329 -11.1249 -11.1249 -11.0344 -11.0344 -10.9167 -10.9167 -10.8609 -10.8609 0.3239 0.3239 4.9479 4.9479 6.6405 6.6405 8.0935 8.0935 8.5555 8.5555 10.4500 10.4500 10.4970 10.4970 10.7164 10.7164 12.3946 12.3946 13.0348 13.0348 13.4161 13.4161 k = 0.0000 0.0000 0.3002 ( 2861 PWs) bands (ev): -31.4043 -31.4043 -31.3533 -31.3533 -12.4946 -12.4946 -12.3291 -12.3291 -11.1280 -11.1280 -11.0326 -11.0326 -10.9135 -10.9135 -10.8547 -10.8547 0.2737 0.2737 5.0139 5.0139 6.6763 6.6763 8.0828 8.0828 8.5154 8.5154 10.5474 10.5474 10.5704 10.5704 10.6578 10.6578 12.3986 12.3986 13.0567 13.0567 13.4147 13.4147 k = 0.0000 0.0000 0.2826 ( 2861 PWs) bands (ev): -31.4054 -31.4054 -31.3529 -31.3529 -12.4956 -12.4956 -12.3254 -12.3254 -11.1310 -11.1310 -11.0308 -11.0308 -10.9105 -10.9105 -10.8486 -10.8486 0.2261 0.2261 5.0692 5.0692 6.7257 6.7257 8.0728 8.0728 8.4761 8.4761 10.5888 10.5888 10.6320 10.6320 10.6552 10.6552 12.4112 12.4112 13.0865 13.0865 13.4149 13.4149 k = 0.0000 0.0000 0.2649 ( 2857 PWs) bands (ev): -31.4064 -31.4064 -31.3526 -31.3526 -12.4965 -12.4965 -12.3220 -12.3220 -11.1339 -11.1339 -11.0288 -11.0288 -10.9078 -10.9078 -10.8426 -10.8426 0.1814 0.1814 5.1141 5.1141 6.7882 6.7882 8.0637 8.0637 8.4381 8.4381 10.5138 10.5138 10.6962 10.6962 10.7548 10.7548 12.4311 12.4311 13.1240 13.1240 13.4167 13.4167 k = 0.0000 0.0000 0.2473 ( 2861 PWs) bands (ev): -31.4073 -31.4073 -31.3524 -31.3524 -12.4974 -12.4974 -12.3187 -12.3187 -11.1367 -11.1367 -11.0269 -11.0269 -10.9053 -10.9053 -10.8367 -10.8367 0.1393 0.1393 5.1491 5.1491 6.8630 6.8630 8.0552 8.0552 8.4014 8.4014 10.4317 10.4317 10.7536 10.7536 10.8573 10.8573 12.4566 12.4566 13.1693 13.1693 13.4198 13.4198 k = 0.0000 0.0000 0.2296 ( 2857 PWs) bands (ev): -31.4082 -31.4082 -31.3521 -31.3521 -12.4981 -12.4981 -12.3156 -12.3156 -11.1393 -11.1393 -11.0249 -11.0249 -10.9030 -10.9030 -10.8311 -10.8311 0.1001 0.1001 5.1754 5.1754 6.9488 6.9488 8.0474 8.0474 8.3665 8.3665 10.3442 10.3442 10.8053 10.8053 10.9610 10.9610 12.4862 12.4862 13.2220 13.2220 13.4241 13.4241 k = 0.0000 0.0000 0.2119 ( 2861 PWs) bands (ev): -31.4091 -31.4091 -31.3519 -31.3519 -12.4989 -12.4989 -12.3127 -12.3127 -11.1418 -11.1418 -11.0229 -11.0229 -10.9009 -10.9009 -10.8257 -10.8257 0.0637 0.0637 5.1942 5.1942 7.0440 7.0440 8.0403 8.0403 8.3334 8.3334 10.2521 10.2521 10.8513 10.8513 11.0651 11.0651 12.5188 12.5188 13.2817 13.2817 13.4292 13.4292 k = 0.0000 0.0000 0.1943 ( 2865 PWs) bands (ev): -31.4098 -31.4098 -31.3517 -31.3517 -12.4995 -12.4995 -12.3100 -12.3100 -11.1441 -11.1441 -11.0210 -11.0210 -10.8991 -10.8991 -10.8206 -10.8206 0.0301 0.0301 5.2069 5.2069 7.1468 7.1468 8.0339 8.0339 8.3024 8.3024 10.1562 10.1562 10.8919 10.8919 11.1692 11.1692 12.5530 12.5530 13.3477 13.3477 13.4351 13.4351 k = 0.0000 0.0000 0.1766 ( 2873 PWs) bands (ev): -31.4106 -31.4106 -31.3515 -31.3515 -12.5001 -12.5001 -12.3076 -12.3076 -11.1462 -11.1462 -11.0192 -11.0192 -10.8974 -10.8974 -10.8159 -10.8159 -0.0007 -0.0007 5.2148 5.2148 7.2557 7.2557 8.0281 8.0281 8.2735 8.2735 10.0575 10.0575 10.9272 10.9272 11.2726 11.2726 12.5878 12.5878 13.4189 13.4189 13.4415 13.4415 k = 0.0000 0.0000 0.1589 ( 2869 PWs) bands (ev): -31.4112 -31.4112 -31.3513 -31.3513 -12.5007 -12.5007 -12.3053 -12.3053 -11.1481 -11.1481 -11.0175 -11.0175 -10.8959 -10.8959 -10.8115 -10.8115 -0.0285 -0.0285 5.2190 5.2190 7.3687 7.3687 8.0229 8.0229 8.2470 8.2470 9.9565 9.9565 10.9577 10.9577 11.3747 11.3747 12.6223 12.6223 13.4478 13.4478 13.4946 13.4946 k = 0.0000 0.0000 0.1413 ( 2865 PWs) bands (ev): -31.4118 -31.4118 -31.3512 -31.3512 -12.5012 -12.5012 -12.3032 -12.3032 -11.1499 -11.1499 -11.0158 -11.0158 -10.8945 -10.8945 -10.8074 -10.8074 -0.0535 -0.0535 5.2206 5.2206 7.4841 7.4841 8.0183 8.0183 8.2230 8.2230 9.8542 9.8542 10.9836 10.9836 11.4744 11.4744 12.6557 12.6557 13.4545 13.4545 13.5727 13.5727 k = 0.0000 0.0000 0.1236 ( 2861 PWs) bands (ev): -31.4123 -31.4123 -31.3510 -31.3510 -12.5016 -12.5016 -12.3014 -12.3014 -11.1515 -11.1515 -11.0144 -11.0144 -10.8934 -10.8934 -10.8038 -10.8038 -0.0756 -0.0756 5.2204 5.2204 7.6002 7.6002 8.0142 8.0142 8.2015 8.2015 9.7516 9.7516 11.0053 11.0053 11.5707 11.5707 12.6871 12.6871 13.4609 13.4609 13.6514 13.6514 k = 0.0000 0.0000 0.1060 ( 2861 PWs) bands (ev): -31.4128 -31.4128 -31.3509 -31.3509 -12.5020 -12.5020 -12.2998 -12.2998 -11.1528 -11.1528 -11.0130 -11.0130 -10.8924 -10.8924 -10.8006 -10.8006 -0.0948 -0.0948 5.2191 5.2191 7.7149 7.7149 8.0108 8.0108 8.1827 8.1827 9.6499 9.6499 11.0232 11.0232 11.6619 11.6619 12.7159 12.7159 13.4670 13.4670 13.7124 13.7124 k = 0.0000 0.0000 0.0883 ( 2863 PWs) bands (ev): -31.4132 -31.4132 -31.3508 -31.3508 -12.5023 -12.5023 -12.2985 -12.2985 -11.1540 -11.1540 -11.0119 -11.0119 -10.8916 -10.8916 -10.7979 -10.7979 -0.1110 -0.1110 5.2172 5.2172 7.8256 7.8256 8.0079 8.0079 8.1667 8.1667 9.5511 9.5511 11.0378 11.0378 11.7462 11.7462 12.7415 12.7415 13.4725 13.4725 13.6801 13.6801 k = 0.0000 0.0000 0.0706 ( 2867 PWs) bands (ev): -31.4135 -31.4135 -31.3508 -31.3508 -12.5025 -12.5025 -12.2974 -12.2974 -11.1550 -11.1550 -11.0109 -11.0109 -10.8909 -10.8909 -10.7956 -10.7956 -0.1243 -0.1243 5.2151 5.2151 7.9290 7.9290 8.0058 8.0058 8.1536 8.1536 9.4579 9.4579 11.0492 11.0492 11.8213 11.8213 12.7633 12.7633 13.4772 13.4772 13.6430 13.6430 k = 0.0000 0.0000 0.0530 ( 2863 PWs) bands (ev): -31.4138 -31.4138 -31.3507 -31.3507 -12.5027 -12.5027 -12.2965 -12.2965 -11.1557 -11.1557 -11.0102 -11.0102 -10.8903 -10.8903 -10.7938 -10.7938 -0.1347 -0.1347 5.2131 5.2131 8.0022 8.0022 8.0226 8.0226 8.1435 8.1435 9.3743 9.3743 11.0578 11.0578 11.8844 11.8844 12.7808 12.7808 13.4811 13.4811 13.6088 13.6088 k = 0.0000 0.0000 0.0353 ( 2863 PWs) bands (ev): -31.4139 -31.4139 -31.3507 -31.3507 -12.5029 -12.5029 -12.2959 -12.2959 -11.1562 -11.1562 -11.0096 -11.0096 -10.8900 -10.8900 -10.7926 -10.7926 -0.1421 -0.1421 5.2116 5.2116 8.0020 8.0020 8.0948 8.0948 8.1372 8.1372 9.3061 9.3061 11.0637 11.0637 11.9326 11.9326 12.7937 12.7937 13.4840 13.4840 13.5809 13.5809 k = 0.0000 0.0000 0.0177 ( 2859 PWs) bands (ev): -31.4140 -31.4140 -31.3507 -31.3507 -12.5030 -12.5030 -12.2955 -12.2955 -11.1566 -11.1566 -11.0093 -11.0093 -10.8897 -10.8897 -10.7918 -10.7918 -0.1465 -0.1465 5.2106 5.2106 8.0013 8.0013 8.1271 8.1271 8.1499 8.1499 9.2605 9.2605 11.0673 11.0673 11.9628 11.9628 12.8015 12.8015 13.4859 13.4859 13.5625 13.5625 k = 0.0000 0.0000 0.0000 ( 2855 PWs) bands (ev): -31.4141 -31.4141 -31.3506 -31.3506 -12.5030 -12.5030 -12.2954 -12.2954 -11.1567 -11.1567 -11.0092 -11.0092 -10.8897 -10.8897 -10.7915 -10.7915 -0.1480 -0.1480 5.2102 5.2102 8.0011 8.0011 8.1275 8.1275 8.1656 8.1656 9.2443 9.2443 11.0684 11.0684 11.9732 11.9732 12.8042 12.8042 13.4865 13.4865 13.5560 13.5560 k = 0.0000 0.0000 0.0000 ( 2855 PWs) bands (ev): -31.4141 -31.4141 -31.3506 -31.3506 -12.5030 -12.5030 -12.2954 -12.2954 -11.1567 -11.1567 -11.0092 -11.0092 -10.8897 -10.8897 -10.7915 -10.7915 -0.1480 -0.1480 5.2102 5.2102 8.0011 8.0011 8.1275 8.1275 8.1656 8.1656 9.2443 9.2443 11.0684 11.0684 11.9732 11.9732 12.8042 12.8042 13.4865 13.4865 13.5560 13.5560 k =-0.0167 0.0067-0.0000 ( 2859 PWs) bands (ev): -31.4140 -31.4140 -31.3507 -31.3507 -12.5029 -12.5029 -12.2956 -12.2956 -11.1565 -11.1565 -11.0092 -11.0092 -10.8897 -10.8897 -10.7917 -10.7917 -0.1472 -0.1472 5.2080 5.2080 8.0015 8.0015 8.1298 8.1298 8.1653 8.1653 9.2464 9.2464 11.0633 11.0633 11.9744 11.9744 12.8052 12.8052 13.4582 13.4582 13.5850 13.5850 k =-0.0333 0.0135 0.0000 ( 2865 PWs) bands (ev): -31.4139 -31.4139 -31.3508 -31.3508 -12.5025 -12.5025 -12.2960 -12.2960 -11.1560 -11.1560 -11.0091 -11.0091 -10.8899 -10.8899 -10.7924 -10.7924 -0.1448 -0.1448 5.2015 5.2015 8.0029 8.0029 8.1365 8.1365 8.1646 8.1646 9.2529 9.2529 11.0480 11.0480 11.9780 11.9780 12.8083 12.8083 13.4113 13.4113 13.6328 13.6328 k =-0.0500 0.0202-0.0000 ( 2869 PWs) bands (ev): -31.4138 -31.4138 -31.3510 -31.3510 -12.5019 -12.5019 -12.2967 -12.2967 -11.1551 -11.1551 -11.0090 -11.0090 -10.8901 -10.8901 -10.7934 -10.7934 -0.1408 -0.1408 5.1907 5.1907 8.0052 8.0052 8.1464 8.1464 8.1646 8.1646 9.2635 9.2635 11.0233 11.0233 11.9839 11.9839 12.8135 12.8135 13.3625 13.3625 13.6682 13.6682 k =-0.0667 0.0269-0.0000 ( 2873 PWs) bands (ev): -31.4135 -31.4135 -31.3513 -31.3513 -12.5010 -12.5010 -12.2976 -12.2976 -11.1538 -11.1538 -11.0088 -11.0088 -10.8905 -10.8905 -10.7948 -10.7948 -0.1353 -0.1353 5.1759 5.1759 8.0084 8.0084 8.1530 8.1530 8.1717 8.1717 9.2781 9.2781 10.9900 10.9900 11.9922 11.9922 12.8209 12.8209 13.3141 13.3141 13.6711 13.6711 k =-0.0833 0.0337 0.0000 ( 2875 PWs) bands (ev): -31.4131 -31.4131 -31.3516 -31.3516 -12.4999 -12.4999 -12.2989 -12.2989 -11.1522 -11.1522 -11.0086 -11.0086 -10.8909 -10.8909 -10.7966 -10.7966 -0.1282 -0.1282 5.1573 5.1573 8.0125 8.0125 8.1519 8.1519 8.1899 8.1899 9.2963 9.2963 10.9494 10.9494 12.0028 12.0028 12.8304 12.8304 13.2667 13.2667 13.6616 13.6616 k =-0.1000 0.0404-0.0000 ( 2879 PWs) bands (ev): -31.4127 -31.4127 -31.3520 -31.3520 -12.4986 -12.4986 -12.3004 -12.3004 -11.1503 -11.1503 -11.0083 -11.0083 -10.8915 -10.8915 -10.7987 -10.7987 -0.1197 -0.1197 5.1353 5.1353 8.0175 8.0175 8.1483 8.1483 8.2141 8.2141 9.3177 9.3177 10.9028 10.9028 12.0157 12.0157 12.8422 12.8422 13.2205 13.2205 13.6395 13.6395 k =-0.1167 0.0471 0.0000 ( 2879 PWs) bands (ev): -31.4122 -31.4122 -31.3525 -31.3525 -12.4970 -12.4970 -12.3022 -12.3022 -11.1480 -11.1480 -11.0080 -11.0080 -10.8922 -10.8922 -10.8013 -10.8013 -0.1099 -0.1099 5.1102 5.1102 8.0233 8.0233 8.1437 8.1437 8.2424 8.2424 9.3419 9.3419 10.8516 10.8516 12.0308 12.0308 12.8563 12.8563 13.1757 13.1757 13.6039 13.6039 k =-0.1333 0.0538-0.0000 ( 2885 PWs) bands (ev): -31.4117 -31.4117 -31.3531 -31.3531 -12.4953 -12.4953 -12.3042 -12.3042 -11.1455 -11.1455 -11.0076 -11.0076 -10.8930 -10.8930 -10.8041 -10.8041 -0.0987 -0.0987 5.0824 5.0824 8.0298 8.0298 8.1383 8.1383 8.2743 8.2743 9.3681 9.3681 10.7971 10.7971 12.0480 12.0480 12.8727 12.8727 13.1324 13.1324 13.5556 13.5556 k =-0.1500 0.0606 0.0000 ( 2881 PWs) bands (ev): -31.4111 -31.4111 -31.3537 -31.3537 -12.4932 -12.4932 -12.3064 -12.3064 -11.1426 -11.1426 -11.0073 -11.0073 -10.8939 -10.8939 -10.8072 -10.8072 -0.0864 -0.0864 5.0524 5.0524 8.0371 8.0371 8.1323 8.1323 8.3094 8.3094 9.3957 9.3957 10.7410 10.7410 12.0674 12.0674 12.8914 12.8914 13.0907 13.0907 13.4974 13.4974 k =-0.1667 0.0673 0.0000 ( 2885 PWs) bands (ev): -31.4104 -31.4104 -31.3544 -31.3544 -12.4910 -12.4910 -12.3089 -12.3089 -11.1394 -11.1394 -11.0068 -11.0068 -10.8949 -10.8949 -10.8106 -10.8106 -0.0730 -0.0730 5.0205 5.0205 8.0450 8.0450 8.1258 8.1258 8.3474 8.3474 9.4237 9.4237 10.6843 10.6843 12.0888 12.0888 12.9123 12.9123 13.0509 13.0509 13.4325 13.4325 k =-0.1833 0.0740 0.0000 ( 2889 PWs) bands (ev): -31.4096 -31.4096 -31.3552 -31.3552 -12.4886 -12.4886 -12.3116 -12.3116 -11.1359 -11.1359 -11.0064 -11.0064 -10.8961 -10.8961 -10.8142 -10.8142 -0.0588 -0.0588 4.9872 4.9872 8.0534 8.0534 8.1189 8.1189 8.3879 8.3879 9.4511 9.4511 10.6285 10.6285 12.1120 12.1120 12.9352 12.9352 13.0132 13.0132 13.3642 13.3642 k =-0.2000 0.0808-0.0000 ( 2879 PWs) bands (ev): -31.4088 -31.4088 -31.3560 -31.3560 -12.4860 -12.4860 -12.3145 -12.3145 -11.1321 -11.1321 -11.0059 -11.0059 -10.8974 -10.8974 -10.8180 -10.8180 -0.0437 -0.0437 4.9528 4.9528 8.0624 8.0624 8.1117 8.1117 8.4308 8.4308 9.4769 9.4769 10.5746 10.5746 12.1370 12.1370 12.9555 12.9555 12.9821 12.9821 13.2953 13.2953 k =-0.2167 0.0875 0.0000 ( 2877 PWs) bands (ev): -31.4079 -31.4079 -31.3569 -31.3569 -12.4831 -12.4831 -12.3177 -12.3177 -11.1281 -11.1281 -11.0054 -11.0054 -10.8989 -10.8989 -10.8219 -10.8219 -0.0279 -0.0279 4.9178 4.9178 8.0717 8.0717 8.1043 8.1043 8.4756 8.4756 9.5000 9.5000 10.5236 10.5236 12.1637 12.1637 12.9368 12.9368 12.9940 12.9940 13.2287 13.2287 k =-0.2333 0.0942 0.0000 ( 2873 PWs) bands (ev): -31.4070 -31.4070 -31.3578 -31.3578 -12.4801 -12.4801 -12.3209 -12.3209 -11.1238 -11.1238 -11.0049 -11.0049 -10.9006 -10.9006 -10.8260 -10.8260 -0.0117 -0.0117 4.8826 4.8826 8.0813 8.0813 8.0968 8.0968 8.5221 8.5221 9.5195 9.5195 10.4762 10.4762 12.1918 12.1918 12.9050 12.9050 13.0225 13.0225 13.1669 13.1669 k =-0.2500 0.1010 0.0000 ( 2881 PWs) bands (ev): -31.4060 -31.4060 -31.3588 -31.3588 -12.4770 -12.4770 -12.3244 -12.3244 -11.1194 -11.1194 -11.0043 -11.0043 -10.9025 -10.9025 -10.8300 -10.8300 0.0048 0.0048 4.8475 4.8475 8.0890 8.0890 8.0913 8.0913 8.5701 8.5701 9.5344 9.5344 10.4327 10.4327 12.2212 12.2212 12.8740 12.8740 13.0508 13.0508 13.1148 13.1148 k =-0.2667 0.1077-0.0000 ( 2875 PWs) bands (ev): -31.4050 -31.4050 -31.3598 -31.3598 -12.4737 -12.4737 -12.3280 -12.3280 -11.1147 -11.1147 -11.0038 -11.0038 -10.9046 -10.9046 -10.8341 -10.8341 0.0215 0.0215 4.8129 4.8129 8.0816 8.0816 8.1011 8.1011 8.6191 8.6191 9.5444 9.5444 10.3933 10.3933 12.2517 12.2517 12.8447 12.8447 13.0488 13.0488 13.1033 13.1033 k =-0.2833 0.1144-0.0000 ( 2875 PWs) bands (ev): -31.4040 -31.4040 -31.3608 -31.3608 -12.4703 -12.4703 -12.3318 -12.3318 -11.1099 -11.1099 -11.0032 -11.0032 -10.9069 -10.9069 -10.8380 -10.8380 0.0381 0.0381 4.7791 4.7791 8.0741 8.0741 8.1110 8.1110 8.6688 8.6688 9.5495 9.5495 10.3573 10.3573 12.2830 12.2830 12.8173 12.8173 13.0155 13.0155 13.1348 13.1348 k =-0.3000 0.1212 0.0000 ( 2871 PWs) bands (ev): -31.4029 -31.4029 -31.3619 -31.3619 -12.4667 -12.4667 -12.3356 -12.3356 -11.1050 -11.1050 -11.0027 -11.0027 -10.9095 -10.9095 -10.8418 -10.8418 0.0546 0.0546 4.7464 4.7464 8.0669 8.0669 8.1208 8.1208 8.7188 8.7188 9.5502 9.5502 10.3240 10.3240 12.3149 12.3149 12.7917 12.7917 12.9885 12.9885 13.1725 13.1725 k =-0.3167 0.1279-0.0000 ( 2871 PWs) bands (ev): -31.4018 -31.4018 -31.3630 -31.3630 -12.4631 -12.4631 -12.3395 -12.3395 -11.1001 -11.1001 -11.0021 -11.0021 -10.9124 -10.9124 -10.8454 -10.8454 0.0706 0.0706 4.7152 4.7152 8.0599 8.0599 8.1303 8.1303 8.7685 8.7685 9.5478 9.5478 10.2920 10.2920 12.3472 12.3472 12.7681 12.7681 12.9725 12.9725 13.2123 13.2123 k =-0.3333 0.1346 0.0000 ( 2865 PWs) bands (ev): -31.4007 -31.4007 -31.3641 -31.3641 -12.4594 -12.4594 -12.3435 -12.3435 -11.0951 -11.0951 -11.0015 -11.0015 -10.9154 -10.9154 -10.8487 -10.8487 0.0859 0.0859 4.6857 4.6857 8.0533 8.0533 8.1395 8.1395 8.8172 8.8172 9.5436 9.5436 10.2600 10.2600 12.3794 12.3794 12.7465 12.7465 12.9686 12.9686 13.2535 13.2535 k =-0.3500 0.1413-0.0000 ( 2863 PWs) bands (ev): -31.3996 -31.3996 -31.3652 -31.3652 -12.4557 -12.4557 -12.3474 -12.3474 -11.0902 -11.0902 -11.0010 -11.0010 -10.9187 -10.9187 -10.8517 -10.8517 0.1006 0.1006 4.6581 4.6581 8.0471 8.0471 8.1482 8.1482 8.8642 8.8642 9.5395 9.5395 10.2268 10.2268 12.4112 12.4112 12.7269 12.7269 12.9770 12.9770 13.2952 13.2952 k =-0.3667 0.1481 0.0000 ( 2863 PWs) bands (ev): -31.3985 -31.3985 -31.3663 -31.3663 -12.4520 -12.4520 -12.3514 -12.3514 -11.0853 -11.0853 -11.0004 -11.0004 -10.9221 -10.9221 -10.8544 -10.8544 0.1142 0.1142 4.6327 4.6327 8.0414 8.0414 8.1564 8.1564 8.9083 8.9083 9.5372 9.5372 10.1916 10.1916 12.4422 12.4422 12.7093 12.7093 12.9973 12.9973 13.3365 13.3365 k =-0.3833 0.1548 0.0000 ( 2859 PWs) bands (ev): -31.3974 -31.3974 -31.3674 -31.3674 -12.4483 -12.4483 -12.3552 -12.3552 -11.0807 -11.0807 -10.9998 -10.9998 -10.9256 -10.9256 -10.8568 -10.8568 0.1267 0.1267 4.6098 4.6098 8.0362 8.0362 8.1638 8.1638 8.9485 8.9485 9.5387 9.5387 10.1539 10.1539 12.4719 12.4719 12.6938 12.6938 13.0287 13.0287 13.3360 13.3360 k =-0.4000 0.1615-0.0000 ( 2859 PWs) bands (ev): -31.3964 -31.3964 -31.3684 -31.3684 -12.4448 -12.4448 -12.3589 -12.3589 -11.0763 -11.0763 -10.9993 -10.9993 -10.9291 -10.9291 -10.8588 -10.8588 0.1379 0.1379 4.5895 4.5895 8.0316 8.0316 8.1705 8.1705 8.9837 8.9837 9.5455 9.5455 10.1136 10.1136 12.4998 12.4998 12.6805 12.6805 13.0694 13.0694 13.2984 13.2984 k =-0.4167 0.1683 0.0000 ( 2857 PWs) bands (ev): -31.3955 -31.3955 -31.3693 -31.3693 -12.4415 -12.4415 -12.3624 -12.3624 -11.0723 -11.0723 -10.9988 -10.9988 -10.9325 -10.9325 -10.8605 -10.8605 0.1476 0.1476 4.5720 4.5720 8.0276 8.0276 8.1764 8.1764 9.0129 9.0129 9.5584 9.5584 10.0714 10.0714 12.5252 12.5252 12.6692 12.6692 13.1170 13.1170 13.2650 13.2650 k =-0.4333 0.1750-0.0000 ( 2849 PWs) bands (ev): -31.3946 -31.3946 -31.3702 -31.3702 -12.4385 -12.4385 -12.3655 -12.3655 -11.0688 -11.0688 -10.9983 -10.9983 -10.9356 -10.9356 -10.8618 -10.8618 0.1558 0.1558 4.5575 4.5575 8.0243 8.0243 8.1812 8.1812 9.0358 9.0358 9.5774 9.5774 10.0283 10.0283 12.5475 12.5475 12.6601 12.6601 13.1679 13.1679 13.2369 13.2369 k =-0.4500 0.1817-0.0000 ( 2849 PWs) bands (ev): -31.3939 -31.3939 -31.3709 -31.3709 -12.4360 -12.4360 -12.3682 -12.3682 -11.0659 -11.0659 -10.9978 -10.9978 -10.9382 -10.9382 -10.8629 -10.8629 0.1622 0.1622 4.5461 4.5461 8.0217 8.0217 8.1851 8.1851 9.0525 9.0525 9.6010 9.6010 9.9864 9.9864 12.5658 12.5658 12.6532 12.6532 13.2060 13.2060 13.2263 13.2263 k =-0.4667 0.1885 0.0000 ( 2845 PWs) bands (ev): -31.3934 -31.3934 -31.3714 -31.3714 -12.4340 -12.4340 -12.3702 -12.3702 -11.0637 -11.0637 -10.9975 -10.9975 -10.9402 -10.9402 -10.8636 -10.8636 0.1669 0.1669 4.5379 4.5379 8.0198 8.0198 8.1879 8.1879 9.0636 9.0636 9.6258 9.6258 9.9488 9.9488 12.5793 12.5793 12.6485 12.6485 13.1938 13.1938 13.2655 13.2655 k =-0.4833 0.1952-0.0000 ( 2849 PWs) bands (ev): -31.3930 -31.3930 -31.3718 -31.3718 -12.4327 -12.4327 -12.3715 -12.3715 -11.0624 -11.0624 -10.9973 -10.9973 -10.9415 -10.9415 -10.8640 -10.8640 0.1698 0.1698 4.5329 4.5329 8.0187 8.0187 8.1896 8.1896 9.0699 9.0699 9.6461 9.6461 9.9211 9.9211 12.5876 12.5876 12.6459 12.6459 13.1836 13.1836 13.2957 13.2957 k =-0.5000 0.2019 0.0000 ( 2844 PWs) bands (ev): -31.3929 -31.3929 -31.3719 -31.3719 -12.4323 -12.4323 -12.3720 -12.3720 -11.0619 -11.0619 -10.9972 -10.9972 -10.9419 -10.9419 -10.8642 -10.8642 0.1707 0.1707 4.5312 4.5312 8.0183 8.0183 8.1902 8.1902 9.0720 9.0720 9.6542 9.6542 9.9106 9.9106 12.5904 12.5904 12.6451 12.6451 13.1801 13.1801 13.3067 13.3067 k =-0.5000 0.2019 0.0000 ( 2844 PWs) bands (ev): -31.3929 -31.3929 -31.3719 -31.3719 -12.4323 -12.4323 -12.3720 -12.3720 -11.0619 -11.0619 -10.9972 -10.9972 -10.9419 -10.9419 -10.8642 -10.8642 0.1707 0.1707 4.5312 4.5312 8.0183 8.0183 8.1902 8.1902 9.0720 9.0720 9.6542 9.6542 9.9106 9.9106 12.5904 12.5904 12.6451 12.6451 13.1801 13.1801 13.3067 13.3067 k =-0.4933 0.2186-0.0000 ( 2854 PWs) bands (ev): -31.3929 -31.3929 -31.3719 -31.3719 -12.4323 -12.4323 -12.3721 -12.3721 -11.0621 -11.0621 -10.9973 -10.9973 -10.9418 -10.9418 -10.8642 -10.8642 0.1713 0.1713 4.5329 4.5329 8.0177 8.0177 8.1844 8.1844 9.0725 9.0725 9.6586 9.6586 9.9116 9.9116 12.5906 12.5906 12.6466 12.6466 13.1227 13.1227 13.3419 13.3419 k =-0.4865 0.2354-0.0000 ( 2850 PWs) bands (ev): -31.3928 -31.3928 -31.3719 -31.3719 -12.4323 -12.4323 -12.3723 -12.3723 -11.0625 -11.0625 -10.9976 -10.9976 -10.9413 -10.9413 -10.8643 -10.8643 0.1731 0.1731 4.5381 4.5381 8.0158 8.0158 8.1674 8.1674 9.0741 9.0741 9.6714 9.6714 9.9146 9.9146 12.5914 12.5914 12.6513 12.6513 13.0158 13.0158 13.3832 13.3832 k =-0.4798 0.2521-0.0000 ( 2852 PWs) bands (ev): -31.3927 -31.3927 -31.3720 -31.3720 -12.4324 -12.4324 -12.3728 -12.3728 -11.0631 -11.0631 -10.9982 -10.9982 -10.9406 -10.9406 -10.8645 -10.8645 0.1760 0.1760 4.5467 4.5467 8.0126 8.0126 8.1398 8.1398 9.0767 9.0767 9.6922 9.6922 9.9195 9.9195 12.5926 12.5926 12.6591 12.6591 12.8936 12.8936 13.4005 13.4005 k =-0.4730 0.2688-0.0000 ( 2852 PWs) bands (ev): -31.3925 -31.3925 -31.3721 -31.3721 -12.4324 -12.4324 -12.3734 -12.3734 -11.0640 -11.0640 -10.9989 -10.9989 -10.9397 -10.9397 -10.8648 -10.8648 0.1801 0.1801 4.5587 4.5587 8.0082 8.0082 8.1026 8.1026 9.0803 9.0803 9.7200 9.7200 9.9263 9.9263 12.5940 12.5940 12.6699 12.6699 12.7648 12.7648 13.3907 13.3907 k =-0.4663 0.2855-0.0000 ( 2858 PWs) bands (ev): -31.3923 -31.3923 -31.3722 -31.3722 -12.4325 -12.4325 -12.3742 -12.3742 -11.0651 -11.0651 -10.9999 -10.9999 -10.9385 -10.9385 -10.8651 -10.8651 0.1853 0.1853 4.5741 4.5741 8.0025 8.0025 8.0568 8.0568 9.0850 9.0850 9.7538 9.7538 9.9346 9.9346 12.5919 12.5919 12.6348 12.6348 12.6855 12.6855 13.3551 13.3551 k =-0.4595 0.3022-0.0000 ( 2862 PWs) bands (ev): -31.3921 -31.3921 -31.3724 -31.3724 -12.4326 -12.4326 -12.3752 -12.3752 -11.0664 -11.0664 -11.0010 -11.0010 -10.9371 -10.9371 -10.8655 -10.8655 0.1916 0.1916 4.5929 4.5929 7.9934 7.9934 8.0061 8.0061 9.0906 9.0906 9.7928 9.7928 9.9443 9.9443 12.4927 12.4927 12.6037 12.6037 12.7019 12.7019 13.3005 13.3005 k =-0.4528 0.3189-0.0000 ( 2854 PWs) bands (ev): -31.3918 -31.3918 -31.3725 -31.3725 -12.4327 -12.4327 -12.3763 -12.3763 -11.0678 -11.0678 -11.0022 -11.0022 -10.9356 -10.9356 -10.8659 -10.8659 0.1990 0.1990 4.6149 4.6149 7.9425 7.9425 7.9897 7.9897 9.0972 9.0972 9.8358 9.8358 9.9551 9.9551 12.3598 12.3598 12.6072 12.6072 12.7219 12.7219 13.2349 13.2349 k =-0.4460 0.3356-0.0000 ( 2850 PWs) bands (ev): -31.3914 -31.3914 -31.3727 -31.3727 -12.4328 -12.4328 -12.3776 -12.3776 -11.0694 -11.0694 -11.0037 -11.0037 -10.9339 -10.9339 -10.8663 -10.8663 0.2074 0.2074 4.6402 4.6402 7.8779 7.8779 7.9808 7.9808 9.1047 9.1047 9.8821 9.8821 9.9665 9.9665 12.2277 12.2277 12.6128 12.6128 12.7446 12.7446 13.1631 13.1631 k =-0.4393 0.3523-0.0000 ( 2846 PWs) bands (ev): -31.3911 -31.3911 -31.3730 -31.3730 -12.4329 -12.4329 -12.3790 -12.3790 -11.0712 -11.0712 -11.0052 -11.0052 -10.9322 -10.9322 -10.8667 -10.8667 0.2168 0.2168 4.6687 4.6687 7.8086 7.8086 7.9714 7.9714 9.1131 9.1131 9.9309 9.9309 9.9780 9.9780 12.0982 12.0982 12.6199 12.6199 12.7699 12.7699 13.0875 13.0875 k =-0.4325 0.3690-0.0000 ( 2850 PWs) bands (ev): -31.3906 -31.3906 -31.3732 -31.3732 -12.4330 -12.4330 -12.3806 -12.3806 -11.0731 -11.0731 -11.0070 -11.0070 -10.9304 -10.9304 -10.8671 -10.8671 0.2271 0.2271 4.7003 4.7003 7.7356 7.7356 7.9613 7.9613 9.1223 9.1223 9.9803 9.9803 9.9902 9.9902 11.9727 11.9727 12.6287 12.6287 12.7973 12.7973 13.0101 13.0101 k =-0.4258 0.3858-0.0000 ( 2854 PWs) bands (ev): -31.3902 -31.3902 -31.3735 -31.3735 -12.4331 -12.4331 -12.3823 -12.3823 -11.0750 -11.0750 -11.0088 -11.0088 -10.9286 -10.9286 -10.8676 -10.8676 0.2383 0.2383 4.7350 4.7350 7.6598 7.6598 7.9506 7.9506 9.1323 9.1323 9.9969 9.9969 10.0351 10.0351 11.8524 11.8524 12.6391 12.6391 12.8263 12.8263 12.9327 12.9327 k =-0.4190 0.4025-0.0000 ( 2850 PWs) bands (ev): -31.3896 -31.3896 -31.3738 -31.3738 -12.4332 -12.4332 -12.3842 -12.3842 -11.0770 -11.0770 -11.0108 -11.0108 -10.9267 -10.9267 -10.8679 -10.8679 0.2502 0.2502 4.7726 4.7726 7.5817 7.5817 7.9395 7.9395 9.1431 9.1431 10.0034 10.0034 10.0885 10.0885 11.7387 11.7387 12.6506 12.6506 12.8431 12.8431 12.8700 12.8700 k =-0.4123 0.4192-0.0000 ( 2850 PWs) bands (ev): -31.3891 -31.3891 -31.3742 -31.3742 -12.4333 -12.4333 -12.3862 -12.3862 -11.0790 -11.0790 -11.0129 -11.0129 -10.9250 -10.9250 -10.8682 -10.8682 0.2628 0.2628 4.8131 4.8131 7.5020 7.5020 7.9279 7.9279 9.1546 9.1546 10.0057 10.0057 10.1430 10.1430 11.6331 11.6331 12.6611 12.6611 12.7786 12.7786 12.8940 12.8940 k =-0.4055 0.4359-0.0000 ( 2846 PWs) bands (ev): -31.3885 -31.3885 -31.3745 -31.3745 -12.4334 -12.4334 -12.3883 -12.3883 -11.0810 -11.0810 -11.0151 -11.0151 -10.9232 -10.9232 -10.8684 -10.8684 0.2761 0.2761 4.8563 4.8563 7.4210 7.4210 7.9161 7.9161 9.1667 9.1667 10.0022 10.0022 10.1981 10.1981 11.5373 11.5373 12.6548 12.6548 12.7259 12.7259 12.9268 12.9268 k =-0.3988 0.4526-0.0000 ( 2850 PWs) bands (ev): -31.3879 -31.3879 -31.3749 -31.3749 -12.4334 -12.4334 -12.3905 -12.3905 -11.0830 -11.0830 -11.0175 -11.0175 -10.9216 -10.9216 -10.8685 -10.8685 0.2899 0.2899 4.9021 4.9021 7.3392 7.3392 7.9041 7.9041 9.1794 9.1794 9.9915 9.9915 10.2538 10.2538 11.4529 11.4529 12.6017 12.6017 12.7227 12.7227 12.8922 12.8922 k =-0.3920 0.4693-0.0000 ( 2854 PWs) bands (ev): -31.3872 -31.3872 -31.3754 -31.3754 -12.4334 -12.4334 -12.3928 -12.3928 -11.0850 -11.0850 -11.0200 -11.0200 -10.9201 -10.9201 -10.8685 -10.8685 0.3042 0.3042 4.9504 4.9504 7.2571 7.2571 7.8920 7.8920 9.1926 9.1926 9.9718 9.9718 10.3099 10.3099 11.3815 11.3815 12.5324 12.5324 12.7364 12.7364 12.8399 12.8399 k =-0.3853 0.4860-0.0000 ( 2852 PWs) bands (ev): -31.3865 -31.3865 -31.3758 -31.3758 -12.4334 -12.4334 -12.3951 -12.3951 -11.0869 -11.0869 -11.0225 -11.0225 -10.9187 -10.9187 -10.8683 -10.8683 0.3188 0.3188 5.0011 5.0011 7.1750 7.1750 7.8801 7.8801 9.2063 9.2063 9.9418 9.9418 10.3663 10.3663 11.3245 11.3245 12.4619 12.4619 12.7368 12.7368 12.8091 12.8091 k =-0.3785 0.5027-0.0000 ( 2848 PWs) bands (ev): -31.3858 -31.3858 -31.3763 -31.3763 -12.4333 -12.4333 -12.3975 -12.3975 -11.0887 -11.0887 -11.0252 -11.0252 -10.9175 -10.9175 -10.8679 -10.8679 0.3337 0.3337 5.0540 5.0540 7.0932 7.0932 7.8683 7.8683 9.2205 9.2205 9.9009 9.9009 10.4229 10.4229 11.2822 11.2822 12.3928 12.3928 12.7015 12.7015 12.8205 12.8205 k =-0.3718 0.5195-0.0000 ( 2848 PWs) bands (ev): -31.3851 -31.3851 -31.3768 -31.3768 -12.4333 -12.4333 -12.4000 -12.4000 -11.0905 -11.0905 -11.0279 -11.0279 -10.9165 -10.9165 -10.8674 -10.8674 0.3487 0.3487 5.1089 5.1089 7.0122 7.0122 7.8569 7.8569 9.2349 9.2349 9.8492 9.8492 10.4799 10.4799 11.2544 11.2544 12.3257 12.3257 12.6547 12.6547 12.8501 12.8501 k =-0.3650 0.5362-0.0000 ( 2848 PWs) bands (ev): -31.3843 -31.3843 -31.3773 -31.3773 -12.4332 -12.4332 -12.4024 -12.4024 -11.0922 -11.0922 -11.0307 -11.0307 -10.9158 -10.9158 -10.8667 -10.8667 0.3637 0.3637 5.1656 5.1656 6.9321 6.9321 7.8458 7.8458 9.2496 9.2496 9.7876 9.7876 10.5371 10.5371 11.2397 11.2397 12.2611 12.2611 12.6084 12.6084 12.8863 12.8863 k =-0.3583 0.5529-0.0000 ( 2840 PWs) bands (ev): -31.3835 -31.3835 -31.3779 -31.3779 -12.4331 -12.4331 -12.4048 -12.4048 -11.0937 -11.0937 -11.0336 -11.0336 -10.9152 -10.9152 -10.8657 -10.8657 0.3787 0.3787 5.2240 5.2240 6.8533 6.8533 7.8353 7.8353 9.2645 9.2645 9.7176 9.7176 10.5947 10.5947 11.2364 11.2364 12.1992 12.1992 12.5653 12.5653 12.9268 12.9268 k =-0.3515 0.5696-0.0000 ( 2840 PWs) bands (ev): -31.3827 -31.3827 -31.3785 -31.3785 -12.4330 -12.4330 -12.4071 -12.4071 -11.0952 -11.0952 -11.0365 -11.0365 -10.9148 -10.9148 -10.8645 -10.8645 0.3934 0.3934 5.2837 5.2837 6.7761 6.7761 7.8253 7.8253 9.2796 9.2796 9.6410 9.6410 10.6526 10.6526 11.2420 11.2420 12.1401 12.1401 12.5269 12.5269 12.9708 12.9708 k =-0.3448 0.5863-0.0000 ( 2848 PWs) bands (ev): -31.3819 -31.3819 -31.3791 -31.3791 -12.4331 -12.4331 -12.4094 -12.4094 -11.0965 -11.0965 -11.0393 -11.0393 -10.9147 -10.9147 -10.8632 -10.8632 0.4078 0.4078 5.3446 5.3446 6.7007 6.7007 7.8161 7.8161 9.2946 9.2946 9.5596 9.5596 10.7110 10.7110 11.2540 11.2540 12.0840 12.0840 12.4941 12.4941 13.0175 13.0175 k =-0.3380 0.6030-0.0000 ( 2844 PWs) bands (ev): -31.3810 -31.3810 -31.3797 -31.3797 -12.4332 -12.4332 -12.4113 -12.4113 -11.0978 -11.0978 -11.0422 -11.0422 -10.9148 -10.9148 -10.8616 -10.8616 0.4217 0.4217 5.4064 5.4064 6.6275 6.6275 7.8076 7.8076 9.3097 9.3097 9.4752 9.4752 10.7699 10.7699 11.2701 11.2701 12.0309 12.0309 12.4682 12.4682 13.0639 13.0639 k =-0.3313 0.6197-0.0000 ( 2852 PWs) bands (ev): -31.3804 -31.3804 -31.3801 -31.3801 -12.4337 -12.4337 -12.4130 -12.4130 -11.0990 -11.0990 -11.0449 -11.0449 -10.9151 -10.9151 -10.8599 -10.8599 0.4351 0.4351 5.4686 5.4686 6.5566 6.5566 7.7999 7.7999 9.3243 9.3243 9.3896 9.3896 10.8294 10.8294 11.2877 11.2877 11.9810 11.9810 12.4501 12.4501 13.0766 13.0766 k =-0.3245 0.6364-0.0000 ( 2850 PWs) bands (ev): -31.3811 -31.3811 -31.3793 -31.3793 -12.4344 -12.4344 -12.4142 -12.4142 -11.1000 -11.1000 -11.0476 -11.0476 -10.9155 -10.9155 -10.8580 -10.8580 0.4476 0.4476 5.5310 5.5310 6.4884 6.4884 7.7932 7.7932 9.3014 9.3014 9.3410 9.3410 10.8896 10.8896 11.3046 11.3046 11.9343 11.9343 12.4410 12.4410 13.0484 13.0484 k =-0.3178 0.6531-0.0000 ( 2850 PWs) bands (ev): -31.3818 -31.3818 -31.3784 -31.3784 -12.4355 -12.4355 -12.4149 -12.4149 -11.1011 -11.1011 -11.0502 -11.0502 -10.9161 -10.9161 -10.8560 -10.8560 0.4594 0.4594 5.5932 5.5932 6.4231 6.4231 7.7874 7.7874 9.2170 9.2170 9.3547 9.3547 10.9506 10.9506 11.3190 11.3190 11.8908 11.8908 12.4417 12.4417 13.0099 13.0099 k =-0.3110 0.6699-0.0000 ( 2842 PWs) bands (ev): -31.3825 -31.3825 -31.3774 -31.3774 -12.4370 -12.4370 -12.4151 -12.4151 -11.1020 -11.1020 -11.0525 -11.0525 -10.9169 -10.9169 -10.8539 -10.8539 0.4701 0.4701 5.6548 5.6548 6.3610 6.3610 7.7826 7.7826 9.1338 9.1338 9.3689 9.3689 11.0124 11.0124 11.3292 11.3292 11.8507 11.8507 12.4530 12.4530 12.9650 12.9650 k =-0.3043 0.6866-0.0000 ( 2838 PWs) bands (ev): -31.3833 -31.3833 -31.3765 -31.3765 -12.4388 -12.4388 -12.4147 -12.4147 -11.1030 -11.1030 -11.0547 -11.0547 -10.9178 -10.9178 -10.8517 -10.8517 0.4797 0.4797 5.7151 5.7151 6.3022 6.3022 7.7790 7.7790 9.0535 9.0535 9.3828 9.3828 11.0752 11.0752 11.3343 11.3343 11.8140 11.8140 12.4751 12.4751 12.9155 12.9155 k =-0.2975 0.7033-0.0000 ( 2832 PWs) bands (ev): -31.3840 -31.3840 -31.3756 -31.3756 -12.4409 -12.4409 -12.4139 -12.4139 -11.1040 -11.1040 -11.0566 -11.0566 -10.9188 -10.9188 -10.8494 -10.8494 0.4880 0.4880 5.7737 5.7737 6.2471 6.2471 7.7764 7.7764 8.9771 8.9771 9.3962 9.3962 11.1390 11.1390 11.3337 11.3337 11.7807 11.7807 12.5076 12.5076 12.8628 12.8628 k =-0.2908 0.7200-0.0000 ( 2822 PWs) bands (ev): -31.3848 -31.3848 -31.3747 -31.3747 -12.4432 -12.4432 -12.4128 -12.4128 -11.1050 -11.1050 -11.0582 -11.0582 -10.9199 -10.9199 -10.8471 -10.8471 0.4949 0.4949 5.8299 5.8299 6.1958 6.1958 7.7749 7.7749 8.9055 8.9055 9.4091 9.4091 11.2036 11.2036 11.3277 11.3277 11.7508 11.7508 12.5499 12.5499 12.8080 12.8080 k =-0.2908 0.7200-0.0000 ( 2822 PWs) bands (ev): -31.3848 -31.3848 -31.3747 -31.3747 -12.4432 -12.4432 -12.4128 -12.4128 -11.1050 -11.1050 -11.0582 -11.0582 -10.9199 -10.9199 -10.8471 -10.8471 0.4949 0.4949 5.8299 5.8299 6.1958 6.1958 7.7749 7.7749 8.9055 8.9055 9.4091 9.4091 11.2036 11.2036 11.3277 11.3277 11.7508 11.7508 12.5499 12.5499 12.8080 12.8080 k =-0.2908 0.7200 0.0177 ( 2826 PWs) bands (ev): -31.3848 -31.3848 -31.3747 -31.3747 -12.4433 -12.4433 -12.4128 -12.4128 -11.1052 -11.1052 -11.0581 -11.0581 -10.9201 -10.9201 -10.8472 -10.8472 0.4961 0.4961 5.8285 5.8285 6.1972 6.1972 7.7684 7.7684 8.9068 8.9068 9.4081 9.4081 11.1981 11.1981 11.3358 11.3358 11.7568 11.7568 12.5238 12.5238 12.8357 12.8357 k =-0.2908 0.7200 0.0353 ( 2833 PWs) bands (ev): -31.3848 -31.3848 -31.3746 -31.3746 -12.4433 -12.4433 -12.4130 -12.4130 -11.1056 -11.1056 -11.0578 -11.0578 -10.9205 -10.9205 -10.8475 -10.8475 0.4995 0.4995 5.8239 5.8239 6.2014 6.2014 7.7490 7.7490 8.9106 8.9106 9.4049 9.4049 11.1822 11.1822 11.3596 11.3596 11.7740 11.7740 12.4657 12.4657 12.8991 12.8991 k =-0.2908 0.7200 0.0530 ( 2837 PWs) bands (ev): -31.3847 -31.3847 -31.3746 -31.3746 -12.4434 -12.4434 -12.4133 -12.4133 -11.1062 -11.1062 -11.0573 -11.0573 -10.9213 -10.9213 -10.8481 -10.8481 0.5052 0.5052 5.8161 5.8161 6.2084 6.2084 7.7179 7.7179 8.9170 8.9170 9.3995 9.3995 11.1576 11.1576 11.3974 11.3974 11.8006 11.8006 12.3985 12.3985 12.9762 12.9762 k =-0.2908 0.7200 0.0706 ( 2831 PWs) bands (ev): -31.3845 -31.3845 -31.3745 -31.3745 -12.4436 -12.4436 -12.4136 -12.4136 -11.1072 -11.1072 -11.0566 -11.0566 -10.9223 -10.9223 -10.8488 -10.8488 0.5132 0.5132 5.8049 5.8049 6.2181 6.2181 7.6766 7.6766 8.9258 8.9258 9.3919 9.3919 11.1267 11.1267 11.4454 11.4454 11.8344 11.8344 12.3335 12.3335 13.0585 13.0585 k =-0.2908 0.7200 0.0883 ( 2833 PWs) bands (ev): -31.3844 -31.3844 -31.3744 -31.3744 -12.4438 -12.4438 -12.4141 -12.4141 -11.1083 -11.1083 -11.0558 -11.0558 -10.9237 -10.9237 -10.8497 -10.8497 0.5234 0.5234 5.7897 5.7897 6.2305 6.2305 7.6271 7.6271 8.9368 8.9368 9.3821 9.3821 11.0917 11.0917 11.4975 11.4975 11.8732 11.8732 12.2781 12.2781 13.1425 13.1425 k =-0.2908 0.7200 0.1060 ( 2837 PWs) bands (ev): -31.3842 -31.3842 -31.3743 -31.3743 -12.4440 -12.4440 -12.4147 -12.4147 -11.1096 -11.1096 -11.0548 -11.0548 -10.9253 -10.9253 -10.8509 -10.8509 0.5360 0.5360 5.7702 5.7702 6.2457 6.2457 7.5713 7.5713 8.9498 8.9498 9.3698 9.3698 11.0543 11.0543 11.5443 11.5443 11.9157 11.9157 12.2415 12.2415 13.2266 13.2266 k =-0.2908 0.7200 0.1236 ( 2843 PWs) bands (ev): -31.3840 -31.3840 -31.3742 -31.3742 -12.4443 -12.4443 -12.4154 -12.4154 -11.1111 -11.1111 -11.0538 -11.0538 -10.9272 -10.9272 -10.8522 -10.8522 0.5508 0.5508 5.7457 5.7457 6.2634 6.2634 7.5117 7.5117 8.9649 8.9649 9.3551 9.3551 11.0159 11.0159 11.5738 11.5738 11.9606 11.9606 12.2347 12.2347 13.3099 13.3099 k =-0.2908 0.7200 0.1413 ( 2845 PWs) bands (ev): -31.3837 -31.3837 -31.3740 -31.3740 -12.4446 -12.4446 -12.4162 -12.4162 -11.1127 -11.1127 -11.0527 -11.0527 -10.9293 -10.9293 -10.8537 -10.8537 0.5679 0.5679 5.7157 5.7157 6.2838 6.2838 7.4503 7.4503 8.9816 8.9816 9.3379 9.3379 10.9777 10.9777 11.5762 11.5762 12.0069 12.0069 12.2661 12.2661 13.3910 13.3910 k =-0.2908 0.7200 0.1589 ( 2845 PWs) bands (ev): -31.3835 -31.3835 -31.3739 -31.3739 -12.4449 -12.4449 -12.4170 -12.4170 -11.1145 -11.1145 -11.0515 -11.0515 -10.9316 -10.9316 -10.8554 -10.8554 0.5873 0.5873 5.6796 5.6796 6.3067 6.3067 7.3892 7.3892 9.0000 9.0000 9.3180 9.3180 10.9404 10.9404 11.5509 11.5509 12.0540 12.0540 12.3352 12.3352 13.4666 13.4666 k =-0.2908 0.7200 0.1766 ( 2845 PWs) bands (ev): -31.3832 -31.3832 -31.3737 -31.3737 -12.4453 -12.4453 -12.4180 -12.4180 -11.1163 -11.1163 -11.0503 -11.0503 -10.9342 -10.9342 -10.8571 -10.8571 0.6089 0.6089 5.6367 5.6367 6.3321 6.3321 7.3302 7.3302 9.0196 9.0196 9.2955 9.2955 10.9047 10.9047 11.5049 11.5049 12.1013 12.1013 12.4334 12.4334 13.5132 13.5132 k =-0.2908 0.7200 0.1943 ( 2842 PWs) bands (ev): -31.3828 -31.3828 -31.3735 -31.3735 -12.4458 -12.4458 -12.4190 -12.4190 -11.1182 -11.1182 -11.0491 -11.0491 -10.9370 -10.9370 -10.8591 -10.8591 0.6328 0.6328 5.5866 5.5866 6.3598 6.3598 7.2749 7.2749 9.0403 9.0403 9.2703 9.2703 10.8710 10.8710 11.4463 11.4463 12.1486 12.1486 12.5509 12.5509 13.5340 13.5340 k =-0.2908 0.7200 0.2119 ( 2844 PWs) bands (ev): -31.3825 -31.3825 -31.3733 -31.3733 -12.4462 -12.4462 -12.4202 -12.4202 -11.1201 -11.1201 -11.0479 -11.0479 -10.9400 -10.9400 -10.8611 -10.8611 0.6590 0.6590 5.5291 5.5291 6.3898 6.3898 7.2244 7.2244 9.0616 9.0616 9.2425 9.2425 10.8399 10.8399 11.3809 11.3809 12.1957 12.1957 12.6803 12.6803 13.5536 13.5536 k =-0.2908 0.7200 0.2296 ( 2840 PWs) bands (ev): -31.3821 -31.3821 -31.3731 -31.3731 -12.4468 -12.4468 -12.4214 -12.4214 -11.1221 -11.1221 -11.0468 -11.0468 -10.9431 -10.9431 -10.8632 -10.8632 0.6875 0.6875 5.4640 5.4640 6.4220 6.4220 7.1796 7.1796 9.0833 9.0833 9.2122 9.2122 10.8114 10.8114 11.3123 11.3123 12.2425 12.2425 12.8162 12.8162 13.5751 13.5751 k =-0.2908 0.7200 0.2473 ( 2840 PWs) bands (ev): -31.3817 -31.3817 -31.3728 -31.3728 -12.4473 -12.4473 -12.4227 -12.4227 -11.1241 -11.1241 -11.0457 -11.0457 -10.9463 -10.9463 -10.8654 -10.8654 0.7182 0.7182 5.3914 5.3914 6.4562 6.4562 7.1410 7.1410 9.1044 9.1044 9.1799 9.1799 10.7858 10.7858 11.2430 11.2430 12.2887 12.2887 12.9542 12.9542 13.5992 13.5992 k =-0.2908 0.7200 0.2649 ( 2846 PWs) bands (ev): -31.3812 -31.3812 -31.3726 -31.3726 -12.4479 -12.4479 -12.4241 -12.4241 -11.1261 -11.1261 -11.0447 -11.0447 -10.9497 -10.9497 -10.8676 -10.8676 0.7512 0.7512 5.3119 5.3119 6.4924 6.4924 7.1089 7.1089 9.1208 9.1208 9.1495 9.1495 10.7633 10.7633 11.1745 11.1745 12.3343 12.3343 13.0904 13.0904 13.6264 13.6264 k =-0.2908 0.7200 0.2826 ( 2851 PWs) bands (ev): -31.3808 -31.3808 -31.3724 -31.3724 -12.4486 -12.4486 -12.4255 -12.4255 -11.1282 -11.1282 -11.0437 -11.0437 -10.9531 -10.9531 -10.8699 -10.8699 0.7864 0.7864 5.2259 5.2259 6.5304 6.5304 7.0830 7.0830 9.1013 9.1013 9.1519 9.1519 10.7438 10.7438 11.1080 11.1080 12.3791 12.3791 13.2211 13.2211 13.6568 13.6568 k =-0.2908 0.7200 0.3002 ( 2849 PWs) bands (ev): -31.3803 -31.3803 -31.3721 -31.3721 -12.4492 -12.4492 -12.4270 -12.4270 -11.1301 -11.1301 -11.0429 -11.0429 -10.9566 -10.9566 -10.8722 -10.8722 0.8239 0.8239 5.1340 5.1340 6.5701 6.5701 7.0631 7.0631 9.0634 9.0634 9.1691 9.1691 10.7273 10.7273 11.0444 11.0444 12.4232 12.4232 13.3426 13.3426 13.6905 13.6905 k =-0.2908 0.7200 0.3179 ( 2847 PWs) bands (ev): -31.3798 -31.3798 -31.3719 -31.3719 -12.4499 -12.4499 -12.4285 -12.4285 -11.1321 -11.1321 -11.0421 -11.0421 -10.9602 -10.9602 -10.8745 -10.8745 0.8637 0.8637 5.0372 5.0372 6.6113 6.6113 7.0488 7.0488 9.0225 9.0225 9.1854 9.1854 10.7137 10.7137 10.9848 10.9848 12.4665 12.4665 13.4518 13.4518 13.7277 13.7277 k =-0.2908 0.7200 0.3356 ( 2851 PWs) bands (ev): -31.3793 -31.3793 -31.3716 -31.3716 -12.4506 -12.4506 -12.4301 -12.4301 -11.1341 -11.1341 -11.0415 -11.0415 -10.9637 -10.9637 -10.8768 -10.8768 0.9057 0.9057 4.9361 4.9361 6.6539 6.6539 7.0395 7.0395 8.9800 8.9800 9.1990 9.1990 10.7028 10.7028 10.9296 10.9296 12.5091 12.5091 13.5465 13.5465 13.7684 13.7684 k =-0.2908 0.7200 0.3532 ( 2847 PWs) bands (ev): -31.3788 -31.3788 -31.3714 -31.3714 -12.4514 -12.4514 -12.4317 -12.4317 -11.1359 -11.1359 -11.0409 -11.0409 -10.9673 -10.9673 -10.8790 -10.8790 0.9499 0.9499 4.8314 4.8314 6.6977 6.6977 7.0348 7.0348 8.9363 8.9363 9.2092 9.2092 10.6946 10.6946 10.8798 10.8798 12.5510 12.5510 13.6265 13.6265 13.8125 13.8125 k =-0.2908 0.7200 0.3709 ( 2843 PWs) bands (ev): -31.3783 -31.3783 -31.3711 -31.3711 -12.4521 -12.4521 -12.4334 -12.4334 -11.1378 -11.1378 -11.0405 -11.0405 -10.9707 -10.9707 -10.8812 -10.8812 0.9964 0.9964 4.7240 4.7240 6.7425 6.7425 7.0341 7.0341 8.8918 8.8918 9.2153 9.2153 10.6889 10.6889 10.8357 10.8357 12.5923 12.5923 13.6929 13.6929 13.8600 13.8600 k =-0.2908 0.7200 0.3885 ( 2839 PWs) bands (ev): -31.3778 -31.3778 -31.3709 -31.3709 -12.4529 -12.4529 -12.4350 -12.4350 -11.1395 -11.1395 -11.0403 -11.0403 -10.9742 -10.9742 -10.8833 -10.8833 1.0451 1.0451 4.6143 4.6143 6.7881 6.7881 7.0369 7.0369 8.8469 8.8469 9.2165 9.2165 10.6853 10.6853 10.7978 10.7978 12.6332 12.6332 13.7483 13.7483 13.9106 13.9106 k =-0.2908 0.7200 0.4062 ( 2840 PWs) bands (ev): -31.3773 -31.3773 -31.3707 -31.3707 -12.4537 -12.4537 -12.4367 -12.4367 -11.1413 -11.1413 -11.0401 -11.0401 -10.9775 -10.9775 -10.8854 -10.8854 1.0961 1.0961 4.5031 4.5031 6.8344 6.8344 7.0429 7.0429 8.8019 8.8019 9.2124 9.2124 10.6838 10.6838 10.7665 10.7665 12.6738 12.6738 13.7954 13.7954 13.9640 13.9640 k =-0.2908 0.7200 0.4239 ( 2844 PWs) bands (ev): -31.3768 -31.3768 -31.3704 -31.3704 -12.4545 -12.4545 -12.4384 -12.4384 -11.1429 -11.1429 -11.0401 -11.0401 -10.9807 -10.9807 -10.8874 -10.8874 1.1493 1.1493 4.3907 4.3907 6.8810 6.8810 7.0516 7.0516 8.7572 8.7572 9.2028 9.2028 10.6841 10.6841 10.7418 10.7418 12.7142 12.7142 13.8369 13.8369 14.0201 14.0201 k =-0.2908 0.7200 0.4415 ( 2830 PWs) bands (ev): -31.3763 -31.3763 -31.3702 -31.3702 -12.4553 -12.4553 -12.4400 -12.4400 -11.1444 -11.1444 -11.0402 -11.0402 -10.9838 -10.9838 -10.8893 -10.8893 1.2047 1.2047 4.2776 4.2776 6.9277 6.9277 7.0627 7.0627 8.7132 8.7132 9.1874 9.1874 10.6858 10.6858 10.7238 10.7238 12.7547 12.7547 13.8750 13.8750 14.0782 14.0782 k =-0.2908 0.7200 0.4592 ( 2831 PWs) bands (ev): -31.3757 -31.3757 -31.3700 -31.3700 -12.4561 -12.4561 -12.4417 -12.4417 -11.1459 -11.1459 -11.0405 -11.0405 -10.9868 -10.9868 -10.8910 -10.8910 1.2623 1.2623 4.1642 4.1642 6.9741 6.9741 7.0760 7.0760 8.6703 8.6703 9.1664 9.1664 10.6887 10.6887 10.7122 10.7122 12.7953 12.7953 13.9114 13.9114 14.1380 14.1380 k =-0.2908 0.7200 0.4768 ( 2835 PWs) bands (ev): -31.3752 -31.3752 -31.3698 -31.3698 -12.4568 -12.4568 -12.4433 -12.4433 -11.1473 -11.1473 -11.0409 -11.0409 -10.9896 -10.9896 -10.8927 -10.8927 1.3222 1.3222 4.0508 4.0508 7.0199 7.0199 7.0912 7.0912 8.6288 8.6288 9.1400 9.1400 10.6920 10.6920 10.7069 10.7069 12.8364 12.8364 13.9473 13.9473 14.1984 14.1984 k =-0.2908 0.7200 0.4945 ( 2835 PWs) bands (ev): -31.3747 -31.3747 -31.3697 -31.3697 -12.4576 -12.4576 -12.4449 -12.4449 -11.1486 -11.1486 -11.0414 -11.0414 -10.9922 -10.9922 -10.8942 -10.8942 1.3842 1.3842 3.9377 3.9377 7.0644 7.0644 7.1086 7.1086 8.5892 8.5892 9.1089 9.1089 10.6952 10.6952 10.7076 10.7076 12.8780 12.8780 13.9834 13.9834 14.2323 14.2323 k =-0.2908 0.7200 0.5122 ( 2837 PWs) bands (ev): -31.3743 -31.3743 -31.3695 -31.3695 -12.4583 -12.4583 -12.4465 -12.4465 -11.1498 -11.1498 -11.0420 -11.0420 -10.9946 -10.9946 -10.8956 -10.8956 1.4485 1.4485 3.8252 3.8252 7.1054 7.1054 7.1294 7.1294 8.5520 8.5520 9.0734 9.0734 10.6992 10.6992 10.7123 10.7123 12.9203 12.9203 14.0199 14.0199 14.2034 14.2034 k =-0.2908 0.7200 0.5298 ( 2839 PWs) bands (ev): -31.3738 -31.3738 -31.3694 -31.3694 -12.4590 -12.4590 -12.4480 -12.4480 -11.1509 -11.1509 -11.0428 -11.0428 -10.9968 -10.9968 -10.8969 -10.8969 1.5149 1.5149 3.7134 3.7134 7.1364 7.1364 7.1598 7.1598 8.5176 8.5176 9.0343 9.0343 10.7049 10.7049 10.7191 10.7191 12.9634 12.9634 14.0551 14.0551 14.1723 14.1723 k =-0.2908 0.7200 0.5475 ( 2843 PWs) bands (ev): -31.3733 -31.3733 -31.3693 -31.3693 -12.4596 -12.4596 -12.4494 -12.4494 -11.1520 -11.1520 -11.0435 -11.0435 -10.9989 -10.9989 -10.8981 -10.8981 1.5835 1.5835 3.6025 3.6025 7.1591 7.1591 7.1973 7.1973 8.4866 8.4866 8.9921 8.9921 10.7124 10.7124 10.7269 10.7269 13.0074 13.0074 14.0777 14.0777 14.1525 14.1525 k =-0.2908 0.7200 0.5652 ( 2845 PWs) bands (ev): -31.3729 -31.3729 -31.3692 -31.3692 -12.4602 -12.4602 -12.4508 -12.4508 -11.1529 -11.1529 -11.0443 -11.0443 -11.0007 -11.0007 -10.8992 -10.8992 1.6543 1.6543 3.4927 3.4927 7.1803 7.1803 7.2342 7.2342 8.4595 8.4595 8.9476 8.9476 10.7211 10.7211 10.7354 10.7354 13.0524 13.0524 14.0611 14.0611 14.1712 14.1712 k =-0.2908 0.7200 0.5828 ( 2846 PWs) bands (ev): -31.3725 -31.3725 -31.3691 -31.3691 -12.4607 -12.4607 -12.4521 -12.4521 -11.1537 -11.1537 -11.0452 -11.0452 -11.0023 -11.0023 -10.9001 -10.9001 1.7272 1.7272 3.3842 3.3842 7.2016 7.2016 7.2683 7.2683 8.4370 8.4370 8.9014 8.9014 10.7303 10.7303 10.7442 10.7442 13.0984 13.0984 14.0222 14.0222 14.2122 14.2122 k =-0.2908 0.7200 0.6005 ( 2842 PWs) bands (ev): -31.3721 -31.3721 -31.3691 -31.3691 -12.4612 -12.4612 -12.4533 -12.4533 -11.1545 -11.1545 -11.0460 -11.0460 -11.0038 -11.0038 -10.9010 -10.9010 1.8023 1.8023 3.2770 3.2770 7.2229 7.2229 7.2988 7.2988 8.4195 8.4195 8.8541 8.8541 10.7396 10.7396 10.7530 10.7530 13.1455 13.1455 13.9769 13.9769 14.2596 14.2596 k =-0.2908 0.7200 0.6181 ( 2846 PWs) bands (ev): -31.3717 -31.3717 -31.3690 -31.3690 -12.4616 -12.4616 -12.4544 -12.4544 -11.1551 -11.1551 -11.0468 -11.0468 -11.0051 -11.0051 -10.9017 -10.9017 1.8795 1.8795 3.1713 3.1713 7.2441 7.2441 7.3250 7.3250 8.4078 8.4078 8.8063 8.8063 10.7485 10.7485 10.7617 10.7617 13.1937 13.1937 13.9284 13.9284 14.3102 14.3102 k =-0.2908 0.7200 0.6358 ( 2841 PWs) bands (ev): -31.3713 -31.3713 -31.3690 -31.3690 -12.4619 -12.4619 -12.4554 -12.4554 -11.1557 -11.1557 -11.0475 -11.0475 -11.0061 -11.0061 -10.9023 -10.9023 1.9588 1.9588 3.0671 3.0671 7.2651 7.2651 7.3463 7.3463 8.4022 8.4022 8.7585 8.7585 10.7567 10.7567 10.7697 10.7697 13.2429 13.2429 13.8779 13.8779 14.3626 14.3626 k =-0.2908 0.7200 0.6535 ( 2841 PWs) bands (ev): -31.3710 -31.3710 -31.3691 -31.3691 -12.4622 -12.4622 -12.4562 -12.4562 -11.1561 -11.1561 -11.0482 -11.0482 -11.0071 -11.0071 -10.9028 -10.9028 2.0402 2.0402 2.9645 2.9645 7.2856 7.2856 7.3625 7.3625 8.4031 8.4031 8.7113 8.7113 10.7641 10.7641 10.7770 10.7770 13.2932 13.2932 13.8260 13.8260 14.4158 14.4158 k =-0.2908 0.7200 0.6711 ( 2835 PWs) bands (ev): -31.3707 -31.3707 -31.3691 -31.3691 -12.4624 -12.4624 -12.4570 -12.4570 -11.1565 -11.1565 -11.0488 -11.0488 -11.0078 -11.0078 -10.9032 -10.9032 2.1237 2.1237 2.8637 2.8637 7.3052 7.3052 7.3732 7.3732 8.4106 8.4106 8.6653 8.6653 10.7704 10.7704 10.7831 10.7831 13.3444 13.3444 13.7730 13.7730 14.4688 14.4688 k =-0.2908 0.7200 0.6888 ( 2839 PWs) bands (ev): -31.3704 -31.3704 -31.3692 -31.3692 -12.4626 -12.4626 -12.4576 -12.4576 -11.1568 -11.1568 -11.0492 -11.0492 -11.0084 -11.0084 -10.9036 -10.9036 2.2093 2.2093 2.7646 2.7646 7.3234 7.3234 7.3787 7.3787 8.4244 8.4244 8.6212 8.6212 10.7756 10.7756 10.7880 10.7880 13.3965 13.3965 13.7193 13.7193 14.5201 14.5201 k =-0.2908 0.7200 0.7064 ( 2836 PWs) bands (ev): -31.3701 -31.3701 -31.3694 -31.3694 -12.4627 -12.4627 -12.4580 -12.4580 -11.1570 -11.1570 -11.0496 -11.0496 -11.0088 -11.0088 -10.9038 -10.9038 2.2968 2.2968 2.6674 2.6674 7.3399 7.3399 7.3792 7.3792 8.4442 8.4442 8.5796 8.5796 10.7794 10.7794 10.7915 10.7915 13.4493 13.4493 13.6652 13.6652 14.5683 14.5683 k =-0.2908 0.7200 0.7241 ( 2834 PWs) bands (ev): -31.3699 -31.3699 -31.3695 -31.3695 -12.4627 -12.4627 -12.4583 -12.4583 -11.1571 -11.1571 -11.0498 -11.0498 -11.0090 -11.0090 -10.9039 -10.9039 2.3862 2.3862 2.5722 2.5722 7.3540 7.3540 7.3754 7.3754 8.4686 8.4686 8.5421 8.5421 10.7818 10.7818 10.7936 10.7936 13.5027 13.5027 13.6110 13.6110 14.6112 14.6112 k =-0.2908 0.7200 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4628 -12.4628 -12.4584 -12.4584 -11.1572 -11.1572 -11.0498 -11.0498 -11.0091 -11.0091 -10.9040 -10.9040 2.4692 2.4692 2.4872 2.4872 7.3623 7.3623 7.3705 7.3705 8.4876 8.4876 8.5188 8.5188 10.7826 10.7826 10.7943 10.7943 13.5538 13.5538 13.5597 13.5597 14.6395 14.6395 k =-0.2908 0.7200 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4628 -12.4628 -12.4584 -12.4584 -11.1572 -11.1572 -11.0498 -11.0498 -11.0091 -11.0091 -10.9040 -10.9040 2.4692 2.4692 2.4872 2.4872 7.3623 7.3623 7.3705 7.3705 8.4876 8.4876 8.5188 8.5188 10.7826 10.7826 10.7943 10.7943 13.5538 13.5538 13.5597 13.5597 14.6395 14.6395 k =-0.2975 0.7033 0.7418 ( 2830 PWs) bands (ev): -31.3697 -31.3697 -31.3697 -31.3697 -12.4627 -12.4627 -12.4584 -12.4584 -11.1586 -11.1586 -11.0507 -11.0507 -11.0073 -11.0073 -10.9013 -10.9013 2.4724 2.4724 2.4914 2.4914 7.3409 7.3409 7.3490 7.3490 8.5071 8.5071 8.5385 8.5385 10.7845 10.7845 10.7955 10.7955 13.4531 13.4531 13.4584 13.4584 14.7500 14.7500 k =-0.3043 0.6866 0.7418 ( 2834 PWs) bands (ev): -31.3698 -31.3698 -31.3698 -31.3698 -12.4625 -12.4625 -12.4583 -12.4583 -11.1598 -11.1598 -11.0519 -11.0519 -11.0049 -11.0049 -10.8988 -10.8988 2.4752 2.4752 2.4950 2.4950 7.3208 7.3208 7.3290 7.3290 8.5274 8.5274 8.5590 8.5590 10.7869 10.7869 10.7973 10.7973 13.3516 13.3516 13.3564 13.3564 14.8537 14.8537 k =-0.3110 0.6699 0.7418 ( 2834 PWs) bands (ev): -31.3699 -31.3699 -31.3699 -31.3699 -12.4624 -12.4624 -12.4583 -12.4583 -11.1608 -11.1608 -11.0535 -11.0535 -11.0021 -11.0021 -10.8964 -10.8964 2.4776 2.4776 2.4982 2.4982 7.3023 7.3023 7.3106 7.3106 8.5484 8.5484 8.5801 8.5801 10.7903 10.7903 10.8002 10.8002 13.2495 13.2495 13.2538 13.2538 14.9458 14.9458 k =-0.3178 0.6531 0.7418 ( 2842 PWs) bands (ev): -31.3700 -31.3700 -31.3700 -31.3700 -12.4622 -12.4622 -12.4582 -12.4582 -11.1616 -11.1616 -11.0554 -11.0554 -10.9990 -10.9990 -10.8940 -10.8940 2.4795 2.4795 2.5007 2.5007 7.2854 7.2854 7.2938 7.2938 8.5702 8.5702 8.6017 8.6017 10.7952 10.7952 10.8045 10.8045 13.1468 13.1468 13.1508 13.1508 15.0203 15.0203 k =-0.3245 0.6364 0.7418 ( 2850 PWs) bands (ev): -31.3701 -31.3701 -31.3701 -31.3701 -12.4619 -12.4619 -12.4580 -12.4580 -11.1623 -11.1623 -11.0575 -11.0575 -10.9955 -10.9955 -10.8918 -10.8918 2.4810 2.4810 2.5027 2.5027 7.2701 7.2701 7.2786 7.2786 8.5926 8.5926 8.6239 8.6239 10.8018 10.8018 10.8107 10.8107 13.0438 13.0438 13.0474 13.0474 15.0711 15.0711 k =-0.3313 0.6197 0.7418 ( 2846 PWs) bands (ev): -31.3701 -31.3701 -31.3701 -31.3701 -12.4617 -12.4617 -12.4579 -12.4579 -11.1627 -11.1627 -11.0597 -11.0597 -10.9918 -10.9918 -10.8896 -10.8896 2.4820 2.4820 2.5042 2.5042 7.2563 7.2563 7.2651 7.2651 8.6156 8.6156 8.6466 8.6466 10.8105 10.8105 10.8191 10.8191 12.9406 12.9406 12.9439 12.9439 15.0927 15.0928 k =-0.3380 0.6030 0.7418 ( 2854 PWs) bands (ev): -31.3702 -31.3702 -31.3702 -31.3702 -12.4614 -12.4614 -12.4577 -12.4577 -11.1629 -11.1629 -11.0620 -11.0620 -10.9878 -10.9878 -10.8876 -10.8876 2.4825 2.4825 2.5051 2.5051 7.2443 7.2443 7.2532 7.2532 8.6391 8.6391 8.6696 8.6696 10.8218 10.8218 10.8301 10.8301 12.8374 12.8374 12.8404 12.8404 15.0826 15.0830 k =-0.3448 0.5863 0.7418 ( 2854 PWs) bands (ev): -31.3703 -31.3703 -31.3703 -31.3703 -12.4610 -12.4610 -12.4575 -12.4575 -11.1630 -11.1630 -11.0645 -11.0645 -10.9837 -10.9837 -10.8857 -10.8857 2.4825 2.4825 2.5054 2.5054 7.2338 7.2338 7.2429 7.2429 8.6631 8.6631 8.6931 8.6931 10.8360 10.8360 10.8440 10.8440 12.7343 12.7343 12.7370 12.7370 15.0369 15.0419 k =-0.3515 0.5696 0.7418 ( 2858 PWs) bands (ev): -31.3705 -31.3705 -31.3705 -31.3705 -12.4607 -12.4607 -12.4573 -12.4573 -11.1629 -11.1629 -11.0670 -11.0670 -10.9795 -10.9795 -10.8839 -10.8839 2.4821 2.4821 2.5051 2.5051 7.2249 7.2249 7.2341 7.2341 8.6877 8.6877 8.7169 8.7169 10.8533 10.8533 10.8610 10.8610 12.6315 12.6315 12.6339 12.6339 14.9652 14.9653 k =-0.3583 0.5529 0.7418 ( 2858 PWs) bands (ev): -31.3706 -31.3706 -31.3706 -31.3706 -12.4603 -12.4603 -12.4570 -12.4570 -11.1626 -11.1626 -11.0695 -11.0695 -10.9752 -10.9752 -10.8823 -10.8823 2.4813 2.4813 2.5043 2.5043 7.2175 7.2175 7.2269 7.2269 8.7127 8.7127 8.7412 8.7412 10.8741 10.8741 10.8816 10.8816 12.5291 12.5291 12.5312 12.5312 14.8743 14.8743 k =-0.3650 0.5362 0.7418 ( 2862 PWs) bands (ev): -31.3707 -31.3707 -31.3707 -31.3707 -12.4600 -12.4600 -12.4568 -12.4568 -11.1621 -11.1621 -11.0721 -11.0721 -10.9707 -10.9707 -10.8808 -10.8808 2.4800 2.4800 2.5029 2.5029 7.2115 7.2115 7.2210 7.2210 8.7382 8.7382 8.7657 8.7657 10.8986 10.8986 10.9058 10.9058 12.4273 12.4273 12.4292 12.4292 14.7696 14.7696 k =-0.3718 0.5195 0.7418 ( 2862 PWs) bands (ev): -31.3708 -31.3708 -31.3708 -31.3708 -12.4596 -12.4596 -12.4566 -12.4566 -11.1615 -11.1615 -11.0748 -11.0748 -10.9662 -10.9662 -10.8794 -10.8794 2.4784 2.4784 2.5011 2.5011 7.2069 7.2069 7.2165 7.2165 8.7642 8.7642 8.7907 8.7907 10.9269 10.9269 10.9338 10.9338 12.3264 12.3264 12.3279 12.3279 14.6554 14.6554 k =-0.3785 0.5027 0.7418 ( 2854 PWs) bands (ev): -31.3709 -31.3709 -31.3709 -31.3709 -12.4592 -12.4592 -12.4563 -12.4563 -11.1607 -11.1607 -11.0774 -11.0774 -10.9617 -10.9617 -10.8783 -10.8783 2.4765 2.4765 2.4988 2.4988 7.2036 7.2036 7.2132 7.2132 8.7906 8.7906 8.8161 8.8161 10.9593 10.9593 10.9659 10.9659 12.2265 12.2265 12.2276 12.2276 14.5347 14.5347 k =-0.3853 0.4860 0.7418 ( 2858 PWs) bands (ev): -31.3710 -31.3710 -31.3710 -31.3710 -12.4588 -12.4588 -12.4561 -12.4561 -11.1597 -11.1597 -11.0801 -11.0801 -10.9571 -10.9571 -10.8773 -10.8773 2.4742 2.4742 2.4961 2.4961 7.2014 7.2014 7.2110 7.2110 8.8176 8.8176 8.8419 8.8419 10.9959 10.9959 11.0022 11.0022 12.1280 12.1280 12.1286 12.1286 14.4096 14.4096 k =-0.3920 0.4693 0.7418 ( 2866 PWs) bands (ev): -31.3711 -31.3711 -31.3711 -31.3711 -12.4584 -12.4584 -12.4558 -12.4558 -11.1586 -11.1586 -11.0828 -11.0828 -10.9526 -10.9526 -10.8764 -10.8764 2.4717 2.4717 2.4931 2.4931 7.2003 7.2003 7.2097 7.2097 8.8450 8.8450 8.8681 8.8681 11.0367 11.0367 11.0426 11.0426 12.0309 12.0309 12.0311 12.0311 14.2817 14.2817 k =-0.3988 0.4526 0.7418 ( 2866 PWs) bands (ev): -31.3712 -31.3712 -31.3712 -31.3712 -12.4580 -12.4580 -12.4556 -12.4556 -11.1573 -11.1573 -11.0855 -11.0855 -10.9480 -10.9480 -10.8758 -10.8758 2.4691 2.4691 2.4897 2.4897 7.2000 7.2000 7.2093 7.2093 8.8730 8.8730 8.8948 8.8948 11.0818 11.0818 11.0873 11.0873 11.9355 11.9355 11.9359 11.9359 14.1521 14.1521 k =-0.4055 0.4359 0.7418 ( 2854 PWs) bands (ev): -31.3713 -31.3713 -31.3713 -31.3713 -12.4577 -12.4577 -12.4554 -12.4554 -11.1559 -11.1559 -11.0882 -11.0882 -10.9435 -10.9435 -10.8753 -10.8753 2.4663 2.4663 2.4861 2.4861 7.2005 7.2005 7.2096 7.2096 8.9014 8.9014 8.9219 8.9219 11.1312 11.1312 11.1361 11.1361 11.8420 11.8420 11.8431 11.8431 14.0217 14.0217 k =-0.4123 0.4192 0.7418 ( 2854 PWs) bands (ev): -31.3714 -31.3714 -31.3714 -31.3714 -12.4573 -12.4573 -12.4552 -12.4552 -11.1544 -11.1544 -11.0910 -11.0910 -10.9390 -10.9390 -10.8751 -10.8751 2.4634 2.4634 2.4823 2.4823 7.2017 7.2017 7.2105 7.2105 8.9302 8.9302 8.9494 8.9494 11.1848 11.1848 11.1889 11.1889 11.7511 11.7511 11.7532 11.7532 13.8911 13.8911 k =-0.4190 0.4025 0.7418 ( 2854 PWs) bands (ev): -31.3715 -31.3715 -31.3715 -31.3715 -12.4569 -12.4569 -12.4550 -12.4550 -11.1527 -11.1527 -11.0937 -11.0937 -10.9346 -10.9346 -10.8750 -10.8750 2.4605 2.4605 2.4784 2.4784 7.2033 7.2033 7.2118 7.2118 8.9593 8.9593 8.9772 8.9772 11.2425 11.2425 11.2453 11.2453 11.6631 11.6631 11.6669 11.6669 13.7608 13.7608 k =-0.4258 0.3858 0.7418 ( 2848 PWs) bands (ev): -31.3716 -31.3716 -31.3716 -31.3716 -12.4566 -12.4566 -12.4548 -12.4548 -11.1510 -11.1510 -11.0964 -11.0964 -10.9303 -10.9303 -10.8751 -10.8751 2.4576 2.4576 2.4744 2.4744 7.2054 7.2054 7.2134 7.2134 8.9886 8.9886 9.0050 9.0050 11.3041 11.3041 11.3042 11.3042 11.5789 11.5789 11.5856 11.5856 13.6314 13.6314 k =-0.4325 0.3690 0.7418 ( 2848 PWs) bands (ev): -31.3717 -31.3717 -31.3717 -31.3717 -12.4563 -12.4563 -12.4546 -12.4546 -11.1491 -11.1491 -11.0991 -11.0991 -10.9260 -10.9260 -10.8755 -10.8755 2.4549 2.4549 2.4704 2.4704 7.2077 7.2077 7.2152 7.2152 9.0178 9.0178 9.0328 9.0328 11.3607 11.3607 11.3682 11.3682 11.5000 11.5000 11.5146 11.5146 13.5033 13.5033 k =-0.4393 0.3523 0.7418 ( 2848 PWs) bands (ev): -31.3718 -31.3718 -31.3718 -31.3718 -12.4560 -12.4560 -12.4545 -12.4545 -11.1471 -11.1471 -11.1019 -11.1019 -10.9218 -10.9218 -10.8761 -10.8761 2.4523 2.4523 2.4665 2.4665 7.2102 7.2102 7.2172 7.2172 9.0467 9.0467 9.0603 9.0603 11.3813 11.3813 11.4056 11.4056 11.4562 11.4562 11.4877 11.4877 13.3768 13.3768 k =-0.4460 0.3356 0.7418 ( 2848 PWs) bands (ev): -31.3719 -31.3719 -31.3719 -31.3719 -12.4557 -12.4557 -12.4544 -12.4544 -11.1450 -11.1450 -11.1046 -11.1046 -10.9178 -10.9178 -10.8768 -10.8768 2.4499 2.4499 2.4627 2.4627 7.2127 7.2127 7.2191 7.2191 9.0749 9.0749 9.0870 9.0870 11.3341 11.3341 11.3450 11.3450 11.5189 11.5189 11.5374 11.5374 13.2523 13.2523 k =-0.4528 0.3189 0.7418 ( 2848 PWs) bands (ev): -31.3719 -31.3719 -31.3719 -31.3719 -12.4554 -12.4554 -12.4543 -12.4543 -11.1429 -11.1429 -11.1073 -11.1073 -10.9139 -10.9139 -10.8778 -10.8778 2.4477 2.4477 2.4592 2.4592 7.2152 7.2152 7.2209 7.2209 9.1019 9.1019 9.1125 9.1125 11.2744 11.2744 11.2806 11.2806 11.5945 11.5945 11.6087 11.6087 13.1304 13.1304 k =-0.4595 0.3022 0.7418 ( 2844 PWs) bands (ev): -31.3720 -31.3720 -31.3720 -31.3720 -12.4552 -12.4552 -12.4542 -12.4542 -11.1406 -11.1406 -11.1100 -11.1100 -10.9101 -10.9101 -10.8791 -10.8791 2.4459 2.4459 2.4558 2.4558 7.2176 7.2176 7.2226 7.2226 9.1272 9.1272 9.1364 9.1364 11.2177 11.2177 11.2218 11.2218 11.6739 11.6739 11.6862 11.6862 13.0115 13.0115 k =-0.4663 0.2855 0.7418 ( 2836 PWs) bands (ev): -31.3720 -31.3720 -31.3720 -31.3720 -12.4550 -12.4550 -12.4541 -12.4541 -11.1383 -11.1383 -11.1127 -11.1127 -10.9065 -10.9065 -10.8805 -10.8805 2.4444 2.4444 2.4528 2.4528 7.2197 7.2197 7.2240 7.2240 9.1502 9.1502 9.1579 9.1579 11.1672 11.1672 11.1701 11.1701 11.7556 11.7556 11.7669 11.7669 12.8964 12.8964 k =-0.4730 0.2688 0.7418 ( 2840 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4548 -12.4548 -12.4541 -12.4541 -11.1359 -11.1359 -11.1154 -11.1154 -10.9030 -10.9030 -10.8822 -10.8822 2.4433 2.4433 2.4500 2.4500 7.2217 7.2217 7.2251 7.2251 9.1704 9.1704 9.1766 9.1766 11.1242 11.1242 11.1263 11.1263 11.8386 11.8386 11.8491 11.8491 12.7865 12.7865 k =-0.4798 0.2521 0.7418 ( 2844 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4546 -12.4546 -12.4541 -12.4541 -11.1335 -11.1335 -11.1181 -11.1181 -10.8997 -10.8997 -10.8840 -10.8840 2.4426 2.4426 2.4477 2.4477 7.2234 7.2234 7.2260 7.2260 9.1871 9.1871 9.1918 9.1918 11.0898 11.0898 11.0912 11.0912 11.9204 11.9204 11.9301 11.9301 12.6840 12.6840 k =-0.4865 0.2354 0.7418 ( 2840 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4544 -12.4544 -12.4541 -12.4541 -11.1310 -11.1310 -11.1207 -11.1207 -10.8966 -10.8966 -10.8861 -10.8861 2.4423 2.4423 2.4457 2.4457 7.2247 7.2247 7.2265 7.2265 9.1998 9.1998 9.2029 9.2029 11.0646 11.0646 11.0655 11.0655 11.9968 11.9968 12.0051 12.0051 12.5938 12.5938 k =-0.4933 0.2186 0.7418 ( 2832 PWs) bands (ev): -31.3721 -31.3721 -31.3721 -31.3721 -12.4543 -12.4543 -12.4542 -12.4542 -11.1285 -11.1285 -11.1233 -11.1233 -10.8937 -10.8937 -10.8884 -10.8884 2.4425 2.4425 2.4442 2.4442 7.2257 7.2257 7.2266 7.2266 9.2078 9.2078 9.2094 9.2094 11.0494 11.0494 11.0498 11.0498 12.0578 12.0578 12.0630 12.0630 12.5269 12.5269 k =-0.5000 0.2019 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4542 -12.4542 -12.4542 -12.4542 -11.1259 -11.1259 -11.1259 -11.1259 -10.8910 -10.8910 -10.8910 -10.8910 2.4431 2.4431 2.4431 2.4431 7.2263 7.2263 7.2263 7.2263 9.2111 9.2111 9.2111 9.2111 11.0444 11.0444 11.0444 11.0444 12.0846 12.0846 12.0846 12.0846 12.5025 12.5025 k =-0.5000 0.2019 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4542 -12.4542 -12.4542 -12.4542 -11.1259 -11.1259 -11.1259 -11.1259 -10.8910 -10.8910 -10.8910 -10.8910 2.4431 2.4431 2.4431 2.4431 7.2263 7.2263 7.2263 7.2263 9.2111 9.2111 9.2111 9.2111 11.0444 11.0444 11.0444 11.0444 12.0846 12.0846 12.0846 12.0846 12.5025 12.5025 k =-0.5000 0.2019 0.7241 ( 2830 PWs) bands (ev): -31.3726 -31.3726 -31.3718 -31.3718 -12.4553 -12.4553 -12.4530 -12.4530 -11.1276 -11.1276 -11.1240 -11.1240 -10.8924 -10.8924 -10.8896 -10.8896 2.3398 2.3398 2.5486 2.5486 7.1272 7.1272 7.3261 7.3261 9.1678 9.1678 9.2557 9.2557 10.9876 10.9876 11.1008 11.1008 12.0335 12.0335 12.1392 12.1392 12.4591 12.4591 k =-0.5000 0.2019 0.7064 ( 2836 PWs) bands (ev): -31.3730 -31.3730 -31.3714 -31.3714 -12.4561 -12.4561 -12.4517 -12.4517 -11.1290 -11.1290 -11.1218 -11.1218 -10.8939 -10.8939 -10.8882 -10.8882 2.2386 2.2386 2.6561 2.6561 7.0290 7.0290 7.4265 7.4265 9.1258 9.1258 9.3018 9.3018 10.9306 10.9306 11.1569 11.1569 11.9860 11.9860 12.1972 12.1972 12.4204 12.4204 k =-0.5000 0.2019 0.6888 ( 2836 PWs) bands (ev): -31.3735 -31.3735 -31.3711 -31.3711 -12.4569 -12.4569 -12.4501 -12.4501 -11.1301 -11.1301 -11.1194 -11.1194 -10.8955 -10.8955 -10.8869 -10.8869 2.1395 2.1395 2.7656 2.7656 6.9319 6.9319 7.5271 7.5271 9.0849 9.0849 9.3493 9.3493 10.8735 10.8735 11.2126 11.2126 11.9423 11.9423 12.2584 12.2584 12.3861 12.3861 k =-0.5000 0.2019 0.6711 ( 2832 PWs) bands (ev): -31.3740 -31.3740 -31.3708 -31.3708 -12.4574 -12.4574 -12.4484 -12.4484 -11.1310 -11.1310 -11.1167 -11.1167 -10.8971 -10.8971 -10.8857 -10.8857 2.0426 2.0426 2.8770 2.8770 6.8361 6.8361 7.6277 7.6277 9.0452 9.0452 9.3985 9.3985 10.8162 10.8162 11.2681 11.2681 11.9024 11.9024 12.3225 12.3225 12.3564 12.3564 k =-0.5000 0.2019 0.6535 ( 2830 PWs) bands (ev): -31.3745 -31.3745 -31.3705 -31.3705 -12.4578 -12.4578 -12.4466 -12.4466 -11.1316 -11.1316 -11.1138 -11.1138 -10.8987 -10.8987 -10.8845 -10.8845 1.9480 1.9480 2.9903 2.9903 6.7418 6.7418 7.7282 7.7282 9.0064 9.0064 9.4494 9.4494 10.7591 10.7591 11.3233 11.3233 11.8665 11.8665 12.3302 12.3302 12.3903 12.3903 k =-0.5000 0.2019 0.6358 ( 2838 PWs) bands (ev): -31.3750 -31.3750 -31.3703 -31.3703 -12.4581 -12.4581 -12.4447 -12.4447 -11.1319 -11.1319 -11.1107 -11.1107 -10.9004 -10.9004 -10.8834 -10.8834 1.8557 1.8557 3.1053 3.1053 6.6491 6.6491 7.8281 7.8281 8.9686 8.9686 9.5020 9.5020 10.7022 10.7022 11.3783 11.3783 11.8347 11.8347 12.3086 12.3086 12.4603 12.4603 k =-0.5000 0.2019 0.6181 ( 2836 PWs) bands (ev): -31.3756 -31.3756 -31.3701 -31.3701 -12.4582 -12.4582 -12.4426 -12.4426 -11.1320 -11.1320 -11.1074 -11.1074 -10.9021 -10.9021 -10.8823 -10.8823 1.7656 1.7656 3.2220 3.2220 6.5583 6.5583 7.9274 7.9274 8.9317 8.9317 9.5565 9.5565 10.6458 10.6458 11.4333 11.4333 11.8070 11.8070 12.2907 12.2907 12.5329 12.5329 k =-0.5000 0.2019 0.6005 ( 2846 PWs) bands (ev): -31.3762 -31.3762 -31.3699 -31.3699 -12.4581 -12.4581 -12.4404 -12.4404 -11.1318 -11.1318 -11.1038 -11.1038 -10.9038 -10.9038 -10.8813 -10.8813 1.6778 1.6778 3.3403 3.3403 6.4695 6.4695 8.0254 8.0254 8.8956 8.8956 9.6129 9.6129 10.5901 10.5901 11.4883 11.4883 11.7836 11.7836 12.2763 12.2763 12.6080 12.6080 k =-0.5000 0.2019 0.5828 ( 2842 PWs) bands (ev): -31.3768 -31.3768 -31.3698 -31.3698 -12.4579 -12.4579 -12.4380 -12.4380 -11.1313 -11.1313 -11.1001 -11.1001 -10.9056 -10.9056 -10.8803 -10.8803 1.5923 1.5923 3.4599 3.4599 6.3831 6.3831 8.1220 8.1220 8.8603 8.8603 9.6713 9.6713 10.5351 10.5351 11.5433 11.5433 11.7645 11.7645 12.2652 12.2652 12.6852 12.6852 k =-0.5000 0.2019 0.5652 ( 2842 PWs) bands (ev): -31.3774 -31.3774 -31.3697 -31.3697 -12.4576 -12.4576 -12.4356 -12.4356 -11.1306 -11.1306 -11.0962 -11.0962 -10.9074 -10.9074 -10.8794 -10.8794 1.5092 1.5092 3.5806 3.5806 6.2992 6.2992 8.2168 8.2168 8.8258 8.8258 9.7317 9.7317 10.4813 10.4813 11.5983 11.5983 11.7500 11.7500 12.2571 12.2571 12.7646 12.7646 k =-0.5000 0.2019 0.5475 ( 2836 PWs) bands (ev): -31.3780 -31.3780 -31.3696 -31.3696 -12.4572 -12.4572 -12.4331 -12.4331 -11.1297 -11.1297 -11.0921 -11.0921 -10.9092 -10.9092 -10.8785 -10.8785 1.4285 1.4285 3.7023 3.7023 6.2182 6.2182 8.3091 8.3091 8.7921 8.7921 9.7943 9.7943 10.4286 10.4286 11.6524 11.6524 11.7410 11.7410 12.2518 12.2518 12.8457 12.8457 k =-0.5000 0.2019 0.5298 ( 2836 PWs) bands (ev): -31.3787 -31.3787 -31.3695 -31.3695 -12.4566 -12.4566 -12.4305 -12.4305 -11.1284 -11.1284 -11.0879 -11.0879 -10.9110 -10.9110 -10.8777 -10.8777 1.3501 1.3501 3.8246 3.8246 6.1406 6.1406 8.3986 8.3986 8.7592 8.7592 9.8591 9.8591 10.3775 10.3775 11.6998 11.6998 11.7433 11.7433 12.2491 12.2491 12.9284 12.9284 k =-0.5000 0.2019 0.5122 ( 2828 PWs) bands (ev): -31.3793 -31.3793 -31.3694 -31.3694 -12.4559 -12.4559 -12.4278 -12.4278 -11.1270 -11.1270 -11.0836 -11.0836 -10.9128 -10.9128 -10.8769 -10.8769 1.2742 1.2742 3.9469 3.9469 6.0667 6.0667 8.4846 8.4846 8.7272 8.7272 9.9261 9.9261 10.3279 10.3279 11.7183 11.7183 11.7794 11.7794 12.2489 12.2489 13.0125 13.0125 k =-0.5000 0.2019 0.4945 ( 2830 PWs) bands (ev): -31.3800 -31.3800 -31.3694 -31.3694 -12.4552 -12.4552 -12.4251 -12.4251 -11.1253 -11.1253 -11.0792 -11.0792 -10.9147 -10.9147 -10.8762 -10.8762 1.2006 1.2006 4.0687 4.0687 5.9973 5.9973 8.5658 8.5658 8.6969 8.6969 9.9954 9.9954 10.2802 10.2802 11.7234 11.7234 11.8333 11.8333 12.2509 12.2509 13.0976 13.0976 k =-0.5000 0.2019 0.4768 ( 2826 PWs) bands (ev): -31.3807 -31.3807 -31.3694 -31.3694 -12.4543 -12.4543 -12.4223 -12.4223 -11.1235 -11.1235 -11.0747 -11.0747 -10.9165 -10.9165 -10.8755 -10.8755 1.1295 1.1295 4.1892 4.1892 5.9333 5.9333 8.6326 8.6326 8.6773 8.6773 10.0671 10.0671 10.2345 10.2345 11.7300 11.7300 11.8905 11.8905 12.2553 12.2553 13.1836 13.1836 k =-0.5000 0.2019 0.4592 ( 2830 PWs) bands (ev): -31.3813 -31.3813 -31.3695 -31.3695 -12.4534 -12.4534 -12.4195 -12.4195 -11.1214 -11.1214 -11.0701 -11.0701 -10.9183 -10.9183 -10.8748 -10.8748 1.0608 1.0608 4.3071 4.3071 5.8758 5.8758 8.6269 8.6269 8.7261 8.7261 10.1410 10.1410 10.1910 10.1910 11.7400 11.7400 11.9486 11.9486 12.2621 12.2621 13.2681 13.2681 k =-0.5000 0.2019 0.4415 ( 2832 PWs) bands (ev): -31.3820 -31.3820 -31.3695 -31.3695 -12.4524 -12.4524 -12.4167 -12.4167 -11.1191 -11.1191 -11.0654 -11.0654 -10.9201 -10.9201 -10.8742 -10.8742 0.9945 0.9945 4.4208 4.4208 5.8267 5.8267 8.5994 8.5994 8.7919 8.7919 10.1496 10.1496 10.2175 10.2175 11.7535 11.7535 12.0070 12.0070 12.2715 12.2715 13.1642 13.1642 k =-0.5000 0.2019 0.4239 ( 2836 PWs) bands (ev): -31.3827 -31.3827 -31.3696 -31.3696 -12.4514 -12.4514 -12.4138 -12.4138 -11.1167 -11.1167 -11.0608 -11.0608 -10.9219 -10.9219 -10.8736 -10.8736 0.9308 0.9308 4.5278 4.5278 5.7882 5.7882 8.5711 8.5711 8.8534 8.8534 10.1108 10.1108 10.2963 10.2963 11.7707 11.7707 12.0649 12.0649 12.2839 12.2839 13.0339 13.0339 k =-0.5000 0.2019 0.4062 ( 2828 PWs) bands (ev): -31.3834 -31.3834 -31.3696 -31.3696 -12.4503 -12.4503 -12.4110 -12.4110 -11.1142 -11.1142 -11.0561 -11.0561 -10.9236 -10.9236 -10.8731 -10.8731 0.8695 0.8695 4.6250 4.6250 5.7636 5.7636 8.5431 8.5431 8.9090 8.9090 10.0744 10.0744 10.3775 10.3775 11.7915 11.7915 12.1209 12.1209 12.2996 12.2996 12.9015 12.9015 k =-0.5000 0.2019 0.3885 ( 2828 PWs) bands (ev): -31.3841 -31.3841 -31.3697 -31.3697 -12.4491 -12.4491 -12.4082 -12.4082 -11.1114 -11.1114 -11.0515 -11.0515 -10.9253 -10.9253 -10.8725 -10.8725 0.8107 0.8107 4.7085 4.7085 5.7569 5.7569 8.5157 8.5157 8.9580 8.9580 10.0405 10.0405 10.4611 10.4611 11.8157 11.8157 12.1723 12.1723 12.3193 12.3193 12.7724 12.7724 k =-0.5000 0.2019 0.3709 ( 2834 PWs) bands (ev): -31.3847 -31.3847 -31.3698 -31.3698 -12.4480 -12.4480 -12.4055 -12.4055 -11.1086 -11.1086 -11.0469 -11.0469 -10.9270 -10.9270 -10.8720 -10.8720 0.7544 0.7544 4.7740 4.7740 5.7721 5.7721 8.4891 8.4891 9.0001 9.0001 10.0089 10.0089 10.5472 10.5472 11.8433 11.8433 12.2117 12.2117 12.3432 12.3432 12.6546 12.6546 k =-0.5000 0.2019 0.3532 ( 2838 PWs) bands (ev): -31.3854 -31.3854 -31.3699 -31.3699 -12.4469 -12.4469 -12.4027 -12.4027 -11.1057 -11.1057 -11.0424 -11.0424 -10.9285 -10.9285 -10.8715 -10.8715 0.7006 0.7006 4.8189 4.8189 5.8119 5.8119 8.4633 8.4633 9.0355 9.0355 9.9795 9.9795 10.6357 10.6357 11.8740 11.8740 12.2208 12.2208 12.3710 12.3710 12.5678 12.5678 k =-0.5000 0.2019 0.3356 ( 2834 PWs) bands (ev): -31.3860 -31.3860 -31.3700 -31.3700 -12.4457 -12.4457 -12.4001 -12.4001 -11.1027 -11.1027 -11.0381 -11.0381 -10.9301 -10.9301 -10.8710 -10.8710 0.6494 0.6494 4.8433 4.8433 5.8762 5.8762 8.4384 8.4384 9.0641 9.0641 9.9522 9.9522 10.7267 10.7267 11.9076 11.9076 12.1720 12.1720 12.4025 12.4025 12.5405 12.5405 k =-0.5000 0.2019 0.3179 ( 2834 PWs) bands (ev): -31.3867 -31.3867 -31.3702 -31.3702 -12.4445 -12.4445 -12.3975 -12.3975 -11.0997 -11.0997 -11.0338 -11.0338 -10.9315 -10.9315 -10.8705 -10.8705 0.6007 0.6007 4.8498 4.8498 5.9623 5.9623 8.4145 8.4145 9.0864 9.0864 9.9265 9.9265 10.8200 10.8200 11.9440 11.9440 12.0708 12.0708 12.4393 12.4393 12.5655 12.5655 k =-0.5000 0.2019 0.3002 ( 2830 PWs) bands (ev): -31.3873 -31.3873 -31.3703 -31.3703 -12.4434 -12.4434 -12.3950 -12.3950 -11.0966 -11.0966 -11.0297 -11.0297 -10.9329 -10.9329 -10.8700 -10.8700 0.5546 0.5546 4.8429 4.8429 6.0656 6.0656 8.3915 8.3915 9.1028 9.1028 9.9024 9.9024 10.9158 10.9158 11.9448 11.9448 11.9830 11.9830 12.4823 12.4823 12.6143 12.6143 k =-0.5000 0.2019 0.2826 ( 2836 PWs) bands (ev): -31.3879 -31.3879 -31.3704 -31.3704 -12.4423 -12.4423 -12.3925 -12.3925 -11.0935 -11.0935 -11.0258 -11.0258 -10.9342 -10.9342 -10.8695 -10.8695 0.5110 0.5110 4.8265 4.8265 6.1820 6.1820 8.3696 8.3696 9.1141 9.1141 9.8794 9.8794 11.0138 11.0138 11.8086 11.8086 12.0241 12.0241 12.5313 12.5313 12.6727 12.6727 k =-0.5000 0.2019 0.2649 ( 2840 PWs) bands (ev): -31.3884 -31.3884 -31.3706 -31.3706 -12.4412 -12.4412 -12.3902 -12.3902 -11.0904 -11.0904 -11.0221 -11.0221 -10.9354 -10.9354 -10.8691 -10.8691 0.4700 0.4700 4.8042 4.8042 6.3079 6.3079 8.3488 8.3488 9.1209 9.1209 9.8573 9.8573 11.1141 11.1141 11.6674 11.6674 12.0671 12.0671 12.5858 12.5858 12.7352 12.7352 k =-0.5000 0.2019 0.2473 ( 2836 PWs) bands (ev): -31.3890 -31.3890 -31.3707 -31.3707 -12.4401 -12.4401 -12.3880 -12.3880 -11.0874 -11.0874 -11.0186 -11.0186 -10.9365 -10.9365 -10.8686 -10.8686 0.4317 0.4317 4.7785 4.7785 6.4406 6.4406 8.3291 8.3291 9.1240 9.1240 9.8359 9.8359 11.2163 11.2163 11.5237 11.5237 12.1118 12.1118 12.6456 12.6456 12.7996 12.7996 k =-0.5000 0.2019 0.2296 ( 2838 PWs) bands (ev): -31.3895 -31.3895 -31.3708 -31.3708 -12.4391 -12.4391 -12.3859 -12.3859 -11.0844 -11.0844 -11.0154 -11.0154 -10.9375 -10.9375 -10.8681 -10.8681 0.3959 0.3959 4.7510 4.7510 6.5780 6.5780 8.3105 8.3105 9.1241 9.1241 9.8152 9.8152 11.3168 11.3168 11.3823 11.3823 12.1576 12.1576 12.7102 12.7102 12.8643 12.8643 k =-0.5000 0.2019 0.2119 ( 2846 PWs) bands (ev): -31.3900 -31.3900 -31.3710 -31.3710 -12.4382 -12.4382 -12.3839 -12.3839 -11.0815 -11.0815 -11.0125 -11.0125 -10.9384 -10.9384 -10.8677 -10.8677 0.3627 0.3627 4.7231 4.7231 6.7186 6.7186 8.2932 8.2932 9.1219 9.1219 9.7951 9.7951 11.2284 11.2284 11.4310 11.4310 12.2043 12.2043 12.7789 12.7789 12.9283 12.9283 k =-0.5000 0.2019 0.1943 ( 2844 PWs) bands (ev): -31.3904 -31.3904 -31.3711 -31.3711 -12.4373 -12.4373 -12.3821 -12.3821 -11.0787 -11.0787 -11.0098 -11.0098 -10.9391 -10.9391 -10.8672 -10.8672 0.3321 0.3321 4.6956 4.6956 6.8609 6.8609 8.2771 8.2771 9.1180 9.1180 9.7757 9.7757 11.0824 11.0824 11.5390 11.5390 12.2513 12.2513 12.8511 12.8511 12.9907 12.9907 k =-0.5000 0.2019 0.1766 ( 2848 PWs) bands (ev): -31.3909 -31.3909 -31.3712 -31.3712 -12.4365 -12.4365 -12.3804 -12.3804 -11.0761 -11.0761 -11.0074 -11.0074 -10.9398 -10.9398 -10.8668 -10.8668 0.3042 0.3042 4.6693 4.6693 7.0039 7.0039 8.2623 8.2623 9.1130 9.1130 9.7571 9.7571 10.9364 10.9364 11.6495 11.6495 12.2981 12.2981 12.9261 12.9261 13.0506 13.0506 k =-0.5000 0.2019 0.1589 ( 2844 PWs) bands (ev): -31.3912 -31.3912 -31.3713 -31.3713 -12.4357 -12.4357 -12.3788 -12.3788 -11.0736 -11.0736 -11.0052 -11.0052 -10.9403 -10.9403 -10.8663 -10.8663 0.2789 0.2789 4.6446 4.6446 7.1461 7.1461 8.2488 8.2488 9.1073 9.1073 9.7394 9.7394 10.7916 10.7916 11.7619 11.7619 12.3441 12.3441 13.0027 13.0027 13.1071 13.1071 k =-0.5000 0.2019 0.1413 ( 2850 PWs) bands (ev): -31.3916 -31.3916 -31.3714 -31.3714 -12.4350 -12.4350 -12.3774 -12.3774 -11.0713 -11.0713 -11.0034 -11.0034 -10.9408 -10.9408 -10.8659 -10.8659 0.2562 0.2562 4.6218 4.6218 7.2863 7.2863 8.2366 8.2366 9.1013 9.1013 9.7229 9.7229 10.6494 10.6494 11.8756 11.8756 12.3885 12.3885 13.0793 13.0793 13.1598 13.1598 k =-0.5000 0.2019 0.1236 ( 2850 PWs) bands (ev): -31.3919 -31.3919 -31.3715 -31.3715 -12.4344 -12.4344 -12.3762 -12.3762 -11.0692 -11.0692 -11.0018 -11.0018 -10.9411 -10.9411 -10.8656 -10.8656 0.2362 0.2362 4.6012 4.6012 7.4229 7.4229 8.2259 8.2259 9.0953 9.0953 9.7078 9.7078 10.5112 10.5112 11.9904 11.9904 12.4307 12.4307 13.1521 13.1521 13.2102 13.2102 k =-0.5000 0.2019 0.1060 ( 2854 PWs) bands (ev): -31.3922 -31.3922 -31.3716 -31.3716 -12.4338 -12.4338 -12.3751 -12.3751 -11.0674 -11.0674 -11.0005 -11.0005 -10.9414 -10.9414 -10.8652 -10.8652 0.2188 0.2188 4.5830 4.5830 7.5537 7.5537 8.2165 8.2165 9.0897 9.0897 9.6942 9.6942 10.3790 10.3790 12.1056 12.1056 12.4699 12.4699 13.2112 13.2112 13.2659 13.2659 k =-0.5000 0.2019 0.0883 ( 2854 PWs) bands (ev): -31.3924 -31.3924 -31.3717 -31.3717 -12.4334 -12.4334 -12.3741 -12.3741 -11.0658 -11.0658 -10.9995 -10.9995 -10.9416 -10.9416 -10.8649 -10.8649 0.2041 0.2041 4.5674 4.5674 7.6762 7.6762 8.2085 8.2085 9.0846 9.0846 9.6824 9.6824 10.2554 10.2554 12.2204 12.2204 12.5052 12.5052 13.2496 13.2496 13.3318 13.3318 k =-0.5000 0.2019 0.0706 ( 2854 PWs) bands (ev): -31.3926 -31.3926 -31.3718 -31.3718 -12.4330 -12.4330 -12.3734 -12.3734 -11.0644 -11.0644 -10.9986 -10.9986 -10.9417 -10.9417 -10.8647 -10.8647 0.1921 0.1921 4.5545 4.5545 7.7870 7.7870 8.2019 8.2019 9.0802 9.0802 9.6724 9.6724 10.1437 10.1437 12.3330 12.3330 12.5357 12.5357 13.2742 13.2742 13.3987 13.3987 k =-0.5000 0.2019 0.0530 ( 2858 PWs) bands (ev): -31.3927 -31.3927 -31.3718 -31.3718 -12.4327 -12.4327 -12.3728 -12.3728 -11.0633 -11.0633 -10.9980 -10.9980 -10.9418 -10.9418 -10.8645 -10.8645 0.1828 0.1828 4.5444 4.5444 7.8816 7.8816 8.1968 8.1968 9.0767 9.0767 9.6645 9.6645 10.0482 10.0482 12.4406 12.4406 12.5609 12.5609 13.2900 13.2900 13.3833 13.3833 k =-0.5000 0.2019 0.0353 ( 2858 PWs) bands (ev): -31.3928 -31.3928 -31.3719 -31.3719 -12.4325 -12.4325 -12.3723 -12.3723 -11.0626 -11.0626 -10.9975 -10.9975 -10.9419 -10.9419 -10.8643 -10.8643 0.1761 0.1761 4.5371 4.5371 7.9551 7.9551 8.1931 8.1931 9.0741 9.0741 9.6588 9.6588 9.9742 9.9742 12.5359 12.5359 12.5812 12.5812 13.2836 13.2836 13.3012 13.3012 k =-0.5000 0.2019 0.0177 ( 2854 PWs) bands (ev): -31.3929 -31.3929 -31.3719 -31.3719 -12.4323 -12.4323 -12.3721 -12.3721 -11.0621 -11.0621 -10.9973 -10.9973 -10.9419 -10.9419 -10.8642 -10.8642 0.1720 0.1720 4.5327 4.5327 8.0021 8.0021 8.1909 8.1909 9.0725 9.0725 9.6554 9.6554 9.9269 9.9269 12.5845 12.5845 12.6178 12.6178 13.2097 13.2097 13.3052 13.3052 k =-0.5000 0.2019 0.0000 ( 2844 PWs) bands (ev): -31.3929 -31.3929 -31.3719 -31.3719 -12.4323 -12.4323 -12.3720 -12.3720 -11.0619 -11.0619 -10.9972 -10.9972 -10.9419 -10.9419 -10.8642 -10.8642 0.1707 0.1707 4.5312 4.5312 8.0183 8.0183 8.1902 8.1902 9.0720 9.0720 9.6542 9.6542 9.9106 9.9106 12.5904 12.5904 12.6451 12.6451 13.1801 13.1801 13.3067 13.3067 k = 0.0000 0.0000 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4383 -12.4383 -12.4383 -12.4383 -11.0493 -11.0493 -11.0493 -11.0493 -10.9837 -10.9837 -10.9837 -10.9837 2.2691 2.2691 2.2691 2.2691 7.8956 7.8956 7.8956 7.8956 8.7099 8.7099 8.7099 8.7099 10.0660 10.0660 10.0660 10.0660 13.7100 13.7100 13.7100 13.7100 14.1451 14.1451 k =-0.0167 0.0067 0.7418 ( 2840 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4383 -12.4383 -12.4383 -12.4383 -11.0499 -11.0499 -11.0499 -11.0499 -10.9832 -10.9832 -10.9832 -10.9832 2.2695 2.2695 2.2695 2.2695 7.8937 7.8937 7.8937 7.8937 8.7110 8.7110 8.7110 8.7110 10.0674 10.0674 10.0674 10.0674 13.7108 13.7108 13.7108 13.7108 14.1339 14.1339 k =-0.0333 0.0135 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4385 -12.4385 -12.4385 -12.4385 -11.0513 -11.0513 -11.0513 -11.0513 -10.9816 -10.9816 -10.9816 -10.9816 2.2709 2.2709 2.2709 2.2709 7.8880 7.8880 7.8880 7.8880 8.7142 8.7142 8.7142 8.7142 10.0718 10.0718 10.0718 10.0718 13.7133 13.7133 13.7133 13.7133 14.1013 14.1013 k =-0.0500 0.0202 0.7418 ( 2846 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4387 -12.4387 -12.4387 -12.4387 -11.0536 -11.0536 -11.0536 -11.0536 -10.9790 -10.9790 -10.9790 -10.9790 2.2730 2.2730 2.2730 2.2730 7.8786 7.8786 7.8786 7.8786 8.7195 8.7195 8.7195 8.7195 10.0791 10.0791 10.0791 10.0791 13.7169 13.7169 13.7169 13.7169 14.0499 14.0499 k =-0.0667 0.0269 0.7418 ( 2838 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4390 -12.4390 -12.4390 -12.4390 -11.0566 -11.0566 -11.0566 -11.0566 -10.9758 -10.9758 -10.9758 -10.9758 2.2761 2.2761 2.2761 2.2761 7.8656 7.8656 7.8656 7.8656 8.7270 8.7270 8.7270 8.7270 10.0893 10.0893 10.0893 10.0893 13.7209 13.7209 13.7209 13.7209 13.9833 13.9833 k =-0.0833 0.0337 0.7418 ( 2840 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4394 -12.4394 -12.4394 -12.4394 -11.0600 -11.0600 -11.0600 -11.0600 -10.9720 -10.9720 -10.9720 -10.9720 2.2799 2.2799 2.2799 2.2799 7.8491 7.8491 7.8491 7.8491 8.7365 8.7365 8.7365 8.7365 10.1026 10.1026 10.1026 10.1026 13.7241 13.7241 13.7241 13.7241 13.9053 13.9053 k =-0.1000 0.0404 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4398 -12.4398 -12.4398 -12.4398 -11.0637 -11.0637 -11.0637 -11.0637 -10.9678 -10.9678 -10.9678 -10.9678 2.2846 2.2846 2.2846 2.2846 7.8294 7.8294 7.8294 7.8294 8.7481 8.7481 8.7481 8.7481 10.1189 10.1189 10.1189 10.1189 13.7234 13.7234 13.7234 13.7234 13.8207 13.8207 k =-0.1167 0.0471 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4403 -12.4403 -12.4403 -12.4403 -11.0676 -11.0676 -11.0676 -11.0676 -10.9633 -10.9633 -10.9633 -10.9633 2.2900 2.2900 2.2900 2.2900 7.8066 7.8066 7.8066 7.8066 8.7615 8.7615 8.7615 8.7615 10.1383 10.1383 10.1383 10.1383 13.6992 13.6992 13.6992 13.6992 13.7505 13.7505 k =-0.1333 0.0538 0.7418 ( 2840 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4409 -12.4409 -12.4409 -12.4409 -11.0717 -11.0717 -11.0717 -11.0717 -10.9587 -10.9587 -10.9587 -10.9587 2.2961 2.2961 2.2961 2.2961 7.7811 7.7811 7.7811 7.7811 8.7769 8.7769 8.7769 8.7769 10.1609 10.1609 10.1609 10.1609 13.6150 13.6150 13.6150 13.6150 13.7316 13.7316 k =-0.1500 0.0606 0.7418 ( 2844 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4416 -12.4416 -12.4416 -12.4416 -11.0758 -11.0758 -11.0758 -11.0758 -10.9539 -10.9539 -10.9539 -10.9539 2.3028 2.3028 2.3028 2.3028 7.7532 7.7532 7.7532 7.7532 8.7941 8.7941 8.7941 8.7941 10.1866 10.1866 10.1866 10.1866 13.5163 13.5163 13.5163 13.5163 13.7185 13.7185 k =-0.1667 0.0673 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4423 -12.4423 -12.4423 -12.4423 -11.0799 -11.0799 -11.0799 -11.0799 -10.9491 -10.9491 -10.9491 -10.9491 2.3101 2.3101 2.3101 2.3101 7.7231 7.7231 7.7231 7.7231 8.8129 8.8129 8.8129 8.8129 10.2156 10.2156 10.2156 10.2156 13.4146 13.4146 13.4146 13.4146 13.6993 13.6993 k =-0.1833 0.0740 0.7418 ( 2844 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4430 -12.4430 -12.4430 -12.4430 -11.0839 -11.0839 -11.0839 -11.0839 -10.9444 -10.9444 -10.9444 -10.9444 2.3179 2.3179 2.3179 2.3179 7.6913 7.6913 7.6913 7.6913 8.8334 8.8334 8.8334 8.8334 10.2476 10.2476 10.2476 10.2476 13.3122 13.3122 13.3122 13.3122 13.6717 13.6717 k =-0.2000 0.0808 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4438 -12.4438 -12.4438 -12.4438 -11.0878 -11.0878 -11.0878 -11.0878 -10.9396 -10.9396 -10.9396 -10.9396 2.3262 2.3262 2.3262 2.3262 7.6581 7.6581 7.6581 7.6581 8.8552 8.8552 8.8552 8.8552 10.2828 10.2828 10.2828 10.2828 13.2101 13.2101 13.2101 13.2101 13.6346 13.6346 k =-0.2167 0.0875 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4446 -12.4446 -12.4446 -12.4446 -11.0916 -11.0916 -11.0916 -11.0916 -10.9350 -10.9350 -10.9350 -10.9350 2.3348 2.3348 2.3348 2.3348 7.6239 7.6239 7.6239 7.6239 8.8784 8.8784 8.8784 8.8784 10.3210 10.3210 10.3210 10.3210 13.1093 13.1093 13.1093 13.1093 13.5877 13.5877 k =-0.2333 0.0942 0.7418 ( 2844 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4454 -12.4454 -12.4454 -12.4454 -11.0953 -11.0953 -11.0953 -11.0953 -10.9305 -10.9305 -10.9305 -10.9305 2.3436 2.3436 2.3436 2.3436 7.5891 7.5891 7.5891 7.5891 8.9026 8.9026 8.9026 8.9026 10.3620 10.3620 10.3620 10.3620 13.0103 13.0103 13.0103 13.0103 13.5314 13.5314 k =-0.2500 0.1010 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4463 -12.4463 -12.4463 -12.4463 -11.0988 -11.0988 -11.0988 -11.0988 -10.9261 -10.9261 -10.9261 -10.9261 2.3527 2.3527 2.3527 2.3527 7.5540 7.5540 7.5540 7.5540 8.9277 8.9277 8.9277 8.9277 10.4059 10.4059 10.4059 10.4059 12.9137 12.9137 12.9137 12.9137 13.4668 13.4668 k =-0.2667 0.1077 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4471 -12.4471 -12.4471 -12.4471 -11.1022 -11.1022 -11.1022 -11.1022 -10.9219 -10.9219 -10.9219 -10.9219 2.3618 2.3618 2.3618 2.3618 7.5191 7.5191 7.5191 7.5191 8.9535 8.9535 8.9535 8.9535 10.4523 10.4523 10.4523 10.4523 12.8201 12.8201 12.8201 12.8201 13.3950 13.3950 k =-0.2833 0.1144 0.7418 ( 2854 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4479 -12.4479 -12.4479 -12.4479 -11.1053 -11.1053 -11.1053 -11.1053 -10.9179 -10.9179 -10.9179 -10.9179 2.3709 2.3709 2.3709 2.3709 7.4848 7.4848 7.4848 7.4848 8.9798 8.9798 8.9798 8.9798 10.5010 10.5010 10.5010 10.5010 12.7299 12.7299 12.7299 12.7299 13.3178 13.3178 k =-0.3000 0.1212 0.7418 ( 2844 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4487 -12.4487 -12.4487 -12.4487 -11.1083 -11.1083 -11.1083 -11.1083 -10.9142 -10.9142 -10.9142 -10.9142 2.3798 2.3798 2.3798 2.3798 7.4513 7.4513 7.4513 7.4513 9.0061 9.0061 9.0061 9.0061 10.5518 10.5518 10.5518 10.5518 12.6438 12.6438 12.6438 12.6438 13.2365 13.2365 k =-0.3167 0.1279 0.7418 ( 2848 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4495 -12.4495 -12.4495 -12.4495 -11.1111 -11.1111 -11.1111 -11.1111 -10.9106 -10.9106 -10.9106 -10.9106 2.3886 2.3886 2.3886 2.3886 7.4191 7.4191 7.4191 7.4191 9.0324 9.0324 9.0324 9.0324 10.6041 10.6041 10.6041 10.6041 12.5620 12.5620 12.5620 12.5620 13.1527 13.1527 k =-0.3333 0.1346 0.7418 ( 2842 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4503 -12.4503 -12.4503 -12.4503 -11.1136 -11.1136 -11.1136 -11.1136 -10.9073 -10.9073 -10.9073 -10.9073 2.3970 2.3970 2.3970 2.3970 7.3885 7.3885 7.3885 7.3885 9.0582 9.0582 9.0582 9.0582 10.6576 10.6576 10.6576 10.6576 12.4852 12.4852 12.4852 12.4852 13.0678 13.0678 k =-0.3500 0.1413 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4510 -12.4510 -12.4510 -12.4510 -11.1159 -11.1159 -11.1159 -11.1159 -10.9043 -10.9043 -10.9043 -10.9043 2.4049 2.4049 2.4049 2.4049 7.3598 7.3598 7.3598 7.3598 9.0831 9.0831 9.0831 9.0831 10.7117 10.7117 10.7117 10.7117 12.4137 12.4137 12.4137 12.4137 12.9834 12.9834 k =-0.3667 0.1481 0.7418 ( 2838 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4516 -12.4516 -12.4516 -12.4516 -11.1180 -11.1180 -11.1180 -11.1180 -10.9016 -10.9016 -10.9016 -10.9016 2.4124 2.4124 2.4124 2.4124 7.3333 7.3333 7.3333 7.3333 9.1069 9.1069 9.1069 9.1069 10.7656 10.7656 10.7656 10.7656 12.3481 12.3481 12.3481 12.3481 12.9008 12.9008 k =-0.3833 0.1548 0.7418 ( 2838 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4522 -12.4522 -12.4522 -12.4522 -11.1198 -11.1198 -11.1198 -11.1198 -10.8991 -10.8991 -10.8991 -10.8991 2.4192 2.4192 2.4192 2.4192 7.3093 7.3093 7.3093 7.3093 9.1291 9.1291 9.1291 9.1291 10.8185 10.8185 10.8185 10.8185 12.2887 12.2887 12.2887 12.2887 12.8215 12.8215 k =-0.4000 0.1615 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4527 -12.4527 -12.4527 -12.4527 -11.1214 -11.1214 -11.1214 -11.1214 -10.8970 -10.8970 -10.8970 -10.8970 2.4253 2.4253 2.4253 2.4253 7.2879 7.2879 7.2879 7.2879 9.1494 9.1494 9.1494 9.1494 10.8692 10.8692 10.8692 10.8692 12.2362 12.2362 12.2362 12.2362 12.7470 12.7470 k =-0.4167 0.1683 0.7418 ( 2830 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4532 -12.4532 -12.4532 -12.4532 -11.1228 -11.1228 -11.1228 -11.1228 -10.8952 -10.8952 -10.8952 -10.8952 2.4306 2.4306 2.4306 2.4306 7.2695 7.2695 7.2695 7.2695 9.1674 9.1674 9.1674 9.1674 10.9165 10.9165 10.9165 10.9165 12.1909 12.1909 12.1909 12.1909 12.6791 12.6791 k =-0.4333 0.1750 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4535 -12.4535 -12.4535 -12.4535 -11.1239 -11.1239 -11.1239 -11.1239 -10.8937 -10.8937 -10.8937 -10.8937 2.4350 2.4350 2.4350 2.4350 7.2542 7.2542 7.2542 7.2542 9.1826 9.1826 9.1826 9.1826 10.9588 10.9588 10.9588 10.9588 12.1531 12.1531 12.1531 12.1531 12.6195 12.6195 k =-0.4500 0.1817 0.7418 ( 2842 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4538 -12.4538 -12.4538 -12.4538 -11.1248 -11.1248 -11.1248 -11.1248 -10.8925 -10.8925 -10.8925 -10.8925 2.4385 2.4385 2.4385 2.4385 7.2421 7.2421 7.2421 7.2421 9.1948 9.1948 9.1948 9.1948 10.9944 10.9944 10.9944 10.9944 12.1234 12.1234 12.1234 12.1234 12.5703 12.5703 k =-0.4667 0.1885 0.7418 ( 2842 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4541 -12.4541 -12.4541 -12.4541 -11.1254 -11.1254 -11.1254 -11.1254 -10.8916 -10.8916 -10.8916 -10.8916 2.4411 2.4411 2.4411 2.4411 7.2333 7.2333 7.2333 7.2333 9.2038 9.2038 9.2038 9.2038 11.0215 11.0215 11.0215 11.0215 12.1019 12.1019 12.1019 12.1019 12.5333 12.5333 k =-0.4833 0.1952 0.7418 ( 2834 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4542 -12.4542 -12.4542 -12.4542 -11.1258 -11.1258 -11.1258 -11.1258 -10.8911 -10.8911 -10.8911 -10.8911 2.4426 2.4426 2.4426 2.4426 7.2281 7.2281 7.2281 7.2281 9.2093 9.2093 9.2093 9.2093 11.0386 11.0386 11.0386 11.0386 12.0889 12.0889 12.0889 12.0889 12.5103 12.5103 k =-0.5000 0.2019 0.7418 ( 2836 PWs) bands (ev): -31.3722 -31.3722 -31.3722 -31.3722 -12.4542 -12.4542 -12.4542 -12.4542 -11.1259 -11.1259 -11.1259 -11.1259 -10.8910 -10.8910 -10.8910 -10.8910 2.4431 2.4431 2.4431 2.4431 7.2263 7.2263 7.2263 7.2263 9.2111 9.2111 9.2111 9.2111 11.0444 11.0444 11.0444 11.0444 12.0846 12.0846 12.0846 12.0846 12.5025 12.5025 Writing output data file YSi.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 123.77s CPU 126.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 123.76s CPU 126.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 422 calls) cegterg : 110.72s CPU 112.50s WALL ( 626 calls) Called by sum_band: Called by *egterg: h_psi : 60.05s CPU 61.20s WALL ( 9995 calls) s_psi : 4.56s CPU 4.57s WALL ( 9995 calls) g_psi : 0.14s CPU 0.15s WALL ( 8947 calls) cdiaghg : 46.86s CPU 47.50s WALL ( 9369 calls) cegterg:over : 3.52s CPU 3.54s WALL ( 8947 calls) cegterg:upda : 2.78s CPU 2.78s WALL ( 8947 calls) cegterg:last : 1.40s CPU 1.49s WALL ( 1490 calls) cdiaghg:chol : 2.44s CPU 2.54s WALL ( 9369 calls) cdiaghg:inve : 1.40s CPU 1.42s WALL ( 9369 calls) cdiaghg:para : 2.62s CPU 2.69s WALL ( 18738 calls) Called by h_psi: h_psi:vloc : 50.52s CPU 51.58s WALL ( 9995 calls) h_psi:vnl : 9.38s CPU 9.49s WALL ( 9995 calls) add_vuspsi : 5.02s CPU 5.23s WALL ( 9995 calls) General routines calbec : 4.32s CPU 4.23s WALL ( 9995 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.28s CPU 47.27s WALL ( 778404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.19s WALL ( 844 calls) Parallel routines fft_scatter : 19.01s CPU 19.16s WALL ( 778427 calls) PWSCF : 2m16.81s CPU 3m20.83s WALL This run was terminated on: 21:19:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=