Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:10:35 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CaAg.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 38 11 1759 964 153 Max 58 39 12 1762 975 156 Sum 1833 1223 361 56335 30987 4957 bravais-lattice index = 14 lattice parameter (alat) = 11.5117 a.u. unit-cell volume = 734.8886 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.511704 celldm(2)= 1.000000 celldm(3)= 0.763330 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.775711 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.775711 0.631089 0.000000 ) a(3) = ( 0.000000 0.000000 0.763330 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.229162 -0.000000 ) b(2) = ( 0.000000 1.584563 -0.000000 ) b(3) = ( 0.000000 0.000000 1.310050 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Ca 10.00 40.07800 Ca( 1.00) Ag 11.00 107.86820 Ag( 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 ) ( -0.3816648 ) 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 ) ( -0.3816648 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0063995 0.0180064 -0.0000000), wk = 0.0025641 k( 3) = ( 0.0127990 0.0360128 -0.0000000), wk = 0.0025641 k( 4) = ( 0.0191985 0.0540192 -0.0000000), wk = 0.0025641 k( 5) = ( 0.0255980 0.0720256 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0319974 0.0900320 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0383969 0.1080384 -0.0000000), wk = 0.0025641 k( 8) = ( 0.0447964 0.1260448 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0511959 0.1440512 -0.0000000), wk = 0.0025641 k( 10) = ( 0.0575954 0.1620576 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0639949 0.1800640 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0703943 0.1980704 -0.0000000), wk = 0.0025641 k( 13) = ( 0.0767938 0.2160768 -0.0000000), wk = 0.0025641 k( 14) = ( 0.0831933 0.2340832 -0.0000000), wk = 0.0025641 k( 15) = ( 0.0895928 0.2520896 -0.0000000), wk = 0.0025641 k( 16) = ( 0.0959923 0.2700960 -0.0000000), wk = 0.0025641 k( 17) = ( 0.1023918 0.2881024 -0.0000000), wk = 0.0025641 k( 18) = ( 0.1087913 0.3061088 -0.0000000), wk = 0.0025641 k( 19) = ( 0.1151908 0.3241152 -0.0000000), wk = 0.0025641 k( 20) = ( 0.1215902 0.3421216 -0.0000000), wk = 0.0025641 k( 21) = ( 0.1279897 0.3601280 -0.0000000), wk = 0.0025641 k( 22) = ( 0.1343892 0.3781344 -0.0000000), wk = 0.0025641 k( 23) = ( 0.1407887 0.3961408 -0.0000000), wk = 0.0025641 k( 24) = ( 0.1471882 0.4141472 -0.0000000), wk = 0.0025641 k( 25) = ( 0.1535877 0.4321536 -0.0000000), wk = 0.0025641 k( 26) = ( 0.1599872 0.4501600 -0.0000000), wk = 0.0025641 k( 27) = ( 0.1663866 0.4681664 -0.0000000), wk = 0.0025641 k( 28) = ( 0.1727861 0.4861728 -0.0000000), wk = 0.0025641 k( 29) = ( 0.1791856 0.5041792 -0.0000000), wk = 0.0025641 k( 30) = ( 0.1855851 0.5221856 -0.0000000), wk = 0.0025641 k( 31) = ( 0.1919846 0.5401920 -0.0000000), wk = 0.0025641 k( 32) = ( 0.1983841 0.5581984 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2047836 0.5762048 -0.0000000), wk = 0.0025641 k( 34) = ( 0.2111831 0.5942112 -0.0000000), wk = 0.0025641 k( 35) = ( 0.2175826 0.6122176 -0.0000000), wk = 0.0025641 k( 36) = ( 0.2239820 0.6302239 -0.0000000), wk = 0.0025641 k( 37) = ( 0.2303815 0.6482304 -0.0000000), wk = 0.0025641 k( 38) = ( 0.2367810 0.6662368 -0.0000000), wk = 0.0025641 k( 39) = ( 0.2431805 0.6842431 -0.0000000), wk = 0.0025641 k( 40) = ( 0.2495800 0.7022496 -0.0000000), wk = 0.0025641 k( 41) = ( 0.2559795 0.7202560 -0.0000000), wk = 0.0025641 k( 42) = ( 0.2623789 0.7382623 -0.0000000), wk = 0.0025641 k( 43) = ( 0.2687784 0.7562687 -0.0000000), wk = 0.0025641 k( 44) = ( 0.2751779 0.7742752 -0.0000000), wk = 0.0025641 k( 45) = ( 0.2815774 0.7922815 -0.0000000), wk = 0.0025641 k( 46) = ( 0.2815774 0.7922815 -0.0000000), wk = 0.0025641 k( 47) = ( 0.2628056 0.7922816 -0.0000000), wk = 0.0025641 k( 48) = ( 0.2440338 0.7922816 -0.0000000), wk = 0.0025641 k( 49) = ( 0.2252619 0.7922815 -0.0000000), wk = 0.0025641 k( 50) = ( 0.2064901 0.7922815 -0.0000000), wk = 0.0025641 k( 51) = ( 0.1877183 0.7922815 -0.0000000), wk = 0.0025641 k( 52) = ( 0.1689464 0.7922816 -0.0000000), wk = 0.0025641 k( 53) = ( 0.1501746 0.7922815 -0.0000000), wk = 0.0025641 k( 54) = ( 0.1314028 0.7922815 -0.0000000), wk = 0.0025641 k( 55) = ( 0.1126310 0.7922816 -0.0000000), wk = 0.0025641 k( 56) = ( 0.0938591 0.7922815 -0.0000000), wk = 0.0025641 k( 57) = ( 0.0750873 0.7922816 -0.0000000), wk = 0.0025641 k( 58) = ( 0.0563155 0.7922815 -0.0000000), wk = 0.0025641 k( 59) = ( 0.0375437 0.7922816 -0.0000000), wk = 0.0025641 k( 60) = ( 0.0187718 0.7922815 -0.0000000), wk = 0.0025641 k( 61) = ( 0.0000000 0.7922815 -0.0000000), wk = 0.0025641 k( 62) = ( 0.0000000 0.7922815 -0.0000000), wk = 0.0025641 k( 63) = ( 0.0000000 0.7922815 0.0192654), wk = 0.0025641 k( 64) = ( 0.0000000 0.7922815 0.0385309), wk = 0.0025641 k( 65) = ( 0.0000000 0.7922815 0.0577963), wk = 0.0025641 k( 66) = ( 0.0000000 0.7922815 0.0770618), wk = 0.0025641 k( 67) = ( 0.0000000 0.7922815 0.0963272), wk = 0.0025641 k( 68) = ( 0.0000000 0.7922815 0.1155926), wk = 0.0025641 k( 69) = ( 0.0000000 0.7922815 0.1348581), wk = 0.0025641 k( 70) = ( 0.0000000 0.7922815 0.1541235), wk = 0.0025641 k( 71) = ( 0.0000000 0.7922815 0.1733890), wk = 0.0025641 k( 72) = ( 0.0000000 0.7922815 0.1926544), wk = 0.0025641 k( 73) = ( 0.0000000 0.7922815 0.2119198), wk = 0.0025641 k( 74) = ( 0.0000000 0.7922815 0.2311853), wk = 0.0025641 k( 75) = ( 0.0000000 0.7922815 0.2504507), wk = 0.0025641 k( 76) = ( 0.0000000 0.7922815 0.2697162), wk = 0.0025641 k( 77) = ( 0.0000000 0.7922815 0.2889816), wk = 0.0025641 k( 78) = ( 0.0000000 0.7922815 0.3082470), wk = 0.0025641 k( 79) = ( 0.0000000 0.7922815 0.3275125), wk = 0.0025641 k( 80) = ( 0.0000000 0.7922815 0.3467779), wk = 0.0025641 k( 81) = ( 0.0000000 0.7922815 0.3660434), wk = 0.0025641 k( 82) = ( 0.0000000 0.7922815 0.3853088), wk = 0.0025641 k( 83) = ( 0.0000000 0.7922815 0.4045742), wk = 0.0025641 k( 84) = ( 0.0000000 0.7922815 0.4238397), wk = 0.0025641 k( 85) = ( 0.0000000 0.7922815 0.4431051), wk = 0.0025641 k( 86) = ( 0.0000000 0.7922815 0.4623706), wk = 0.0025641 k( 87) = ( 0.0000000 0.7922815 0.4816360), wk = 0.0025641 k( 88) = ( 0.0000000 0.7922815 0.5009014), wk = 0.0025641 k( 89) = ( 0.0000000 0.7922815 0.5201669), wk = 0.0025641 k( 90) = ( 0.0000000 0.7922815 0.5394323), wk = 0.0025641 k( 91) = ( 0.0000000 0.7922815 0.5586978), wk = 0.0025641 k( 92) = ( 0.0000000 0.7922815 0.5779632), wk = 0.0025641 k( 93) = ( 0.0000000 0.7922815 0.5972286), wk = 0.0025641 k( 94) = ( 0.0000000 0.7922815 0.6164941), wk = 0.0025641 k( 95) = ( 0.0000000 0.7922815 0.6357595), wk = 0.0025641 k( 96) = ( 0.0000000 0.7922815 0.6550250), wk = 0.0025641 k( 97) = ( 0.0000000 0.7922815 0.6550250), wk = 0.0025641 k( 98) = ( 0.0187718 0.7922815 0.6550250), wk = 0.0025641 k( 99) = ( 0.0375437 0.7922816 0.6550250), wk = 0.0025641 k( 100) = ( 0.0563155 0.7922815 0.6550250), wk = 0.0025641 k( 101) = ( 0.0750873 0.7922816 0.6550250), wk = 0.0025641 k( 102) = ( 0.0938591 0.7922815 0.6550250), wk = 0.0025641 k( 103) = ( 0.1126310 0.7922816 0.6550250), wk = 0.0025641 k( 104) = ( 0.1314028 0.7922815 0.6550250), wk = 0.0025641 k( 105) = ( 0.1501746 0.7922815 0.6550250), wk = 0.0025641 k( 106) = ( 0.1689464 0.7922816 0.6550250), wk = 0.0025641 k( 107) = ( 0.1877183 0.7922815 0.6550250), wk = 0.0025641 k( 108) = ( 0.2064901 0.7922815 0.6550250), wk = 0.0025641 k( 109) = ( 0.2252619 0.7922815 0.6550250), wk = 0.0025641 k( 110) = ( 0.2440338 0.7922816 0.6550250), wk = 0.0025641 k( 111) = ( 0.2628056 0.7922816 0.6550250), wk = 0.0025641 k( 112) = ( 0.2815774 0.7922815 0.6550250), wk = 0.0025641 k( 113) = ( 0.2815774 0.7922815 0.6550250), wk = 0.0025641 k( 114) = ( 0.2751779 0.7742752 0.6550250), wk = 0.0025641 k( 115) = ( 0.2687784 0.7562687 0.6550250), wk = 0.0025641 k( 116) = ( 0.2623789 0.7382623 0.6550250), wk = 0.0025641 k( 117) = ( 0.2559795 0.7202560 0.6550250), wk = 0.0025641 k( 118) = ( 0.2495800 0.7022496 0.6550250), wk = 0.0025641 k( 119) = ( 0.2431805 0.6842431 0.6550250), wk = 0.0025641 k( 120) = ( 0.2367810 0.6662368 0.6550250), wk = 0.0025641 k( 121) = ( 0.2303815 0.6482304 0.6550250), wk = 0.0025641 k( 122) = ( 0.2239820 0.6302239 0.6550250), wk = 0.0025641 k( 123) = ( 0.2175826 0.6122176 0.6550250), wk = 0.0025641 k( 124) = ( 0.2111831 0.5942112 0.6550250), wk = 0.0025641 k( 125) = ( 0.2047836 0.5762048 0.6550250), wk = 0.0025641 k( 126) = ( 0.1983841 0.5581984 0.6550250), wk = 0.0025641 k( 127) = ( 0.1919846 0.5401920 0.6550250), wk = 0.0025641 k( 128) = ( 0.1855851 0.5221856 0.6550250), wk = 0.0025641 k( 129) = ( 0.1791856 0.5041792 0.6550250), wk = 0.0025641 k( 130) = ( 0.1727861 0.4861728 0.6550250), wk = 0.0025641 k( 131) = ( 0.1663866 0.4681664 0.6550250), wk = 0.0025641 k( 132) = ( 0.1599872 0.4501600 0.6550250), wk = 0.0025641 k( 133) = ( 0.1535877 0.4321536 0.6550250), wk = 0.0025641 k( 134) = ( 0.1471882 0.4141472 0.6550250), wk = 0.0025641 k( 135) = ( 0.1407887 0.3961408 0.6550250), wk = 0.0025641 k( 136) = ( 0.1343892 0.3781344 0.6550250), wk = 0.0025641 k( 137) = ( 0.1279897 0.3601280 0.6550250), wk = 0.0025641 k( 138) = ( 0.1215902 0.3421216 0.6550250), wk = 0.0025641 k( 139) = ( 0.1151908 0.3241152 0.6550250), wk = 0.0025641 k( 140) = ( 0.1087913 0.3061088 0.6550250), wk = 0.0025641 k( 141) = ( 0.1023918 0.2881024 0.6550250), wk = 0.0025641 k( 142) = ( 0.0959923 0.2700960 0.6550250), wk = 0.0025641 k( 143) = ( 0.0895928 0.2520896 0.6550250), wk = 0.0025641 k( 144) = ( 0.0831933 0.2340832 0.6550250), wk = 0.0025641 k( 145) = ( 0.0767938 0.2160768 0.6550250), wk = 0.0025641 k( 146) = ( 0.0703943 0.1980704 0.6550250), wk = 0.0025641 k( 147) = ( 0.0639949 0.1800640 0.6550250), wk = 0.0025641 k( 148) = ( 0.0575954 0.1620576 0.6550250), wk = 0.0025641 k( 149) = ( 0.0511959 0.1440512 0.6550250), wk = 0.0025641 k( 150) = ( 0.0447964 0.1260448 0.6550250), wk = 0.0025641 k( 151) = ( 0.0383969 0.1080384 0.6550250), wk = 0.0025641 k( 152) = ( 0.0319974 0.0900320 0.6550250), wk = 0.0025641 k( 153) = ( 0.0255980 0.0720256 0.6550250), wk = 0.0025641 k( 154) = ( 0.0191985 0.0540192 0.6550250), wk = 0.0025641 k( 155) = ( 0.0127990 0.0360128 0.6550250), wk = 0.0025641 k( 156) = ( 0.0063995 0.0180064 0.6550250), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.6550250), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.6550250), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.6357595), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.6164941), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.5972286), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.5779632), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.5586978), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.5394323), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.5201669), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.5009014), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.4816360), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.4623706), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.4431051), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.4238397), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.4045742), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.3853088), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.3660434), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.3467779), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.3275125), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.3082470), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2889816), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2697162), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.2504507), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.2311853), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.2119198), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.1926544), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.1733890), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.1541235), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.1348581), wk = 0.0025641 k( 186) = ( 0.0000000 0.0000000 0.1155926), wk = 0.0025641 k( 187) = ( 0.0000000 0.0000000 0.0963272), wk = 0.0025641 k( 188) = ( 0.0000000 0.0000000 0.0770618), wk = 0.0025641 k( 189) = ( 0.0000000 0.0000000 0.0577963), wk = 0.0025641 k( 190) = ( 0.0000000 0.0000000 0.0385309), wk = 0.0025641 k( 191) = ( 0.0000000 0.0000000 0.0192654), wk = 0.0025641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 194) = ( -0.0178571 0.0063464 0.0000000), wk = 0.0025641 k( 195) = ( -0.0357143 0.0126929 0.0000000), wk = 0.0025641 k( 196) = ( -0.0535714 0.0190393 0.0000000), wk = 0.0025641 k( 197) = ( -0.0714286 0.0253858 0.0000000), wk = 0.0025641 k( 198) = ( -0.0892857 0.0317322 0.0000000), wk = 0.0025641 k( 199) = ( -0.1071429 0.0380786 0.0000000), wk = 0.0025641 k( 200) = ( -0.1250000 0.0444251 0.0000000), wk = 0.0025641 k( 201) = ( -0.1428571 0.0507715 0.0000000), wk = 0.0025641 k( 202) = ( -0.1607143 0.0571180 0.0000000), wk = 0.0025641 k( 203) = ( -0.1785714 0.0634644 0.0000000), wk = 0.0025641 k( 204) = ( -0.1964286 0.0698109 0.0000000), wk = 0.0025641 k( 205) = ( -0.2142857 0.0761573 0.0000000), wk = 0.0025641 k( 206) = ( -0.2321429 0.0825037 0.0000000), wk = 0.0025641 k( 207) = ( -0.2500000 0.0888502 0.0000000), wk = 0.0025641 k( 208) = ( -0.2678571 0.0951966 0.0000000), wk = 0.0025641 k( 209) = ( -0.2857143 0.1015431 0.0000000), wk = 0.0025641 k( 210) = ( -0.3035714 0.1078895 0.0000000), wk = 0.0025641 k( 211) = ( -0.3214286 0.1142359 0.0000000), wk = 0.0025641 k( 212) = ( -0.3392857 0.1205824 0.0000000), wk = 0.0025641 k( 213) = ( -0.3571429 0.1269288 0.0000000), wk = 0.0025641 k( 214) = ( -0.3750000 0.1332753 0.0000000), wk = 0.0025641 k( 215) = ( -0.3928571 0.1396217 0.0000000), wk = 0.0025641 k( 216) = ( -0.4107143 0.1459681 0.0000000), wk = 0.0025641 k( 217) = ( -0.4285714 0.1523146 0.0000000), wk = 0.0025641 k( 218) = ( -0.4464286 0.1586610 0.0000000), wk = 0.0025641 k( 219) = ( -0.4642857 0.1650075 0.0000000), wk = 0.0025641 k( 220) = ( -0.4821429 0.1713539 0.0000000), wk = 0.0025641 k( 221) = ( -0.5000000 0.1777003 0.0000000), wk = 0.0025641 k( 222) = ( -0.5000000 0.1777003 0.0000000), wk = 0.0025641 k( 223) = ( -0.4935758 0.1957763 -0.0000000), wk = 0.0025641 k( 224) = ( -0.4871516 0.2138522 -0.0000000), wk = 0.0025641 k( 225) = ( -0.4807274 0.2319281 -0.0000000), wk = 0.0025641 k( 226) = ( -0.4743032 0.2500040 -0.0000000), wk = 0.0025641 k( 227) = ( -0.4678790 0.2680799 -0.0000000), wk = 0.0025641 k( 228) = ( -0.4614548 0.2861558 -0.0000000), wk = 0.0025641 k( 229) = ( -0.4550306 0.3042318 -0.0000000), wk = 0.0025641 k( 230) = ( -0.4486064 0.3223077 -0.0000000), wk = 0.0025641 k( 231) = ( -0.4421823 0.3403836 -0.0000000), wk = 0.0025641 k( 232) = ( -0.4357581 0.3584595 -0.0000000), wk = 0.0025641 k( 233) = ( -0.4293339 0.3765354 -0.0000000), wk = 0.0025641 k( 234) = ( -0.4229097 0.3946113 -0.0000000), wk = 0.0025641 k( 235) = ( -0.4164855 0.4126873 -0.0000000), wk = 0.0025641 k( 236) = ( -0.4100613 0.4307632 -0.0000000), wk = 0.0025641 k( 237) = ( -0.4036371 0.4488391 -0.0000000), wk = 0.0025641 k( 238) = ( -0.3972129 0.4669150 -0.0000000), wk = 0.0025641 k( 239) = ( -0.3907887 0.4849909 -0.0000000), wk = 0.0025641 k( 240) = ( -0.3843645 0.5030669 -0.0000000), wk = 0.0025641 k( 241) = ( -0.3779403 0.5211428 -0.0000000), wk = 0.0025641 k( 242) = ( -0.3715161 0.5392187 -0.0000000), wk = 0.0025641 k( 243) = ( -0.3650919 0.5572946 -0.0000000), wk = 0.0025641 k( 244) = ( -0.3586677 0.5753705 -0.0000000), wk = 0.0025641 k( 245) = ( -0.3522435 0.5934465 -0.0000000), wk = 0.0025641 k( 246) = ( -0.3458194 0.6115224 -0.0000000), wk = 0.0025641 k( 247) = ( -0.3393952 0.6295983 -0.0000000), wk = 0.0025641 k( 248) = ( -0.3329710 0.6476742 -0.0000000), wk = 0.0025641 k( 249) = ( -0.3265468 0.6657501 -0.0000000), wk = 0.0025641 k( 250) = ( -0.3201226 0.6838260 -0.0000000), wk = 0.0025641 k( 251) = ( -0.3136984 0.7019020 -0.0000000), wk = 0.0025641 k( 252) = ( -0.3072742 0.7199779 -0.0000000), wk = 0.0025641 k( 253) = ( -0.3008500 0.7380538 -0.0000000), wk = 0.0025641 k( 254) = ( -0.2944258 0.7561297 -0.0000000), wk = 0.0025641 k( 255) = ( -0.2880016 0.7742056 -0.0000000), wk = 0.0025641 k( 256) = ( -0.2815774 0.7922816 -0.0000000), wk = 0.0025641 k( 257) = ( -0.2815774 0.7922816 -0.0000000), wk = 0.0025641 k( 258) = ( -0.2815774 0.7922816 0.0192654), wk = 0.0025641 k( 259) = ( -0.2815774 0.7922816 0.0385309), wk = 0.0025641 k( 260) = ( -0.2815774 0.7922816 0.0577963), wk = 0.0025641 k( 261) = ( -0.2815774 0.7922816 0.0770618), wk = 0.0025641 k( 262) = ( -0.2815774 0.7922816 0.0963272), wk = 0.0025641 k( 263) = ( -0.2815774 0.7922816 0.1155926), wk = 0.0025641 k( 264) = ( -0.2815774 0.7922816 0.1348581), wk = 0.0025641 k( 265) = ( -0.2815774 0.7922816 0.1541235), wk = 0.0025641 k( 266) = ( -0.2815774 0.7922816 0.1733890), wk = 0.0025641 k( 267) = ( -0.2815774 0.7922816 0.1926544), wk = 0.0025641 k( 268) = ( -0.2815774 0.7922816 0.2119198), wk = 0.0025641 k( 269) = ( -0.2815774 0.7922816 0.2311853), wk = 0.0025641 k( 270) = ( -0.2815774 0.7922816 0.2504507), wk = 0.0025641 k( 271) = ( -0.2815774 0.7922816 0.2697162), wk = 0.0025641 k( 272) = ( -0.2815774 0.7922816 0.2889816), wk = 0.0025641 k( 273) = ( -0.2815774 0.7922816 0.3082470), wk = 0.0025641 k( 274) = ( -0.2815774 0.7922816 0.3275125), wk = 0.0025641 k( 275) = ( -0.2815774 0.7922816 0.3467779), wk = 0.0025641 k( 276) = ( -0.2815774 0.7922816 0.3660434), wk = 0.0025641 k( 277) = ( -0.2815774 0.7922816 0.3853088), wk = 0.0025641 k( 278) = ( -0.2815774 0.7922816 0.4045742), wk = 0.0025641 k( 279) = ( -0.2815774 0.7922816 0.4238397), wk = 0.0025641 k( 280) = ( -0.2815774 0.7922816 0.4431051), wk = 0.0025641 k( 281) = ( -0.2815774 0.7922816 0.4623706), wk = 0.0025641 k( 282) = ( -0.2815774 0.7922816 0.4816360), wk = 0.0025641 k( 283) = ( -0.2815774 0.7922816 0.5009014), wk = 0.0025641 k( 284) = ( -0.2815774 0.7922816 0.5201669), wk = 0.0025641 k( 285) = ( -0.2815774 0.7922816 0.5394323), wk = 0.0025641 k( 286) = ( -0.2815774 0.7922816 0.5586978), wk = 0.0025641 k( 287) = ( -0.2815774 0.7922816 0.5779632), wk = 0.0025641 k( 288) = ( -0.2815774 0.7922816 0.5972286), wk = 0.0025641 k( 289) = ( -0.2815774 0.7922816 0.6164941), wk = 0.0025641 k( 290) = ( -0.2815774 0.7922816 0.6357595), wk = 0.0025641 k( 291) = ( -0.2815774 0.7922816 0.6550250), wk = 0.0025641 k( 292) = ( -0.2815774 0.7922816 0.6550250), wk = 0.0025641 k( 293) = ( -0.2880016 0.7742056 0.6550250), wk = 0.0025641 k( 294) = ( -0.2944258 0.7561297 0.6550250), wk = 0.0025641 k( 295) = ( -0.3008500 0.7380538 0.6550250), wk = 0.0025641 k( 296) = ( -0.3072742 0.7199779 0.6550250), wk = 0.0025641 k( 297) = ( -0.3136984 0.7019020 0.6550250), wk = 0.0025641 k( 298) = ( -0.3201226 0.6838260 0.6550250), wk = 0.0025641 k( 299) = ( -0.3265468 0.6657501 0.6550250), wk = 0.0025641 k( 300) = ( -0.3329710 0.6476742 0.6550250), wk = 0.0025641 k( 301) = ( -0.3393952 0.6295983 0.6550250), wk = 0.0025641 k( 302) = ( -0.3458194 0.6115224 0.6550250), wk = 0.0025641 k( 303) = ( -0.3522435 0.5934465 0.6550250), wk = 0.0025641 k( 304) = ( -0.3586677 0.5753705 0.6550250), wk = 0.0025641 k( 305) = ( -0.3650919 0.5572946 0.6550250), wk = 0.0025641 k( 306) = ( -0.3715161 0.5392187 0.6550250), wk = 0.0025641 k( 307) = ( -0.3779403 0.5211428 0.6550250), wk = 0.0025641 k( 308) = ( -0.3843645 0.5030669 0.6550250), wk = 0.0025641 k( 309) = ( -0.3907887 0.4849909 0.6550250), wk = 0.0025641 k( 310) = ( -0.3972129 0.4669150 0.6550250), wk = 0.0025641 k( 311) = ( -0.4036371 0.4488391 0.6550250), wk = 0.0025641 k( 312) = ( -0.4100613 0.4307632 0.6550250), wk = 0.0025641 k( 313) = ( -0.4164855 0.4126873 0.6550250), wk = 0.0025641 k( 314) = ( -0.4229097 0.3946113 0.6550250), wk = 0.0025641 k( 315) = ( -0.4293339 0.3765354 0.6550250), wk = 0.0025641 k( 316) = ( -0.4357581 0.3584595 0.6550250), wk = 0.0025641 k( 317) = ( -0.4421823 0.3403836 0.6550250), wk = 0.0025641 k( 318) = ( -0.4486064 0.3223077 0.6550250), wk = 0.0025641 k( 319) = ( -0.4550306 0.3042318 0.6550250), wk = 0.0025641 k( 320) = ( -0.4614548 0.2861558 0.6550250), wk = 0.0025641 k( 321) = ( -0.4678790 0.2680799 0.6550250), wk = 0.0025641 k( 322) = ( -0.4743032 0.2500040 0.6550250), wk = 0.0025641 k( 323) = ( -0.4807274 0.2319281 0.6550250), wk = 0.0025641 k( 324) = ( -0.4871516 0.2138522 0.6550250), wk = 0.0025641 k( 325) = ( -0.4935758 0.1957763 0.6550250), wk = 0.0025641 k( 326) = ( -0.5000000 0.1777003 0.6550250), wk = 0.0025641 k( 327) = ( -0.5000000 0.1777003 0.6550250), wk = 0.0025641 k( 328) = ( -0.5000000 0.1777003 0.6357595), wk = 0.0025641 k( 329) = ( -0.5000000 0.1777003 0.6164941), wk = 0.0025641 k( 330) = ( -0.5000000 0.1777003 0.5972286), wk = 0.0025641 k( 331) = ( -0.5000000 0.1777003 0.5779632), wk = 0.0025641 k( 332) = ( -0.5000000 0.1777003 0.5586978), wk = 0.0025641 k( 333) = ( -0.5000000 0.1777003 0.5394323), wk = 0.0025641 k( 334) = ( -0.5000000 0.1777003 0.5201669), wk = 0.0025641 k( 335) = ( -0.5000000 0.1777003 0.5009014), wk = 0.0025641 k( 336) = ( -0.5000000 0.1777003 0.4816360), wk = 0.0025641 k( 337) = ( -0.5000000 0.1777003 0.4623706), wk = 0.0025641 k( 338) = ( -0.5000000 0.1777003 0.4431051), wk = 0.0025641 k( 339) = ( -0.5000000 0.1777003 0.4238397), wk = 0.0025641 k( 340) = ( -0.5000000 0.1777003 0.4045742), wk = 0.0025641 k( 341) = ( -0.5000000 0.1777003 0.3853088), wk = 0.0025641 k( 342) = ( -0.5000000 0.1777003 0.3660434), wk = 0.0025641 k( 343) = ( -0.5000000 0.1777003 0.3467779), wk = 0.0025641 k( 344) = ( -0.5000000 0.1777003 0.3275125), wk = 0.0025641 k( 345) = ( -0.5000000 0.1777003 0.3082470), wk = 0.0025641 k( 346) = ( -0.5000000 0.1777003 0.2889816), wk = 0.0025641 k( 347) = ( -0.5000000 0.1777003 0.2697162), wk = 0.0025641 k( 348) = ( -0.5000000 0.1777003 0.2504507), wk = 0.0025641 k( 349) = ( -0.5000000 0.1777003 0.2311853), wk = 0.0025641 k( 350) = ( -0.5000000 0.1777003 0.2119198), wk = 0.0025641 k( 351) = ( -0.5000000 0.1777003 0.1926544), wk = 0.0025641 k( 352) = ( -0.5000000 0.1777003 0.1733890), wk = 0.0025641 k( 353) = ( -0.5000000 0.1777003 0.1541235), wk = 0.0025641 k( 354) = ( -0.5000000 0.1777003 0.1348581), wk = 0.0025641 k( 355) = ( -0.5000000 0.1777003 0.1155926), wk = 0.0025641 k( 356) = ( -0.5000000 0.1777003 0.0963272), wk = 0.0025641 k( 357) = ( -0.5000000 0.1777003 0.0770618), wk = 0.0025641 k( 358) = ( -0.5000000 0.1777003 0.0577963), wk = 0.0025641 k( 359) = ( -0.5000000 0.1777003 0.0385309), wk = 0.0025641 k( 360) = ( -0.5000000 0.1777003 0.0192654), wk = 0.0025641 k( 361) = ( -0.5000000 0.1777003 0.0000000), wk = 0.0025641 k( 362) = ( 0.0000000 0.0000000 0.6550250), wk = 0.0025641 k( 363) = ( -0.0178571 0.0063464 0.6550250), wk = 0.0025641 k( 364) = ( -0.0357143 0.0126929 0.6550250), wk = 0.0025641 k( 365) = ( -0.0535714 0.0190393 0.6550250), wk = 0.0025641 k( 366) = ( -0.0714286 0.0253858 0.6550250), wk = 0.0025641 k( 367) = ( -0.0892857 0.0317322 0.6550250), wk = 0.0025641 k( 368) = ( -0.1071429 0.0380786 0.6550250), wk = 0.0025641 k( 369) = ( -0.1250000 0.0444251 0.6550250), wk = 0.0025641 k( 370) = ( -0.1428571 0.0507715 0.6550250), wk = 0.0025641 k( 371) = ( -0.1607143 0.0571180 0.6550250), wk = 0.0025641 k( 372) = ( -0.1785714 0.0634644 0.6550250), wk = 0.0025641 k( 373) = ( -0.1964286 0.0698109 0.6550250), wk = 0.0025641 k( 374) = ( -0.2142857 0.0761573 0.6550250), wk = 0.0025641 k( 375) = ( -0.2321429 0.0825037 0.6550250), wk = 0.0025641 k( 376) = ( -0.2500000 0.0888502 0.6550250), wk = 0.0025641 k( 377) = ( -0.2678571 0.0951966 0.6550250), wk = 0.0025641 k( 378) = ( -0.2857143 0.1015431 0.6550250), wk = 0.0025641 k( 379) = ( -0.3035714 0.1078895 0.6550250), wk = 0.0025641 k( 380) = ( -0.3214286 0.1142359 0.6550250), wk = 0.0025641 k( 381) = ( -0.3392857 0.1205824 0.6550250), wk = 0.0025641 k( 382) = ( -0.3571429 0.1269288 0.6550250), wk = 0.0025641 k( 383) = ( -0.3750000 0.1332753 0.6550250), wk = 0.0025641 k( 384) = ( -0.3928571 0.1396217 0.6550250), wk = 0.0025641 k( 385) = ( -0.4107143 0.1459681 0.6550250), wk = 0.0025641 k( 386) = ( -0.4285714 0.1523146 0.6550250), wk = 0.0025641 k( 387) = ( -0.4464286 0.1586610 0.6550250), wk = 0.0025641 k( 388) = ( -0.4642857 0.1650075 0.6550250), wk = 0.0025641 k( 389) = ( -0.4821429 0.1713539 0.6550250), wk = 0.0025641 k( 390) = ( -0.5000000 0.1777003 0.6550250), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0063995 0.0063995 0.0000000), wk = 0.0025641 k( 3) = ( 0.0127990 0.0127990 0.0000000), wk = 0.0025641 k( 4) = ( 0.0191985 0.0191985 0.0000000), wk = 0.0025641 k( 5) = ( 0.0255980 0.0255979 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0319974 0.0319974 0.0000000), wk = 0.0025641 k( 7) = ( 0.0383969 0.0383969 0.0000000), wk = 0.0025641 k( 8) = ( 0.0447964 0.0447964 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0511959 0.0511959 0.0000000), wk = 0.0025641 k( 10) = ( 0.0575954 0.0575954 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0639949 0.0639949 0.0000000), wk = 0.0025641 k( 12) = ( 0.0703943 0.0703943 0.0000000), wk = 0.0025641 k( 13) = ( 0.0767938 0.0767938 0.0000000), wk = 0.0025641 k( 14) = ( 0.0831933 0.0831933 -0.0000000), wk = 0.0025641 k( 15) = ( 0.0895928 0.0895928 0.0000000), wk = 0.0025641 k( 16) = ( 0.0959923 0.0959923 0.0000000), wk = 0.0025641 k( 17) = ( 0.1023918 0.1023918 0.0000000), wk = 0.0025641 k( 18) = ( 0.1087913 0.1087913 0.0000000), wk = 0.0025641 k( 19) = ( 0.1151908 0.1151908 -0.0000000), wk = 0.0025641 k( 20) = ( 0.1215902 0.1215902 0.0000000), wk = 0.0025641 k( 21) = ( 0.1279897 0.1279897 -0.0000000), wk = 0.0025641 k( 22) = ( 0.1343892 0.1343892 0.0000000), wk = 0.0025641 k( 23) = ( 0.1407887 0.1407887 0.0000000), wk = 0.0025641 k( 24) = ( 0.1471882 0.1471882 0.0000000), wk = 0.0025641 k( 25) = ( 0.1535877 0.1535877 0.0000000), wk = 0.0025641 k( 26) = ( 0.1599872 0.1599872 0.0000000), wk = 0.0025641 k( 27) = ( 0.1663866 0.1663866 0.0000000), wk = 0.0025641 k( 28) = ( 0.1727861 0.1727861 0.0000000), wk = 0.0025641 k( 29) = ( 0.1791856 0.1791856 0.0000000), wk = 0.0025641 k( 30) = ( 0.1855851 0.1855851 0.0000000), wk = 0.0025641 k( 31) = ( 0.1919846 0.1919846 0.0000000), wk = 0.0025641 k( 32) = ( 0.1983841 0.1983841 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2047836 0.2047836 -0.0000000), wk = 0.0025641 k( 34) = ( 0.2111831 0.2111831 0.0000000), wk = 0.0025641 k( 35) = ( 0.2175826 0.2175826 0.0000000), wk = 0.0025641 k( 36) = ( 0.2239820 0.2239820 0.0000000), wk = 0.0025641 k( 37) = ( 0.2303815 0.2303815 -0.0000000), wk = 0.0025641 k( 38) = ( 0.2367810 0.2367810 0.0000000), wk = 0.0025641 k( 39) = ( 0.2431805 0.2431805 0.0000000), wk = 0.0025641 k( 40) = ( 0.2495800 0.2495800 0.0000000), wk = 0.0025641 k( 41) = ( 0.2559795 0.2559795 0.0000000), wk = 0.0025641 k( 42) = ( 0.2623789 0.2623789 0.0000000), wk = 0.0025641 k( 43) = ( 0.2687784 0.2687784 0.0000000), wk = 0.0025641 k( 44) = ( 0.2751779 0.2751779 0.0000000), wk = 0.0025641 k( 45) = ( 0.2815774 0.2815774 -0.0000000), wk = 0.0025641 k( 46) = ( 0.2815774 0.2815774 -0.0000000), wk = 0.0025641 k( 47) = ( 0.2628056 0.2961389 0.0000000), wk = 0.0025641 k( 48) = ( 0.2440338 0.3107004 -0.0000000), wk = 0.0025641 k( 49) = ( 0.2252619 0.3252619 -0.0000000), wk = 0.0025641 k( 50) = ( 0.2064901 0.3398234 -0.0000000), wk = 0.0025641 k( 51) = ( 0.1877183 0.3543849 0.0000000), wk = 0.0025641 k( 52) = ( 0.1689464 0.3689464 -0.0000000), wk = 0.0025641 k( 53) = ( 0.1501746 0.3835079 0.0000000), wk = 0.0025641 k( 54) = ( 0.1314028 0.3980695 0.0000000), wk = 0.0025641 k( 55) = ( 0.1126310 0.4126310 0.0000000), wk = 0.0025641 k( 56) = ( 0.0938591 0.4271925 0.0000000), wk = 0.0025641 k( 57) = ( 0.0750873 0.4417540 0.0000000), wk = 0.0025641 k( 58) = ( 0.0563155 0.4563155 0.0000000), wk = 0.0025641 k( 59) = ( 0.0375437 0.4708770 0.0000000), wk = 0.0025641 k( 60) = ( 0.0187718 0.4854385 0.0000000), wk = 0.0025641 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 63) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0025641 k( 64) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0025641 k( 65) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0025641 k( 66) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0025641 k( 67) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0025641 k( 68) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0025641 k( 69) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0025641 k( 70) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0025641 k( 71) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0025641 k( 72) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0025641 k( 73) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0025641 k( 74) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0025641 k( 75) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0025641 k( 76) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0025641 k( 77) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0025641 k( 78) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0025641 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025641 k( 80) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0025641 k( 81) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0025641 k( 82) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0025641 k( 83) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0025641 k( 84) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0025641 k( 85) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0025641 k( 86) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0025641 k( 87) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0025641 k( 88) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0025641 k( 89) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0025641 k( 90) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0025641 k( 91) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0025641 k( 92) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0025641 k( 93) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0025641 k( 94) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0025641 k( 95) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0025641 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 98) = ( 0.0187718 0.4854385 0.5000000), wk = 0.0025641 k( 99) = ( 0.0375437 0.4708770 0.5000000), wk = 0.0025641 k( 100) = ( 0.0563155 0.4563155 0.5000000), wk = 0.0025641 k( 101) = ( 0.0750873 0.4417540 0.5000000), wk = 0.0025641 k( 102) = ( 0.0938591 0.4271925 0.5000000), wk = 0.0025641 k( 103) = ( 0.1126310 0.4126310 0.5000000), wk = 0.0025641 k( 104) = ( 0.1314028 0.3980695 0.5000000), wk = 0.0025641 k( 105) = ( 0.1501746 0.3835079 0.5000000), wk = 0.0025641 k( 106) = ( 0.1689464 0.3689464 0.5000000), wk = 0.0025641 k( 107) = ( 0.1877183 0.3543849 0.5000000), wk = 0.0025641 k( 108) = ( 0.2064901 0.3398234 0.5000000), wk = 0.0025641 k( 109) = ( 0.2252619 0.3252619 0.5000000), wk = 0.0025641 k( 110) = ( 0.2440338 0.3107004 0.5000000), wk = 0.0025641 k( 111) = ( 0.2628056 0.2961389 0.5000000), wk = 0.0025641 k( 112) = ( 0.2815774 0.2815774 0.5000000), wk = 0.0025641 k( 113) = ( 0.2815774 0.2815774 0.5000000), wk = 0.0025641 k( 114) = ( 0.2751779 0.2751779 0.5000000), wk = 0.0025641 k( 115) = ( 0.2687784 0.2687784 0.5000000), wk = 0.0025641 k( 116) = ( 0.2623789 0.2623789 0.5000000), wk = 0.0025641 k( 117) = ( 0.2559795 0.2559795 0.5000000), wk = 0.0025641 k( 118) = ( 0.2495800 0.2495800 0.5000000), wk = 0.0025641 k( 119) = ( 0.2431805 0.2431805 0.5000000), wk = 0.0025641 k( 120) = ( 0.2367810 0.2367810 0.5000000), wk = 0.0025641 k( 121) = ( 0.2303815 0.2303815 0.5000000), wk = 0.0025641 k( 122) = ( 0.2239820 0.2239820 0.5000000), wk = 0.0025641 k( 123) = ( 0.2175826 0.2175826 0.5000000), wk = 0.0025641 k( 124) = ( 0.2111831 0.2111831 0.5000000), wk = 0.0025641 k( 125) = ( 0.2047836 0.2047836 0.5000000), wk = 0.0025641 k( 126) = ( 0.1983841 0.1983841 0.5000000), wk = 0.0025641 k( 127) = ( 0.1919846 0.1919846 0.5000000), wk = 0.0025641 k( 128) = ( 0.1855851 0.1855851 0.5000000), wk = 0.0025641 k( 129) = ( 0.1791856 0.1791856 0.5000000), wk = 0.0025641 k( 130) = ( 0.1727861 0.1727861 0.5000000), wk = 0.0025641 k( 131) = ( 0.1663866 0.1663866 0.5000000), wk = 0.0025641 k( 132) = ( 0.1599872 0.1599872 0.5000000), wk = 0.0025641 k( 133) = ( 0.1535877 0.1535877 0.5000000), wk = 0.0025641 k( 134) = ( 0.1471882 0.1471882 0.5000000), wk = 0.0025641 k( 135) = ( 0.1407887 0.1407887 0.5000000), wk = 0.0025641 k( 136) = ( 0.1343892 0.1343892 0.5000000), wk = 0.0025641 k( 137) = ( 0.1279897 0.1279897 0.5000000), wk = 0.0025641 k( 138) = ( 0.1215902 0.1215902 0.5000000), wk = 0.0025641 k( 139) = ( 0.1151908 0.1151908 0.5000000), wk = 0.0025641 k( 140) = ( 0.1087913 0.1087913 0.5000000), wk = 0.0025641 k( 141) = ( 0.1023918 0.1023918 0.5000000), wk = 0.0025641 k( 142) = ( 0.0959923 0.0959923 0.5000000), wk = 0.0025641 k( 143) = ( 0.0895928 0.0895928 0.5000000), wk = 0.0025641 k( 144) = ( 0.0831933 0.0831933 0.5000000), wk = 0.0025641 k( 145) = ( 0.0767938 0.0767938 0.5000000), wk = 0.0025641 k( 146) = ( 0.0703943 0.0703943 0.5000000), wk = 0.0025641 k( 147) = ( 0.0639949 0.0639949 0.5000000), wk = 0.0025641 k( 148) = ( 0.0575954 0.0575954 0.5000000), wk = 0.0025641 k( 149) = ( 0.0511959 0.0511959 0.5000000), wk = 0.0025641 k( 150) = ( 0.0447964 0.0447964 0.5000000), wk = 0.0025641 k( 151) = ( 0.0383969 0.0383969 0.5000000), wk = 0.0025641 k( 152) = ( 0.0319974 0.0319974 0.5000000), wk = 0.0025641 k( 153) = ( 0.0255980 0.0255979 0.5000000), wk = 0.0025641 k( 154) = ( 0.0191985 0.0191985 0.5000000), wk = 0.0025641 k( 155) = ( 0.0127990 0.0127990 0.5000000), wk = 0.0025641 k( 156) = ( 0.0063995 0.0063995 0.5000000), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0025641 k( 186) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025641 k( 187) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0025641 k( 188) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025641 k( 189) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0025641 k( 190) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025641 k( 191) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0025641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 194) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0025641 k( 195) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0025641 k( 196) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0025641 k( 197) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0025641 k( 198) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0025641 k( 199) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0025641 k( 200) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025641 k( 201) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0025641 k( 202) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0025641 k( 203) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0025641 k( 204) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0025641 k( 205) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0025641 k( 206) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0025641 k( 207) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025641 k( 208) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0025641 k( 209) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0025641 k( 210) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0025641 k( 211) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0025641 k( 212) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0025641 k( 213) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0025641 k( 214) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0025641 k( 215) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0025641 k( 216) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0025641 k( 217) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0025641 k( 218) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0025641 k( 219) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0025641 k( 220) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025641 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 222) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 223) = ( -0.4935758 0.5064242 0.0000000), wk = 0.0025641 k( 224) = ( -0.4871516 0.5128484 0.0000000), wk = 0.0025641 k( 225) = ( -0.4807274 0.5192726 0.0000000), wk = 0.0025641 k( 226) = ( -0.4743032 0.5256968 0.0000000), wk = 0.0025641 k( 227) = ( -0.4678790 0.5321210 0.0000000), wk = 0.0025641 k( 228) = ( -0.4614548 0.5385452 0.0000000), wk = 0.0025641 k( 229) = ( -0.4550306 0.5449694 0.0000000), wk = 0.0025641 k( 230) = ( -0.4486064 0.5513936 0.0000000), wk = 0.0025641 k( 231) = ( -0.4421823 0.5578177 0.0000000), wk = 0.0025641 k( 232) = ( -0.4357581 0.5642419 0.0000000), wk = 0.0025641 k( 233) = ( -0.4293339 0.5706661 0.0000000), wk = 0.0025641 k( 234) = ( -0.4229097 0.5770903 0.0000000), wk = 0.0025641 k( 235) = ( -0.4164855 0.5835145 0.0000000), wk = 0.0025641 k( 236) = ( -0.4100613 0.5899387 -0.0000000), wk = 0.0025641 k( 237) = ( -0.4036371 0.5963629 0.0000000), wk = 0.0025641 k( 238) = ( -0.3972129 0.6027871 0.0000000), wk = 0.0025641 k( 239) = ( -0.3907887 0.6092113 0.0000000), wk = 0.0025641 k( 240) = ( -0.3843645 0.6156355 0.0000000), wk = 0.0025641 k( 241) = ( -0.3779403 0.6220597 0.0000000), wk = 0.0025641 k( 242) = ( -0.3715161 0.6284839 -0.0000000), wk = 0.0025641 k( 243) = ( -0.3650919 0.6349081 0.0000000), wk = 0.0025641 k( 244) = ( -0.3586677 0.6413323 0.0000000), wk = 0.0025641 k( 245) = ( -0.3522435 0.6477565 0.0000000), wk = 0.0025641 k( 246) = ( -0.3458194 0.6541807 0.0000000), wk = 0.0025641 k( 247) = ( -0.3393952 0.6606048 0.0000000), wk = 0.0025641 k( 248) = ( -0.3329710 0.6670290 0.0000000), wk = 0.0025641 k( 249) = ( -0.3265468 0.6734532 0.0000000), wk = 0.0025641 k( 250) = ( -0.3201226 0.6798774 0.0000000), wk = 0.0025641 k( 251) = ( -0.3136984 0.6863016 0.0000000), wk = 0.0025641 k( 252) = ( -0.3072742 0.6927258 0.0000000), wk = 0.0025641 k( 253) = ( -0.3008500 0.6991500 0.0000000), wk = 0.0025641 k( 254) = ( -0.2944258 0.7055742 0.0000000), wk = 0.0025641 k( 255) = ( -0.2880016 0.7119984 0.0000000), wk = 0.0025641 k( 256) = ( -0.2815774 0.7184226 0.0000000), wk = 0.0025641 k( 257) = ( -0.2815774 0.7184226 0.0000000), wk = 0.0025641 k( 258) = ( -0.2815774 0.7184226 0.0147059), wk = 0.0025641 k( 259) = ( -0.2815774 0.7184226 0.0294118), wk = 0.0025641 k( 260) = ( -0.2815774 0.7184226 0.0441176), wk = 0.0025641 k( 261) = ( -0.2815774 0.7184226 0.0588235), wk = 0.0025641 k( 262) = ( -0.2815774 0.7184226 0.0735294), wk = 0.0025641 k( 263) = ( -0.2815774 0.7184226 0.0882353), wk = 0.0025641 k( 264) = ( -0.2815774 0.7184226 0.1029412), wk = 0.0025641 k( 265) = ( -0.2815774 0.7184226 0.1176471), wk = 0.0025641 k( 266) = ( -0.2815774 0.7184226 0.1323529), wk = 0.0025641 k( 267) = ( -0.2815774 0.7184226 0.1470588), wk = 0.0025641 k( 268) = ( -0.2815774 0.7184226 0.1617647), wk = 0.0025641 k( 269) = ( -0.2815774 0.7184226 0.1764706), wk = 0.0025641 k( 270) = ( -0.2815774 0.7184226 0.1911765), wk = 0.0025641 k( 271) = ( -0.2815774 0.7184226 0.2058823), wk = 0.0025641 k( 272) = ( -0.2815774 0.7184226 0.2205882), wk = 0.0025641 k( 273) = ( -0.2815774 0.7184226 0.2352941), wk = 0.0025641 k( 274) = ( -0.2815774 0.7184226 0.2500000), wk = 0.0025641 k( 275) = ( -0.2815774 0.7184226 0.2647059), wk = 0.0025641 k( 276) = ( -0.2815774 0.7184226 0.2794118), wk = 0.0025641 k( 277) = ( -0.2815774 0.7184226 0.2941177), wk = 0.0025641 k( 278) = ( -0.2815774 0.7184226 0.3088235), wk = 0.0025641 k( 279) = ( -0.2815774 0.7184226 0.3235294), wk = 0.0025641 k( 280) = ( -0.2815774 0.7184226 0.3382353), wk = 0.0025641 k( 281) = ( -0.2815774 0.7184226 0.3529412), wk = 0.0025641 k( 282) = ( -0.2815774 0.7184226 0.3676471), wk = 0.0025641 k( 283) = ( -0.2815774 0.7184226 0.3823529), wk = 0.0025641 k( 284) = ( -0.2815774 0.7184226 0.3970588), wk = 0.0025641 k( 285) = ( -0.2815774 0.7184226 0.4117647), wk = 0.0025641 k( 286) = ( -0.2815774 0.7184226 0.4264706), wk = 0.0025641 k( 287) = ( -0.2815774 0.7184226 0.4411765), wk = 0.0025641 k( 288) = ( -0.2815774 0.7184226 0.4558823), wk = 0.0025641 k( 289) = ( -0.2815774 0.7184226 0.4705882), wk = 0.0025641 k( 290) = ( -0.2815774 0.7184226 0.4852941), wk = 0.0025641 k( 291) = ( -0.2815774 0.7184226 0.5000000), wk = 0.0025641 k( 292) = ( -0.2815774 0.7184226 0.5000000), wk = 0.0025641 k( 293) = ( -0.2880016 0.7119984 0.5000000), wk = 0.0025641 k( 294) = ( -0.2944258 0.7055742 0.5000000), wk = 0.0025641 k( 295) = ( -0.3008500 0.6991500 0.5000000), wk = 0.0025641 k( 296) = ( -0.3072742 0.6927258 0.5000000), wk = 0.0025641 k( 297) = ( -0.3136984 0.6863016 0.5000000), wk = 0.0025641 k( 298) = ( -0.3201226 0.6798774 0.5000000), wk = 0.0025641 k( 299) = ( -0.3265468 0.6734532 0.5000000), wk = 0.0025641 k( 300) = ( -0.3329710 0.6670290 0.5000000), wk = 0.0025641 k( 301) = ( -0.3393952 0.6606048 0.5000000), wk = 0.0025641 k( 302) = ( -0.3458194 0.6541807 0.5000000), wk = 0.0025641 k( 303) = ( -0.3522435 0.6477565 0.5000000), wk = 0.0025641 k( 304) = ( -0.3586677 0.6413323 0.5000000), wk = 0.0025641 k( 305) = ( -0.3650919 0.6349081 0.5000000), wk = 0.0025641 k( 306) = ( -0.3715161 0.6284839 0.5000000), wk = 0.0025641 k( 307) = ( -0.3779403 0.6220597 0.5000000), wk = 0.0025641 k( 308) = ( -0.3843645 0.6156355 0.5000000), wk = 0.0025641 k( 309) = ( -0.3907887 0.6092113 0.5000000), wk = 0.0025641 k( 310) = ( -0.3972129 0.6027871 0.5000000), wk = 0.0025641 k( 311) = ( -0.4036371 0.5963629 0.5000000), wk = 0.0025641 k( 312) = ( -0.4100613 0.5899387 0.5000000), wk = 0.0025641 k( 313) = ( -0.4164855 0.5835145 0.5000000), wk = 0.0025641 k( 314) = ( -0.4229097 0.5770903 0.5000000), wk = 0.0025641 k( 315) = ( -0.4293339 0.5706661 0.5000000), wk = 0.0025641 k( 316) = ( -0.4357581 0.5642419 0.5000000), wk = 0.0025641 k( 317) = ( -0.4421823 0.5578177 0.5000000), wk = 0.0025641 k( 318) = ( -0.4486064 0.5513936 0.5000000), wk = 0.0025641 k( 319) = ( -0.4550306 0.5449694 0.5000000), wk = 0.0025641 k( 320) = ( -0.4614548 0.5385452 0.5000000), wk = 0.0025641 k( 321) = ( -0.4678790 0.5321210 0.5000000), wk = 0.0025641 k( 322) = ( -0.4743032 0.5256968 0.5000000), wk = 0.0025641 k( 323) = ( -0.4807274 0.5192726 0.5000000), wk = 0.0025641 k( 324) = ( -0.4871516 0.5128484 0.5000000), wk = 0.0025641 k( 325) = ( -0.4935758 0.5064242 0.5000000), wk = 0.0025641 k( 326) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 327) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 328) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0025641 k( 329) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0025641 k( 330) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0025641 k( 331) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0025641 k( 332) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0025641 k( 333) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0025641 k( 334) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0025641 k( 335) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0025641 k( 336) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0025641 k( 337) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0025641 k( 338) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0025641 k( 339) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0025641 k( 340) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0025641 k( 341) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0025641 k( 342) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0025641 k( 343) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0025641 k( 344) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025641 k( 345) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0025641 k( 346) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0025641 k( 347) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0025641 k( 348) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0025641 k( 349) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0025641 k( 350) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0025641 k( 351) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0025641 k( 352) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0025641 k( 353) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0025641 k( 354) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0025641 k( 355) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0025641 k( 356) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0025641 k( 357) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0025641 k( 358) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0025641 k( 359) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0025641 k( 360) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0025641 k( 361) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 362) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 363) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025641 k( 364) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025641 k( 365) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025641 k( 366) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025641 k( 367) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025641 k( 368) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025641 k( 369) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025641 k( 370) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025641 k( 371) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025641 k( 372) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025641 k( 373) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025641 k( 374) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025641 k( 375) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025641 k( 376) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025641 k( 377) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025641 k( 378) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025641 k( 379) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025641 k( 380) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025641 k( 381) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025641 k( 382) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025641 k( 383) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025641 k( 384) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025641 k( 385) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025641 k( 386) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025641 k( 387) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025641 k( 388) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025641 k( 389) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025641 k( 390) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 Dense grid: 56335 G-vectors FFT dimensions: ( 64, 64, 48) Smooth grid: 30987 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 256, 50) NL pseudopotentials 0.27 Mb ( 128, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1761) G-vector shells 0.01 Mb ( 888) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 256, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.21 Mb ( 136, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaAg.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 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 6.7 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 10.3 secs Computing kpt #: 5 total cpu time spent up to now is 12.1 secs Computing kpt #: 6 total cpu time spent up to now is 13.8 secs Computing kpt #: 7 total cpu time spent up to now is 15.7 secs Computing kpt #: 8 total cpu time spent up to now is 17.6 secs Computing kpt #: 9 total cpu time spent up to now is 19.3 secs Computing kpt #: 10 total cpu time spent up to now is 21.1 secs Computing kpt #: 11 total cpu time spent up to now is 23.0 secs Computing kpt #: 12 total cpu time spent up to now is 24.9 secs Computing kpt #: 13 total cpu time spent up to now is 27.1 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.6 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.0 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.5 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.0 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.3 secs Computing kpt #: 19 total cpu time spent up to now is 41.0 secs Computing kpt #: 20 total cpu time spent up to now is 42.6 secs Computing kpt #: 21 total cpu time spent up to now is 44.1 secs Computing kpt #: 22 total cpu time spent up to now is 45.6 secs Computing kpt #: 23 total cpu time spent up to now is 47.1 secs Computing kpt #: 24 total cpu time spent up to now is 48.5 secs Computing kpt #: 25 total cpu time spent up to now is 50.0 secs Computing kpt #: 26 total cpu time spent up to now is 51.4 secs Computing kpt #: 27 total cpu time spent up to now is 52.9 secs Computing kpt #: 28 total cpu time spent up to now is 54.3 secs Computing kpt #: 29 total cpu time spent up to now is 55.8 secs Computing kpt #: 30 total cpu time spent up to now is 57.2 secs Computing kpt #: 31 total cpu time spent up to now is 58.6 secs Computing kpt #: 32 total cpu time spent up to now is 60.1 secs Computing kpt #: 33 total cpu time spent up to now is 61.5 secs Computing kpt #: 34 total cpu time spent up to now is 62.9 secs Computing kpt #: 35 total cpu time spent up to now is 64.4 secs Computing kpt #: 36 total cpu time spent up to now is 65.8 secs Computing kpt #: 37 total cpu time spent up to now is 67.2 secs Computing kpt #: 38 total cpu time spent up to now is 68.7 secs Computing kpt #: 39 total cpu time spent up to now is 70.1 secs Computing kpt #: 40 total cpu time spent up to now is 71.6 secs Computing kpt #: 41 total cpu time spent up to now is 73.0 secs Computing kpt #: 42 total cpu time spent up to now is 74.5 secs Computing kpt #: 43 total cpu time spent up to now is 75.9 secs Computing kpt #: 44 total cpu time spent up to now is 77.4 secs Computing kpt #: 45 total cpu time spent up to now is 78.9 secs Computing kpt #: 46 total cpu time spent up to now is 80.5 secs Computing kpt #: 47 total cpu time spent up to now is 82.0 secs Computing kpt #: 48 total cpu time spent up to now is 83.5 secs Computing kpt #: 49 total cpu time spent up to now is 85.0 secs Computing kpt #: 50 total cpu time spent up to now is 86.4 secs Computing kpt #: 51 total cpu time spent up to now is 87.9 secs Computing kpt #: 52 total cpu time spent up to now is 89.4 secs Computing kpt #: 53 total cpu time spent up to now is 90.8 secs Computing kpt #: 54 total cpu time spent up to now is 92.5 secs Computing kpt #: 55 total cpu time spent up to now is 93.9 secs Computing kpt #: 56 total cpu time spent up to now is 95.4 secs Computing kpt #: 57 total cpu time spent up to now is 97.0 secs Computing kpt #: 58 total cpu time spent up to now is 98.6 secs Computing kpt #: 59 total cpu time spent up to now is 100.2 secs Computing kpt #: 60 total cpu time spent up to now is 101.9 secs Computing kpt #: 61 total cpu time spent up to now is 103.6 secs Computing kpt #: 62 total cpu time spent up to now is 105.2 secs Computing kpt #: 63 total cpu time spent up to now is 107.0 secs Computing kpt #: 64 total cpu time spent up to now is 108.7 secs Computing kpt #: 65 total cpu time spent up to now is 110.5 secs Computing kpt #: 66 total cpu time spent up to now is 112.2 secs Computing kpt #: 67 total cpu time spent up to now is 114.1 secs Computing kpt #: 68 total cpu time spent up to now is 115.8 secs Computing kpt #: 69 total cpu time spent up to now is 118.1 secs Computing kpt #: 70 total cpu time spent up to now is 119.8 secs Computing kpt #: 71 total cpu time spent up to now is 121.4 secs Computing kpt #: 72 total cpu time spent up to now is 123.1 secs Computing kpt #: 73 total cpu time spent up to now is 124.8 secs Computing kpt #: 74 total cpu time spent up to now is 126.4 secs Computing kpt #: 75 total cpu time spent up to now is 128.0 secs Computing kpt #: 76 total cpu time spent up to now is 129.6 secs Computing kpt #: 77 total cpu time spent up to now is 131.2 secs Computing kpt #: 78 total cpu time spent up to now is 132.9 secs Computing kpt #: 79 total cpu time spent up to now is 134.5 secs Computing kpt #: 80 total cpu time spent up to now is 136.1 secs Computing kpt #: 81 total cpu time spent up to now is 137.8 secs Computing kpt #: 82 total cpu time spent up to now is 139.4 secs Computing kpt #: 83 total cpu time spent up to now is 141.0 secs Computing kpt #: 84 total cpu time spent up to now is 142.6 secs Computing kpt #: 85 total cpu time spent up to now is 144.2 secs Computing kpt #: 86 total cpu time spent up to now is 145.7 secs Computing kpt #: 87 total cpu time spent up to now is 147.2 secs Computing kpt #: 88 total cpu time spent up to now is 148.7 secs Computing kpt #: 89 total cpu time spent up to now is 150.3 secs Computing kpt #: 90 total cpu time spent up to now is 151.9 secs Computing kpt #: 91 total cpu time spent up to now is 153.5 secs Computing kpt #: 92 total cpu time spent up to now is 155.0 secs Computing kpt #: 93 total cpu time spent up to now is 156.6 secs Computing kpt #: 94 total cpu time spent up to now is 158.2 secs Computing kpt #: 95 total cpu time spent up to now is 159.8 secs Computing kpt #: 96 total cpu time spent up to now is 161.2 secs Computing kpt #: 97 total cpu time spent up to now is 162.6 secs Computing kpt #: 98 total cpu time spent up to now is 164.2 secs Computing kpt #: 99 total cpu time spent up to now is 165.8 secs Computing kpt #: 100 total cpu time spent up to now is 167.4 secs Computing kpt #: 101 total cpu time spent up to now is 169.0 secs Computing kpt #: 102 total cpu time spent up to now is 170.6 secs Computing kpt #: 103 total cpu time spent up to now is 172.2 secs Computing kpt #: 104 total cpu time spent up to now is 173.7 secs Computing kpt #: 105 total cpu time spent up to now is 175.3 secs Computing kpt #: 106 total cpu time spent up to now is 176.9 secs Computing kpt #: 107 total cpu time spent up to now is 178.5 secs Computing kpt #: 108 total cpu time spent up to now is 180.2 secs Computing kpt #: 109 total cpu time spent up to now is 181.8 secs Computing kpt #: 110 total cpu time spent up to now is 183.4 secs Computing kpt #: 111 total cpu time spent up to now is 185.1 secs Computing kpt #: 112 total cpu time spent up to now is 186.7 secs Computing kpt #: 113 total cpu time spent up to now is 188.3 secs Computing kpt #: 114 total cpu time spent up to now is 190.0 secs Computing kpt #: 115 total cpu time spent up to now is 191.7 secs Computing kpt #: 116 total cpu time spent up to now is 193.3 secs Computing kpt #: 117 total cpu time spent up to now is 194.9 secs Computing kpt #: 118 total cpu time spent up to now is 196.6 secs Computing kpt #: 119 total cpu time spent up to now is 198.2 secs Computing kpt #: 120 total cpu time spent up to now is 199.8 secs Computing kpt #: 121 total cpu time spent up to now is 201.5 secs Computing kpt #: 122 total cpu time spent up to now is 203.3 secs Computing kpt #: 123 total cpu time spent up to now is 205.0 secs Computing kpt #: 124 total cpu time spent up to now is 206.6 secs Computing kpt #: 125 total cpu time spent up to now is 208.2 secs Computing kpt #: 126 total cpu time spent up to now is 209.9 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.3 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.6 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.4 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.7 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.5 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.2 secs Computing kpt #: 138 total cpu time spent up to now is 239.1 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.1 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.5 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.4 secs Computing kpt #: 143 total cpu time spent up to now is 252.8 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.5 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.4 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.1 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.6 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.0 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 157 total cpu time spent up to now is 285.7 secs Computing kpt #: 158 total cpu time spent up to now is 287.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.8 secs Computing kpt #: 161 total cpu time spent up to now is 293.4 secs Computing kpt #: 162 total cpu time spent up to now is 295.4 secs Computing kpt #: 163 total cpu time spent up to now is 297.0 secs Computing kpt #: 164 total cpu time spent up to now is 298.5 secs Computing kpt #: 165 total cpu time spent up to now is 300.0 secs Computing kpt #: 166 total cpu time spent up to now is 301.6 secs Computing kpt #: 167 total cpu time spent up to now is 303.0 secs Computing kpt #: 168 total cpu time spent up to now is 304.5 secs Computing kpt #: 169 total cpu time spent up to now is 306.0 secs Computing kpt #: 170 total cpu time spent up to now is 307.4 secs Computing kpt #: 171 total cpu time spent up to now is 308.9 secs Computing kpt #: 172 total cpu time spent up to now is 310.3 secs Computing kpt #: 173 total cpu time spent up to now is 311.7 secs Computing kpt #: 174 total cpu time spent up to now is 313.2 secs Computing kpt #: 175 total cpu time spent up to now is 314.8 secs Computing kpt #: 176 total cpu time spent up to now is 316.3 secs Computing kpt #: 177 total cpu time spent up to now is 318.0 secs Computing kpt #: 178 total cpu time spent up to now is 319.7 secs Computing kpt #: 179 total cpu time spent up to now is 321.6 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.1 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.6 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.1 secs Computing kpt #: 183 total cpu time spent up to now is 331.0 secs Computing kpt #: 184 total cpu time spent up to now is 333.0 secs Computing kpt #: 185 total cpu time spent up to now is 334.8 secs Computing kpt #: 186 total cpu time spent up to now is 336.7 secs Computing kpt #: 187 total cpu time spent up to now is 338.5 secs Computing kpt #: 188 total cpu time spent up to now is 340.3 secs Computing kpt #: 189 total cpu time spent up to now is 342.1 secs Computing kpt #: 190 total cpu time spent up to now is 343.8 secs Computing kpt #: 191 total cpu time spent up to now is 345.4 secs Computing kpt #: 192 total cpu time spent up to now is 347.1 secs Computing kpt #: 193 total cpu time spent up to now is 348.9 secs Computing kpt #: 194 total cpu time spent up to now is 350.6 secs Computing kpt #: 195 total cpu time spent up to now is 352.3 secs Computing kpt #: 196 total cpu time spent up to now is 354.1 secs Computing kpt #: 197 total cpu time spent up to now is 355.8 secs Computing kpt #: 198 total cpu time spent up to now is 357.5 secs Computing kpt #: 199 total cpu time spent up to now is 359.4 secs Computing kpt #: 200 total cpu time spent up to now is 361.1 secs Computing kpt #: 201 total cpu time spent up to now is 363.0 secs Computing kpt #: 202 total cpu time spent up to now is 364.9 secs Computing kpt #: 203 total cpu time spent up to now is 366.8 secs Computing kpt #: 204 total cpu time spent up to now is 368.7 secs Computing kpt #: 205 total cpu time spent up to now is 370.6 secs Computing kpt #: 206 total cpu time spent up to now is 372.8 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.2 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.7 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.2 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.8 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.4 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.0 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.6 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.1 secs Computing kpt #: 215 total cpu time spent up to now is 395.6 secs Computing kpt #: 216 total cpu time spent up to now is 397.7 secs Computing kpt #: 217 total cpu time spent up to now is 400.0 secs Computing kpt #: 218 total cpu time spent up to now is 402.0 secs Computing kpt #: 219 total cpu time spent up to now is 404.0 secs Computing kpt #: 220 total cpu time spent up to now is 405.9 secs Computing kpt #: 221 total cpu time spent up to now is 407.8 secs Computing kpt #: 222 total cpu time spent up to now is 409.8 secs Computing kpt #: 223 total cpu time spent up to now is 411.7 secs Computing kpt #: 224 total cpu time spent up to now is 413.7 secs Computing kpt #: 225 total cpu time spent up to now is 415.6 secs Computing kpt #: 226 total cpu time spent up to now is 417.6 secs Computing kpt #: 227 total cpu time spent up to now is 419.8 secs Computing kpt #: 228 total cpu time spent up to now is 421.7 secs Computing kpt #: 229 total cpu time spent up to now is 424.2 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.6 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.2 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.6 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.2 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.6 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.2 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.7 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.2 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.7 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.1 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.7 secs Computing kpt #: 241 total cpu time spent up to now is 453.7 secs Computing kpt #: 242 total cpu time spent up to now is 455.8 secs Computing kpt #: 243 total cpu time spent up to now is 457.7 secs Computing kpt #: 244 total cpu time spent up to now is 459.7 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.2 secs Computing kpt #: 246 total cpu time spent up to now is 464.3 secs Computing kpt #: 247 total cpu time spent up to now is 466.0 secs Computing kpt #: 248 total cpu time spent up to now is 467.7 secs Computing kpt #: 249 total cpu time spent up to now is 469.8 secs Computing kpt #: 250 total cpu time spent up to now is 471.8 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.2 secs Computing kpt #: 252 total cpu time spent up to now is 476.3 secs Computing kpt #: 253 total cpu time spent up to now is 478.4 secs Computing kpt #: 254 total cpu time spent up to now is 480.1 secs Computing kpt #: 255 total cpu time spent up to now is 481.7 secs Computing kpt #: 256 total cpu time spent up to now is 483.4 secs Computing kpt #: 257 total cpu time spent up to now is 484.8 secs Computing kpt #: 258 total cpu time spent up to now is 486.4 secs Computing kpt #: 259 total cpu time spent up to now is 487.9 secs Computing kpt #: 260 total cpu time spent up to now is 489.3 secs Computing kpt #: 261 total cpu time spent up to now is 490.8 secs Computing kpt #: 262 total cpu time spent up to now is 492.3 secs Computing kpt #: 263 total cpu time spent up to now is 493.7 secs Computing kpt #: 264 total cpu time spent up to now is 495.1 secs Computing kpt #: 265 total cpu time spent up to now is 496.6 secs Computing kpt #: 266 total cpu time spent up to now is 498.0 secs Computing kpt #: 267 total cpu time spent up to now is 499.4 secs Computing kpt #: 268 total cpu time spent up to now is 500.9 secs Computing kpt #: 269 total cpu time spent up to now is 502.3 secs Computing kpt #: 270 total cpu time spent up to now is 503.8 secs Computing kpt #: 271 total cpu time spent up to now is 505.2 secs Computing kpt #: 272 total cpu time spent up to now is 506.6 secs Computing kpt #: 273 total cpu time spent up to now is 508.0 secs Computing kpt #: 274 total cpu time spent up to now is 509.5 secs Computing kpt #: 275 total cpu time spent up to now is 510.9 secs Computing kpt #: 276 total cpu time spent up to now is 512.4 secs Computing kpt #: 277 total cpu time spent up to now is 513.9 secs Computing kpt #: 278 total cpu time spent up to now is 515.4 secs Computing kpt #: 279 total cpu time spent up to now is 516.9 secs Computing kpt #: 280 total cpu time spent up to now is 518.4 secs Computing kpt #: 281 total cpu time spent up to now is 519.8 secs Computing kpt #: 282 total cpu time spent up to now is 521.5 secs Computing kpt #: 283 total cpu time spent up to now is 523.1 secs Computing kpt #: 284 total cpu time spent up to now is 524.7 secs Computing kpt #: 285 total cpu time spent up to now is 526.3 secs Computing kpt #: 286 total cpu time spent up to now is 527.9 secs Computing kpt #: 287 total cpu time spent up to now is 529.5 secs Computing kpt #: 288 total cpu time spent up to now is 531.1 secs Computing kpt #: 289 total cpu time spent up to now is 532.7 secs Computing kpt #: 290 total cpu time spent up to now is 534.4 secs Computing kpt #: 291 total cpu time spent up to now is 536.0 secs Computing kpt #: 292 total cpu time spent up to now is 537.9 secs Computing kpt #: 293 total cpu time spent up to now is 541.4 secs Computing kpt #: 294 total cpu time spent up to now is 543.4 secs Computing kpt #: 295 total cpu time spent up to now is 545.0 secs Computing kpt #: 296 total cpu time spent up to now is 546.7 secs Computing kpt #: 297 total cpu time spent up to now is 548.3 secs Computing kpt #: 298 total cpu time spent up to now is 550.0 secs Computing kpt #: 299 total cpu time spent up to now is 551.7 secs Computing kpt #: 300 total cpu time spent up to now is 553.3 secs Computing kpt #: 301 total cpu time spent up to now is 555.0 secs Computing kpt #: 302 total cpu time spent up to now is 556.7 secs Computing kpt #: 303 total cpu time spent up to now is 558.6 secs Computing kpt #: 304 total cpu time spent up to now is 560.3 secs Computing kpt #: 305 total cpu time spent up to now is 562.0 secs Computing kpt #: 306 total cpu time spent up to now is 563.7 secs Computing kpt #: 307 total cpu time spent up to now is 565.5 secs Computing kpt #: 308 total cpu time spent up to now is 567.6 secs Computing kpt #: 309 total cpu time spent up to now is 569.2 secs Computing kpt #: 310 total cpu time spent up to now is 570.8 secs Computing kpt #: 311 total cpu time spent up to now is 572.7 secs Computing kpt #: 312 total cpu time spent up to now is 574.6 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.3 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.8 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.3 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 584.8 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 587.2 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.6 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 592.0 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 594.4 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.8 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 599.2 secs Computing kpt #: 323 total cpu time spent up to now is 601.5 secs Computing kpt #: 324 total cpu time spent up to now is 603.5 secs Computing kpt #: 325 total cpu time spent up to now is 605.4 secs Computing kpt #: 326 total cpu time spent up to now is 607.0 secs Computing kpt #: 327 total cpu time spent up to now is 608.7 secs Computing kpt #: 328 total cpu time spent up to now is 610.6 secs Computing kpt #: 329 total cpu time spent up to now is 612.5 secs Computing kpt #: 330 total cpu time spent up to now is 614.3 secs Computing kpt #: 331 total cpu time spent up to now is 616.0 secs Computing kpt #: 332 total cpu time spent up to now is 617.6 secs Computing kpt #: 333 total cpu time spent up to now is 619.3 secs Computing kpt #: 334 total cpu time spent up to now is 621.0 secs Computing kpt #: 335 total cpu time spent up to now is 622.7 secs Computing kpt #: 336 total cpu time spent up to now is 624.3 secs Computing kpt #: 337 total cpu time spent up to now is 626.0 secs Computing kpt #: 338 total cpu time spent up to now is 627.6 secs Computing kpt #: 339 total cpu time spent up to now is 629.3 secs Computing kpt #: 340 total cpu time spent up to now is 631.1 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 633.7 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 636.2 secs Computing kpt #: 343 total cpu time spent up to now is 638.5 secs Computing kpt #: 344 total cpu time spent up to now is 640.8 secs Computing kpt #: 345 total cpu time spent up to now is 642.6 secs Computing kpt #: 346 total cpu time spent up to now is 644.5 secs Computing kpt #: 347 total cpu time spent up to now is 646.5 secs Computing kpt #: 348 total cpu time spent up to now is 648.5 secs Computing kpt #: 349 total cpu time spent up to now is 650.7 secs Computing kpt #: 350 total cpu time spent up to now is 652.8 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 655.3 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 657.7 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.3 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.0 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 665.5 secs Computing kpt #: 356 total cpu time spent up to now is 667.9 secs Computing kpt #: 357 total cpu time spent up to now is 669.8 secs Computing kpt #: 358 total cpu time spent up to now is 672.0 secs Computing kpt #: 359 total cpu time spent up to now is 673.9 secs Computing kpt #: 360 total cpu time spent up to now is 675.8 secs Computing kpt #: 361 total cpu time spent up to now is 677.8 secs Computing kpt #: 362 total cpu time spent up to now is 679.2 secs Computing kpt #: 363 total cpu time spent up to now is 680.5 secs Computing kpt #: 364 total cpu time spent up to now is 681.9 secs Computing kpt #: 365 total cpu time spent up to now is 683.3 secs Computing kpt #: 366 total cpu time spent up to now is 684.7 secs Computing kpt #: 367 total cpu time spent up to now is 686.1 secs Computing kpt #: 368 total cpu time spent up to now is 687.5 secs Computing kpt #: 369 total cpu time spent up to now is 688.9 secs Computing kpt #: 370 total cpu time spent up to now is 690.3 secs Computing kpt #: 371 total cpu time spent up to now is 691.7 secs Computing kpt #: 372 total cpu time spent up to now is 693.1 secs Computing kpt #: 373 total cpu time spent up to now is 694.5 secs Computing kpt #: 374 total cpu time spent up to now is 695.9 secs Computing kpt #: 375 total cpu time spent up to now is 697.5 secs Computing kpt #: 376 total cpu time spent up to now is 698.9 secs Computing kpt #: 377 total cpu time spent up to now is 700.5 secs Computing kpt #: 378 total cpu time spent up to now is 702.0 secs Computing kpt #: 379 total cpu time spent up to now is 703.6 secs Computing kpt #: 380 total cpu time spent up to now is 705.2 secs Computing kpt #: 381 total cpu time spent up to now is 706.9 secs Computing kpt #: 382 total cpu time spent up to now is 708.5 secs Computing kpt #: 383 total cpu time spent up to now is 710.1 secs Computing kpt #: 384 total cpu time spent up to now is 711.6 secs Computing kpt #: 385 total cpu time spent up to now is 713.3 secs Computing kpt #: 386 total cpu time spent up to now is 715.1 secs Computing kpt #: 387 total cpu time spent up to now is 716.7 secs Computing kpt #: 388 total cpu time spent up to now is 718.4 secs Computing kpt #: 389 total cpu time spent up to now is 720.0 secs Computing kpt #: 390 total cpu time spent up to now is 721.7 secs ethr = 2.38E-11, avg # of iterations = 65.8 total cpu time spent up to now is 721.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3921 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8001 -14.8001 -14.5160 -14.5160 -14.4909 -14.4909 -14.4270 -14.4270 -14.4117 -14.4117 2.3820 2.3820 2.7039 2.7039 2.7197 2.7197 2.9878 2.9878 3.0342 3.0342 3.4331 3.4331 3.6128 3.6128 3.6806 3.6806 3.7590 3.7590 3.9511 3.9511 4.0051 4.0051 6.4608 6.4608 7.7205 7.7205 9.0132 9.0132 9.7295 9.7295 10.2356 10.2356 10.4075 10.4075 k = 0.0064 0.0180-0.0000 ( 3921 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8803 -14.8803 -14.8002 -14.8002 -14.5159 -14.5159 -14.4910 -14.4910 -14.4270 -14.4270 -14.4117 -14.4117 2.3832 2.3832 2.7040 2.7040 2.7197 2.7197 2.9885 2.9885 3.0342 3.0342 3.4329 3.4329 3.6124 3.6124 3.6812 3.6812 3.7590 3.7590 3.9510 3.9510 4.0050 4.0050 6.4620 6.4620 7.7212 7.7212 9.0129 9.0129 9.7286 9.7286 10.2356 10.2356 10.3960 10.3960 k = 0.0128 0.0360-0.0000 ( 3917 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8003 -14.8003 -14.5159 -14.5159 -14.4911 -14.4911 -14.4270 -14.4270 -14.4119 -14.4119 2.3868 2.3868 2.7042 2.7042 2.7198 2.7198 2.9907 2.9907 3.0339 3.0339 3.4322 3.4322 3.6113 3.6113 3.6830 3.6830 3.7592 3.7592 3.9507 3.9507 4.0047 4.0047 6.4658 6.4658 7.7233 7.7233 9.0122 9.0122 9.7258 9.7258 10.2356 10.2356 10.3644 10.3644 k = 0.0192 0.0540-0.0000 ( 3913 PWs) bands (ev): -33.5992 -33.5992 -33.5761 -33.5761 -14.8802 -14.8802 -14.8006 -14.8006 -14.5157 -14.5157 -14.4913 -14.4913 -14.4271 -14.4271 -14.4122 -14.4122 2.3927 2.3927 2.7045 2.7045 2.7200 2.7200 2.9943 2.9943 3.0335 3.0335 3.4310 3.4310 3.6095 3.6095 3.6860 3.6860 3.7595 3.7595 3.9503 3.9503 4.0043 4.0043 6.4720 6.4720 7.7267 7.7267 9.0110 9.0110 9.7211 9.7211 10.2358 10.2358 10.3183 10.3183 k = 0.0256 0.0720-0.0000 ( 3915 PWs) bands (ev): -33.5991 -33.5991 -33.5761 -33.5761 -14.8802 -14.8802 -14.8010 -14.8010 -14.5155 -14.5155 -14.4916 -14.4916 -14.4271 -14.4271 -14.4126 -14.4126 2.4008 2.4008 2.7050 2.7050 2.7202 2.7202 2.9995 2.9995 3.0329 3.0329 3.4293 3.4293 3.6070 3.6070 3.6899 3.6899 3.7599 3.7599 3.9498 3.9498 4.0037 4.0037 6.4806 6.4806 7.7313 7.7313 9.0092 9.0092 9.7143 9.7143 10.2366 10.2366 10.2628 10.2628 k = 0.0320 0.0900-0.0000 ( 3911 PWs) bands (ev): -33.5990 -33.5990 -33.5761 -33.5761 -14.8801 -14.8801 -14.8015 -14.8015 -14.5153 -14.5153 -14.4919 -14.4919 -14.4272 -14.4272 -14.4131 -14.4131 2.4112 2.4112 2.7055 2.7055 2.7204 2.7204 3.0062 3.0062 3.0321 3.0321 3.4272 3.4272 3.6042 3.6042 3.6947 3.6947 3.7605 3.7605 3.9491 3.9491 4.0030 4.0030 6.4918 6.4918 7.7370 7.7370 9.0066 9.0066 9.7051 9.7051 10.2002 10.2002 10.2390 10.2390 k = 0.0384 0.1080-0.0000 ( 3915 PWs) bands (ev): -33.5988 -33.5988 -33.5762 -33.5762 -14.8800 -14.8800 -14.8022 -14.8022 -14.5150 -14.5150 -14.4923 -14.4923 -14.4274 -14.4274 -14.4138 -14.4138 2.4235 2.4235 2.7061 2.7061 2.7208 2.7208 3.0144 3.0144 3.0312 3.0312 3.4246 3.4246 3.6011 3.6011 3.7003 3.7003 3.7611 3.7611 3.9482 3.9482 4.0021 4.0021 6.5054 6.5054 7.7437 7.7437 9.0030 9.0030 9.6934 9.6934 10.1335 10.1335 10.2426 10.2426 k = 0.0448 0.1260-0.0000 ( 3907 PWs) bands (ev): -33.5987 -33.5987 -33.5763 -33.5763 -14.8799 -14.8799 -14.8029 -14.8029 -14.5146 -14.5146 -14.4928 -14.4928 -14.4275 -14.4275 -14.4145 -14.4145 2.4377 2.4377 2.7069 2.7069 2.7212 2.7212 3.0241 3.0241 3.0304 3.0304 3.4215 3.4215 3.5979 3.5979 3.7066 3.7066 3.7620 3.7620 3.9473 3.9473 4.0010 4.0010 6.5214 6.5214 7.7511 7.7511 8.9983 8.9983 9.6791 9.6791 10.0631 10.0631 10.2483 10.2483 k = 0.0512 0.1441-0.0000 ( 3903 PWs) bands (ev): -33.5985 -33.5985 -33.5763 -33.5763 -14.8798 -14.8798 -14.8038 -14.8038 -14.5142 -14.5142 -14.4933 -14.4933 -14.4278 -14.4278 -14.4154 -14.4154 2.4537 2.4537 2.7077 2.7077 2.7218 2.7218 3.0278 3.0278 3.0371 3.0371 3.4179 3.4179 3.5946 3.5946 3.7135 3.7135 3.7630 3.7630 3.9463 3.9463 3.9997 3.9997 6.5398 6.5398 7.7590 7.7590 8.9920 8.9920 9.6621 9.6621 9.9900 9.9900 10.2566 10.2566 k = 0.0576 0.1621-0.0000 ( 3897 PWs) bands (ev): -33.5982 -33.5982 -33.5764 -33.5764 -14.8796 -14.8796 -14.8047 -14.8047 -14.5138 -14.5138 -14.4939 -14.4939 -14.4280 -14.4280 -14.4163 -14.4163 2.4711 2.4711 2.7087 2.7087 2.7224 2.7224 3.0264 3.0264 3.0509 3.0509 3.4139 3.4139 3.5913 3.5913 3.7211 3.7211 3.7641 3.7641 3.9452 3.9452 3.9983 3.9983 6.5607 6.5607 7.7672 7.7672 8.9840 8.9840 9.6424 9.6424 9.9148 9.9148 10.2677 10.2677 k = 0.0640 0.1801-0.0000 ( 3881 PWs) bands (ev): -33.5980 -33.5980 -33.5765 -33.5765 -14.8795 -14.8795 -14.8058 -14.8058 -14.5133 -14.5133 -14.4944 -14.4944 -14.4283 -14.4283 -14.4172 -14.4172 2.4898 2.4898 2.7097 2.7097 2.7231 2.7231 3.0246 3.0246 3.0669 3.0669 3.4096 3.4096 3.5881 3.5881 3.7293 3.7293 3.7655 3.7655 3.9440 3.9440 3.9968 3.9968 6.5839 6.5839 7.7751 7.7751 8.9738 8.9738 9.6202 9.6202 9.8381 9.8381 10.2819 10.2819 k = 0.0704 0.1981-0.0000 ( 3885 PWs) bands (ev): -33.5977 -33.5977 -33.5766 -33.5766 -14.8793 -14.8793 -14.8069 -14.8069 -14.5128 -14.5128 -14.4951 -14.4951 -14.4288 -14.4288 -14.4183 -14.4183 2.5094 2.5094 2.7108 2.7108 2.7238 2.7238 3.0224 3.0224 3.0852 3.0852 3.4048 3.4048 3.5851 3.5851 3.7380 3.7380 3.7669 3.7669 3.9428 3.9428 3.9951 3.9951 6.6096 6.6096 7.7825 7.7825 8.9612 8.9612 9.5956 9.5956 9.7606 9.7606 10.2991 10.2991 k = 0.0768 0.2161-0.0000 ( 3889 PWs) bands (ev): -33.5974 -33.5974 -33.5767 -33.5767 -14.8791 -14.8791 -14.8082 -14.8082 -14.5122 -14.5122 -14.4957 -14.4957 -14.4293 -14.4293 -14.4194 -14.4194 2.5296 2.5296 2.7120 2.7120 2.7246 2.7246 3.0200 3.0200 3.1058 3.1058 3.3996 3.3996 3.5824 3.5824 3.7472 3.7472 3.7687 3.7687 3.9416 3.9416 3.9932 3.9932 6.6375 6.6375 7.7886 7.7886 8.9457 8.9457 9.5690 9.5690 9.6830 9.6830 10.3194 10.3194 k = 0.0832 0.2341-0.0000 ( 3897 PWs) bands (ev): -33.5971 -33.5971 -33.5769 -33.5769 -14.8789 -14.8789 -14.8096 -14.8096 -14.5117 -14.5117 -14.4964 -14.4964 -14.4299 -14.4299 -14.4204 -14.4204 2.5502 2.5502 2.7133 2.7133 2.7255 2.7255 3.0173 3.0173 3.1289 3.1289 3.3942 3.3942 3.5802 3.5802 3.7568 3.7568 3.7707 3.7707 3.9403 3.9403 3.9912 3.9912 6.6677 6.6677 7.7928 7.7928 8.9270 8.9270 9.5404 9.5404 9.6062 9.6062 10.3428 10.3428 k = 0.0896 0.2521-0.0000 ( 3899 PWs) bands (ev): -33.5968 -33.5968 -33.5770 -33.5770 -14.8787 -14.8787 -14.8111 -14.8111 -14.5111 -14.5111 -14.4971 -14.4971 -14.4306 -14.4306 -14.4215 -14.4215 2.5707 2.5707 2.7146 2.7146 2.7265 2.7265 3.0143 3.0143 3.1544 3.1544 3.3884 3.3884 3.5786 3.5786 3.7664 3.7664 3.7736 3.7736 3.9391 3.9391 3.9891 3.9891 6.7002 6.7002 7.7945 7.7945 8.9047 8.9047 9.5089 9.5089 9.5324 9.5324 10.3692 10.3692 k = 0.0960 0.2701-0.0000 ( 3903 PWs) bands (ev): -33.5965 -33.5965 -33.5771 -33.5771 -14.8785 -14.8785 -14.8126 -14.8126 -14.5105 -14.5105 -14.4978 -14.4978 -14.4315 -14.4315 -14.4225 -14.4225 2.5909 2.5909 2.7161 2.7161 2.7277 2.7277 3.0112 3.0112 3.1822 3.1822 3.3825 3.3825 3.5780 3.5780 3.7733 3.7733 3.7799 3.7799 3.9380 3.9380 3.9868 3.9868 6.7349 6.7349 7.7926 7.7926 8.8785 8.8785 9.4543 9.4543 9.4832 9.4832 10.3984 10.3984 k = 0.1024 0.2881-0.0000 ( 3897 PWs) bands (ev): -33.5961 -33.5961 -33.5773 -33.5773 -14.8782 -14.8782 -14.8142 -14.8142 -14.5099 -14.5099 -14.4984 -14.4984 -14.4324 -14.4324 -14.4234 -14.4234 2.6106 2.6106 2.7176 2.7176 2.7289 2.7289 3.0078 3.0078 3.2119 3.2119 3.3765 3.3765 3.5787 3.5787 3.7772 3.7772 3.7901 3.7901 3.9370 3.9370 3.9845 3.9845 6.7718 6.7718 7.7862 7.7862 8.8482 8.8482 9.3861 9.3861 9.4506 9.4506 10.4300 10.4300 k = 0.1088 0.3061-0.0000 ( 3897 PWs) bands (ev): -33.5957 -33.5957 -33.5775 -33.5775 -14.8779 -14.8779 -14.8159 -14.8159 -14.5093 -14.5093 -14.4990 -14.4990 -14.4335 -14.4335 -14.4243 -14.4243 2.6293 2.6293 2.7193 2.7193 2.7304 2.7304 3.0042 3.0042 3.2430 3.2430 3.3704 3.3704 3.5814 3.5814 3.7810 3.7810 3.8012 3.8012 3.9362 3.9362 3.9820 3.9820 6.8107 6.8107 7.7742 7.7742 8.8135 8.8135 9.3218 9.3218 9.4184 9.4184 10.4259 10.4259 k = 0.1152 0.3241-0.0000 ( 3893 PWs) bands (ev): -33.5953 -33.5953 -33.5777 -33.5777 -14.8776 -14.8776 -14.8176 -14.8176 -14.5087 -14.5087 -14.4996 -14.4996 -14.4346 -14.4346 -14.4251 -14.4251 2.6468 2.6468 2.7211 2.7211 2.7322 2.7322 3.0005 3.0005 3.2743 3.2743 3.3646 3.3646 3.5866 3.5866 3.7855 3.7855 3.8126 3.8126 3.9355 3.9355 3.9795 3.9795 6.8516 6.8516 7.7554 7.7554 8.7744 8.7744 9.2634 9.2634 9.3861 9.3861 10.3869 10.3869 k = 0.1216 0.3421-0.0000 ( 3885 PWs) bands (ev): -33.5949 -33.5949 -33.5779 -33.5779 -14.8772 -14.8772 -14.8194 -14.8194 -14.5081 -14.5081 -14.5001 -14.5001 -14.4358 -14.4358 -14.4258 -14.4258 2.6629 2.6629 2.7230 2.7230 2.7344 2.7344 2.9966 2.9966 3.3038 3.3038 3.3600 3.3600 3.5952 3.5952 3.7911 3.7911 3.8244 3.8244 3.9351 3.9351 3.9768 3.9768 6.8944 6.8944 7.7290 7.7290 8.7307 8.7307 9.2123 9.2123 9.3540 9.3540 10.3490 10.3490 k = 0.1280 0.3601-0.0000 ( 3877 PWs) bands (ev): -33.5944 -33.5944 -33.5781 -33.5781 -14.8768 -14.8768 -14.8212 -14.8212 -14.5076 -14.5076 -14.5006 -14.5006 -14.4370 -14.4370 -14.4266 -14.4266 2.6772 2.6772 2.7250 2.7250 2.7373 2.7373 2.9926 2.9926 3.3266 3.3266 3.3596 3.3596 3.6084 3.6084 3.7984 3.7984 3.8364 3.8364 3.9351 3.9351 3.9741 3.9741 6.9388 6.9388 7.6941 7.6941 8.6826 8.6826 9.1694 9.1694 9.3222 9.3222 10.3124 10.3124 k = 0.1344 0.3781-0.0000 ( 3877 PWs) bands (ev): -33.5940 -33.5940 -33.5783 -33.5783 -14.8764 -14.8764 -14.8231 -14.8231 -14.5071 -14.5071 -14.5010 -14.5010 -14.4383 -14.4383 -14.4273 -14.4273 2.6894 2.6894 2.7270 2.7270 2.7413 2.7413 2.9884 2.9884 3.3336 3.3336 3.3709 3.3709 3.6265 3.6265 3.8083 3.8083 3.8486 3.8486 3.9357 3.9357 3.9714 3.9714 6.9847 6.9847 7.6502 7.6502 8.6303 8.6303 9.1353 9.1353 9.2908 9.2908 10.2774 10.2774 k = 0.1408 0.3961-0.0000 ( 3875 PWs) bands (ev): -33.5936 -33.5936 -33.5785 -33.5785 -14.8759 -14.8759 -14.8250 -14.8250 -14.5067 -14.5067 -14.5014 -14.5014 -14.4395 -14.4395 -14.4281 -14.4281 2.6993 2.6993 2.7288 2.7288 2.7467 2.7467 2.9842 2.9842 3.3306 3.3306 3.3870 3.3870 3.6486 3.6486 3.8216 3.8216 3.8617 3.8617 3.9371 3.9371 3.9687 3.9687 7.0318 7.0318 7.5974 7.5974 8.5741 8.5741 9.1102 9.1102 9.2602 9.2602 10.2439 10.2439 k = 0.1472 0.4141-0.0000 ( 3869 PWs) bands (ev): -33.5931 -33.5931 -33.5788 -33.5788 -14.8754 -14.8754 -14.8269 -14.8269 -14.5063 -14.5063 -14.5016 -14.5016 -14.4407 -14.4407 -14.4288 -14.4288 2.7068 2.7068 2.7304 2.7304 2.7536 2.7536 2.9799 2.9799 3.3254 3.3254 3.4001 3.4001 3.6723 3.6723 3.8388 3.8388 3.8771 3.8771 3.9400 3.9400 3.9661 3.9661 7.0797 7.0797 7.5359 7.5359 8.5145 8.5145 9.0938 9.0938 9.2305 9.2305 10.2120 10.2120 k = 0.1536 0.4322-0.0000 ( 3865 PWs) bands (ev): -33.5926 -33.5926 -33.5790 -33.5790 -14.8749 -14.8749 -14.8288 -14.8288 -14.5061 -14.5061 -14.5018 -14.5018 -14.4419 -14.4419 -14.4295 -14.4295 2.7125 2.7125 2.7319 2.7319 2.7615 2.7615 2.9756 2.9756 3.3197 3.3197 3.4092 3.4092 3.6940 3.6940 3.8567 3.8567 3.8980 3.8980 3.9463 3.9463 3.9642 3.9642 7.1275 7.1275 7.4668 7.4668 8.4523 8.4523 9.0854 9.0854 9.2022 9.2022 10.1817 10.1817 k = 0.1600 0.4502-0.0000 ( 3865 PWs) bands (ev): -33.5921 -33.5921 -33.5793 -33.5793 -14.8743 -14.8743 -14.8308 -14.8308 -14.5059 -14.5059 -14.5019 -14.5019 -14.4430 -14.4430 -14.4303 -14.4303 2.7169 2.7169 2.7332 2.7332 2.7700 2.7700 2.9713 2.9713 3.3138 3.3138 3.4150 3.4150 3.7115 3.7115 3.8703 3.8703 3.9209 3.9209 3.9557 3.9557 3.9728 3.9728 7.1741 7.1741 7.3914 7.3914 8.3883 8.3883 9.0836 9.0836 9.1759 9.1759 10.1532 10.1532 k = 0.1664 0.4682-0.0000 ( 3862 PWs) bands (ev): -33.5916 -33.5916 -33.5796 -33.5796 -14.8737 -14.8737 -14.8328 -14.8328 -14.5058 -14.5058 -14.5019 -14.5019 -14.4440 -14.4440 -14.4310 -14.4310 2.7204 2.7204 2.7344 2.7344 2.7785 2.7785 2.9671 2.9671 3.3080 3.3080 3.4181 3.4181 3.7247 3.7247 3.8796 3.8796 3.9341 3.9341 3.9553 3.9553 4.0156 4.0156 7.2147 7.2147 7.3145 7.3145 8.3240 8.3240 9.0857 9.0857 9.1537 9.1537 10.1264 10.1264 k = 0.1728 0.4862-0.0000 ( 3854 PWs) bands (ev): -33.5911 -33.5911 -33.5799 -33.5799 -14.8730 -14.8730 -14.8347 -14.8347 -14.5056 -14.5056 -14.5019 -14.5019 -14.4449 -14.4449 -14.4318 -14.4318 2.7234 2.7234 2.7355 2.7355 2.7868 2.7868 2.9629 2.9629 3.3024 3.3024 3.4195 3.4195 3.7343 3.7343 3.8860 3.8860 3.9420 3.9420 3.9531 3.9531 4.0766 4.0766 7.2022 7.2022 7.2828 7.2828 8.2613 8.2613 9.0847 9.0847 9.1416 9.1416 10.1013 10.1013 k = 0.1792 0.5042-0.0000 ( 3856 PWs) bands (ev): -33.5906 -33.5906 -33.5802 -33.5802 -14.8723 -14.8723 -14.8367 -14.8367 -14.5055 -14.5055 -14.5019 -14.5019 -14.4457 -14.4457 -14.4326 -14.4326 2.7260 2.7260 2.7365 2.7365 2.7948 2.7948 2.9589 2.9589 3.2970 3.2970 3.4195 3.4195 3.7416 3.7416 3.8905 3.8905 3.9473 3.9473 3.9521 3.9521 4.1472 4.1472 7.1196 7.1196 7.3118 7.3118 8.2029 8.2029 9.0730 9.0730 9.1465 9.1465 10.0780 10.0780 k = 0.1856 0.5222-0.0000 ( 3852 PWs) bands (ev): -33.5902 -33.5902 -33.5806 -33.5806 -14.8715 -14.8715 -14.8386 -14.8386 -14.5054 -14.5054 -14.5019 -14.5019 -14.4464 -14.4464 -14.4334 -14.4334 2.7284 2.7284 2.7375 2.7375 2.8022 2.8022 2.9550 2.9550 3.2919 3.2919 3.4186 3.4186 3.7472 3.7472 3.8937 3.8937 3.9463 3.9463 3.9573 3.9573 4.2242 4.2242 7.0273 7.0273 7.3390 7.3390 8.1524 8.1524 9.0542 9.0542 9.1639 9.1639 10.0565 10.0565 k = 0.1920 0.5402-0.0000 ( 3866 PWs) bands (ev): -33.5897 -33.5897 -33.5809 -33.5809 -14.8708 -14.8708 -14.8406 -14.8406 -14.5053 -14.5053 -14.5020 -14.5020 -14.4470 -14.4470 -14.4342 -14.4342 2.7307 2.7307 2.7384 2.7384 2.8091 2.8091 2.9511 2.9511 3.2871 3.2871 3.4171 3.4171 3.7517 3.7517 3.8958 3.8958 3.9437 3.9437 3.9639 3.9639 4.3060 4.3060 6.9321 6.9321 7.3541 7.3541 8.1146 8.1146 9.0338 9.0338 9.1879 9.1879 10.0368 10.0368 k = 0.1984 0.5582-0.0000 ( 3870 PWs) bands (ev): -33.5892 -33.5892 -33.5813 -33.5813 -14.8699 -14.8699 -14.8425 -14.8425 -14.5051 -14.5051 -14.5022 -14.5022 -14.4475 -14.4475 -14.4351 -14.4351 2.7328 2.7328 2.7393 2.7393 2.8155 2.8155 2.9476 2.9476 3.2827 3.2827 3.4152 3.4152 3.7555 3.7555 3.8973 3.8973 3.9410 3.9410 3.9703 3.9703 4.3915 4.3915 6.8359 6.8359 7.3520 7.3520 8.0941 8.0941 9.0136 9.0136 9.2160 9.2160 10.0189 10.0189 k = 0.2048 0.5762-0.0000 ( 3870 PWs) bands (ev): -33.5887 -33.5887 -33.5817 -33.5817 -14.8690 -14.8690 -14.8444 -14.8444 -14.5049 -14.5049 -14.5023 -14.5023 -14.4478 -14.4478 -14.4359 -14.4359 2.7348 2.7348 2.7402 2.7402 2.8214 2.8214 2.9444 2.9444 3.2786 3.2786 3.4131 3.4131 3.7588 3.7588 3.8984 3.8984 3.9383 3.9383 3.9763 3.9763 4.4796 4.4796 6.7398 6.7398 7.3297 7.3297 8.0940 8.0940 8.9943 8.9943 9.2470 9.2470 10.0029 10.0029 k = 0.2112 0.5942-0.0000 ( 3866 PWs) bands (ev): -33.5882 -33.5882 -33.5820 -33.5820 -14.8679 -14.8679 -14.8462 -14.8462 -14.5046 -14.5046 -14.5025 -14.5025 -14.4480 -14.4480 -14.4367 -14.4367 2.7366 2.7366 2.7413 2.7413 2.8268 2.8268 2.9414 2.9414 3.2750 3.2750 3.4108 3.4108 3.7617 3.7617 3.8991 3.8991 3.9356 3.9356 3.9817 3.9817 4.5694 4.5694 6.6451 6.6451 7.2878 7.2878 8.1140 8.1140 8.9761 8.9761 9.2802 9.2802 9.9887 9.9887 k = 0.2176 0.6122-0.0000 ( 3874 PWs) bands (ev): -33.5877 -33.5877 -33.5824 -33.5824 -14.8669 -14.8669 -14.8480 -14.8480 -14.5043 -14.5043 -14.5028 -14.5028 -14.4481 -14.4481 -14.4376 -14.4376 2.7382 2.7382 2.7424 2.7424 2.8316 2.8316 2.9386 2.9386 3.2718 3.2718 3.4084 3.4084 3.7642 3.7642 3.8995 3.8995 3.9330 3.9330 3.9864 3.9864 4.6600 4.6600 6.5528 6.5528 7.2292 7.2292 8.1512 8.1512 8.9592 8.9592 9.3152 9.3152 9.9763 9.9763 k = 0.2240 0.6302-0.0000 ( 3868 PWs) bands (ev): -33.5872 -33.5872 -33.5828 -33.5828 -14.8657 -14.8657 -14.8497 -14.8497 -14.5039 -14.5039 -14.5030 -14.5030 -14.4481 -14.4481 -14.4384 -14.4384 2.7395 2.7395 2.7437 2.7437 2.8361 2.8361 2.9362 2.9362 3.2690 3.2690 3.4061 3.4061 3.7665 3.7665 3.8999 3.8999 3.9305 3.9305 3.9903 3.9903 4.7500 4.7500 6.4646 6.4646 7.1580 7.1580 8.2019 8.2019 8.9438 8.9438 9.3514 9.3514 9.9658 9.9658 k = 0.2304 0.6482-0.0000 ( 3866 PWs) bands (ev): -33.5867 -33.5867 -33.5832 -33.5832 -14.8645 -14.8645 -14.8514 -14.8514 -14.5038 -14.5038 -14.5031 -14.5031 -14.4479 -14.4479 -14.4392 -14.4392 2.7405 2.7405 2.7453 2.7453 2.8400 2.8400 2.9342 2.9342 3.2668 3.2668 3.4038 3.4038 3.7685 3.7685 3.9000 3.9000 3.9282 3.9282 3.9933 3.9933 4.8377 4.8377 6.3822 6.3822 7.0778 7.0778 8.2627 8.2627 8.9298 8.9298 9.3886 9.3886 9.9570 9.9570 k = 0.2368 0.6662-0.0000 ( 3868 PWs) bands (ev): -33.5862 -33.5862 -33.5837 -33.5837 -14.8633 -14.8633 -14.8530 -14.8530 -14.5040 -14.5040 -14.5027 -14.5027 -14.4477 -14.4477 -14.4399 -14.4399 2.7412 2.7412 2.7469 2.7469 2.8435 2.8435 2.9326 2.9326 3.2649 3.2649 3.4015 3.4015 3.7704 3.7704 3.8999 3.8999 3.9260 3.9260 3.9954 3.9954 4.9209 4.9209 6.3080 6.3080 6.9913 6.9913 8.3310 8.3310 8.9174 8.9174 9.4265 9.4265 9.9502 9.9502 k = 0.2432 0.6842-0.0000 ( 3866 PWs) bands (ev): -33.5858 -33.5858 -33.5841 -33.5841 -14.8621 -14.8621 -14.8544 -14.8544 -14.5044 -14.5044 -14.5022 -14.5022 -14.4475 -14.4475 -14.4406 -14.4406 2.7419 2.7419 2.7486 2.7486 2.8465 2.8465 2.9312 2.9312 3.2636 3.2636 3.3994 3.3994 3.7722 3.7722 3.8997 3.8997 3.9239 3.9239 3.9966 3.9966 4.9963 4.9963 6.2455 6.2455 6.9004 6.9004 8.4049 8.4049 8.9065 8.9065 9.4649 9.4649 9.9451 9.9451 k = 0.2496 0.7022-0.0000 ( 3866 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8608 -14.8608 -14.8558 -14.8558 -14.5048 -14.5048 -14.5017 -14.5017 -14.4472 -14.4472 -14.4412 -14.4412 2.7424 2.7424 2.7503 2.7503 2.8492 2.8492 2.9303 2.9303 3.2627 3.2627 3.3975 3.3975 3.7738 3.7738 3.8993 3.8993 3.9221 3.9221 3.9968 3.9968 5.0599 5.0599 6.1987 6.1987 6.8067 6.8067 8.4832 8.4832 8.8973 8.8973 9.5036 9.5036 9.9418 9.9418 k = 0.2560 0.7203-0.0000 ( 3870 PWs) bands (ev): -33.5850 -33.5850 -33.5849 -33.5849 -14.8597 -14.8597 -14.8569 -14.8569 -14.5051 -14.5051 -14.5011 -14.5011 -14.4468 -14.4468 -14.4417 -14.4417 2.7428 2.7428 2.7520 2.7520 2.8515 2.8515 2.9298 2.9298 3.2623 3.2623 3.3957 3.3957 3.7752 3.7752 3.8985 3.8985 3.9206 3.9206 3.9961 3.9961 5.1068 5.1068 6.1727 6.1727 6.7111 6.7111 8.5647 8.5647 8.8899 8.8899 9.5424 9.5424 9.9402 9.9402 k = 0.2624 0.7383-0.0000 ( 3870 PWs) bands (ev): -33.5855 -33.5855 -33.5844 -33.5844 -14.8596 -14.8596 -14.8569 -14.8569 -14.5055 -14.5055 -14.5005 -14.5005 -14.4466 -14.4466 -14.4421 -14.4421 2.7431 2.7431 2.7537 2.7537 2.8534 2.8534 2.9296 2.9296 3.2623 3.2623 3.3941 3.3941 3.7766 3.7766 3.8976 3.8976 3.9193 3.9193 3.9943 3.9943 5.1326 5.1326 6.1717 6.1717 6.6144 6.6144 8.6484 8.6484 8.8847 8.8847 9.5813 9.5813 9.9403 9.9403 k = 0.2688 0.7563-0.0000 ( 3866 PWs) bands (ev): -33.5860 -33.5860 -33.5840 -33.5840 -14.8605 -14.8605 -14.8557 -14.8557 -14.5058 -14.5058 -14.4998 -14.4998 -14.4464 -14.4464 -14.4423 -14.4423 2.7435 2.7435 2.7553 2.7553 2.8549 2.8549 2.9299 2.9299 3.2629 3.2629 3.3928 3.3928 3.7778 3.7778 3.8962 3.8962 3.9184 3.9184 3.9916 3.9916 5.1354 5.1354 6.1979 6.1979 6.5172 6.5172 8.7326 8.7326 8.8827 8.8827 9.6200 9.6200 9.9422 9.9422 k = 0.2752 0.7743-0.0000 ( 3874 PWs) bands (ev): -33.5864 -33.5864 -33.5836 -33.5836 -14.8616 -14.8616 -14.8542 -14.8542 -14.5062 -14.5062 -14.4993 -14.4993 -14.4464 -14.4464 -14.4422 -14.4422 2.7437 2.7437 2.7569 2.7569 2.8561 2.8561 2.9305 2.9305 3.2638 3.2638 3.3917 3.3917 3.7787 3.7787 3.8945 3.8945 3.9178 3.9178 3.9880 3.9880 5.1169 5.1169 6.2496 6.2496 6.4200 6.4200 8.8106 8.8106 8.8902 8.8902 9.6585 9.6585 9.9456 9.9456 k = 0.2816 0.7923-0.0000 ( 3878 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8627 -14.8627 -14.8526 -14.8526 -14.5065 -14.5065 -14.4987 -14.4987 -14.4464 -14.4464 -14.4419 -14.4419 2.7439 2.7439 2.7584 2.7584 2.8570 2.8570 2.9315 2.9315 3.2653 3.2653 3.3908 3.3908 3.7796 3.7796 3.8924 3.8924 3.9174 3.9174 3.9835 3.9835 5.0809 5.0809 6.3167 6.3167 6.3294 6.3294 8.8516 8.8516 8.9376 8.9376 9.6968 9.6968 9.9506 9.9506 k = 0.2816 0.7923-0.0000 ( 3878 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8627 -14.8627 -14.8526 -14.8526 -14.5065 -14.5065 -14.4987 -14.4987 -14.4464 -14.4464 -14.4419 -14.4419 2.7439 2.7439 2.7584 2.7584 2.8570 2.8570 2.9315 2.9315 3.2653 3.2653 3.3908 3.3908 3.7796 3.7796 3.8924 3.8924 3.9174 3.9174 3.9835 3.9835 5.0809 5.0809 6.3167 6.3167 6.3294 6.3294 8.8516 8.8516 8.9376 8.9376 9.6968 9.6968 9.9506 9.9506 k = 0.2628 0.7923-0.0000 ( 3875 PWs) bands (ev): -33.5868 -33.5868 -33.5833 -33.5833 -14.8624 -14.8624 -14.8531 -14.8531 -14.5064 -14.5064 -14.4989 -14.4989 -14.4464 -14.4464 -14.4420 -14.4420 2.7438 2.7438 2.7579 2.7579 2.8567 2.8567 2.9312 2.9312 3.2648 3.2648 3.3911 3.3911 3.7794 3.7794 3.8932 3.8932 3.9175 3.9175 3.9850 3.9850 5.0931 5.0931 6.2666 6.2666 6.3893 6.3893 8.8422 8.8422 8.9122 8.9122 9.6888 9.6888 9.9482 9.9482 k = 0.2440 0.7923-0.0000 ( 3871 PWs) bands (ev): -33.5866 -33.5866 -33.5834 -33.5834 -14.8621 -14.8621 -14.8536 -14.8536 -14.5063 -14.5063 -14.4991 -14.4991 -14.4464 -14.4464 -14.4420 -14.4420 2.7438 2.7438 2.7573 2.7573 2.8562 2.8562 2.9309 2.9309 3.2644 3.2644 3.3915 3.3915 3.7793 3.7793 3.8943 3.8943 3.9177 3.9177 3.9863 3.9863 5.1018 5.1018 6.2134 6.2134 6.4618 6.4618 8.8169 8.8169 8.8926 8.8926 9.6893 9.6893 9.9448 9.9448 k = 0.2253 0.7923-0.0000 ( 3867 PWs) bands (ev): -33.5865 -33.5865 -33.5835 -33.5835 -14.8618 -14.8618 -14.8540 -14.8540 -14.5061 -14.5061 -14.4993 -14.4993 -14.4465 -14.4465 -14.4420 -14.4420 2.7437 2.7437 2.7567 2.7567 2.8555 2.8555 2.9307 2.9307 3.2640 3.2640 3.3921 3.3921 3.7794 3.7794 3.8955 3.8955 3.9179 3.9179 3.9873 3.9873 5.1078 5.1078 6.1632 6.1632 6.5405 6.5405 8.7707 8.7707 8.8851 8.8851 9.6970 9.6970 9.9404 9.9404 k = 0.2065 0.7923-0.0000 ( 3861 PWs) bands (ev): -33.5863 -33.5863 -33.5837 -33.5837 -14.8615 -14.8615 -14.8544 -14.8544 -14.5060 -14.5060 -14.4995 -14.4995 -14.4466 -14.4466 -14.4419 -14.4419 2.7436 2.7436 2.7560 2.7560 2.8547 2.8547 2.9305 2.9305 3.2637 3.2637 3.3927 3.3927 3.7795 3.7795 3.8969 3.8969 3.9181 3.9181 3.9881 3.9881 5.1115 5.1115 6.1161 6.1161 6.6242 6.6242 8.7103 8.7103 8.8842 8.8842 9.7105 9.7105 9.9351 9.9351 k = 0.1877 0.7923-0.0000 ( 3857 PWs) bands (ev): -33.5862 -33.5862 -33.5838 -33.5838 -14.8612 -14.8612 -14.8547 -14.8547 -14.5059 -14.5059 -14.4997 -14.4997 -14.4468 -14.4468 -14.4417 -14.4417 2.7436 2.7436 2.7553 2.7553 2.8538 2.8538 2.9304 2.9304 3.2635 3.2635 3.3933 3.3933 3.7798 3.7798 3.8984 3.8984 3.9183 3.9183 3.9886 3.9886 5.1136 5.1136 6.0725 6.0725 6.7124 6.7124 8.6409 8.6409 8.8860 8.8860 9.7287 9.7287 9.9290 9.9290 k = 0.1689 0.7923-0.0000 ( 3852 PWs) bands (ev): -33.5860 -33.5860 -33.5839 -33.5839 -14.8610 -14.8610 -14.8551 -14.8551 -14.5058 -14.5058 -14.4999 -14.4999 -14.4469 -14.4469 -14.4416 -14.4416 2.7436 2.7436 2.7545 2.7545 2.8528 2.8528 2.9303 2.9303 3.2633 3.2633 3.3940 3.3940 3.7801 3.7801 3.9001 3.9001 3.9186 3.9186 3.9889 3.9889 5.1144 5.1144 6.0325 6.0325 6.8042 6.8042 8.5646 8.5646 8.8892 8.8892 9.7505 9.7505 9.9225 9.9225 k = 0.1502 0.7923-0.0000 ( 3854 PWs) bands (ev): -33.5859 -33.5859 -33.5840 -33.5840 -14.8609 -14.8609 -14.8553 -14.8553 -14.5056 -14.5056 -14.5002 -14.5002 -14.4470 -14.4470 -14.4414 -14.4414 2.7436 2.7436 2.7538 2.7538 2.8518 2.8518 2.9302 2.9302 3.2631 3.2631 3.3946 3.3946 3.7805 3.7805 3.9019 3.9019 3.9188 3.9188 3.9890 3.9890 5.1144 5.1144 5.9961 5.9961 6.8991 6.8991 8.4830 8.4830 8.8930 8.8930 9.7752 9.7752 9.9155 9.9155 k = 0.1314 0.7923-0.0000 ( 3860 PWs) bands (ev): -33.5858 -33.5858 -33.5841 -33.5841 -14.8607 -14.8607 -14.8556 -14.8556 -14.5055 -14.5055 -14.5004 -14.5004 -14.4472 -14.4472 -14.4413 -14.4413 2.7436 2.7436 2.7530 2.7530 2.8509 2.8509 2.9301 2.9301 3.2630 3.2630 3.3952 3.3952 3.7808 3.7808 3.9037 3.9037 3.9189 3.9189 3.9890 3.9890 5.1139 5.1139 5.9636 5.9636 6.9964 6.9964 8.3969 8.3969 8.8971 8.8971 9.8021 9.8021 9.9085 9.9085 k = 0.1126 0.7923-0.0000 ( 3864 PWs) bands (ev): -33.5857 -33.5857 -33.5842 -33.5842 -14.8606 -14.8606 -14.8558 -14.8558 -14.5054 -14.5054 -14.5006 -14.5006 -14.4474 -14.4474 -14.4411 -14.4411 2.7437 2.7437 2.7524 2.7524 2.8499 2.8499 2.9301 2.9301 3.2629 3.2629 3.3958 3.3958 3.7812 3.7812 3.9054 3.9054 3.9190 3.9190 3.9888 3.9888 5.1130 5.1130 5.9351 5.9351 7.0957 7.0957 8.3072 8.3072 8.9013 8.9013 9.8308 9.8308 9.9017 9.9017 k = 0.0939 0.7923-0.0000 ( 3869 PWs) bands (ev): -33.5856 -33.5856 -33.5843 -33.5843 -14.8606 -14.8606 -14.8559 -14.8559 -14.5053 -14.5053 -14.5008 -14.5008 -14.4475 -14.4475 -14.4410 -14.4410 2.7438 2.7438 2.7517 2.7517 2.8491 2.8491 2.9300 2.9300 3.2628 3.2628 3.3962 3.3962 3.7816 3.7816 3.9071 3.9071 3.9191 3.9191 3.9885 3.9885 5.1120 5.1120 5.9107 5.9107 7.1965 7.1965 8.2144 8.2144 8.9052 8.9052 9.8607 9.8607 9.8955 9.8955 k = 0.0751 0.7923-0.0000 ( 3870 PWs) bands (ev): -33.5855 -33.5855 -33.5844 -33.5844 -14.8605 -14.8605 -14.8560 -14.8560 -14.5052 -14.5052 -14.5010 -14.5010 -14.4476 -14.4476 -14.4409 -14.4409 2.7439 2.7439 2.7511 2.7511 2.8483 2.8483 2.9300 2.9300 3.2628 3.2628 3.3967 3.3967 3.7819 3.7819 3.9087 3.9087 3.9192 3.9192 3.9882 3.9882 5.1111 5.1111 5.8906 5.8906 7.2982 7.2982 8.1192 8.1192 8.9088 8.9088 9.8871 9.8871 9.8945 9.8945 k = 0.0563 0.7923-0.0000 ( 3868 PWs) bands (ev): -33.5854 -33.5854 -33.5845 -33.5845 -14.8605 -14.8605 -14.8561 -14.8561 -14.5051 -14.5051 -14.5011 -14.5011 -14.4477 -14.4477 -14.4408 -14.4408 2.7441 2.7441 2.7506 2.7506 2.8477 2.8477 2.9300 2.9300 3.2628 3.2628 3.3970 3.3970 3.7822 3.7822 3.9100 3.9100 3.9192 3.9192 3.9879 3.9879 5.1103 5.1103 5.8749 5.8749 7.4002 7.4002 8.0222 8.0222 8.9117 8.9117 9.8846 9.8846 9.9238 9.9238 k = 0.0375 0.7923-0.0000 ( 3864 PWs) bands (ev): -33.5854 -33.5854 -33.5845 -33.5845 -14.8604 -14.8604 -14.8562 -14.8562 -14.5051 -14.5051 -14.5012 -14.5012 -14.4477 -14.4477 -14.4407 -14.4407 2.7442 2.7442 2.7502 2.7502 2.8473 2.8473 2.9301 2.9301 3.2628 3.2628 3.3973 3.3973 3.7824 3.7824 3.9111 3.9111 3.9192 3.9192 3.9876 3.9876 5.1097 5.1097 5.8636 5.8636 7.5017 7.5017 7.9243 7.9243 8.9140 8.9140 9.8812 9.8812 9.9541 9.9541 k = 0.0188 0.7923-0.0000 ( 3862 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8604 -14.8604 -14.8562 -14.8562 -14.5050 -14.5050 -14.5013 -14.5013 -14.4478 -14.4478 -14.4407 -14.4407 2.7443 2.7443 2.7499 2.7499 2.8470 2.8470 2.9301 2.9301 3.2628 3.2628 3.3975 3.3975 3.7825 3.7825 3.9117 3.9117 3.9192 3.9192 3.9875 3.9875 5.1093 5.1093 5.8568 5.8568 7.5995 7.5995 7.8287 7.8287 8.9154 8.9154 9.8791 9.8791 9.9801 9.9801 k = 0.0000 0.7923-0.0000 ( 3864 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8604 -14.8604 -14.8562 -14.8562 -14.5050 -14.5050 -14.5013 -14.5013 -14.4478 -14.4478 -14.4407 -14.4407 2.7443 2.7443 2.7499 2.7499 2.8469 2.8469 2.9300 2.9300 3.2628 3.2628 3.3975 3.3975 3.7826 3.7826 3.9120 3.9120 3.9192 3.9192 3.9874 3.9874 5.1091 5.1091 5.8545 5.8545 7.6637 7.6637 7.7652 7.7652 8.9158 8.9158 9.8784 9.8784 9.9919 9.9919 k = 0.0000 0.7923-0.0000 ( 3864 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8604 -14.8604 -14.8562 -14.8562 -14.5050 -14.5050 -14.5013 -14.5013 -14.4478 -14.4478 -14.4407 -14.4407 2.7443 2.7443 2.7499 2.7499 2.8469 2.8469 2.9300 2.9300 3.2628 3.2628 3.3975 3.3975 3.7826 3.7826 3.9120 3.9120 3.9192 3.9192 3.9874 3.9874 5.1091 5.1091 5.8545 5.8545 7.6637 7.6637 7.7652 7.7652 8.9158 8.9158 9.8784 9.8784 9.9919 9.9919 k = 0.0000 0.7923 0.0193 ( 3868 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8604 -14.8604 -14.8562 -14.8562 -14.5056 -14.5056 -14.5007 -14.5007 -14.4481 -14.4481 -14.4405 -14.4405 2.7396 2.7396 2.7547 2.7547 2.8474 2.8474 2.9299 2.9299 3.2623 3.2623 3.3986 3.3986 3.7820 3.7820 3.9030 3.9030 3.9280 3.9280 3.9876 3.9876 5.1097 5.1097 5.8565 5.8565 7.6649 7.6649 7.7645 7.7645 8.9137 8.9137 9.8690 9.8690 9.9968 9.9968 k = 0.0000 0.7923 0.0385 ( 3872 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8605 -14.8605 -14.8562 -14.8562 -14.5069 -14.5069 -14.4993 -14.4993 -14.4489 -14.4489 -14.4398 -14.4398 2.7333 2.7333 2.7617 2.7617 2.8487 2.8487 2.9294 2.9294 3.2609 3.2609 3.4017 3.4017 3.7803 3.7803 3.8912 3.8912 3.9394 3.9394 3.9881 3.9881 5.1115 5.1115 5.8627 5.8627 7.6683 7.6683 7.7625 7.7625 8.9074 8.9074 9.8448 9.8448 10.0077 10.0077 k = 0.0000 0.7923 0.0578 ( 3880 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8606 -14.8606 -14.8562 -14.8562 -14.5083 -14.5083 -14.4977 -14.4977 -14.4501 -14.4501 -14.4390 -14.4390 2.7271 2.7271 2.7689 2.7689 2.8510 2.8510 2.9287 2.9287 3.2587 3.2587 3.4067 3.4067 3.7776 3.7776 3.8793 3.8793 3.9506 3.9506 3.9890 3.9890 5.1145 5.1145 5.8729 5.8729 7.6741 7.6741 7.7590 7.7590 8.8971 8.8971 9.8113 9.8113 10.0191 10.0191 k = 0.0000 0.7923 0.0771 ( 3876 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8607 -14.8607 -14.8562 -14.8562 -14.5097 -14.5097 -14.4960 -14.4960 -14.4514 -14.4514 -14.4381 -14.4381 2.7213 2.7213 2.7761 2.7761 2.8540 2.8540 2.9278 2.9278 3.2561 3.2561 3.4133 3.4133 3.7740 3.7740 3.8674 3.8674 3.9615 3.9615 3.9904 3.9904 5.1187 5.1187 5.8870 5.8870 7.6821 7.6821 7.7542 7.7542 8.8830 8.8830 9.7717 9.7717 10.0282 10.0282 k = 0.0000 0.7923 0.0963 ( 3870 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8608 -14.8608 -14.8562 -14.8562 -14.5110 -14.5110 -14.4943 -14.4943 -14.4529 -14.4529 -14.4372 -14.4372 2.7160 2.7160 2.7832 2.7832 2.8577 2.8577 2.9268 2.9268 3.2533 3.2533 3.4212 3.4212 3.7695 3.7695 3.8556 3.8556 3.9717 3.9717 3.9926 3.9926 5.1242 5.1242 5.9050 5.9050 7.6923 7.6923 7.7481 7.7481 8.8656 8.8656 9.7276 9.7276 10.0336 10.0336 k = 0.0000 0.7923 0.1156 ( 3868 PWs) bands (ev): -33.5853 -33.5853 -33.5846 -33.5846 -14.8610 -14.8610 -14.8562 -14.8562 -14.5123 -14.5123 -14.4925 -14.4925 -14.4544 -14.4544 -14.4363 -14.4363 2.7112 2.7112 2.7901 2.7901 2.8620 2.8620 2.9259 2.9259 3.2504 3.2504 3.4300 3.4300 3.7642 3.7642 3.8441 3.8441 3.9804 3.9804 3.9960 3.9960 5.1310 5.1310 5.9267 5.9267 7.7042 7.7042 7.7409 7.7409 8.8450 8.8450 9.6799 9.6799 10.0348 10.0348 k = 0.0000 0.7923 0.1349 ( 3864 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8612 -14.8612 -14.8562 -14.8562 -14.5135 -14.5135 -14.4907 -14.4907 -14.4560 -14.4560 -14.4355 -14.4355 2.7069 2.7069 2.7967 2.7967 2.8664 2.8664 2.9251 2.9251 3.2478 3.2478 3.4396 3.4396 3.7584 3.7584 3.8329 3.8329 3.9866 3.9866 4.0018 4.0018 5.1393 5.1393 5.9519 5.9519 7.7155 7.7155 7.7348 7.7348 8.8217 8.8217 9.6292 9.6292 10.0318 10.0318 k = 0.0000 0.7923 0.1541 ( 3866 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8614 -14.8614 -14.8562 -14.8562 -14.5147 -14.5147 -14.4889 -14.4889 -14.4577 -14.4577 -14.4347 -14.4347 2.7033 2.7033 2.8030 2.8030 2.8708 2.8708 2.9248 2.9248 3.2455 3.2455 3.4496 3.4496 3.7520 3.7520 3.8220 3.8220 3.9904 3.9904 4.0095 4.0095 5.1490 5.1490 5.9805 5.9805 7.7141 7.7141 7.7419 7.7419 8.7963 8.7963 9.5758 9.5758 10.0246 10.0246 k = 0.0000 0.7923 0.1734 ( 3868 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8616 -14.8616 -14.8563 -14.8563 -14.5158 -14.5158 -14.4872 -14.4872 -14.4594 -14.4594 -14.4340 -14.4340 2.7003 2.7003 2.8091 2.8091 2.8746 2.8746 2.9252 2.9252 3.2438 3.2438 3.4598 3.4598 3.7454 3.7454 3.8115 3.8115 3.9932 3.9932 4.0180 4.0180 5.1603 5.1603 6.0123 6.0123 7.7024 7.7024 7.7594 7.7594 8.7693 8.7693 9.5201 9.5201 10.0133 10.0133 k = 0.0000 0.7923 0.1927 ( 3872 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8618 -14.8618 -14.8563 -14.8563 -14.5168 -14.5168 -14.4854 -14.4854 -14.4611 -14.4611 -14.4334 -14.4334 2.6979 2.6979 2.8148 2.8148 2.8776 2.8776 2.9266 2.9266 3.2427 3.2427 3.4699 3.4699 3.7386 3.7386 3.8016 3.8016 3.9955 3.9955 4.0265 4.0265 5.1732 5.1732 6.0469 6.0469 7.6876 7.6876 7.7803 7.7803 8.7412 8.7412 9.4626 9.4626 9.9983 9.9983 k = 0.0000 0.7923 0.2119 ( 3870 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8620 -14.8620 -14.8564 -14.8564 -14.5177 -14.5177 -14.4838 -14.4838 -14.4628 -14.4628 -14.4328 -14.4328 2.6961 2.6961 2.8203 2.8203 2.8794 2.8794 2.9290 2.9290 3.2423 3.2423 3.4799 3.4799 3.7318 3.7318 3.7923 3.7923 3.9978 3.9978 4.0346 4.0346 5.1879 5.1879 6.0841 6.0841 7.6703 7.6703 7.8034 7.8034 8.7126 8.7126 9.4033 9.4033 9.9797 9.9797 k = 0.0000 0.7923 0.2312 ( 3872 PWs) bands (ev): -33.5852 -33.5852 -33.5846 -33.5846 -14.8622 -14.8622 -14.8565 -14.8565 -14.5185 -14.5185 -14.4822 -14.4822 -14.4644 -14.4644 -14.4324 -14.4324 2.6951 2.6951 2.8254 2.8254 2.8801 2.8801 2.9323 2.9323 3.2427 3.2427 3.4893 3.4893 3.7252 3.7252 3.7837 3.7837 3.9999 3.9999 4.0422 4.0422 5.2045 5.2045 6.1236 6.1236 7.6507 7.6507 7.8285 7.8285 8.6840 8.6840 9.3426 9.3426 9.9578 9.9578 k = 0.0000 0.7923 0.2505 ( 3878 PWs) bands (ev): -33.5851 -33.5851 -33.5846 -33.5846 -14.8624 -14.8624 -14.8566 -14.8566 -14.5192 -14.5192 -14.4809 -14.4809 -14.4659 -14.4659 -14.4320 -14.4320 2.6946 2.6946 2.8301 2.8301 2.8799 2.8799 2.9362 2.9362 3.2441 3.2441 3.4980 3.4980 3.7191 3.7191 3.7758 3.7758 4.0021 4.0021 4.0493 4.0493 5.2229 5.2229 6.1650 6.1650 7.6289 7.6289 7.8555 7.8555 8.6559 8.6559 9.2807 9.2807 9.9331 9.9331 k = 0.0000 0.7923 0.2697 ( 3872 PWs) bands (ev): -33.5851 -33.5851 -33.5845 -33.5845 -14.8626 -14.8626 -14.8568 -14.8568 -14.5198 -14.5198 -14.4798 -14.4798 -14.4670 -14.4670 -14.4317 -14.4317 2.6949 2.6949 2.8344 2.8344 2.8791 2.8791 2.9402 2.9402 3.2465 3.2465 3.5059 3.5059 3.7136 3.7136 3.7687 3.7687 4.0043 4.0043 4.0557 4.0557 5.2435 5.2435 6.2080 6.2080 7.6048 7.6048 7.8842 7.8842 8.6289 8.6289 9.2177 9.2177 9.9060 9.9060 k = 0.0000 0.7923 0.2890 ( 3872 PWs) bands (ev): -33.5851 -33.5851 -33.5845 -33.5845 -14.8628 -14.8628 -14.8569 -14.8569 -14.5203 -14.5203 -14.4793 -14.4793 -14.4677 -14.4677 -14.4314 -14.4314 2.6958 2.6958 2.8382 2.8382 2.8780 2.8780 2.9440 2.9440 3.2498 3.2498 3.5125 3.5125 3.7089 3.7089 3.7624 3.7624 4.0066 4.0066 4.0615 4.0615 5.2661 5.2661 6.2520 6.2520 7.5786 7.5786 7.9144 7.9144 8.6035 8.6035 9.1538 9.1538 9.8766 9.8766 k = 0.0000 0.7923 0.3082 ( 3872 PWs) bands (ev): -33.5850 -33.5850 -33.5845 -33.5845 -14.8630 -14.8630 -14.8571 -14.8571 -14.5207 -14.5207 -14.4794 -14.4794 -14.4677 -14.4677 -14.4313 -14.4313 2.6973 2.6973 2.8415 2.8415 2.8767 2.8767 2.9473 2.9473 3.2542 3.2542 3.5177 3.5177 3.7052 3.7052 3.7568 3.7568 4.0089 4.0089 4.0666 4.0666 5.2909 5.2909 6.2965 6.2965 7.5507 7.5507 7.9460 7.9460 8.5801 8.5801 9.0893 9.0893 9.8455 9.8455 k = 0.0000 0.7923 0.3275 ( 3872 PWs) bands (ev): -33.5850 -33.5850 -33.5845 -33.5845 -14.8631 -14.8631 -14.8573 -14.8573 -14.5210 -14.5210 -14.4802 -14.4802 -14.4671 -14.4671 -14.4312 -14.4312 2.6995 2.6995 2.8443 2.8443 2.8754 2.8754 2.9499 2.9499 3.2597 3.2597 3.5214 3.5214 3.7027 3.7027 3.7521 3.7521 4.0112 4.0112 4.0710 4.0710 5.3180 5.3180 6.3407 6.3407 7.5214 7.5214 7.9787 7.9787 8.5590 8.5590 9.0242 9.0242 9.8129 9.8129 k = 0.0000 0.7923 0.3468 ( 3870 PWs) bands (ev): -33.5850 -33.5850 -33.5845 -33.5845 -14.8633 -14.8633 -14.8576 -14.8576 -14.5212 -14.5212 -14.4814 -14.4814 -14.4661 -14.4661 -14.4313 -14.4313 2.7023 2.7023 2.8464 2.8464 2.8743 2.8743 2.9516 2.9516 3.2662 3.2662 3.5234 3.5234 3.7014 3.7014 3.7481 3.7481 4.0136 4.0136 4.0747 4.0747 5.3474 5.3474 6.3837 6.3837 7.4917 7.4917 8.0124 8.0124 8.5405 8.5405 8.9587 8.9587 9.7792 9.7792 k = 0.0000 0.7923 0.3660 ( 3866 PWs) bands (ev): -33.5850 -33.5850 -33.5845 -33.5845 -14.8634 -14.8634 -14.8578 -14.8578 -14.5212 -14.5212 -14.4830 -14.4830 -14.4647 -14.4647 -14.4314 -14.4314 2.7057 2.7057 2.8479 2.8479 2.8735 2.8735 2.9524 2.9524 3.2737 3.2737 3.5239 3.5239 3.7013 3.7013 3.7449 3.7449 4.0161 4.0161 4.0777 4.0777 5.3793 5.3793 6.4244 6.4244 7.4625 7.4625 8.0467 8.0467 8.5247 8.5247 8.8930 8.8930 9.7448 9.7448 k = 0.0000 0.7923 0.3853 ( 3868 PWs) bands (ev): -33.5849 -33.5849 -33.5845 -33.5845 -14.8635 -14.8635 -14.8581 -14.8581 -14.5212 -14.5212 -14.4847 -14.4847 -14.4632 -14.4632 -14.4316 -14.4316 2.7096 2.7096 2.8488 2.8488 2.8728 2.8728 2.9523 2.9523 3.2821 3.2821 3.5228 3.5228 3.7023 3.7023 3.7425 3.7425 4.0186 4.0186 4.0801 4.0801 5.4135 5.4135 6.4613 6.4613 7.4354 7.4354 8.0813 8.0813 8.5117 8.5117 8.8273 8.8273 9.7099 9.7099 k = 0.0000 0.7923 0.4046 ( 3866 PWs) bands (ev): -33.5849 -33.5849 -33.5845 -33.5845 -14.8636 -14.8636 -14.8584 -14.8584 -14.5210 -14.5210 -14.4865 -14.4865 -14.4617 -14.4617 -14.4319 -14.4319 2.7140 2.7140 2.8491 2.8491 2.8724 2.8724 2.9513 2.9513 3.2912 3.2912 3.5203 3.5203 3.7041 3.7041 3.7407 3.7407 4.0212 4.0212 4.0817 4.0817 5.4502 5.4502 6.4929 6.4929 7.4120 7.4120 8.1157 8.1157 8.5014 8.5014 8.7619 8.7619 9.6749 9.6749 k = 0.0000 0.7923 0.4238 ( 3864 PWs) bands (ev): -33.5849 -33.5849 -33.5845 -33.5845 -14.8636 -14.8636 -14.8587 -14.8587 -14.5208 -14.5208 -14.4884 -14.4884 -14.4601 -14.4601 -14.4322 -14.4322 2.7190 2.7190 2.8488 2.8488 2.8721 2.8721 2.9494 2.9494 3.3010 3.3010 3.5167 3.5167 3.7066 3.7066 3.7395 3.7395 4.0238 4.0238 4.0828 4.0828 5.4893 5.4893 6.5171 6.5171 7.3944 7.3944 8.1493 8.1493 8.4935 8.4935 8.6973 8.6973 9.6402 9.6402 k = 0.0000 0.7923 0.4431 ( 3868 PWs) bands (ev): -33.5848 -33.5848 -33.5845 -33.5845 -14.8637 -14.8637 -14.8590 -14.8590 -14.5204 -14.5204 -14.4903 -14.4903 -14.4584 -14.4584 -14.4327 -14.4327 2.7244 2.7244 2.8480 2.8480 2.8721 2.8721 2.9468 2.9468 3.3114 3.3114 3.5122 3.5122 3.7095 3.7095 3.7389 3.7389 4.0266 4.0266 4.0832 4.0832 5.5308 5.5308 6.5320 6.5320 7.3849 7.3849 8.1813 8.1813 8.4877 8.4877 8.6344 8.6344 9.6062 9.6062 k = 0.0000 0.7923 0.4624 ( 3874 PWs) bands (ev): -33.5848 -33.5848 -33.5845 -33.5845 -14.8637 -14.8637 -14.8593 -14.8593 -14.5199 -14.5199 -14.4922 -14.4922 -14.4568 -14.4568 -14.4332 -14.4332 2.7301 2.7301 2.8466 2.8466 2.8723 2.8723 2.9436 2.9436 3.3221 3.3221 3.5068 3.5068 3.7126 3.7126 3.7387 3.7387 4.0294 4.0294 4.0831 4.0831 5.5747 5.5747 6.5359 6.5359 7.3852 7.3852 8.2100 8.2100 8.4827 8.4827 8.5754 8.5754 9.5732 9.5732 k = 0.0000 0.7923 0.4816 ( 3870 PWs) bands (ev): -33.5848 -33.5848 -33.5845 -33.5845 -14.8637 -14.8637 -14.8596 -14.8596 -14.5193 -14.5193 -14.4941 -14.4941 -14.4552 -14.4552 -14.4338 -14.4338 2.7363 2.7363 2.8447 2.8447 2.8729 2.8729 2.9398 2.9398 3.3331 3.3331 3.5008 3.5008 3.7158 3.7158 3.7388 3.7388 4.0323 4.0323 4.0825 4.0825 5.6210 5.6210 6.5282 6.5282 7.3963 7.3963 8.2326 8.2326 8.4743 8.4743 8.5268 8.5268 9.5416 9.5416 k = 0.0000 0.7923 0.5009 ( 3870 PWs) bands (ev): -33.5848 -33.5848 -33.5845 -33.5845 -14.8636 -14.8636 -14.8599 -14.8599 -14.5186 -14.5186 -14.4960 -14.4960 -14.4536 -14.4536 -14.4344 -14.4344 2.7428 2.7428 2.8420 2.8420 2.8738 2.8738 2.9355 2.9355 3.3443 3.3443 3.4943 3.4943 3.7189 3.7189 3.7392 3.7392 4.0353 4.0353 4.0814 4.0814 5.6695 5.6695 6.5090 6.5090 7.4183 7.4183 8.2431 8.2431 8.4527 8.4527 8.5036 8.5036 9.5119 9.5119 k = 0.0000 0.7923 0.5202 ( 3872 PWs) bands (ev): -33.5847 -33.5847 -33.5845 -33.5845 -14.8636 -14.8636 -14.8603 -14.8603 -14.5178 -14.5178 -14.4979 -14.4979 -14.4521 -14.4521 -14.4352 -14.4352 2.7496 2.7496 2.8387 2.8387 2.8751 2.8751 2.9310 2.9310 3.3555 3.3555 3.4874 3.4874 3.7219 3.7219 3.7396 3.7396 4.0384 4.0384 4.0798 4.0798 5.7201 5.7201 6.4794 6.4794 7.4502 7.4502 8.2326 8.2326 8.4324 8.4324 8.4995 8.4995 9.4846 9.4846 k = 0.0000 0.7923 0.5394 ( 3870 PWs) bands (ev): -33.5847 -33.5847 -33.5845 -33.5845 -14.8634 -14.8634 -14.8606 -14.8606 -14.5169 -14.5169 -14.4997 -14.4997 -14.4506 -14.4506 -14.4360 -14.4360 2.7566 2.7566 2.8348 2.8348 2.8770 2.8770 2.9262 2.9262 3.3666 3.3666 3.4801 3.4801 3.7248 3.7248 3.7400 3.7400 4.0416 4.0416 4.0779 4.0779 5.7727 5.7727 6.4412 6.4412 7.4906 7.4906 8.1980 8.1980 8.4296 8.4296 8.5003 8.5003 9.4602 9.4602 k = 0.0000 0.7923 0.5587 ( 3862 PWs) bands (ev): -33.5847 -33.5847 -33.5845 -33.5845 -14.8633 -14.8633 -14.8609 -14.8609 -14.5159 -14.5159 -14.5015 -14.5015 -14.4491 -14.4491 -14.4369 -14.4369 2.7639 2.7639 2.8303 2.8303 2.8793 2.8793 2.9212 2.9212 3.3777 3.3777 3.4724 3.4724 3.7275 3.7275 3.7403 3.7403 4.0448 4.0448 4.0757 4.0757 5.8271 5.8271 6.3961 6.3961 7.5378 7.5378 8.1473 8.1473 8.4392 8.4392 8.5026 8.5026 9.4392 9.4392 k = 0.0000 0.7923 0.5780 ( 3864 PWs) bands (ev): -33.5847 -33.5847 -33.5845 -33.5845 -14.8632 -14.8632 -14.8612 -14.8612 -14.5148 -14.5148 -14.5032 -14.5032 -14.4476 -14.4476 -14.4379 -14.4379 2.7711 2.7711 2.8251 2.8251 2.8820 2.8820 2.9162 2.9162 3.3885 3.3885 3.4644 3.4644 3.7300 3.7300 3.7404 3.7404 4.0481 4.0481 4.0732 4.0732 5.8831 5.8831 6.3458 6.3458 7.5905 7.5905 8.0885 8.0885 8.4535 8.4535 8.5048 8.5048 9.4220 9.4220 k = 0.0000 0.7923 0.5972 ( 3862 PWs) bands (ev): -33.5846 -33.5846 -33.5845 -33.5845 -14.8630 -14.8630 -14.8615 -14.8615 -14.5136 -14.5136 -14.5049 -14.5049 -14.4462 -14.4462 -14.4389 -14.4389 2.7785 2.7785 2.8194 2.8194 2.8852 2.8852 2.9112 2.9112 3.3991 3.3991 3.4561 3.4561 3.7323 3.7323 3.7402 3.7402 4.0514 4.0514 4.0705 4.0705 5.9405 5.9405 6.2918 6.2918 7.6472 7.6472 8.0260 8.0260 8.4681 8.4681 8.5063 8.5063 9.4091 9.4091 k = 0.0000 0.7923 0.6165 ( 3860 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8628 -14.8628 -14.8618 -14.8618 -14.5123 -14.5123 -14.5065 -14.5065 -14.4448 -14.4448 -14.4399 -14.4399 2.7858 2.7858 2.8133 2.8133 2.8888 2.8888 2.9063 2.9063 3.4094 3.4094 3.4474 3.4474 3.7344 3.7344 3.7397 3.7397 4.0547 4.0547 4.0676 4.0676 5.9990 5.9990 6.2351 6.2351 7.7071 7.7071 7.9618 7.9618 8.4812 8.4812 8.5062 8.5062 9.4010 9.4010 k = 0.0000 0.7923 0.6358 ( 3858 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8625 -14.8625 -14.8621 -14.8621 -14.5110 -14.5110 -14.5081 -14.5081 -14.4435 -14.4435 -14.4411 -14.4411 2.7930 2.7930 2.8068 2.8068 2.8927 2.8927 2.9016 2.9016 3.4194 3.4194 3.4385 3.4385 3.7362 3.7362 3.7388 3.7388 4.0580 4.0580 4.0645 4.0645 6.0581 6.0581 6.1768 6.1768 7.7691 7.7691 7.8972 7.8972 8.4917 8.4917 8.5041 8.5041 9.3977 9.3977 k = 0.0000 0.7923 0.6550 ( 3856 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8623 -14.8623 -14.8623 -14.8623 -14.5096 -14.5096 -14.5096 -14.5096 -14.4423 -14.4423 -14.4423 -14.4423 2.8000 2.8000 2.8000 2.8000 2.8970 2.8970 2.8970 2.8970 3.4291 3.4291 3.4291 3.4291 3.7376 3.7376 3.7376 3.7376 4.0613 4.0613 4.0613 4.0613 6.1176 6.1176 6.1176 6.1176 7.8327 7.8327 7.8327 7.8327 8.4993 8.4993 8.4993 8.4993 9.3994 9.3994 k = 0.0000 0.7923 0.6550 ( 3856 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8623 -14.8623 -14.8623 -14.8623 -14.5096 -14.5096 -14.5096 -14.5096 -14.4423 -14.4423 -14.4423 -14.4423 2.8000 2.8000 2.8000 2.8000 2.8970 2.8970 2.8970 2.8970 3.4291 3.4291 3.4291 3.4291 3.7376 3.7376 3.7376 3.7376 4.0613 4.0613 4.0613 4.0613 6.1176 6.1176 6.1176 6.1176 7.8327 7.8327 7.8327 7.8327 8.4993 8.4993 8.4993 8.4993 9.3994 9.3994 k = 0.0188 0.7923 0.6550 ( 3860 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8624 -14.8624 -14.8622 -14.8622 -14.5103 -14.5103 -14.5088 -14.5088 -14.4430 -14.4430 -14.4416 -14.4416 2.7988 2.7988 2.8013 2.8013 2.8936 2.8936 2.9004 2.9004 3.4264 3.4264 3.4319 3.4319 3.7371 3.7371 3.7382 3.7382 4.0602 4.0602 4.0623 4.0623 6.1179 6.1179 6.1181 6.1181 7.8321 7.8321 7.8349 7.8349 8.4933 8.4933 8.4961 8.4961 9.4002 9.4002 k = 0.0375 0.7923 0.6550 ( 3860 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8625 -14.8625 -14.8622 -14.8622 -14.5110 -14.5110 -14.5081 -14.5081 -14.4436 -14.4436 -14.4410 -14.4410 2.7975 2.7975 2.8025 2.8025 2.8904 2.8904 2.9039 2.9039 3.4239 3.4239 3.4346 3.4346 3.7365 3.7365 3.7388 3.7388 4.0590 4.0590 4.0631 4.0631 6.1190 6.1190 6.1196 6.1196 7.8331 7.8331 7.8386 7.8386 8.4784 8.4784 8.4838 8.4838 9.4078 9.4078 k = 0.0563 0.7923 0.6550 ( 3856 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8625 -14.8625 -14.8621 -14.8621 -14.5117 -14.5117 -14.5073 -14.5073 -14.4443 -14.4443 -14.4403 -14.4403 2.7962 2.7962 2.8036 2.8036 2.8872 2.8872 2.9073 2.9073 3.4214 3.4214 3.4374 3.4374 3.7360 3.7360 3.7394 3.7394 4.0577 4.0577 4.0637 4.0637 6.1210 6.1210 6.1219 6.1219 7.8355 7.8355 7.8439 7.8439 8.4557 8.4557 8.4631 8.4631 9.4214 9.4214 k = 0.0751 0.7923 0.6550 ( 3856 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8626 -14.8626 -14.8620 -14.8620 -14.5124 -14.5124 -14.5065 -14.5065 -14.4449 -14.4449 -14.4396 -14.4396 2.7950 2.7950 2.8046 2.8046 2.8843 2.8843 2.9107 2.9107 3.4191 3.4191 3.4402 3.4402 3.7354 3.7354 3.7400 3.7400 4.0563 4.0563 4.0642 4.0642 6.1238 6.1238 6.1249 6.1249 7.8392 7.8392 7.8507 7.8507 8.4264 8.4264 8.4351 8.4351 9.4401 9.4401 k = 0.0939 0.7923 0.6550 ( 3862 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8627 -14.8627 -14.8619 -14.8619 -14.5131 -14.5131 -14.5058 -14.5058 -14.4456 -14.4456 -14.4390 -14.4390 2.7938 2.7938 2.8056 2.8056 2.8815 2.8815 2.9139 2.9139 3.4169 3.4169 3.4428 3.4428 3.7350 3.7350 3.7405 3.7405 4.0548 4.0548 4.0645 4.0645 6.1272 6.1272 6.1287 6.1287 7.8442 7.8442 7.8589 7.8589 8.3921 8.3921 8.4012 8.4012 9.4626 9.4626 k = 0.1126 0.7923 0.6550 ( 3858 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8627 -14.8627 -14.8618 -14.8618 -14.5138 -14.5138 -14.5050 -14.5050 -14.4462 -14.4462 -14.4384 -14.4384 2.7927 2.7927 2.8064 2.8064 2.8791 2.8791 2.9170 2.9170 3.4149 3.4149 3.4454 3.4454 3.7345 3.7345 3.7411 3.7411 4.0532 4.0532 4.0647 4.0647 6.1312 6.1312 6.1330 6.1330 7.8503 7.8503 7.8685 7.8685 8.3542 8.3542 8.3629 8.3629 9.4877 9.4877 k = 0.1314 0.7923 0.6550 ( 3856 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8628 -14.8628 -14.8617 -14.8617 -14.5144 -14.5144 -14.5043 -14.5043 -14.4469 -14.4469 -14.4378 -14.4378 2.7917 2.7917 2.8072 2.8072 2.8769 2.8769 2.9198 2.9198 3.4131 3.4131 3.4478 3.4478 3.7342 3.7342 3.7416 3.7416 4.0516 4.0516 4.0646 4.0646 6.1355 6.1355 6.1377 6.1377 7.8571 7.8571 7.8792 7.8792 8.3141 8.3141 8.3216 8.3216 9.5143 9.5143 k = 0.1502 0.7923 0.6550 ( 3862 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8628 -14.8628 -14.8616 -14.8616 -14.5150 -14.5150 -14.5035 -14.5035 -14.4475 -14.4475 -14.4372 -14.4372 2.7907 2.7907 2.8078 2.8078 2.8749 2.8749 2.9225 2.9225 3.4115 3.4115 3.4501 3.4501 3.7338 3.7338 3.7420 3.7420 4.0499 4.0499 4.0643 4.0643 6.1401 6.1401 6.1426 6.1426 7.8643 7.8643 7.8908 7.8908 8.2734 8.2734 8.2788 8.2788 9.5413 9.5413 k = 0.1689 0.7923 0.6550 ( 3862 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8629 -14.8629 -14.8615 -14.8615 -14.5156 -14.5156 -14.5028 -14.5028 -14.4481 -14.4481 -14.4367 -14.4367 2.7899 2.7899 2.8083 2.8083 2.8733 2.8733 2.9248 2.9248 3.4101 3.4101 3.4522 3.4522 3.7335 3.7335 3.7425 3.7425 4.0482 4.0482 4.0639 4.0639 6.1446 6.1446 6.1476 6.1476 7.8712 7.8712 7.9028 7.9028 8.2337 8.2337 8.2359 8.2359 9.5681 9.5681 k = 0.1877 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8629 -14.8629 -14.8614 -14.8614 -14.5161 -14.5161 -14.5021 -14.5021 -14.4486 -14.4486 -14.4361 -14.4361 2.7892 2.7892 2.8087 2.8087 2.8720 2.8720 2.9269 2.9269 3.4090 3.4090 3.4540 3.4540 3.7333 3.7333 3.7428 3.7428 4.0465 4.0465 4.0632 4.0632 6.1489 6.1489 6.1524 6.1524 7.8769 7.8769 7.9143 7.9143 8.1946 8.1946 8.1967 8.1967 9.5937 9.5937 k = 0.2065 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8630 -14.8630 -14.8613 -14.8613 -14.5166 -14.5166 -14.5014 -14.5014 -14.4492 -14.4492 -14.4356 -14.4356 2.7887 2.7887 2.8090 2.8090 2.8710 2.8710 2.9287 2.9287 3.4080 3.4080 3.4557 3.4557 3.7331 3.7331 3.7431 3.7431 4.0448 4.0448 4.0624 4.0624 6.1527 6.1527 6.1566 6.1566 7.8801 7.8801 7.9240 7.9240 8.1574 8.1574 8.1646 8.1646 9.6178 9.6178 k = 0.2253 0.7923 0.6550 ( 3866 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8612 -14.8612 -14.5171 -14.5171 -14.5007 -14.5007 -14.4497 -14.4497 -14.4352 -14.4352 2.7884 2.7884 2.8093 2.8093 2.8703 2.8703 2.9302 2.9302 3.4074 3.4074 3.4570 3.4570 3.7330 3.7330 3.7435 3.7435 4.0431 4.0431 4.0614 4.0614 6.1556 6.1556 6.1600 6.1600 7.8791 7.8791 7.9293 7.9293 8.1274 8.1274 8.1397 8.1397 9.6398 9.6398 k = 0.2440 0.7923 0.6550 ( 3868 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8611 -14.8611 -14.5175 -14.5175 -14.5001 -14.5001 -14.4502 -14.4502 -14.4347 -14.4347 2.7881 2.7881 2.8094 2.8094 2.8700 2.8700 2.9314 2.9314 3.4069 3.4069 3.4581 3.4581 3.7330 3.7330 3.7437 3.7437 4.0414 4.0414 4.0602 4.0602 6.1573 6.1573 6.1622 6.1622 7.8727 7.8727 7.9270 7.9270 8.1087 8.1087 8.1240 8.1240 9.6594 9.6594 k = 0.2628 0.7923 0.6550 ( 3868 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8610 -14.8610 -14.5179 -14.5179 -14.4995 -14.4995 -14.4506 -14.4506 -14.4343 -14.4343 2.7880 2.7880 2.8095 2.8095 2.8699 2.8699 2.9323 2.9323 3.4066 3.4066 3.4589 3.4589 3.7331 3.7331 3.7439 3.7439 4.0397 4.0397 4.0588 4.0588 6.1574 6.1574 6.1629 6.1629 7.8608 7.8608 7.9153 7.9153 8.1036 8.1036 8.1182 8.1182 9.6762 9.6762 k = 0.2816 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8609 -14.8609 -14.5182 -14.5182 -14.4989 -14.4989 -14.4510 -14.4510 -14.4339 -14.4339 2.7881 2.7881 2.8095 2.8095 2.8702 2.8702 2.9328 2.9328 3.4066 3.4066 3.4594 3.4594 3.7332 3.7332 3.7441 3.7441 4.0380 4.0380 4.0572 4.0572 6.1556 6.1556 6.1617 6.1617 7.8448 7.8448 7.8963 7.8963 8.1107 8.1107 8.1216 8.1216 9.6901 9.6901 k = 0.2816 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8609 -14.8609 -14.5182 -14.5182 -14.4989 -14.4989 -14.4510 -14.4510 -14.4339 -14.4339 2.7881 2.7881 2.8095 2.8095 2.8702 2.8702 2.9328 2.9328 3.4066 3.4066 3.4594 3.4594 3.7332 3.7332 3.7441 3.7441 4.0380 4.0380 4.0572 4.0572 6.1556 6.1556 6.1617 6.1617 7.8448 7.8448 7.8963 7.8963 8.1107 8.1107 8.1216 8.1216 9.6901 9.6901 k = 0.2752 0.7743 0.6550 ( 3866 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8612 -14.8612 -14.5172 -14.5172 -14.5006 -14.5006 -14.4498 -14.4498 -14.4351 -14.4351 2.7877 2.7877 2.8095 2.8095 2.8691 2.8691 2.9318 2.9318 3.4064 3.4064 3.4584 3.4584 3.7328 3.7328 3.7437 3.7437 4.0426 4.0426 4.0618 4.0618 6.1611 6.1611 6.1654 6.1654 7.8925 7.8925 7.9581 7.9581 8.0809 8.0809 8.1079 8.1079 9.6538 9.6538 k = 0.2688 0.7563 0.6550 ( 3870 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8629 -14.8629 -14.8616 -14.8616 -14.5161 -14.5161 -14.5023 -14.5023 -14.4486 -14.4486 -14.4362 -14.4362 2.7873 2.7873 2.8095 2.8095 2.8685 2.8685 2.9311 2.9311 3.4059 3.4059 3.4573 3.4573 3.7327 3.7327 3.7433 3.7433 4.0461 4.0461 4.0655 4.0655 6.1598 6.1598 6.1621 6.1621 7.9281 7.9281 8.0053 8.0053 8.0737 8.0737 8.1145 8.1145 9.6198 9.6198 k = 0.2624 0.7383 0.6550 ( 3886 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8628 -14.8628 -14.8619 -14.8619 -14.5149 -14.5149 -14.5040 -14.5040 -14.4474 -14.4474 -14.4375 -14.4375 2.7870 2.7870 2.8094 2.8094 2.8682 2.8682 2.9306 2.9306 3.4053 3.4053 3.4561 3.4561 3.7327 3.7327 3.7430 3.7430 4.0487 4.0487 4.0683 4.0683 6.1511 6.1511 6.1514 6.1514 7.9516 7.9516 8.0169 8.0169 8.1100 8.1100 8.1410 8.1410 9.5882 9.5882 k = 0.2560 0.7203 0.6550 ( 3882 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8626 -14.8626 -14.8621 -14.8621 -14.5135 -14.5135 -14.5055 -14.5055 -14.4461 -14.4461 -14.4387 -14.4387 2.7867 2.7867 2.8093 2.8093 2.8685 2.8685 2.9306 2.9306 3.4046 3.4046 3.4549 3.4549 3.7330 3.7330 3.7428 3.7428 4.0503 4.0503 4.0701 4.0701 6.1331 6.1331 6.1350 6.1350 7.9700 7.9700 8.0182 8.0182 8.1645 8.1645 8.1808 8.1808 9.5589 9.5589 k = 0.2496 0.7022 0.6550 ( 3886 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8624 -14.8624 -14.8624 -14.8624 -14.5121 -14.5121 -14.5070 -14.5070 -14.4449 -14.4449 -14.4399 -14.4399 2.7865 2.7865 2.8090 2.8090 2.8692 2.8692 2.9308 2.9308 3.4038 3.4038 3.4535 3.4535 3.7336 3.7336 3.7428 3.7428 4.0509 4.0509 4.0710 4.0710 6.1076 6.1076 6.1116 6.1116 7.9898 7.9898 8.0257 8.0257 8.2203 8.2203 8.2263 8.2263 9.5318 9.5318 k = 0.2432 0.6842 0.6550 ( 3878 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8625 -14.8625 -14.8621 -14.8621 -14.5106 -14.5106 -14.5084 -14.5084 -14.4437 -14.4437 -14.4411 -14.4411 2.7864 2.7864 2.8088 2.8088 2.8704 2.8704 2.9313 2.9313 3.4028 3.4028 3.4522 3.4522 3.7344 3.7344 3.7429 3.7429 4.0505 4.0505 4.0709 4.0709 6.0753 6.0753 6.0813 6.0813 8.0149 8.0149 8.0418 8.0418 8.2734 8.2734 8.2744 8.2744 9.5067 9.5067 k = 0.2368 0.6662 0.6550 ( 3878 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8626 -14.8626 -14.8618 -14.8618 -14.5097 -14.5097 -14.5090 -14.5090 -14.4425 -14.4425 -14.4423 -14.4423 2.7864 2.7864 2.8084 2.8084 2.8721 2.8721 2.9321 2.9321 3.4017 3.4017 3.4508 3.4508 3.7354 3.7354 3.7431 3.7431 4.0491 4.0491 4.0698 4.0698 6.0369 6.0369 6.0448 6.0448 8.0464 8.0464 8.0664 8.0664 8.3197 8.3197 8.3258 8.3258 9.4836 9.4836 k = 0.2304 0.6482 0.6550 ( 3878 PWs) bands (ev): -33.5846 -33.5846 -33.5846 -33.5846 -14.8626 -14.8626 -14.8614 -14.8614 -14.5108 -14.5108 -14.5074 -14.5074 -14.4436 -14.4436 -14.4414 -14.4414 2.7864 2.7864 2.8079 2.8079 2.8742 2.8742 2.9332 2.9332 3.4005 3.4005 3.4493 3.4493 3.7366 3.7366 3.7435 3.7435 4.0467 4.0467 4.0677 4.0677 5.9931 5.9931 6.0028 6.0028 8.0845 8.0845 8.0989 8.0989 8.3640 8.3640 8.3740 8.3740 9.4623 9.4623 k = 0.2240 0.6302 0.6550 ( 3878 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8626 -14.8626 -14.8610 -14.8610 -14.5119 -14.5119 -14.5056 -14.5056 -14.4449 -14.4449 -14.4402 -14.4402 2.7864 2.7864 2.8074 2.8074 2.8767 2.8767 2.9345 2.9345 3.3992 3.3992 3.4478 3.4478 3.7381 3.7381 3.7439 3.7439 4.0433 4.0433 4.0647 4.0647 5.9449 5.9449 5.9563 5.9563 8.1288 8.1288 8.1385 8.1385 8.4057 8.4057 8.4188 8.4188 9.4426 9.4426 k = 0.2176 0.6122 0.6550 ( 3886 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8626 -14.8626 -14.8605 -14.8605 -14.5130 -14.5130 -14.5038 -14.5038 -14.4462 -14.4462 -14.4391 -14.4391 2.7865 2.7865 2.8068 2.8068 2.8796 2.8796 2.9361 2.9361 3.3978 3.3978 3.4462 3.4462 3.7397 3.7397 3.7445 3.7445 4.0389 4.0389 4.0607 4.0607 5.8931 5.8931 5.9060 5.9060 8.1785 8.1785 8.1843 8.1843 8.4445 8.4445 8.4602 8.4602 9.4243 9.4243 k = 0.2112 0.5942 0.6550 ( 3878 PWs) bands (ev): -33.5848 -33.5848 -33.5848 -33.5848 -14.8625 -14.8625 -14.8600 -14.8600 -14.5138 -14.5138 -14.5019 -14.5019 -14.4474 -14.4474 -14.4380 -14.4380 2.7866 2.7866 2.8061 2.8061 2.8830 2.8830 2.9380 2.9380 3.3963 3.3963 3.4445 3.4445 3.7416 3.7416 3.7453 3.7453 4.0337 4.0337 4.0558 4.0558 5.8386 5.8386 5.8528 5.8528 8.2329 8.2329 8.2352 8.2352 8.4800 8.4800 8.4980 8.4980 9.4073 9.4073 k = 0.2048 0.5762 0.6550 ( 3878 PWs) bands (ev): -33.5848 -33.5848 -33.5848 -33.5848 -14.8623 -14.8623 -14.8595 -14.8595 -14.5146 -14.5146 -14.5000 -14.5000 -14.4487 -14.4487 -14.4369 -14.4369 2.7868 2.7868 2.8054 2.8054 2.8868 2.8868 2.9401 2.9401 3.3946 3.3946 3.4428 3.4428 3.7437 3.7437 3.7461 3.7461 4.0275 4.0275 4.0499 4.0499 5.7822 5.7822 5.7976 5.7976 8.2903 8.2903 8.2911 8.2911 8.5124 8.5124 8.5325 8.5325 9.3912 9.3912 k = 0.1984 0.5582 0.6550 ( 3878 PWs) bands (ev): -33.5849 -33.5849 -33.5849 -33.5849 -14.8621 -14.8621 -14.8589 -14.8589 -14.5153 -14.5153 -14.4980 -14.4980 -14.4499 -14.4499 -14.4358 -14.4358 2.7869 2.7869 2.8045 2.8045 2.8909 2.8909 2.9425 2.9425 3.3930 3.3930 3.4410 3.4410 3.7460 3.7460 3.7469 3.7469 4.0204 4.0204 4.0432 4.0432 5.7244 5.7244 5.7409 5.7409 8.3484 8.3484 8.3522 8.3522 8.5417 8.5417 8.5640 8.5640 9.3760 9.3760 k = 0.1920 0.5402 0.6550 ( 3870 PWs) bands (ev): -33.5849 -33.5849 -33.5849 -33.5849 -14.8619 -14.8619 -14.8583 -14.8583 -14.5159 -14.5159 -14.4959 -14.4959 -14.4512 -14.4512 -14.4348 -14.4348 2.7871 2.7871 2.8036 2.8036 2.8954 2.8954 2.9451 2.9451 3.3913 3.3913 3.4392 3.4392 3.7479 3.7479 3.7484 3.7484 4.0126 4.0126 4.0357 4.0357 5.6660 5.6660 5.6835 5.6835 8.4084 8.4084 8.4150 8.4150 8.5684 8.5684 8.5930 8.5930 9.3615 9.3615 k = 0.1856 0.5222 0.6550 ( 3866 PWs) bands (ev): -33.5850 -33.5850 -33.5850 -33.5850 -14.8616 -14.8616 -14.8577 -14.8577 -14.5164 -14.5164 -14.4938 -14.4938 -14.4525 -14.4525 -14.4338 -14.4338 2.7872 2.7872 2.8027 2.8027 2.9002 2.9002 2.9479 2.9479 3.3895 3.3895 3.4372 3.4372 3.7488 3.7488 3.7509 3.7509 4.0040 4.0040 4.0274 4.0274 5.6074 5.6074 5.6258 5.6258 8.4683 8.4683 8.4780 8.4780 8.5935 8.5935 8.6208 8.6208 9.3476 9.3476 k = 0.1792 0.5042 0.6550 ( 3866 PWs) bands (ev): -33.5851 -33.5851 -33.5851 -33.5851 -14.8612 -14.8612 -14.8571 -14.8571 -14.5167 -14.5167 -14.4917 -14.4917 -14.4537 -14.4537 -14.4328 -14.4328 2.7872 2.7872 2.8016 2.8016 2.9052 2.9052 2.9509 2.9509 3.3877 3.3877 3.4353 3.4353 3.7498 3.7498 3.7535 3.7535 3.9947 3.9947 4.0182 4.0182 5.5491 5.5491 5.5684 5.5684 8.5254 8.5254 8.5377 8.5377 8.6196 8.6196 8.6496 8.6496 9.3343 9.3343 k = 0.1728 0.4862 0.6550 ( 3870 PWs) bands (ev): -33.5852 -33.5852 -33.5852 -33.5852 -14.8609 -14.8609 -14.8565 -14.8565 -14.5170 -14.5170 -14.4895 -14.4895 -14.4550 -14.4550 -14.4319 -14.4319 2.7872 2.7872 2.8005 2.8005 2.9105 2.9105 2.9541 2.9541 3.3859 3.3859 3.4332 3.4332 3.7507 3.7507 3.7562 3.7562 3.9849 3.9849 4.0084 4.0084 5.4915 5.4915 5.5116 5.5116 8.5745 8.5745 8.5858 8.5858 8.6548 8.6548 8.6840 8.6840 9.3218 9.3218 k = 0.1664 0.4682 0.6550 ( 3874 PWs) bands (ev): -33.5853 -33.5853 -33.5853 -33.5853 -14.8605 -14.8605 -14.8559 -14.8559 -14.5172 -14.5172 -14.4872 -14.4872 -14.4563 -14.4563 -14.4310 -14.4310 2.7871 2.7871 2.7993 2.7993 2.9160 2.9160 2.9574 2.9574 3.3841 3.3841 3.4312 3.4312 3.7514 3.7514 3.7589 3.7589 3.9745 3.9745 3.9980 3.9980 5.4349 5.4349 5.4557 5.4557 8.6107 8.6107 8.6146 8.6146 8.7057 8.7057 8.7285 8.7285 9.3105 9.3105 k = 0.1600 0.4502 0.6550 ( 3866 PWs) bands (ev): -33.5854 -33.5854 -33.5854 -33.5854 -14.8600 -14.8600 -14.8552 -14.8552 -14.5172 -14.5172 -14.4849 -14.4849 -14.4576 -14.4576 -14.4301 -14.4301 2.7870 2.7870 2.7981 2.7981 2.9218 2.9218 2.9610 2.9610 3.3823 3.3823 3.4291 3.4291 3.7519 3.7519 3.7615 3.7615 3.9639 3.9639 3.9870 3.9870 5.3797 5.3797 5.4012 5.4012 8.6316 8.6316 8.6345 8.6345 8.7643 8.7643 8.7816 8.7816 9.3009 9.3009 k = 0.1536 0.4322 0.6550 ( 3868 PWs) bands (ev): -33.5855 -33.5855 -33.5855 -33.5855 -14.8596 -14.8596 -14.8546 -14.8546 -14.5172 -14.5172 -14.4826 -14.4826 -14.4589 -14.4589 -14.4294 -14.4294 2.7868 2.7868 2.7968 2.7968 2.9277 2.9277 2.9646 2.9646 3.3806 3.3806 3.4270 3.4270 3.7521 3.7521 3.7640 3.7640 3.9530 3.9530 3.9756 3.9756 5.3260 5.3260 5.3480 5.3480 8.6429 8.6429 8.6502 8.6502 8.8231 8.8231 8.8381 8.8381 9.2939 9.2939 k = 0.1472 0.4141 0.6550 ( 3866 PWs) bands (ev): -33.5856 -33.5856 -33.5855 -33.5855 -14.8591 -14.8591 -14.8540 -14.8540 -14.5170 -14.5170 -14.4803 -14.4803 -14.4601 -14.4601 -14.4286 -14.4286 2.7865 2.7865 2.7955 2.7955 2.9336 2.9336 2.9683 2.9683 3.3789 3.3789 3.4249 3.4249 3.7519 3.7519 3.7662 3.7662 3.9421 3.9421 3.9639 3.9639 5.2740 5.2740 5.2966 5.2966 8.6509 8.6509 8.6608 8.6608 8.8785 8.8785 8.8935 8.8935 9.2909 9.2909 k = 0.1408 0.3961 0.6550 ( 3866 PWs) bands (ev): -33.5857 -33.5857 -33.5857 -33.5857 -14.8586 -14.8586 -14.8534 -14.8534 -14.5167 -14.5167 -14.4780 -14.4780 -14.4614 -14.4614 -14.4280 -14.4280 2.7861 2.7861 2.7941 2.7941 2.9396 2.9396 2.9720 2.9720 3.3774 3.3774 3.4228 3.4228 3.7511 3.7511 3.7681 3.7681 3.9314 3.9314 3.9520 3.9520 5.2240 5.2240 5.2470 5.2470 8.6562 8.6562 8.6679 8.6679 8.9279 8.9279 8.9442 8.9442 9.2938 9.2938 k = 0.1344 0.3781 0.6550 ( 3866 PWs) bands (ev): -33.5858 -33.5858 -33.5858 -33.5858 -14.8581 -14.8581 -14.8528 -14.8528 -14.5164 -14.5164 -14.4756 -14.4756 -14.4627 -14.4627 -14.4274 -14.4274 2.7856 2.7856 2.7927 2.7927 2.9457 2.9457 2.9758 2.9758 3.3760 3.3760 3.4208 3.4208 3.7496 3.7496 3.7695 3.7695 3.9211 3.9211 3.9402 3.9402 5.1761 5.1761 5.1994 5.1994 8.6593 8.6593 8.6722 8.6722 8.9691 8.9691 8.9871 8.9871 9.3051 9.3051 k = 0.1280 0.3601 0.6550 ( 3860 PWs) bands (ev): -33.5859 -33.5859 -33.5859 -33.5859 -14.8575 -14.8575 -14.8522 -14.8522 -14.5159 -14.5159 -14.4733 -14.4733 -14.4640 -14.4640 -14.4268 -14.4268 2.7851 2.7851 2.7912 2.7912 2.9517 2.9517 2.9796 2.9796 3.3748 3.3748 3.4188 3.4188 3.7472 3.7472 3.7703 3.7703 3.9114 3.9114 3.9287 3.9287 5.1303 5.1303 5.1539 5.1539 8.6605 8.6605 8.6742 8.6742 9.0008 9.0008 9.0199 9.0199 9.3268 9.3268 k = 0.1216 0.3421 0.6550 ( 3868 PWs) bands (ev): -33.5860 -33.5860 -33.5860 -33.5860 -14.8570 -14.8570 -14.8517 -14.8517 -14.5153 -14.5153 -14.4711 -14.4711 -14.4652 -14.4652 -14.4263 -14.4263 2.7844 2.7844 2.7897 2.7897 2.9577 2.9577 2.9832 2.9832 3.3738 3.3738 3.4168 3.4168 3.7438 3.7438 3.7701 3.7701 3.9026 3.9026 3.9177 3.9177 5.0868 5.0868 5.1105 5.1105 8.6598 8.6598 8.6741 8.6741 9.0230 9.0230 9.0419 9.0419 9.3591 9.3591 k = 0.1152 0.3241 0.6550 ( 3872 PWs) bands (ev): -33.5861 -33.5861 -33.5861 -33.5861 -14.8565 -14.8565 -14.8512 -14.8512 -14.5147 -14.5147 -14.4691 -14.4691 -14.4662 -14.4662 -14.4259 -14.4259 2.7837 2.7837 2.7882 2.7882 2.9635 2.9635 2.9869 2.9869 3.3729 3.3729 3.4149 3.4149 3.7393 3.7393 3.7688 3.7688 3.8949 3.8949 3.9075 3.9075 5.0456 5.0456 5.0693 5.0693 8.6575 8.6575 8.6722 8.6722 9.0374 9.0374 9.0551 9.0551 9.3999 9.3999 k = 0.1088 0.3061 0.6550 ( 3866 PWs) bands (ev): -33.5862 -33.5862 -33.5862 -33.5862 -14.8559 -14.8559 -14.8507 -14.8507 -14.5139 -14.5139 -14.4686 -14.4686 -14.4656 -14.4656 -14.4256 -14.4256 2.7829 2.7829 2.7868 2.7868 2.9693 2.9693 2.9904 2.9904 3.3723 3.3723 3.4132 3.4132 3.7336 3.7336 3.7662 3.7662 3.8884 3.8884 3.8986 3.8986 5.0067 5.0067 5.0304 5.0304 8.6537 8.6537 8.6685 8.6685 9.0462 9.0462 9.0621 9.0621 9.4465 9.4465 k = 0.1024 0.2881 0.6550 ( 3866 PWs) bands (ev): -33.5863 -33.5863 -33.5863 -33.5863 -14.8554 -14.8554 -14.8502 -14.8502 -14.5131 -14.5131 -14.4697 -14.4697 -14.4635 -14.4635 -14.4253 -14.4253 2.7820 2.7820 2.7853 2.7853 2.9748 2.9748 2.9938 2.9938 3.3720 3.3720 3.4116 3.4116 3.7267 3.7267 3.7619 3.7619 3.8832 3.8832 3.8910 3.8910 4.9703 4.9703 4.9937 4.9937 8.6487 8.6487 8.6634 8.6634 9.0515 9.0515 9.0654 9.0654 9.4960 9.4960 k = 0.0960 0.2701 0.6550 ( 3862 PWs) bands (ev): -33.5864 -33.5864 -33.5864 -33.5864 -14.8548 -14.8548 -14.8498 -14.8498 -14.5122 -14.5122 -14.4709 -14.4709 -14.4613 -14.4613 -14.4251 -14.4251 2.7812 2.7812 2.7838 2.7838 2.9801 2.9801 2.9970 2.9970 3.3719 3.3719 3.4101 3.4101 3.7188 3.7188 3.7561 3.7561 3.8792 3.8792 3.8851 3.8851 4.9363 4.9363 4.9593 4.9593 8.6426 8.6426 8.6571 8.6571 9.0547 9.0547 9.0668 9.0668 9.5466 9.5466 k = 0.0896 0.2521 0.6550 ( 3866 PWs) bands (ev): -33.5865 -33.5865 -33.5865 -33.5865 -14.8543 -14.8543 -14.8494 -14.8494 -14.5112 -14.5112 -14.4722 -14.4722 -14.4591 -14.4591 -14.4250 -14.4250 2.7802 2.7802 2.7824 2.7824 2.9850 2.9850 3.0000 3.0000 3.3721 3.3721 3.4088 3.4088 3.7101 3.7101 3.7486 3.7486 3.8764 3.8764 3.8807 3.8807 4.9047 4.9047 4.9271 4.9271 8.6356 8.6356 8.6497 8.6497 9.0568 9.0568 9.0672 9.0672 9.5968 9.5968 k = 0.0832 0.2341 0.6550 ( 3858 PWs) bands (ev): -33.5866 -33.5866 -33.5866 -33.5866 -14.8537 -14.8537 -14.8491 -14.8491 -14.5101 -14.5101 -14.4736 -14.4736 -14.4568 -14.4568 -14.4249 -14.4249 2.7793 2.7793 2.7811 2.7811 2.9898 2.9898 3.0028 3.0028 3.3727 3.3727 3.4076 3.4076 3.7008 3.7008 3.7398 3.7398 3.8746 3.8746 3.8778 3.8778 4.8755 4.8755 4.8972 4.8972 8.6279 8.6279 8.6415 8.6415 9.0584 9.0584 9.0675 9.0675 9.6459 9.6459 k = 0.0768 0.2161 0.6550 ( 3850 PWs) bands (ev): -33.5866 -33.5866 -33.5866 -33.5866 -14.8532 -14.8532 -14.8488 -14.8488 -14.5090 -14.5090 -14.4749 -14.4749 -14.4546 -14.4546 -14.4250 -14.4250 2.7784 2.7784 2.7798 2.7798 2.9941 2.9941 3.0054 3.0054 3.3735 3.3735 3.4067 3.4067 3.6912 3.6912 3.7300 3.7300 3.8736 3.8736 3.8760 3.8760 4.8487 4.8487 4.8695 4.8695 8.6199 8.6199 8.6328 8.6328 9.0599 9.0599 9.0678 9.0678 9.6930 9.6930 k = 0.0704 0.1981 0.6550 ( 3854 PWs) bands (ev): -33.5867 -33.5867 -33.5867 -33.5867 -14.8527 -14.8527 -14.8485 -14.8485 -14.5078 -14.5078 -14.4763 -14.4763 -14.4524 -14.4524 -14.4251 -14.4251 2.7774 2.7774 2.7785 2.7785 2.9981 2.9981 3.0077 3.0077 3.3746 3.3746 3.4058 3.4058 3.6816 3.6816 3.7194 3.7194 3.8732 3.8732 3.8752 3.8752 4.8242 4.8242 4.8440 4.8440 8.6117 8.6117 8.6238 8.6238 9.0615 9.0615 9.0684 9.0684 9.7377 9.7377 k = 0.0640 0.1801 0.6550 ( 3854 PWs) bands (ev): -33.5868 -33.5868 -33.5868 -33.5868 -14.8522 -14.8522 -14.8483 -14.8483 -14.5066 -14.5066 -14.4777 -14.4777 -14.4503 -14.4503 -14.4254 -14.4254 2.7765 2.7765 2.7773 2.7773 3.0017 3.0017 3.0098 3.0098 3.3759 3.3759 3.4051 3.4051 3.6721 3.6721 3.7085 3.7085 3.8734 3.8734 3.8751 3.8751 4.8021 4.8021 4.8207 4.8207 8.6035 8.6035 8.6147 8.6147 9.0632 9.0632 9.0692 9.0692 9.7798 9.7798 k = 0.0576 0.1621 0.6550 ( 3854 PWs) bands (ev): -33.5869 -33.5869 -33.5869 -33.5869 -14.8517 -14.8517 -14.8482 -14.8482 -14.5053 -14.5053 -14.4791 -14.4791 -14.4483 -14.4483 -14.4257 -14.4257 2.7756 2.7756 2.7762 2.7762 3.0049 3.0049 3.0117 3.0117 3.3776 3.3776 3.4045 3.4045 3.6632 3.6632 3.6976 3.6976 3.8739 3.8739 3.8755 3.8755 4.7823 4.7823 4.7996 4.7996 8.5956 8.5956 8.6059 8.6059 9.0651 9.0651 9.0702 9.0702 9.8187 9.8187 k = 0.0512 0.1441 0.6550 ( 3850 PWs) bands (ev): -33.5870 -33.5870 -33.5869 -33.5869 -14.8513 -14.8513 -14.8481 -14.8481 -14.5039 -14.5039 -14.4806 -14.4806 -14.4463 -14.4463 -14.4262 -14.4262 2.7748 2.7748 2.7752 2.7752 3.0078 3.0078 3.0133 3.0133 3.3794 3.3794 3.4040 3.4040 3.6549 3.6549 3.6868 3.6868 3.8746 3.8746 3.8761 3.8761 4.7649 4.7649 4.7806 4.7806 8.5881 8.5881 8.5974 8.5974 9.0670 9.0670 9.0714 9.0714 9.8545 9.8545 k = 0.0448 0.1260 0.6550 ( 3850 PWs) bands (ev): -33.5870 -33.5870 -33.5870 -33.5870 -14.8508 -14.8508 -14.8480 -14.8480 -14.5026 -14.5026 -14.4820 -14.4820 -14.4444 -14.4444 -14.4267 -14.4267 2.7740 2.7740 2.7742 2.7742 3.0103 3.0103 3.0147 3.0147 3.3814 3.3814 3.4035 3.4035 3.6474 3.6474 3.6765 3.6765 3.8755 3.8755 3.8769 3.8769 4.7496 4.7496 4.7637 4.7637 8.5811 8.5811 8.5894 8.5894 9.0689 9.0689 9.0727 9.0727 9.8866 9.8866 k = 0.0384 0.1080 0.6550 ( 3854 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8504 -14.8504 -14.8480 -14.8480 -14.5012 -14.5012 -14.4835 -14.4835 -14.4425 -14.4425 -14.4273 -14.4273 2.7733 2.7733 2.7734 2.7734 3.0124 3.0124 3.0158 3.0158 3.3836 3.3836 3.4029 3.4029 3.6410 3.6410 3.6668 3.6668 3.8765 3.8765 3.8778 3.8778 4.7367 4.7367 4.7490 4.7490 8.5750 8.5750 8.5821 8.5821 9.0708 9.0708 9.0741 9.0741 9.9150 9.9150 k = 0.0320 0.0900 0.6550 ( 3850 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8500 -14.8500 -14.8479 -14.8479 -14.4998 -14.4998 -14.4849 -14.4849 -14.4408 -14.4408 -14.4281 -14.4281 2.7726 2.7726 2.7727 2.7727 3.0142 3.0142 3.0168 3.0168 3.3859 3.3859 3.4023 3.4023 3.6357 3.6357 3.6578 3.6578 3.8775 3.8775 3.8786 3.8786 4.7259 4.7259 4.7364 4.7364 8.5696 8.5696 8.5756 8.5756 9.0727 9.0727 9.0753 9.0753 9.9395 9.9395 k = 0.0256 0.0720 0.6550 ( 3852 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8497 -14.8497 -14.8480 -14.8480 -14.4983 -14.4983 -14.4864 -14.4864 -14.4391 -14.4391 -14.4289 -14.4289 2.7721 2.7721 2.7721 2.7721 3.0156 3.0156 3.0175 3.0175 3.3882 3.3882 3.4016 3.4016 3.6317 3.6317 3.6498 3.6498 3.8783 3.8783 3.8793 3.8793 4.7173 4.7173 4.7258 4.7258 8.5652 8.5652 8.5700 8.5700 9.0743 9.0743 9.0764 9.0764 9.9600 9.9600 k = 0.0192 0.0540 0.6550 ( 3848 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8494 -14.8494 -14.8481 -14.8481 -14.4968 -14.4968 -14.4879 -14.4879 -14.4375 -14.4375 -14.4298 -14.4298 2.7717 2.7717 2.7717 2.7717 3.0167 3.0167 3.0181 3.0181 3.3905 3.3905 3.4007 3.4007 3.6290 3.6290 3.6429 3.6429 3.8791 3.8791 3.8799 3.8799 4.7110 4.7110 4.7174 4.7174 8.5619 8.5619 8.5655 8.5655 9.0757 9.0757 9.0773 9.0773 9.9762 9.9763 k = 0.0128 0.0360 0.6550 ( 3850 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8491 -14.8491 -14.8482 -14.8482 -14.4954 -14.4954 -14.4894 -14.4894 -14.4360 -14.4360 -14.4309 -14.4309 2.7714 2.7714 2.7714 2.7714 3.0175 3.0175 3.0184 3.0184 3.3926 3.3926 3.3995 3.3995 3.6277 3.6277 3.6371 3.6371 3.8797 3.8797 3.8802 3.8802 4.7067 4.7067 4.7111 4.7111 8.5596 8.5596 8.5620 8.5620 9.0768 9.0768 9.0778 9.0778 9.9882 9.9883 k = 0.0064 0.0180 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8488 -14.8488 -14.8484 -14.8484 -14.4939 -14.4939 -14.4909 -14.4909 -14.4346 -14.4346 -14.4320 -14.4320 2.7712 2.7712 2.7712 2.7712 3.0181 3.0181 3.0185 3.0185 3.3947 3.3947 3.3981 3.3981 3.6279 3.6279 3.6327 3.6327 3.8801 3.8801 3.8804 3.8804 4.7046 4.7046 4.7068 4.7068 8.5585 8.5585 8.5597 8.5597 9.0776 9.0776 9.0781 9.0781 9.9958 9.9961 k = 0.0000 0.0000 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8486 -14.8486 -14.8486 -14.8486 -14.4924 -14.4924 -14.4924 -14.4924 -14.4332 -14.4332 -14.4332 -14.4332 2.7711 2.7711 2.7711 2.7711 3.0184 3.0184 3.0184 3.0184 3.3965 3.3965 3.3965 3.3965 3.6296 3.6296 3.6296 3.6296 3.8804 3.8804 3.8804 3.8804 4.7047 4.7047 4.7047 4.7047 8.5585 8.5585 8.5585 8.5585 9.0780 9.0780 9.0780 9.0780 9.9990 9.9990 k = 0.0000 0.0000 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8486 -14.8486 -14.8486 -14.8486 -14.4924 -14.4924 -14.4924 -14.4924 -14.4332 -14.4332 -14.4332 -14.4332 2.7711 2.7711 2.7711 2.7711 3.0184 3.0184 3.0184 3.0184 3.3965 3.3965 3.3965 3.3965 3.6296 3.6296 3.6296 3.6296 3.8804 3.8804 3.8804 3.8804 4.7047 4.7047 4.7047 4.7047 8.5585 8.5585 8.5585 8.5585 9.0780 9.0780 9.0780 9.0780 9.9990 9.9990 k = 0.0000 0.0000 0.6358 ( 3859 PWs) bands (ev): -33.5878 -33.5878 -33.5867 -33.5867 -14.8504 -14.8504 -14.8467 -14.8467 -14.4932 -14.4932 -14.4917 -14.4917 -14.4336 -14.4336 -14.4328 -14.4328 2.7576 2.7576 2.7846 2.7846 3.0174 3.0174 3.0193 3.0193 3.3941 3.3941 3.3986 3.3986 3.6263 3.6263 3.6312 3.6312 3.8735 3.8735 3.8866 3.8866 4.6110 4.6110 4.8033 4.8033 8.4760 8.4760 8.6418 8.6418 9.0287 9.0287 9.1268 9.1268 9.9770 9.9770 k = 0.0000 0.0000 0.6165 ( 3859 PWs) bands (ev): -33.5883 -33.5883 -33.5862 -33.5862 -14.8522 -14.8522 -14.8449 -14.8449 -14.4940 -14.4940 -14.4910 -14.4910 -14.4339 -14.4339 -14.4323 -14.4323 2.7443 2.7443 2.7979 2.7979 3.0163 3.0163 3.0201 3.0201 3.3913 3.3913 3.4006 3.4006 3.6208 3.6208 3.6317 3.6317 3.8659 3.8659 3.8921 3.8921 4.5232 4.5232 4.9062 4.9062 8.3949 8.3949 8.7243 8.7243 8.9805 8.9805 9.1745 9.1745 9.9571 9.9571 k = 0.0000 0.0000 0.5972 ( 3851 PWs) bands (ev): -33.5888 -33.5888 -33.5856 -33.5856 -14.8539 -14.8539 -14.8429 -14.8429 -14.4949 -14.4949 -14.4903 -14.4903 -14.4342 -14.4342 -14.4317 -14.4317 2.7313 2.7313 2.8109 2.8109 3.0151 3.0151 3.0209 3.0209 3.3879 3.3879 3.4025 3.4025 3.6125 3.6125 3.6314 3.6314 3.8577 3.8577 3.8969 3.8969 4.4422 4.4422 5.0125 5.0125 8.3159 8.3159 8.7989 8.7989 8.9401 8.9401 9.2207 9.2207 9.9393 9.9393 k = 0.0000 0.0000 0.5780 ( 3849 PWs) bands (ev): -33.5894 -33.5894 -33.5851 -33.5851 -14.8555 -14.8555 -14.8410 -14.8410 -14.4958 -14.4958 -14.4898 -14.4898 -14.4343 -14.4343 -14.4311 -14.4311 2.7186 2.7186 2.8233 2.8233 3.0137 3.0137 3.0216 3.0216 3.3838 3.3838 3.4044 3.4044 3.6006 3.6006 3.6305 3.6305 3.8488 3.8488 3.9011 3.9011 4.3692 4.3692 5.1217 5.1217 8.2392 8.2392 8.8266 8.8266 8.9467 8.9467 9.2654 9.2654 9.9237 9.9237 k = 0.0000 0.0000 0.5587 ( 3851 PWs) bands (ev): -33.5899 -33.5899 -33.5846 -33.5846 -14.8571 -14.8571 -14.8391 -14.8391 -14.4967 -14.4967 -14.4893 -14.4893 -14.4344 -14.4344 -14.4305 -14.4305 2.7063 2.7063 2.8350 2.8350 3.0120 3.0120 3.0224 3.0224 3.3787 3.3787 3.4065 3.4065 3.5844 3.5844 3.6294 3.6294 3.8394 3.8394 3.9045 3.9045 4.3051 4.3051 5.2333 5.2333 8.1653 8.1653 8.7916 8.7916 9.0160 9.0160 9.3083 9.3083 9.9105 9.9105 k = 0.0000 0.0000 0.5394 ( 3861 PWs) bands (ev): -33.5904 -33.5904 -33.5841 -33.5841 -14.8587 -14.8587 -14.8372 -14.8372 -14.4977 -14.4977 -14.4889 -14.4889 -14.4344 -14.4344 -14.4298 -14.4298 2.6947 2.6947 2.8455 2.8455 3.0101 3.0101 3.0230 3.0230 3.3723 3.3723 3.4087 3.4087 3.5636 3.5636 3.6284 3.6284 3.8294 3.8294 3.9072 3.9072 4.2508 4.2508 5.3465 5.3465 8.0945 8.0945 8.7415 8.7415 9.1002 9.1002 9.3493 9.3493 9.8996 9.8996 k = 0.0000 0.0000 0.5202 ( 3865 PWs) bands (ev): -33.5910 -33.5910 -33.5836 -33.5836 -14.8603 -14.8603 -14.8352 -14.8352 -14.4987 -14.4987 -14.4885 -14.4885 -14.4344 -14.4344 -14.4291 -14.4291 2.6837 2.6837 2.8548 2.8548 3.0078 3.0078 3.0237 3.0237 3.3639 3.3639 3.4109 3.4109 3.5390 3.5390 3.6276 3.6276 3.8193 3.8193 3.9093 3.9093 4.2063 4.2063 5.4607 5.4607 8.0274 8.0274 8.6881 8.6881 9.1877 9.1877 9.3886 9.3886 9.8911 9.8911 k = 0.0000 0.0000 0.5009 ( 3853 PWs) bands (ev): -33.5915 -33.5915 -33.5831 -33.5831 -14.8617 -14.8617 -14.8332 -14.8332 -14.4996 -14.4996 -14.4882 -14.4882 -14.4343 -14.4343 -14.4283 -14.4283 2.6734 2.6734 2.8625 2.8625 3.0052 3.0052 3.0244 3.0244 3.3521 3.3521 3.4130 3.4130 3.5126 3.5126 3.6271 3.6271 3.8094 3.8094 3.9109 3.9109 4.1714 4.1714 5.5753 5.5753 7.9646 7.9646 8.6335 8.6335 9.2762 9.2762 9.4259 9.4259 9.8853 9.8853 k = 0.0000 0.0000 0.4816 ( 3861 PWs) bands (ev): -33.5920 -33.5920 -33.5826 -33.5826 -14.8632 -14.8632 -14.8313 -14.8313 -14.5006 -14.5006 -14.4880 -14.4880 -14.4341 -14.4341 -14.4275 -14.4275 2.6638 2.6638 2.8682 2.8682 3.0019 3.0019 3.0251 3.0251 3.3350 3.3350 3.4138 3.4138 3.4885 3.4885 3.6270 3.6270 3.7996 3.7996 3.9121 3.9121 4.1448 4.1448 5.6895 5.6895 7.9066 7.9066 8.5785 8.5785 9.3647 9.3647 9.4614 9.4614 9.8819 9.8819 k = 0.0000 0.0000 0.4624 ( 3861 PWs) bands (ev): -33.5925 -33.5925 -33.5821 -33.5821 -14.8645 -14.8645 -14.8293 -14.8293 -14.5016 -14.5016 -14.4878 -14.4878 -14.4339 -14.4339 -14.4267 -14.4267 2.6550 2.6550 2.8716 2.8716 2.9979 2.9979 3.0259 3.0259 3.3104 3.3104 3.4122 3.4122 3.4720 3.4720 3.6273 3.6273 3.7902 3.7902 3.9129 3.9129 4.1251 4.1251 5.8023 5.8023 7.8544 7.8544 8.5237 8.5237 9.4524 9.4524 9.4955 9.4955 9.8812 9.8812 k = 0.0000 0.0000 0.4431 ( 3855 PWs) bands (ev): -33.5930 -33.5930 -33.5816 -33.5816 -14.8658 -14.8658 -14.8274 -14.8274 -14.5025 -14.5025 -14.4877 -14.4877 -14.4336 -14.4336 -14.4259 -14.4259 2.6471 2.6471 2.8722 2.8722 2.9931 2.9931 3.0267 3.0267 3.2782 3.2782 3.4077 3.4077 3.4658 3.4658 3.6280 3.6280 3.7813 3.7813 3.9137 3.9137 4.1108 4.1108 5.9125 5.9125 7.8089 7.8089 8.4691 8.4691 9.5237 9.5237 9.5434 9.5434 9.8833 9.8833 k = 0.0000 0.0000 0.4238 ( 3863 PWs) bands (ev): -33.5935 -33.5935 -33.5812 -33.5812 -14.8671 -14.8671 -14.8254 -14.8254 -14.5035 -14.5035 -14.4877 -14.4877 -14.4333 -14.4333 -14.4250 -14.4250 2.6400 2.6400 2.8696 2.8696 2.9871 2.9871 3.0274 3.0274 3.2407 3.2407 3.4023 3.4023 3.4675 3.4675 3.6290 3.6290 3.7729 3.7729 3.9141 3.9141 4.1005 4.1005 6.0188 6.0188 7.7713 7.7713 8.4152 8.4152 9.5554 9.5554 9.6281 9.6281 9.8880 9.8880 k = 0.0000 0.0000 0.4046 ( 3865 PWs) bands (ev): -33.5939 -33.5939 -33.5808 -33.5808 -14.8682 -14.8682 -14.8235 -14.8235 -14.5044 -14.5044 -14.4877 -14.4877 -14.4329 -14.4329 -14.4242 -14.4242 2.6337 2.6337 2.8631 2.8631 2.9798 2.9798 3.0281 3.0281 3.2017 3.2017 3.3978 3.3978 3.4738 3.4738 3.6305 3.6305 3.7649 3.7649 3.9145 3.9145 4.0933 4.0933 6.1196 6.1196 7.7432 7.7432 8.3621 8.3621 9.5837 9.5837 9.7127 9.7127 9.8958 9.8958 k = 0.0000 0.0000 0.3853 ( 3873 PWs) bands (ev): -33.5944 -33.5944 -33.5804 -33.5804 -14.8694 -14.8694 -14.8217 -14.8217 -14.5054 -14.5054 -14.4878 -14.4878 -14.4325 -14.4325 -14.4233 -14.4233 2.6284 2.6284 2.8520 2.8520 2.9710 2.9710 3.0288 3.0288 3.1643 3.1643 3.3946 3.3946 3.4828 3.4828 3.6322 3.6322 3.7573 3.7573 3.9147 3.9147 4.0881 4.0881 6.2128 6.2128 7.7262 7.7262 8.3101 8.3101 9.6103 9.6103 9.7951 9.7951 9.9072 9.9072 k = 0.0000 0.0000 0.3660 ( 3865 PWs) bands (ev): -33.5948 -33.5948 -33.5799 -33.5799 -14.8705 -14.8705 -14.8198 -14.8198 -14.5063 -14.5063 -14.4879 -14.4879 -14.4321 -14.4321 -14.4224 -14.4224 2.6240 2.6240 2.8356 2.8356 2.9608 2.9608 3.0294 3.0294 3.1311 3.1311 3.3926 3.3926 3.4937 3.4937 3.6343 3.6343 3.7503 3.7503 3.9149 3.9149 4.0843 4.0843 6.2965 6.2965 7.7223 7.7223 8.2593 8.2593 9.6352 9.6352 9.8714 9.8714 9.9256 9.9256 k = 0.0000 0.0000 0.3468 ( 3881 PWs) bands (ev): -33.5953 -33.5953 -33.5796 -33.5796 -14.8715 -14.8715 -14.8181 -14.8181 -14.5072 -14.5072 -14.4881 -14.4881 -14.4317 -14.4317 -14.4216 -14.4216 2.6204 2.6204 2.8133 2.8133 2.9494 2.9494 3.0299 3.0299 3.1034 3.1034 3.3917 3.3917 3.5059 3.5059 3.6367 3.6367 3.7436 3.7436 3.9148 3.9148 4.0814 4.0814 6.3687 6.3687 7.7330 7.7330 8.2099 8.2099 9.6586 9.6586 9.9196 9.9196 9.9726 9.9726 k = 0.0000 0.0000 0.3275 ( 3881 PWs) bands (ev): -33.5957 -33.5957 -33.5792 -33.5792 -14.8725 -14.8725 -14.8163 -14.8163 -14.5080 -14.5080 -14.4882 -14.4882 -14.4313 -14.4313 -14.4207 -14.4207 2.6178 2.6178 2.7856 2.7856 2.9373 2.9373 3.0303 3.0303 3.0814 3.0814 3.3917 3.3917 3.5190 3.5190 3.6393 3.6393 3.7375 3.7375 3.9146 3.9146 4.0790 4.0790 6.4279 6.4279 7.7596 7.7596 8.1621 8.1621 9.6804 9.6804 9.9431 9.9431 10.0447 10.0447 k = 0.0000 0.0000 0.3082 ( 3879 PWs) bands (ev): -33.5961 -33.5961 -33.5788 -33.5788 -14.8733 -14.8733 -14.8146 -14.8146 -14.5088 -14.5088 -14.4884 -14.4884 -14.4309 -14.4309 -14.4199 -14.4199 2.6161 2.6161 2.7536 2.7536 2.9248 2.9248 3.0306 3.0306 3.0643 3.0643 3.3926 3.3926 3.5326 3.5326 3.6422 3.6422 3.7320 3.7320 3.9144 3.9144 4.0769 4.0769 6.4735 6.4735 7.8025 7.8025 8.1162 8.1162 9.7008 9.7008 9.9648 9.9648 10.1186 10.1186 k = 0.0000 0.0000 0.2890 ( 3879 PWs) bands (ev): -33.5964 -33.5964 -33.5785 -33.5785 -14.8742 -14.8742 -14.8130 -14.8130 -14.5096 -14.5096 -14.4886 -14.4886 -14.4304 -14.4304 -14.4190 -14.4190 2.6153 2.6153 2.7190 2.7190 2.9121 2.9121 3.0305 3.0305 3.0513 3.0513 3.3942 3.3942 3.5464 3.5464 3.6452 3.6452 3.7272 3.7272 3.9140 3.9140 4.0747 4.0747 6.5059 6.5059 7.8604 7.8604 8.0725 8.0725 9.7197 9.7197 9.9880 9.9880 10.1907 10.1907 k = 0.0000 0.0000 0.2697 ( 3885 PWs) bands (ev): -33.5968 -33.5968 -33.5782 -33.5782 -14.8750 -14.8750 -14.8115 -14.8115 -14.5104 -14.5104 -14.4889 -14.4889 -14.4300 -14.4300 -14.4182 -14.4182 2.6150 2.6150 2.6833 2.6833 2.8992 2.8992 3.0297 3.0297 3.0418 3.0418 3.3963 3.3963 3.5599 3.5599 3.6484 3.6484 3.7234 3.7234 3.9136 3.9136 4.0724 4.0724 6.5264 6.5264 7.9306 7.9306 8.0323 8.0323 9.7369 9.7369 10.0132 10.0132 10.2600 10.2600 k = 0.0000 0.0000 0.2505 ( 3889 PWs) bands (ev): -33.5971 -33.5971 -33.5779 -33.5779 -14.8757 -14.8757 -14.8100 -14.8100 -14.5111 -14.5111 -14.4891 -14.4891 -14.4296 -14.4296 -14.4174 -14.4174 2.6142 2.6142 2.6489 2.6489 2.8861 2.8861 3.0266 3.0266 3.0364 3.0364 3.3989 3.3989 3.5726 3.5726 3.6518 3.6518 3.7206 3.7206 3.9133 3.9133 4.0698 4.0698 6.5372 6.5372 7.9787 7.9787 8.0275 8.0275 9.7525 9.7525 10.0405 10.0405 10.3258 10.3258 k = 0.0000 0.0000 0.2312 ( 3889 PWs) bands (ev): -33.5974 -33.5974 -33.5776 -33.5776 -14.8764 -14.8764 -14.8086 -14.8086 -14.5118 -14.5118 -14.4893 -14.4893 -14.4292 -14.4292 -14.4166 -14.4166 2.6030 2.6030 2.6269 2.6269 2.8727 2.8727 3.0212 3.0212 3.0347 3.0347 3.4020 3.4020 3.5841 3.5841 3.6553 3.6553 3.7193 3.7193 3.9131 3.9131 4.0668 4.0668 6.5404 6.5404 7.9483 7.9483 8.1120 8.1120 9.7660 9.7660 10.0698 10.0698 10.3801 10.3801 k = 0.0000 0.0000 0.2119 ( 3899 PWs) bands (ev): -33.5977 -33.5977 -33.5774 -33.5774 -14.8770 -14.8770 -14.8073 -14.8073 -14.5125 -14.5125 -14.4896 -14.4896 -14.4289 -14.4289 -14.4159 -14.4159 2.5734 2.5734 2.6256 2.6256 2.8592 2.8592 3.0156 3.0156 3.0343 3.0343 3.4053 3.4053 3.5938 3.5938 3.6587 3.6587 3.7195 3.7195 3.9133 3.9133 4.0633 4.0633 6.5379 6.5379 7.9141 7.9141 8.2086 8.2086 9.7773 9.7773 10.1010 10.1010 10.3646 10.3646 k = 0.0000 0.0000 0.1927 ( 3899 PWs) bands (ev): -33.5980 -33.5980 -33.5772 -33.5772 -14.8776 -14.8776 -14.8061 -14.8061 -14.5130 -14.5130 -14.4898 -14.4898 -14.4286 -14.4286 -14.4152 -14.4152 2.5424 2.5424 2.6286 2.6286 2.8454 2.8454 3.0106 3.0106 3.0342 3.0342 3.4088 3.4088 3.6016 3.6016 3.6621 3.6621 3.7216 3.7216 3.9139 3.9139 4.0592 4.0592 6.5317 6.5317 7.8819 7.8819 8.3090 8.3090 9.7859 9.7859 10.1338 10.1338 10.3387 10.3387 k = 0.0000 0.0000 0.1734 ( 3905 PWs) bands (ev): -33.5983 -33.5983 -33.5769 -33.5769 -14.8781 -14.8781 -14.8050 -14.8050 -14.5136 -14.5136 -14.4900 -14.4900 -14.4283 -14.4283 -14.4145 -14.4145 2.5132 2.5132 2.6331 2.6331 2.8316 2.8316 3.0061 3.0061 3.0341 3.0341 3.4123 3.4123 3.6073 3.6073 3.6652 3.6652 3.7253 3.7253 3.9151 3.9151 4.0546 4.0546 6.5230 6.5230 7.8522 7.8522 8.4106 8.4106 9.7915 9.7915 10.1678 10.1678 10.3150 10.3150 k = 0.0000 0.0000 0.1541 ( 3901 PWs) bands (ev): -33.5985 -33.5985 -33.5768 -33.5768 -14.8786 -14.8786 -14.8040 -14.8040 -14.5141 -14.5141 -14.4902 -14.4902 -14.4280 -14.4280 -14.4139 -14.4139 2.4865 2.4865 2.6387 2.6387 2.8177 2.8177 3.0022 3.0022 3.0342 3.0342 3.4159 3.4159 3.6111 3.6111 3.6681 3.6681 3.7302 3.7302 3.9172 3.9172 4.0494 4.0494 6.5132 6.5132 7.8252 7.8252 8.5112 8.5112 9.7935 9.7935 10.2028 10.2028 10.2942 10.2942 k = 0.0000 0.0000 0.1349 ( 3909 PWs) bands (ev): -33.5987 -33.5987 -33.5766 -33.5766 -14.8789 -14.8789 -14.8031 -14.8031 -14.5145 -14.5145 -14.4904 -14.4904 -14.4278 -14.4278 -14.4135 -14.4135 2.4625 2.4625 2.6451 2.6451 2.8038 2.8038 2.9987 2.9987 3.0342 3.0342 3.4194 3.4194 3.6133 3.6133 3.6707 3.6707 3.7358 3.7358 3.9201 3.9201 4.0436 4.0436 6.5029 6.5029 7.8011 7.8011 8.6086 8.6086 9.7918 9.7918 10.2380 10.2380 10.2770 10.2770 k = 0.0000 0.0000 0.1156 ( 3913 PWs) bands (ev): -33.5989 -33.5989 -33.5764 -33.5764 -14.8793 -14.8793 -14.8023 -14.8023 -14.5149 -14.5149 -14.4905 -14.4905 -14.4276 -14.4276 -14.4130 -14.4130 2.4414 2.4414 2.6523 2.6523 2.7899 2.7899 2.9958 2.9958 3.0342 3.0342 3.4227 3.4227 3.6142 3.6142 3.6731 3.6731 3.7415 3.7415 3.9239 3.9239 4.0373 4.0373 6.4929 6.4929 7.7800 7.7800 8.7008 8.7008 9.7862 9.7862 10.2612 10.2612 10.2750 10.2750 k = 0.0000 0.0000 0.0963 ( 3913 PWs) bands (ev): -33.5990 -33.5990 -33.5763 -33.5763 -14.8796 -14.8796 -14.8016 -14.8016 -14.5152 -14.5152 -14.4907 -14.4907 -14.4274 -14.4274 -14.4126 -14.4126 2.4234 2.4234 2.6603 2.6603 2.7763 2.7763 2.9934 2.9934 3.0342 3.0342 3.4256 3.4256 3.6144 3.6144 3.6752 3.6752 3.7467 3.7467 3.9287 3.9287 4.0307 4.0307 6.4838 6.4838 7.7620 7.7620 8.7857 8.7857 9.7770 9.7770 10.2519 10.2519 10.3078 10.3078 k = 0.0000 0.0000 0.0771 ( 3921 PWs) bands (ev): -33.5991 -33.5991 -33.5762 -33.5762 -14.8798 -14.8798 -14.8011 -14.8011 -14.5155 -14.5155 -14.4908 -14.4908 -14.4272 -14.4272 -14.4123 -14.4123 2.4086 2.4086 2.6691 2.6691 2.7629 2.7629 2.9913 2.9913 3.0342 3.0342 3.4282 3.4282 3.6142 3.6142 3.6770 3.6770 3.7511 3.7511 3.9341 3.9341 4.0238 4.0238 6.4759 6.4759 7.7472 7.7472 8.8610 8.8610 9.7653 9.7653 10.2447 10.2447 10.3392 10.3392 k = 0.0000 0.0000 0.0578 ( 3921 PWs) bands (ev): -33.5992 -33.5992 -33.5761 -33.5761 -14.8800 -14.8800 -14.8006 -14.8006 -14.5157 -14.5157 -14.4909 -14.4909 -14.4271 -14.4271 -14.4120 -14.4120 2.3970 2.3970 2.6784 2.6784 2.7499 2.7499 2.9898 2.9898 3.0342 3.0342 3.4303 3.4303 3.6137 3.6137 3.6785 3.6785 3.7546 3.7546 3.9399 3.9399 4.0171 4.0171 6.4694 6.4694 7.7355 7.7355 8.9241 8.9241 9.7526 9.7526 10.2401 10.2401 10.3668 10.3668 k = 0.0000 0.0000 0.0385 ( 3925 PWs) bands (ev): -33.5993 -33.5993 -33.5761 -33.5761 -14.8802 -14.8802 -14.8004 -14.8004 -14.5159 -14.5159 -14.4909 -14.4909 -14.4271 -14.4271 -14.4118 -14.4118 2.3887 2.3887 2.6882 2.6882 2.7375 2.7375 2.9887 2.9887 3.0342 3.0342 3.4319 3.4319 3.6133 3.6133 3.6796 3.6796 3.7570 3.7570 3.9454 3.9454 4.0111 4.0111 6.4647 6.4647 7.7272 7.7272 8.9724 8.9724 9.7408 9.7408 10.2374 10.2374 10.3885 10.3885 k = 0.0000 0.0000 0.0193 ( 3917 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8002 -14.8002 -14.5159 -14.5159 -14.4909 -14.4909 -14.4270 -14.4270 -14.4117 -14.4117 2.3837 2.3837 2.6980 2.6980 2.7262 2.7262 2.9881 2.9881 3.0342 3.0342 3.4328 3.4328 3.6130 3.6130 3.6804 3.6804 3.7585 3.7585 3.9495 3.9495 4.0067 4.0067 6.4618 6.4618 7.7222 7.7222 9.0028 9.0028 9.7325 9.7325 10.2360 10.2360 10.4026 10.4026 k = 0.0000 0.0000 0.0000 ( 3921 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8001 -14.8001 -14.5160 -14.5160 -14.4909 -14.4909 -14.4270 -14.4270 -14.4117 -14.4117 2.3820 2.3820 2.7039 2.7039 2.7197 2.7197 2.9878 2.9878 3.0342 3.0342 3.4331 3.4331 3.6128 3.6128 3.6806 3.6806 3.7590 3.7590 3.9511 3.9511 4.0051 4.0051 6.4608 6.4608 7.7205 7.7205 9.0132 9.0132 9.7295 9.7295 10.2356 10.2356 10.4075 10.4075 k = 0.0000 0.0000 0.0000 ( 3921 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8001 -14.8001 -14.5160 -14.5160 -14.4909 -14.4909 -14.4270 -14.4270 -14.4117 -14.4117 2.3820 2.3820 2.7039 2.7039 2.7197 2.7197 2.9878 2.9878 3.0342 3.0342 3.4331 3.4331 3.6128 3.6128 3.6806 3.6806 3.7590 3.7590 3.9511 3.9511 4.0051 4.0051 6.4608 6.4608 7.7205 7.7205 9.0132 9.0132 9.7295 9.7295 10.2356 10.2356 10.4075 10.4075 k =-0.0179 0.0063 0.0000 ( 3921 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8001 -14.8001 -14.5159 -14.5159 -14.4910 -14.4910 -14.4270 -14.4270 -14.4116 -14.4116 2.3835 2.3835 2.7042 2.7042 2.7198 2.7198 2.9878 2.9878 3.0342 3.0342 3.4331 3.4331 3.6129 3.6129 3.6805 3.6805 3.7590 3.7590 3.9511 3.9511 4.0049 4.0049 6.4512 6.4512 7.7284 7.7284 9.0133 9.0133 9.7275 9.7275 10.2358 10.2358 10.4091 10.4091 k =-0.0357 0.0127 0.0000 ( 3917 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8802 -14.8802 -14.8002 -14.8002 -14.5159 -14.5159 -14.4910 -14.4910 -14.4271 -14.4271 -14.4116 -14.4116 2.3878 2.3878 2.7047 2.7047 2.7203 2.7203 2.9877 2.9877 3.0340 3.0340 3.4327 3.4327 3.6130 3.6130 3.6806 3.6806 3.7589 3.7589 3.9512 3.9512 4.0046 4.0046 6.4233 6.4233 7.7512 7.7512 9.0139 9.0139 9.7218 9.7218 10.2365 10.2365 10.4139 10.4139 k =-0.0536 0.0190 0.0000 ( 3919 PWs) bands (ev): -33.5993 -33.5993 -33.5760 -33.5760 -14.8801 -14.8801 -14.8003 -14.8003 -14.5158 -14.5158 -14.4909 -14.4909 -14.4273 -14.4273 -14.4117 -14.4117 2.3949 2.3949 2.7057 2.7057 2.7211 2.7211 2.9876 2.9876 3.0337 3.0337 3.4322 3.4322 3.6131 3.6131 3.6806 3.6806 3.7588 3.7588 3.9512 3.9512 4.0039 4.0039 6.3789 6.3789 7.7870 7.7870 9.0148 9.0148 9.7125 9.7125 10.2377 10.2377 10.4219 10.4219 k =-0.0714 0.0254 0.0000 ( 3913 PWs) bands (ev): -33.5993 -33.5993 -33.5761 -33.5761 -14.8800 -14.8800 -14.8004 -14.8004 -14.5156 -14.5156 -14.4909 -14.4909 -14.4274 -14.4274 -14.4117 -14.4117 2.4047 2.4047 2.7071 2.7071 2.7221 2.7221 2.9874 2.9874 3.0332 3.0332 3.4315 3.4315 3.6133 3.6133 3.6806 3.6806 3.7587 3.7587 3.9514 3.9514 4.0030 4.0030 6.3208 6.3208 7.8332 7.8332 9.0162 9.0162 9.6997 9.6997 10.2395 10.2395 10.4330 10.4330 k =-0.0893 0.0317 0.0000 ( 3917 PWs) bands (ev): -33.5993 -33.5993 -33.5761 -33.5761 -14.8799 -14.8799 -14.8005 -14.8005 -14.5155 -14.5155 -14.4908 -14.4908 -14.4277 -14.4277 -14.4117 -14.4117 2.4173 2.4173 2.7087 2.7087 2.7235 2.7235 2.9873 2.9873 3.0327 3.0327 3.4306 3.4306 3.6135 3.6135 3.6807 3.6807 3.7585 3.7585 3.9515 3.9515 4.0018 4.0018 6.2516 6.2516 7.8870 7.8870 9.0181 9.0181 9.6838 9.6838 10.2419 10.2419 10.4471 10.4471 k =-0.1071 0.0381 0.0000 ( 3907 PWs) bands (ev): -33.5992 -33.5992 -33.5761 -33.5761 -14.8798 -14.8798 -14.8007 -14.8007 -14.5152 -14.5152 -14.4908 -14.4908 -14.4280 -14.4280 -14.4117 -14.4117 2.4324 2.4324 2.7108 2.7108 2.7251 2.7251 2.9873 2.9873 3.0321 3.0321 3.4296 3.4296 3.6138 3.6138 3.6807 3.6807 3.7584 3.7584 3.9518 3.9518 4.0004 4.0004 6.1737 6.1737 7.9462 7.9462 9.0204 9.0204 9.6651 9.6651 10.2450 10.2450 10.4642 10.4642 k =-0.1250 0.0444 0.0000 ( 3897 PWs) bands (ev): -33.5992 -33.5992 -33.5761 -33.5761 -14.8796 -14.8796 -14.8009 -14.8009 -14.5149 -14.5149 -14.4906 -14.4906 -14.4284 -14.4284 -14.4118 -14.4118 2.4500 2.4500 2.7132 2.7132 2.7271 2.7271 2.9875 2.9875 3.0313 3.0313 3.4284 3.4284 3.6142 3.6142 3.6808 3.6808 3.7582 3.7582 3.9520 3.9520 3.9988 3.9988 6.0892 6.0892 8.0086 8.0086 9.0233 9.0233 9.6442 9.6442 10.2490 10.2490 10.4841 10.4841 k =-0.1429 0.0508 0.0000 ( 3899 PWs) bands (ev): -33.5992 -33.5992 -33.5762 -33.5762 -14.8794 -14.8794 -14.8012 -14.8012 -14.5147 -14.5147 -14.4906 -14.4906 -14.4288 -14.4288 -14.4118 -14.4118 2.4699 2.4699 2.7158 2.7158 2.7293 2.7293 2.9880 2.9880 3.0305 3.0305 3.4271 3.4271 3.6146 3.6146 3.6809 3.6809 3.7581 3.7581 3.9523 3.9523 3.9971 3.9971 5.9995 5.9995 8.0727 8.0727 9.0268 9.0268 9.6213 9.6213 10.2537 10.2537 10.5067 10.5067 k =-0.1607 0.0571 0.0000 ( 3899 PWs) bands (ev): -33.5991 -33.5991 -33.5762 -33.5762 -14.8792 -14.8792 -14.8015 -14.8015 -14.5144 -14.5144 -14.4905 -14.4905 -14.4293 -14.4293 -14.4119 -14.4119 2.4917 2.4917 2.7187 2.7187 2.7319 2.7319 2.9890 2.9890 3.0295 3.0295 3.4256 3.4256 3.6151 3.6151 3.6810 3.6810 3.7580 3.7580 3.9527 3.9527 3.9951 3.9951 5.9061 5.9061 8.1372 8.1372 9.0309 9.0309 9.5970 9.5970 10.2592 10.2592 10.5317 10.5317 k =-0.1786 0.0635 0.0000 ( 3897 PWs) bands (ev): -33.5991 -33.5991 -33.5762 -33.5762 -14.8790 -14.8790 -14.8018 -14.8018 -14.5140 -14.5140 -14.4904 -14.4904 -14.4299 -14.4299 -14.4119 -14.4119 2.5153 2.5153 2.7218 2.7218 2.7347 2.7347 2.9906 2.9906 3.0285 3.0285 3.4241 3.4241 3.6157 3.6157 3.6811 3.6811 3.7580 3.7580 3.9531 3.9531 3.9931 3.9931 5.8098 5.8098 8.2012 8.2012 9.0357 9.0357 9.5717 9.5717 10.2653 10.2653 10.5589 10.5589 k =-0.1964 0.0698 0.0000 ( 3893 PWs) bands (ev): -33.5990 -33.5990 -33.5763 -33.5763 -14.8787 -14.8787 -14.8021 -14.8021 -14.5136 -14.5136 -14.4903 -14.4903 -14.4304 -14.4304 -14.4120 -14.4120 2.5402 2.5402 2.7252 2.7252 2.7380 2.7380 2.9931 2.9931 3.0275 3.0275 3.4226 3.4226 3.6164 3.6164 3.6812 3.6812 3.7582 3.7582 3.9536 3.9536 3.9910 3.9910 5.7116 5.7116 8.2637 8.2637 9.0413 9.0413 9.5458 9.5458 10.2721 10.2721 10.5880 10.5880 k =-0.2143 0.0762 0.0000 ( 3889 PWs) bands (ev): -33.5990 -33.5990 -33.5763 -33.5763 -14.8785 -14.8785 -14.8025 -14.8025 -14.5132 -14.5132 -14.4901 -14.4901 -14.4310 -14.4310 -14.4120 -14.4120 2.5659 2.5659 2.7286 2.7286 2.7417 2.7417 2.9967 2.9967 3.0263 3.0263 3.4209 3.4209 3.6173 3.6173 3.6814 3.6814 3.7585 3.7585 3.9542 3.9542 3.9888 3.9888 5.6122 5.6122 8.3243 8.3243 9.0477 9.0477 9.5198 9.5198 10.2795 10.2795 10.6186 10.6186 k =-0.2321 0.0825 0.0000 ( 3887 PWs) bands (ev): -33.5989 -33.5989 -33.5763 -33.5763 -14.8782 -14.8782 -14.8028 -14.8028 -14.5129 -14.5129 -14.4900 -14.4900 -14.4317 -14.4317 -14.4121 -14.4121 2.5918 2.5918 2.7321 2.7321 2.7459 2.7459 3.0017 3.0017 3.0252 3.0252 3.4192 3.4192 3.6183 3.6183 3.6815 3.6815 3.7591 3.7591 3.9550 3.9550 3.9865 3.9865 5.5120 5.5120 8.3822 8.3822 9.0550 9.0550 9.4938 9.4938 10.2872 10.2872 10.6502 10.6502 k =-0.2500 0.0889 0.0000 ( 3879 PWs) bands (ev): -33.5989 -33.5989 -33.5764 -33.5764 -14.8779 -14.8779 -14.8032 -14.8032 -14.5124 -14.5124 -14.4898 -14.4898 -14.4323 -14.4323 -14.4121 -14.4121 2.6172 2.6172 2.7357 2.7357 2.7509 2.7509 3.0086 3.0086 3.0241 3.0241 3.4176 3.4176 3.6195 3.6195 3.6817 3.6817 3.7601 3.7601 3.9558 3.9558 3.9844 3.9844 5.4117 5.4117 8.4370 8.4370 9.0632 9.0632 9.4684 9.4684 10.2953 10.2953 10.6824 10.6824 k =-0.2679 0.0952 0.0000 ( 3877 PWs) bands (ev): -33.5988 -33.5988 -33.5764 -33.5764 -14.8776 -14.8776 -14.8036 -14.8036 -14.5120 -14.5120 -14.4897 -14.4897 -14.4330 -14.4330 -14.4122 -14.4122 2.6410 2.6410 2.7392 2.7392 2.7566 2.7566 3.0174 3.0174 3.0235 3.0235 3.4159 3.4159 3.6210 3.6210 3.6818 3.6818 3.7616 3.7616 3.9567 3.9567 3.9823 3.9823 5.3116 5.3116 8.4884 8.4884 9.0723 9.0723 9.4437 9.4437 10.3035 10.3035 10.7146 10.7146 k =-0.2857 0.1015 0.0000 ( 3877 PWs) bands (ev): -33.5988 -33.5988 -33.5764 -33.5764 -14.8773 -14.8773 -14.8040 -14.8040 -14.5116 -14.5116 -14.4895 -14.4895 -14.4336 -14.4336 -14.4122 -14.4122 2.6625 2.6625 2.7428 2.7428 2.7634 2.7634 3.0210 3.0210 3.0308 3.0308 3.4143 3.4143 3.6227 3.6227 3.6819 3.6819 3.7636 3.7636 3.9578 3.9578 3.9805 3.9805 5.2122 5.2122 8.5359 8.5359 9.0823 9.0823 9.4201 9.4201 10.3118 10.3118 10.7461 10.7461 k =-0.3036 0.1079 0.0000 ( 3878 PWs) bands (ev): -33.5988 -33.5988 -33.5765 -33.5765 -14.8771 -14.8771 -14.8043 -14.8043 -14.5112 -14.5112 -14.4894 -14.4894 -14.4343 -14.4343 -14.4123 -14.4123 2.6807 2.6807 2.7462 2.7462 2.7713 2.7713 3.0201 3.0201 3.0458 3.0458 3.4127 3.4127 3.6247 3.6247 3.6819 3.6819 3.7665 3.7665 3.9588 3.9588 3.9791 3.9791 5.1140 5.1140 8.5794 8.5794 9.0932 9.0932 9.3977 9.3977 10.3201 10.3201 10.7761 10.7761 k =-0.3214 0.1142 0.0000 ( 3874 PWs) bands (ev): -33.5987 -33.5987 -33.5765 -33.5765 -14.8768 -14.8768 -14.8047 -14.8047 -14.5108 -14.5108 -14.4892 -14.4892 -14.4349 -14.4349 -14.4123 -14.4123 2.6953 2.6953 2.7495 2.7495 2.7798 2.7798 3.0190 3.0190 3.0642 3.0642 3.4112 3.4112 3.6270 3.6270 3.6819 3.6819 3.7703 3.7703 3.9599 3.9599 3.9784 3.9784 5.0173 5.0173 8.6186 8.6186 9.1048 9.1048 9.3769 9.3769 10.3281 10.3281 10.7943 10.7952 k =-0.3393 0.1206 0.0000 ( 3870 PWs) bands (ev): -33.5987 -33.5987 -33.5765 -33.5765 -14.8765 -14.8765 -14.8050 -14.8050 -14.5104 -14.5104 -14.4891 -14.4891 -14.4355 -14.4355 -14.4124 -14.4124 2.7066 2.7066 2.7526 2.7526 2.7885 2.7885 3.0180 3.0180 3.0857 3.0857 3.4099 3.4099 3.6296 3.6296 3.6819 3.6819 3.7752 3.7752 3.9606 3.9606 3.9789 3.9789 4.9225 4.9225 8.6535 8.6535 9.1169 9.1169 9.3577 9.3577 10.3358 10.3358 10.7804 10.7804 k =-0.3571 0.1269 0.0000 ( 3864 PWs) bands (ev): -33.5986 -33.5986 -33.5766 -33.5766 -14.8763 -14.8763 -14.8053 -14.8053 -14.5100 -14.5100 -14.4889 -14.4889 -14.4361 -14.4361 -14.4124 -14.4124 2.7150 2.7150 2.7556 2.7556 2.7967 2.7967 3.0171 3.0171 3.1095 3.1095 3.4086 3.4086 3.6324 3.6324 3.6817 3.6817 3.7814 3.7814 3.9608 3.9608 3.9811 3.9811 4.8302 4.8302 8.6841 8.6841 9.1292 9.1292 9.3405 9.3405 10.3430 10.3430 10.7651 10.7651 k =-0.3750 0.1333 0.0000 ( 3874 PWs) bands (ev): -33.5986 -33.5986 -33.5766 -33.5766 -14.8761 -14.8761 -14.8057 -14.8057 -14.5097 -14.5097 -14.4888 -14.4888 -14.4366 -14.4366 -14.4125 -14.4125 2.7213 2.7213 2.7583 2.7583 2.8039 2.8039 3.0162 3.0162 3.1347 3.1347 3.4075 3.4075 3.6354 3.6354 3.6814 3.6814 3.7891 3.7891 3.9605 3.9605 3.9854 3.9854 4.7408 4.7408 8.7104 8.7104 9.1412 9.1412 9.3253 9.3253 10.3496 10.3496 10.7496 10.7496 k =-0.3929 0.1396 0.0000 ( 3876 PWs) bands (ev): -33.5986 -33.5986 -33.5766 -33.5766 -14.8759 -14.8759 -14.8059 -14.8059 -14.5095 -14.5095 -14.4887 -14.4887 -14.4371 -14.4371 -14.4126 -14.4126 2.7261 2.7261 2.7607 2.7607 2.8098 2.8098 3.0154 3.0154 3.1601 3.1601 3.4065 3.4065 3.6386 3.6386 3.6810 3.6810 3.7982 3.7982 3.9598 3.9598 3.9922 3.9922 4.6550 4.6550 8.7326 8.7326 9.1526 9.1526 9.3122 9.3122 10.3557 10.3557 10.7346 10.7346 k =-0.4107 0.1460 0.0000 ( 3872 PWs) bands (ev): -33.5985 -33.5985 -33.5766 -33.5766 -14.8757 -14.8757 -14.8061 -14.8061 -14.5092 -14.5092 -14.4886 -14.4886 -14.4375 -14.4375 -14.4126 -14.4126 2.7298 2.7298 2.7628 2.7628 2.8146 2.8146 3.0147 3.0147 3.1842 3.1842 3.4056 3.4056 3.6418 3.6418 3.6805 3.6805 3.8083 3.8083 3.9590 3.9590 4.0022 4.0022 4.5737 4.5737 8.7509 8.7509 9.1629 9.1629 9.3015 9.3015 10.3609 10.3609 10.7208 10.7208 k =-0.4286 0.1523 0.0000 ( 3874 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8756 -14.8756 -14.8063 -14.8063 -14.5090 -14.5090 -14.4885 -14.4885 -14.4379 -14.4379 -14.4126 -14.4126 2.7326 2.7326 2.7646 2.7646 2.8181 2.8181 3.0141 3.0141 3.2058 3.2058 3.4048 3.4048 3.6447 3.6447 3.6799 3.6799 3.8188 3.8188 3.9581 3.9581 4.0158 4.0158 4.4980 4.4980 8.7654 8.7654 9.1715 9.1715 9.2931 9.2931 10.3653 10.3653 10.7086 10.7086 k =-0.4464 0.1587 0.0000 ( 3868 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8755 -14.8755 -14.8065 -14.8065 -14.5088 -14.5088 -14.4884 -14.4884 -14.4381 -14.4381 -14.4126 -14.4126 2.7346 2.7346 2.7660 2.7660 2.8208 2.8208 3.0136 3.0136 3.2238 3.2238 3.4043 3.4043 3.6474 3.6474 3.6793 3.6793 3.8285 3.8285 3.9574 3.9574 4.0332 4.0332 4.4297 4.4297 8.7765 8.7765 9.1783 9.1783 9.2870 9.2870 10.3689 10.3689 10.6986 10.6986 k =-0.4643 0.1650 0.0000 ( 3872 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8066 -14.8066 -14.5087 -14.5087 -14.4883 -14.4883 -14.4383 -14.4383 -14.4127 -14.4127 2.7360 2.7360 2.7670 2.7670 2.8225 2.8225 3.0133 3.0133 3.2372 3.2372 3.4039 3.4039 3.6494 3.6494 3.6788 3.6788 3.8362 3.8362 3.9568 3.9568 4.0531 4.0531 4.3720 4.3720 8.7843 8.7843 9.1830 9.1830 9.2830 9.2830 10.3714 10.3714 10.6911 10.6911 k =-0.4821 0.1714 0.0000 ( 3880 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8067 -14.8067 -14.5087 -14.5087 -14.4883 -14.4883 -14.4385 -14.4385 -14.4126 -14.4126 2.7368 2.7368 2.7676 2.7676 2.8235 2.8235 3.0131 3.0131 3.2455 3.2455 3.4036 3.4036 3.6507 3.6507 3.6784 3.6784 3.8412 3.8412 3.9564 3.9564 4.0711 4.0711 4.3308 4.3308 8.7889 8.7889 9.1858 9.1858 9.2808 9.2808 10.3729 10.3729 10.6865 10.6865 k =-0.5000 0.1777 0.0000 ( 3884 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8067 -14.8067 -14.5086 -14.5086 -14.4883 -14.4883 -14.4385 -14.4385 -14.4127 -14.4127 2.7370 2.7370 2.7678 2.7678 2.8238 2.8238 3.0130 3.0130 3.2483 3.2483 3.4035 3.4035 3.6511 3.6511 3.6782 3.6782 3.8430 3.8430 3.9563 3.9563 4.0789 4.0789 4.3152 4.3152 8.7904 8.7904 9.1867 9.1867 9.2801 9.2801 10.3734 10.3734 10.6850 10.6850 k =-0.5000 0.1777 0.0000 ( 3884 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8067 -14.8067 -14.5086 -14.5086 -14.4883 -14.4883 -14.4385 -14.4385 -14.4127 -14.4127 2.7370 2.7370 2.7678 2.7678 2.8238 2.8238 3.0130 3.0130 3.2483 3.2483 3.4035 3.4035 3.6511 3.6511 3.6782 3.6782 3.8430 3.8430 3.9563 3.9563 4.0789 4.0789 4.3152 4.3152 8.7904 8.7904 9.1867 9.1867 9.2801 9.2801 10.3734 10.3734 10.6850 10.6850 k =-0.4936 0.1958-0.0000 ( 3888 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8068 -14.8068 -14.5086 -14.5086 -14.4884 -14.4884 -14.4386 -14.4386 -14.4128 -14.4128 2.7370 2.7370 2.7678 2.7678 2.8239 2.8239 3.0129 3.0129 3.2493 3.2493 3.4033 3.4033 3.6496 3.6496 3.6797 3.6797 3.8429 3.8429 3.9563 3.9563 4.0789 4.0789 4.3178 4.3178 8.7919 8.7919 9.1853 9.1853 9.2789 9.2789 10.3728 10.3728 10.6850 10.6850 k =-0.4872 0.2139-0.0000 ( 3884 PWs) bands (ev): -33.5984 -33.5984 -33.5767 -33.5767 -14.8754 -14.8754 -14.8069 -14.8069 -14.5086 -14.5086 -14.4885 -14.4885 -14.4385 -14.4385 -14.4129 -14.4129 2.7371 2.7371 2.7679 2.7679 2.8241 2.8241 3.0126 3.0126 3.2524 3.2524 3.4028 3.4028 3.6457 3.6457 3.6833 3.6833 3.8428 3.8428 3.9561 3.9561 4.0790 4.0790 4.3255 4.3255 8.7962 8.7962 9.1810 9.1810 9.2754 9.2754 10.3710 10.3710 10.6849 10.6849 k =-0.4807 0.2319-0.0000 ( 3868 PWs) bands (ev): -33.5984 -33.5984 -33.5767 -33.5767 -14.8753 -14.8753 -14.8072 -14.8072 -14.5084 -14.5084 -14.4886 -14.4886 -14.4385 -14.4385 -14.4132 -14.4132 2.7373 2.7373 2.7681 2.7681 2.8245 2.8245 3.0121 3.0121 3.2574 3.2574 3.4020 3.4020 3.6405 3.6405 3.6882 3.6882 3.8426 3.8426 3.9560 3.9560 4.0793 4.0793 4.3381 4.3381 8.8033 8.8033 9.1738 9.1738 9.2697 9.2697 10.3680 10.3680 10.6845 10.6845 k =-0.4743 0.2500-0.0000 ( 3868 PWs) bands (ev): -33.5983 -33.5983 -33.5768 -33.5768 -14.8752 -14.8752 -14.8076 -14.8076 -14.5082 -14.5082 -14.4889 -14.4889 -14.4386 -14.4386 -14.4137 -14.4137 2.7375 2.7375 2.7683 2.7683 2.8250 2.8250 3.0114 3.0114 3.2643 3.2643 3.4008 3.4008 3.6349 3.6349 3.6938 3.6938 3.8423 3.8423 3.9556 3.9556 4.0800 4.0800 4.3555 4.3555 8.8131 8.8131 9.1635 9.1635 9.2617 9.2617 10.3638 10.3638 10.6838 10.6838 k =-0.4679 0.2681-0.0000 ( 3882 PWs) bands (ev): -33.5982 -33.5982 -33.5768 -33.5768 -14.8752 -14.8752 -14.8081 -14.8081 -14.5081 -14.5081 -14.4893 -14.4893 -14.4386 -14.4386 -14.4143 -14.4143 2.7377 2.7377 2.7686 2.7686 2.8255 2.8255 3.0105 3.0105 3.2729 3.2729 3.3994 3.3994 3.6290 3.6290 3.6997 3.6997 3.8419 3.8419 3.9552 3.9552 4.0810 4.0810 4.3773 4.3773 8.8252 8.8252 9.1499 9.1499 9.2518 9.2518 10.3584 10.3584 10.6821 10.6821 k =-0.4615 0.2862-0.0000 ( 3884 PWs) bands (ev): -33.5980 -33.5980 -33.5769 -33.5769 -14.8751 -14.8751 -14.8088 -14.8088 -14.5079 -14.5079 -14.4897 -14.4897 -14.4386 -14.4386 -14.4149 -14.4149 2.7380 2.7380 2.7689 2.7689 2.8262 2.8262 3.0094 3.0094 3.2828 3.2828 3.3978 3.3978 3.6235 3.6235 3.7062 3.7062 3.8415 3.8415 3.9547 3.9547 4.0828 4.0828 4.4034 4.4034 8.8393 8.8393 9.1328 9.1328 9.2400 9.2400 10.3517 10.3517 10.6792 10.6792 k =-0.4550 0.3042-0.0000 ( 3880 PWs) bands (ev): -33.5978 -33.5978 -33.5769 -33.5769 -14.8750 -14.8750 -14.8095 -14.8095 -14.5076 -14.5076 -14.4901 -14.4901 -14.4387 -14.4387 -14.4157 -14.4157 2.7383 2.7383 2.7693 2.7693 2.8271 2.8271 3.0081 3.0081 3.2938 3.2938 3.3961 3.3961 3.6185 3.6185 3.7130 3.7130 3.8410 3.8410 3.9540 3.9540 4.0853 4.0853 4.4333 4.4333 8.8545 8.8545 9.1124 9.1124 9.2267 9.2267 10.3438 10.3438 10.6745 10.6745 k =-0.4486 0.3223-0.0000 ( 3864 PWs) bands (ev): -33.5976 -33.5976 -33.5770 -33.5770 -14.8749 -14.8749 -14.8103 -14.8103 -14.5073 -14.5073 -14.4906 -14.4906 -14.4387 -14.4387 -14.4165 -14.4165 2.7387 2.7387 2.7698 2.7698 2.8281 2.8281 3.0066 3.0066 3.3054 3.3054 3.3946 3.3946 3.6145 3.6145 3.7203 3.7203 3.8406 3.8406 3.9533 3.9533 4.0888 4.0888 4.4671 4.4671 8.8693 8.8693 9.0893 9.0893 9.2123 9.2123 10.3347 10.3347 10.6672 10.6672 k =-0.4422 0.3404-0.0000 ( 3872 PWs) bands (ev): -33.5974 -33.5974 -33.5771 -33.5771 -14.8749 -14.8749 -14.8112 -14.8112 -14.5071 -14.5071 -14.4912 -14.4912 -14.4388 -14.4388 -14.4174 -14.4174 2.7391 2.7391 2.7702 2.7702 2.8292 2.8292 3.0049 3.0049 3.3168 3.3168 3.3933 3.3933 3.6119 3.6119 3.7279 3.7279 3.8402 3.8402 3.9525 3.9525 4.0934 4.0934 4.5044 4.5044 8.8799 8.8799 9.0662 9.0662 9.1972 9.1972 10.3243 10.3243 10.6564 10.6564 k =-0.4358 0.3585-0.0000 ( 3868 PWs) bands (ev): -33.5972 -33.5972 -33.5772 -33.5772 -14.8747 -14.8747 -14.8122 -14.8122 -14.5068 -14.5068 -14.4918 -14.4918 -14.4389 -14.4389 -14.4184 -14.4184 2.7395 2.7395 2.7706 2.7706 2.8304 2.8304 3.0030 3.0030 3.3272 3.3272 3.3928 3.3928 3.6110 3.6110 3.7361 3.7361 3.8398 3.8398 3.9516 3.9516 4.0993 4.0993 4.5451 4.5451 8.8792 8.8792 9.0489 9.0489 9.1821 9.1821 10.3128 10.3128 10.6414 10.6414 k =-0.4293 0.3765-0.0000 ( 3866 PWs) bands (ev): -33.5969 -33.5969 -33.5773 -33.5773 -14.8746 -14.8746 -14.8133 -14.8133 -14.5065 -14.5065 -14.4924 -14.4924 -14.4390 -14.4390 -14.4195 -14.4195 2.7399 2.7399 2.7709 2.7709 2.8317 2.8317 3.0008 3.0008 3.3356 3.3356 3.3934 3.3934 3.6124 3.6124 3.7447 3.7447 3.8394 3.8394 3.9506 3.9506 4.1066 4.1066 4.5891 4.5891 8.8584 8.8584 9.0447 9.0447 9.1683 9.1683 10.3001 10.3001 10.6211 10.6211 k =-0.4229 0.3946-0.0000 ( 3862 PWs) bands (ev): -33.5966 -33.5966 -33.5774 -33.5774 -14.8744 -14.8744 -14.8145 -14.8145 -14.5062 -14.5062 -14.4929 -14.4929 -14.4392 -14.4392 -14.4206 -14.4206 2.7403 2.7403 2.7713 2.7713 2.8332 2.8332 2.9985 2.9985 3.3411 3.3411 3.3955 3.3955 3.6165 3.6165 3.7538 3.7538 3.8391 3.8391 3.9495 3.9495 4.1156 4.1156 4.6362 4.6362 8.8155 8.8155 9.0525 9.0525 9.1583 9.1583 10.2863 10.2863 10.5938 10.5939 k =-0.4165 0.4127-0.0000 ( 3870 PWs) bands (ev): -33.5963 -33.5963 -33.5776 -33.5776 -14.8743 -14.8743 -14.8158 -14.8158 -14.5060 -14.5060 -14.4934 -14.4934 -14.4395 -14.4395 -14.4218 -14.4218 2.7407 2.7407 2.7716 2.7716 2.8346 2.8346 2.9959 2.9959 3.3435 3.3435 3.3986 3.3986 3.6236 3.6236 3.7633 3.7633 3.8389 3.8389 3.9483 3.9483 4.1265 4.1265 4.6864 4.6864 8.7551 8.7551 9.0622 9.0622 9.1574 9.1574 10.2714 10.2714 10.5502 10.5503 k =-0.4101 0.4308-0.0000 ( 3874 PWs) bands (ev): -33.5960 -33.5960 -33.5777 -33.5777 -14.8741 -14.8741 -14.8172 -14.8172 -14.5058 -14.5058 -14.4939 -14.4939 -14.4398 -14.4398 -14.4231 -14.4231 2.7411 2.7411 2.7718 2.7718 2.8361 2.8361 2.9931 2.9931 3.3433 3.3433 3.4020 3.4020 3.6336 3.6336 3.7733 3.7733 3.8388 3.8388 3.9471 3.9471 4.1398 4.1398 4.7396 4.7396 8.6812 8.6812 9.0633 9.0633 9.1723 9.1723 10.2556 10.2556 10.4979 10.4979 k =-0.4036 0.4488-0.0000 ( 3874 PWs) bands (ev): -33.5956 -33.5956 -33.5778 -33.5778 -14.8739 -14.8739 -14.8187 -14.8187 -14.5056 -14.5056 -14.4944 -14.4944 -14.4401 -14.4401 -14.4243 -14.4243 2.7414 2.7414 2.7720 2.7720 2.8377 2.8377 2.9902 2.9902 3.3414 3.3414 3.4048 3.4048 3.6463 3.6463 3.7837 3.7837 3.8389 3.8389 3.9458 3.9458 4.1557 4.1557 4.7957 4.7957 8.5962 8.5962 9.0549 9.0549 9.2016 9.2016 10.2390 10.2390 10.4464 10.4464 k =-0.3972 0.4669-0.0000 ( 3866 PWs) bands (ev): -33.5952 -33.5952 -33.5780 -33.5780 -14.8737 -14.8737 -14.8202 -14.8202 -14.5055 -14.5055 -14.4947 -14.4947 -14.4405 -14.4405 -14.4255 -14.4255 2.7418 2.7418 2.7722 2.7722 2.8394 2.8394 2.9871 2.9871 3.3383 3.3383 3.4066 3.4066 3.6610 3.6610 3.7944 3.7944 3.8394 3.8394 3.9445 3.9445 4.1747 4.1747 4.8547 4.8547 8.5016 8.5016 9.0417 9.0417 9.2399 9.2399 10.2217 10.2217 10.3969 10.3969 k =-0.3908 0.4850-0.0000 ( 3866 PWs) bands (ev): -33.5949 -33.5949 -33.5782 -33.5782 -14.8734 -14.8734 -14.8218 -14.8218 -14.5055 -14.5055 -14.4950 -14.4950 -14.4409 -14.4409 -14.4267 -14.4267 2.7421 2.7421 2.7722 2.7722 2.8411 2.8411 2.9838 2.9838 3.3344 3.3344 3.4073 3.4073 3.6771 3.6771 3.8053 3.8053 3.8401 3.8401 3.9431 3.9431 4.1971 4.1971 4.9164 4.9164 8.3986 8.3986 9.0264 9.0264 9.2839 9.2839 10.2038 10.2038 10.3498 10.3498 k =-0.3844 0.5031-0.0000 ( 3866 PWs) bands (ev): -33.5945 -33.5945 -33.5784 -33.5784 -14.8732 -14.8732 -14.8234 -14.8234 -14.5055 -14.5055 -14.4952 -14.4952 -14.4414 -14.4414 -14.4279 -14.4279 2.7424 2.7424 2.7721 2.7721 2.8428 2.8428 2.9804 2.9804 3.3301 3.3301 3.4070 3.4070 3.6935 3.6935 3.8164 3.8164 3.8414 3.8414 3.9417 3.9417 4.2234 4.2234 4.9809 4.9809 8.2883 8.2883 9.0105 9.0105 9.3318 9.3318 10.1855 10.1855 10.3045 10.3045 k =-0.3779 0.5211-0.0000 ( 3866 PWs) bands (ev): -33.5941 -33.5941 -33.5786 -33.5786 -14.8728 -14.8728 -14.8251 -14.8251 -14.5056 -14.5056 -14.4953 -14.4953 -14.4419 -14.4419 -14.4291 -14.4291 2.7427 2.7427 2.7720 2.7720 2.8445 2.8445 2.9768 2.9768 3.3254 3.3254 3.4060 3.4060 3.7094 3.7094 3.8272 3.8272 3.8435 3.8435 3.9403 3.9403 4.2540 4.2540 5.0480 5.0480 8.1719 8.1719 8.9945 8.9945 9.3830 9.3830 10.1668 10.1668 10.2392 10.2392 k =-0.3715 0.5392-0.0000 ( 3864 PWs) bands (ev): -33.5936 -33.5936 -33.5788 -33.5788 -14.8725 -14.8725 -14.8269 -14.8269 -14.5057 -14.5057 -14.4954 -14.4954 -14.4425 -14.4425 -14.4302 -14.4302 2.7430 2.7430 2.7717 2.7717 2.8461 2.8461 2.9732 2.9732 3.3206 3.3206 3.4046 3.4046 3.7241 3.7241 3.8366 3.8366 3.8476 3.8476 3.9391 3.9391 4.2890 4.2890 5.1178 5.1178 8.0502 8.0502 8.9788 8.9788 9.4369 9.4369 10.1478 10.1478 10.1669 10.1669 k =-0.3651 0.5573-0.0000 ( 3860 PWs) bands (ev): -33.5932 -33.5932 -33.5790 -33.5790 -14.8721 -14.8721 -14.8287 -14.8287 -14.5059 -14.5059 -14.4954 -14.4954 -14.4430 -14.4430 -14.4313 -14.4313 2.7432 2.7432 2.7714 2.7714 2.8478 2.8478 2.9695 2.9695 3.3156 3.3156 3.4028 3.4028 3.7372 3.7372 3.8428 3.8428 3.8556 3.8556 3.9379 3.9379 4.3285 4.3285 5.1901 5.1901 7.9244 7.9244 8.9637 8.9637 9.4931 9.4931 10.0899 10.0899 10.1297 10.1297 k =-0.3587 0.5754-0.0000 ( 3862 PWs) bands (ev): -33.5927 -33.5927 -33.5792 -33.5792 -14.8717 -14.8717 -14.8305 -14.8305 -14.5061 -14.5061 -14.4954 -14.4954 -14.4436 -14.4436 -14.4323 -14.4323 2.7434 2.7434 2.7709 2.7709 2.8494 2.8494 2.9658 2.9658 3.3105 3.3105 3.4009 3.4009 3.7483 3.7483 3.8470 3.8470 3.8659 3.8659 3.9368 3.9368 4.3726 4.3726 5.2648 5.2648 7.7954 7.7954 8.9494 8.9494 9.5514 9.5514 10.0103 10.0103 10.1111 10.1111 k =-0.3522 0.5934-0.0000 ( 3874 PWs) bands (ev): -33.5923 -33.5923 -33.5795 -33.5795 -14.8712 -14.8712 -14.8324 -14.8324 -14.5064 -14.5064 -14.4954 -14.4954 -14.4442 -14.4442 -14.4334 -14.4334 2.7436 2.7436 2.7703 2.7703 2.8509 2.8509 2.9621 2.9621 3.3055 3.3055 3.3989 3.3989 3.7573 3.7573 3.8510 3.8510 3.8766 3.8766 3.9358 3.9358 4.4211 4.4211 5.3420 5.3420 7.6642 7.6642 8.9359 8.9359 9.6112 9.6112 9.9279 9.9279 10.0928 10.0928 k =-0.3458 0.6115-0.0000 ( 3874 PWs) bands (ev): -33.5918 -33.5918 -33.5798 -33.5798 -14.8707 -14.8707 -14.8343 -14.8343 -14.5066 -14.5066 -14.4955 -14.4955 -14.4447 -14.4447 -14.4343 -14.4343 2.7438 2.7438 2.7697 2.7697 2.8523 2.8523 2.9584 2.9584 3.3006 3.3006 3.3970 3.3970 3.7645 3.7645 3.8552 3.8552 3.8870 3.8870 3.9353 3.9353 4.4736 4.4736 5.4216 5.4216 7.5314 7.5314 8.9234 8.9234 9.6716 9.6716 9.8443 9.8443 10.0724 10.0724 k =-0.3394 0.6296-0.0000 ( 3872 PWs) bands (ev): -33.5913 -33.5913 -33.5801 -33.5801 -14.8702 -14.8702 -14.8361 -14.8361 -14.5068 -14.5068 -14.4955 -14.4955 -14.4452 -14.4452 -14.4353 -14.4353 2.7440 2.7440 2.7689 2.7689 2.8536 2.8536 2.9548 2.9548 3.2958 3.2958 3.3953 3.3953 3.7698 3.7698 3.8596 3.8596 3.8967 3.8967 3.9355 3.9355 4.5299 4.5299 5.5034 5.5034 7.3980 7.3980 8.9119 8.9119 9.7191 9.7191 9.7725 9.7725 10.0377 10.0377 k =-0.3330 0.6477-0.0000 ( 3872 PWs) bands (ev): -33.5908 -33.5908 -33.5803 -33.5803 -14.8696 -14.8696 -14.8380 -14.8380 -14.5069 -14.5069 -14.4956 -14.4956 -14.4457 -14.4457 -14.4361 -14.4361 2.7441 2.7441 2.7681 2.7681 2.8547 2.8547 2.9514 2.9514 3.2912 3.2912 3.3937 3.3937 3.7738 3.7738 3.8641 3.8641 3.9049 3.9049 3.9368 3.9368 4.5895 4.5895 5.5874 5.5874 7.2647 7.2647 8.9015 8.9015 9.6588 9.6588 9.8070 9.8070 10.0040 10.0040 k =-0.3265 0.6658-0.0000 ( 3872 PWs) bands (ev): -33.5904 -33.5904 -33.5807 -33.5807 -14.8689 -14.8689 -14.8399 -14.8399 -14.5070 -14.5070 -14.4958 -14.4958 -14.4460 -14.4460 -14.4370 -14.4370 2.7442 2.7442 2.7672 2.7672 2.8558 2.8558 2.9480 2.9480 3.2868 3.2868 3.3924 3.3924 3.7766 3.7766 3.8685 3.8685 3.9110 3.9110 3.9399 3.9399 4.6517 4.6517 5.6735 5.6735 7.1323 7.1323 8.8923 8.8923 9.5705 9.5705 9.8649 9.8649 9.9749 9.9749 k =-0.3201 0.6838-0.0000 ( 3872 PWs) bands (ev): -33.5899 -33.5899 -33.5810 -33.5810 -14.8682 -14.8682 -14.8418 -14.8418 -14.5071 -14.5071 -14.4960 -14.4960 -14.4463 -14.4463 -14.4379 -14.4379 2.7443 2.7443 2.7662 2.7662 2.8566 2.8566 2.9449 2.9449 3.2827 3.2827 3.3913 3.3913 3.7785 3.7785 3.8728 3.8728 3.9146 3.9146 3.9449 3.9449 4.7161 4.7161 5.7615 5.7615 7.0015 7.0015 8.8842 8.8842 9.4794 9.4794 9.8966 9.8966 9.9738 9.9738 k =-0.3137 0.7019-0.0000 ( 3874 PWs) bands (ev): -33.5894 -33.5894 -33.5813 -33.5813 -14.8674 -14.8674 -14.8437 -14.8437 -14.5071 -14.5071 -14.4963 -14.4963 -14.4465 -14.4465 -14.4387 -14.4387 2.7443 2.7443 2.7651 2.7651 2.8573 2.8573 2.9420 2.9420 3.2789 3.2789 3.3905 3.3905 3.7797 3.7797 3.8768 3.8768 3.9164 3.9164 3.9515 3.9515 4.7817 4.7817 5.8513 5.8513 6.8734 6.8734 8.8775 8.8775 9.3873 9.3873 9.8774 9.8774 9.9961 9.9961 k =-0.3073 0.7200-0.0000 ( 3878 PWs) bands (ev): -33.5889 -33.5889 -33.5816 -33.5816 -14.8666 -14.8666 -14.8456 -14.8456 -14.5071 -14.5071 -14.4967 -14.4967 -14.4466 -14.4466 -14.4395 -14.4395 2.7443 2.7443 2.7639 2.7639 2.8577 2.8577 2.9393 2.9393 3.2754 3.2754 3.3900 3.3900 3.7804 3.7804 3.8805 3.8805 3.9171 3.9171 3.9585 3.9585 4.8477 4.8477 5.9429 5.9429 6.7490 6.7490 8.8719 8.8719 9.2948 9.2948 9.8446 9.8446 9.9854 9.9854 k =-0.3008 0.7381-0.0000 ( 3888 PWs) bands (ev): -33.5884 -33.5884 -33.5820 -33.5820 -14.8658 -14.8658 -14.8474 -14.8474 -14.5070 -14.5070 -14.4971 -14.4971 -14.4467 -14.4467 -14.4402 -14.4402 2.7442 2.7442 2.7626 2.7626 2.8579 2.8579 2.9368 2.9368 3.2722 3.2722 3.3898 3.3898 3.7806 3.7806 3.8839 3.8839 3.9172 3.9172 3.9655 3.9655 4.9126 4.9126 6.0360 6.0360 6.6297 6.6297 8.8674 8.8674 9.2022 9.2022 9.8090 9.8090 9.9747 9.9747 k =-0.2944 0.7561-0.0000 ( 3884 PWs) bands (ev): -33.5879 -33.5879 -33.5824 -33.5824 -14.8648 -14.8648 -14.8492 -14.8492 -14.5069 -14.5069 -14.4976 -14.4976 -14.4466 -14.4466 -14.4409 -14.4409 2.7442 2.7442 2.7613 2.7613 2.8579 2.8579 2.9347 2.9347 3.2695 3.2695 3.3899 3.3899 3.7805 3.7805 3.8871 3.8871 3.9172 3.9172 3.9722 3.9722 4.9749 4.9749 6.1305 6.1305 6.5172 6.5172 8.8638 8.8638 9.1104 9.1104 9.7722 9.7722 9.9652 9.9652 k =-0.2880 0.7742-0.0000 ( 3884 PWs) bands (ev): -33.5874 -33.5874 -33.5828 -33.5828 -14.8638 -14.8638 -14.8509 -14.8509 -14.5067 -14.5067 -14.4981 -14.4981 -14.4465 -14.4465 -14.4415 -14.4415 2.7441 2.7441 2.7599 2.7599 2.8576 2.8576 2.9329 2.9329 3.2672 3.2672 3.3902 3.3902 3.7801 3.7801 3.8899 3.8899 3.9172 3.9172 3.9782 3.9782 5.0321 5.0321 6.2260 6.2260 6.4141 6.4141 8.8602 8.8602 9.0204 9.0204 9.7347 9.7347 9.9572 9.9572 k =-0.2816 0.7923-0.0000 ( 3878 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8627 -14.8627 -14.8526 -14.8526 -14.5065 -14.5065 -14.4987 -14.4987 -14.4464 -14.4464 -14.4419 -14.4419 2.7439 2.7439 2.7584 2.7584 2.8570 2.8570 2.9315 2.9315 3.2653 3.2653 3.3908 3.3908 3.7796 3.7796 3.8924 3.8924 3.9174 3.9174 3.9835 3.9835 5.0809 5.0809 6.3167 6.3167 6.3294 6.3294 8.8516 8.8516 8.9376 8.9376 9.6968 9.6968 9.9506 9.9506 k =-0.2816 0.7923-0.0000 ( 3878 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8627 -14.8627 -14.8526 -14.8526 -14.5065 -14.5065 -14.4987 -14.4987 -14.4464 -14.4464 -14.4419 -14.4419 2.7439 2.7439 2.7584 2.7584 2.8570 2.8570 2.9315 2.9315 3.2653 3.2653 3.3908 3.3908 3.7796 3.7796 3.8924 3.8924 3.9174 3.9174 3.9835 3.9835 5.0809 5.0809 6.3167 6.3167 6.3294 6.3294 8.8516 8.8516 8.9376 8.9376 9.6968 9.6968 9.9506 9.9506 k =-0.2816 0.7923 0.0193 ( 3882 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8628 -14.8628 -14.8526 -14.8526 -14.5068 -14.5068 -14.4983 -14.4983 -14.4468 -14.4468 -14.4416 -14.4416 2.7413 2.7413 2.7612 2.7612 2.8575 2.8575 2.9313 2.9313 3.2647 3.2647 3.3921 3.3921 3.7789 3.7789 3.8878 3.8878 3.9220 3.9220 3.9837 3.9837 5.0816 5.0816 6.3180 6.3180 6.3310 6.3310 8.8423 8.8423 8.9440 8.9440 9.6959 9.6959 9.9422 9.9422 k =-0.2816 0.7923 0.0385 ( 3879 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8628 -14.8628 -14.8526 -14.8526 -14.5076 -14.5076 -14.4974 -14.4974 -14.4478 -14.4478 -14.4407 -14.4407 2.7361 2.7361 2.7669 2.7669 2.8588 2.8588 2.9307 2.9307 3.2630 3.2630 3.3958 3.3958 3.7770 3.7770 3.8787 3.8787 3.9314 3.9314 3.9841 3.9841 5.0837 5.0837 6.3216 6.3216 6.3359 6.3359 8.8198 8.8198 8.9579 8.9579 9.6931 9.6931 9.9185 9.9185 k =-0.2816 0.7923 0.0578 ( 3869 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8628 -14.8628 -14.8527 -14.8527 -14.5086 -14.5086 -14.4961 -14.4961 -14.4491 -14.4491 -14.4397 -14.4397 2.7306 2.7306 2.7735 2.7735 2.8610 2.8610 2.9298 2.9298 3.2606 3.2606 3.4017 3.4017 3.7739 3.7739 3.8686 3.8686 3.9419 3.9419 3.9850 3.9850 5.0873 5.0873 6.3269 6.3269 6.3448 6.3448 8.7901 8.7901 8.9731 8.9731 9.6884 9.6884 9.8834 9.8834 k =-0.2816 0.7923 0.0771 ( 3867 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8628 -14.8628 -14.8528 -14.8528 -14.5098 -14.5098 -14.4947 -14.4947 -14.4505 -14.4505 -14.4387 -14.4387 2.7252 2.7252 2.7802 2.7802 2.8639 2.8639 2.9285 2.9285 3.2576 3.2576 3.4094 3.4094 3.7696 3.7696 3.8584 3.8584 3.9523 3.9523 3.9862 3.9862 5.0923 5.0923 6.3335 6.3335 6.3580 6.3580 8.7559 8.7559 8.9871 8.9871 9.6815 9.6815 9.8407 9.8407 k =-0.2816 0.7923 0.0963 ( 3866 PWs) bands (ev): -33.5869 -33.5869 -33.5832 -33.5832 -14.8629 -14.8629 -14.8528 -14.8528 -14.5110 -14.5110 -14.4931 -14.4931 -14.4520 -14.4520 -14.4377 -14.4377 2.7202 2.7202 2.7869 2.7869 2.8675 2.8675 2.9271 2.9271 3.2544 3.2544 3.4185 3.4185 3.7642 3.7642 3.8485 3.8485 3.9622 3.9622 3.9882 3.9882 5.0988 5.0988 6.3413 6.3413 6.3754 6.3754 8.7183 8.7183 8.9987 8.9987 9.6714 9.6714 9.7941 9.7941 k =-0.2816 0.7923 0.1156 ( 3866 PWs) bands (ev): -33.5868 -33.5868 -33.5832 -33.5832 -14.8629 -14.8629 -14.8529 -14.8529 -14.5122 -14.5122 -14.4915 -14.4915 -14.4536 -14.4536 -14.4367 -14.4367 2.7155 2.7155 2.7934 2.7934 2.8715 2.8715 2.9257 2.9257 3.2513 3.2513 3.4287 3.4287 3.7579 3.7579 3.8390 3.8390 3.9707 3.9707 3.9916 3.9916 5.1068 5.1068 6.3505 6.3505 6.3969 6.3969 8.6777 8.6777 9.0074 9.0074 9.6557 9.6557 9.7479 9.7479 k =-0.2816 0.7923 0.1349 ( 3866 PWs) bands (ev): -33.5868 -33.5868 -33.5832 -33.5832 -14.8630 -14.8630 -14.8531 -14.8531 -14.5134 -14.5134 -14.4898 -14.4898 -14.4552 -14.4552 -14.4358 -14.4358 2.7114 2.7114 2.7997 2.7997 2.8755 2.8755 2.9246 2.9246 3.2485 3.2485 3.4395 3.4395 3.7509 3.7509 3.8300 3.8300 3.9769 3.9769 3.9969 3.9969 5.1165 5.1165 6.3611 6.3611 6.4223 6.4223 8.6345 8.6345 9.0131 9.0131 9.6284 9.6284 9.7095 9.7095 k =-0.2816 0.7923 0.1541 ( 3874 PWs) bands (ev): -33.5868 -33.5868 -33.5832 -33.5832 -14.8631 -14.8631 -14.8533 -14.8533 -14.5146 -14.5146 -14.4881 -14.4881 -14.4569 -14.4569 -14.4350 -14.4350 2.7078 2.7078 2.8057 2.8057 2.8792 2.8792 2.9243 2.9243 3.2461 3.2461 3.4507 3.4507 3.7433 3.7433 3.8214 3.8214 3.9809 3.9809 4.0041 4.0041 5.1278 5.1278 6.3730 6.3730 6.4514 6.4514 8.5888 8.5888 9.0155 9.0155 9.5848 9.5848 9.6842 9.6842 k =-0.2816 0.7923 0.1734 ( 3874 PWs) bands (ev): -33.5867 -33.5867 -33.5833 -33.5833 -14.8632 -14.8632 -14.8534 -14.8534 -14.5157 -14.5157 -14.4865 -14.4865 -14.4586 -14.4586 -14.4342 -14.4342 2.7049 2.7049 2.8114 2.8114 2.8820 2.8820 2.9250 2.9250 3.2444 3.2444 3.4621 3.4621 3.7354 3.7354 3.8132 3.8132 3.9837 3.9837 4.0123 4.0123 5.1409 5.1409 6.3863 6.3863 6.4841 6.4841 8.5408 8.5408 9.0146 9.0146 9.5304 9.5304 9.6675 9.6675 k =-0.2816 0.7923 0.1927 ( 3866 PWs) bands (ev): -33.5866 -33.5866 -33.5833 -33.5833 -14.8633 -14.8633 -14.8536 -14.8536 -14.5166 -14.5166 -14.4848 -14.4848 -14.4603 -14.4603 -14.4335 -14.4335 2.7025 2.7025 2.8167 2.8167 2.8838 2.8838 2.9271 2.9271 3.2435 3.2435 3.4734 3.4734 3.7275 3.7275 3.8056 3.8056 3.9859 3.9859 4.0207 4.0207 5.1558 5.1558 6.4008 6.4008 6.5203 6.5203 8.4907 8.4907 9.0104 9.0104 9.4708 9.4708 9.6542 9.6542 k =-0.2816 0.7923 0.2119 ( 3870 PWs) bands (ev): -33.5866 -33.5866 -33.5833 -33.5833 -14.8634 -14.8634 -14.8538 -14.8538 -14.5176 -14.5176 -14.4832 -14.4832 -14.4619 -14.4619 -14.4329 -14.4329 2.7007 2.7007 2.8216 2.8216 2.8843 2.8843 2.9304 2.9304 3.2433 3.2433 3.4842 3.4842 3.7198 3.7198 3.7983 3.7983 3.9879 3.9879 4.0287 4.0287 5.1726 5.1726 6.4164 6.4164 6.5599 6.5599 8.4387 8.4387 9.0028 9.0028 9.4085 9.4085 9.6424 9.6424 k =-0.2816 0.7923 0.2312 ( 3869 PWs) bands (ev): -33.5865 -33.5865 -33.5834 -33.5834 -14.8635 -14.8635 -14.8540 -14.8540 -14.5184 -14.5184 -14.4817 -14.4817 -14.4635 -14.4635 -14.4323 -14.4323 2.6996 2.6996 2.8261 2.8261 2.8838 2.8838 2.9346 2.9346 3.2440 3.2440 3.4943 3.4943 3.7126 3.7126 3.7914 3.7914 3.9898 3.9898 4.0362 4.0362 5.1914 5.1914 6.4330 6.4330 6.6027 6.6027 8.3849 8.3849 8.9919 8.9919 9.3445 9.3445 9.6313 9.6313 k =-0.2816 0.7923 0.2505 ( 3864 PWs) bands (ev): -33.5865 -33.5865 -33.5834 -33.5834 -14.8636 -14.8636 -14.8543 -14.8543 -14.5192 -14.5192 -14.4803 -14.4803 -14.4650 -14.4650 -14.4319 -14.4319 2.6991 2.6991 2.8300 2.8300 2.8829 2.8829 2.9393 2.9393 3.2457 3.2457 3.5036 3.5036 3.7062 3.7062 3.7849 3.7849 3.9917 3.9917 4.0432 4.0432 5.2122 5.2122 6.4504 6.4504 6.6486 6.6486 8.3296 8.3296 8.9778 8.9778 9.2795 9.2795 9.6209 9.6209 k =-0.2816 0.7923 0.2697 ( 3866 PWs) bands (ev): -33.5864 -33.5864 -33.5834 -33.5834 -14.8637 -14.8637 -14.8546 -14.8546 -14.5198 -14.5198 -14.4791 -14.4791 -14.4663 -14.4663 -14.4315 -14.4315 2.6992 2.6992 2.8333 2.8333 2.8817 2.8817 2.9440 2.9440 3.2484 3.2484 3.5115 3.5115 3.7008 3.7008 3.7788 3.7788 3.9937 3.9937 4.0494 4.0494 5.2352 5.2352 6.4684 6.4684 6.6974 6.6974 8.2732 8.2732 8.9604 8.9604 9.2138 9.2138 9.6111 9.6111 k =-0.2816 0.7923 0.2890 ( 3868 PWs) bands (ev): -33.5863 -33.5863 -33.5835 -33.5835 -14.8638 -14.8638 -14.8549 -14.8549 -14.5204 -14.5204 -14.4783 -14.4783 -14.4672 -14.4672 -14.4311 -14.4311 2.6999 2.6999 2.8360 2.8360 2.8805 2.8805 2.9483 2.9483 3.2522 3.2522 3.5180 3.5180 3.6967 3.6967 3.7732 3.7732 3.9957 3.9957 4.0550 4.0550 5.2605 5.2605 6.4865 6.4865 6.7490 6.7490 8.2160 8.2160 8.9397 8.9397 9.1476 9.1476 9.6020 9.6020 k =-0.2816 0.7923 0.3082 ( 3876 PWs) bands (ev): -33.5863 -33.5863 -33.5835 -33.5835 -14.8639 -14.8639 -14.8552 -14.8552 -14.5209 -14.5209 -14.4782 -14.4782 -14.4676 -14.4676 -14.4309 -14.4309 2.7012 2.7012 2.8380 2.8380 2.8795 2.8795 2.9521 2.9521 3.2570 3.2570 3.5228 3.5228 3.6941 3.6941 3.7680 3.7680 3.9977 3.9977 4.0598 4.0598 5.2881 5.2881 6.5046 6.5046 6.8032 6.8032 8.1585 8.1585 8.9159 8.9159 9.0813 9.0813 9.5938 9.5938 k =-0.2816 0.7923 0.3275 ( 3884 PWs) bands (ev): -33.5862 -33.5862 -33.5836 -33.5836 -14.8640 -14.8640 -14.8555 -14.8555 -14.5213 -14.5213 -14.4786 -14.4786 -14.4674 -14.4674 -14.4307 -14.4307 2.7032 2.7032 2.8394 2.8394 2.8786 2.8786 2.9552 2.9552 3.2628 3.2628 3.5257 3.5257 3.6931 3.6931 3.7633 3.7633 3.9997 3.9997 4.0638 4.0638 5.3180 5.3180 6.5221 6.5221 6.8599 6.8599 8.1013 8.1013 8.8886 8.8886 9.0153 9.0153 9.5865 9.5865 k =-0.2816 0.7923 0.3468 ( 3881 PWs) bands (ev): -33.5861 -33.5861 -33.5836 -33.5836 -14.8640 -14.8640 -14.8559 -14.8559 -14.5216 -14.5216 -14.4795 -14.4795 -14.4666 -14.4666 -14.4306 -14.4306 2.7057 2.7057 2.8402 2.8402 2.8780 2.8780 2.9575 2.9575 3.2697 3.2697 3.5269 3.5269 3.6935 3.6935 3.7591 3.7591 4.0019 4.0019 4.0671 4.0671 5.3504 5.3504 6.5384 6.5384 6.9188 6.9188 8.0451 8.0451 8.8575 8.8575 8.9502 8.9502 9.5802 9.5802 k =-0.2816 0.7923 0.3660 ( 3877 PWs) bands (ev): -33.5860 -33.5860 -33.5837 -33.5837 -14.8640 -14.8640 -14.8562 -14.8562 -14.5218 -14.5218 -14.4808 -14.4808 -14.4656 -14.4656 -14.4306 -14.4306 2.7087 2.7087 2.8407 2.8407 2.8775 2.8775 2.9589 2.9589 3.2775 3.2775 3.5265 3.5265 3.6953 3.6953 3.7554 3.7554 4.0042 4.0042 4.0697 4.0697 5.3852 5.3852 6.5530 6.5530 6.9798 6.9798 7.9908 7.9908 8.8214 8.8214 8.8875 8.8875 9.5751 9.5751 k =-0.2816 0.7923 0.3853 ( 3875 PWs) bands (ev): -33.5859 -33.5859 -33.5837 -33.5837 -14.8640 -14.8640 -14.8566 -14.8566 -14.5219 -14.5219 -14.4823 -14.4823 -14.4643 -14.4643 -14.4306 -14.4306 2.7123 2.7123 2.8408 2.8408 2.8769 2.8769 2.9595 2.9595 3.2860 3.2860 3.5246 3.5246 3.6981 3.6981 3.7522 3.7522 4.0065 4.0065 4.0716 4.0716 5.4224 5.4224 6.5651 6.5651 7.0428 7.0428 7.9392 7.9392 8.7773 8.7773 8.8302 8.8302 9.5713 9.5713 k =-0.2816 0.7923 0.4046 ( 3867 PWs) bands (ev): -33.5859 -33.5859 -33.5837 -33.5837 -14.8640 -14.8640 -14.8569 -14.8569 -14.5219 -14.5219 -14.4839 -14.4839 -14.4630 -14.4630 -14.4307 -14.4307 2.7165 2.7165 2.8407 2.8407 2.8763 2.8763 2.9594 2.9594 3.2953 3.2953 3.5215 3.5215 3.7017 3.7017 3.7495 3.7495 4.0089 4.0089 4.0729 4.0729 5.4622 5.4622 6.5737 6.5737 7.1075 7.1075 7.8916 7.8916 8.7233 8.7233 8.7805 8.7805 9.5688 9.5688 k =-0.2816 0.7923 0.4238 ( 3865 PWs) bands (ev): -33.5858 -33.5858 -33.5838 -33.5838 -14.8640 -14.8640 -14.8573 -14.8573 -14.5218 -14.5218 -14.4855 -14.4855 -14.4616 -14.4616 -14.4308 -14.4308 2.7210 2.7210 2.8403 2.8403 2.8754 2.8754 2.9585 2.9585 3.3052 3.3052 3.5176 3.5176 3.7057 3.7057 3.7473 3.7473 4.0113 4.0113 4.0735 4.0735 5.5044 5.5044 6.5779 6.5779 7.1736 7.1736 7.8489 7.8489 8.6628 8.6628 8.7352 8.7352 9.5679 9.5679 k =-0.2816 0.7923 0.4431 ( 3863 PWs) bands (ev): -33.5857 -33.5857 -33.5839 -33.5839 -14.8640 -14.8640 -14.8577 -14.8577 -14.5216 -14.5216 -14.4871 -14.4871 -14.4603 -14.4603 -14.4310 -14.4310 2.7260 2.7260 2.8399 2.8399 2.8743 2.8743 2.9570 2.9570 3.3154 3.3154 3.5130 3.5130 3.7099 3.7099 3.7455 3.7455 4.0138 4.0138 4.0735 4.0735 5.5490 5.5490 6.5768 6.5768 7.2410 7.2410 7.8124 7.8124 8.5999 8.5999 8.6903 8.6903 9.5686 9.5686 k =-0.2816 0.7923 0.4624 ( 3866 PWs) bands (ev): -33.5856 -33.5856 -33.5839 -33.5839 -14.8640 -14.8640 -14.8581 -14.8581 -14.5214 -14.5214 -14.4888 -14.4888 -14.4590 -14.4590 -14.4312 -14.4312 2.7314 2.7314 2.8392 2.8392 2.8730 2.8730 2.9550 2.9550 3.3260 3.3260 3.5079 3.5079 3.7139 3.7139 3.7442 3.7442 4.0163 4.0163 4.0730 4.0730 5.5960 5.5960 6.5695 6.5695 7.3094 7.3094 7.7832 7.7832 8.5365 8.5365 8.6442 8.6442 9.5710 9.5710 k =-0.2816 0.7923 0.4816 ( 3865 PWs) bands (ev): -33.5855 -33.5855 -33.5840 -33.5840 -14.8639 -14.8639 -14.8585 -14.8585 -14.5211 -14.5211 -14.4903 -14.4903 -14.4577 -14.4577 -14.4315 -14.4315 2.7372 2.7372 2.8382 2.8382 2.8717 2.8717 2.9526 2.9526 3.3366 3.3366 3.5025 3.5025 3.7178 3.7178 3.7433 3.7433 4.0189 4.0189 4.0720 4.0720 5.6452 5.6452 6.5553 6.5553 7.3785 7.3785 7.7622 7.7622 8.4736 8.4736 8.5962 8.5962 9.5752 9.5752 k =-0.2816 0.7923 0.5009 ( 3867 PWs) bands (ev): -33.5854 -33.5854 -33.5841 -33.5841 -14.8638 -14.8638 -14.8589 -14.8589 -14.5208 -14.5208 -14.4918 -14.4918 -14.4565 -14.4565 -14.4319 -14.4319 2.7432 2.7432 2.8368 2.8368 2.8705 2.8705 2.9498 2.9498 3.3472 3.3472 3.4968 3.4968 3.7213 3.7213 3.7427 3.7427 4.0215 4.0215 4.0707 4.0707 5.6966 5.6966 6.5338 6.5338 7.4478 7.4478 7.7500 7.7500 8.4116 8.4116 8.5461 8.5461 9.5812 9.5812 k =-0.2816 0.7923 0.5202 ( 3869 PWs) bands (ev): -33.5853 -33.5853 -33.5841 -33.5841 -14.8637 -14.8637 -14.8592 -14.8592 -14.5204 -14.5204 -14.4933 -14.4933 -14.4554 -14.4554 -14.4322 -14.4322 2.7495 2.7495 2.8347 2.8347 2.8696 2.8696 2.9469 2.9469 3.3576 3.3576 3.4911 3.4911 3.7243 3.7243 3.7425 3.7425 4.0242 4.0242 4.0690 4.0690 5.7499 5.7499 6.5051 6.5051 7.5169 7.5169 7.7467 7.7467 8.3511 8.3511 8.4939 8.4939 9.5892 9.5892 k =-0.2816 0.7923 0.5394 ( 3865 PWs) bands (ev): -33.5852 -33.5852 -33.5842 -33.5842 -14.8636 -14.8636 -14.8596 -14.8596 -14.5199 -14.5199 -14.4946 -14.4946 -14.4543 -14.4543 -14.4325 -14.4325 2.7560 2.7560 2.8320 2.8320 2.8690 2.8690 2.9439 2.9439 3.3677 3.3677 3.4852 3.4852 3.7268 3.7268 3.7426 3.7426 4.0268 4.0268 4.0671 4.0671 5.8051 5.8051 6.4695 6.4695 7.5851 7.5851 7.7523 7.7523 8.2927 8.2927 8.4397 8.4397 9.5992 9.5992 k =-0.2816 0.7923 0.5587 ( 3865 PWs) bands (ev): -33.5851 -33.5851 -33.5843 -33.5843 -14.8635 -14.8635 -14.8599 -14.8599 -14.5195 -14.5195 -14.4958 -14.4958 -14.4534 -14.4534 -14.4329 -14.4329 2.7625 2.7625 2.8286 2.8286 2.8688 2.8688 2.9411 2.9411 3.3773 3.3773 3.4794 3.4794 3.7289 3.7289 3.7429 3.7429 4.0294 4.0294 4.0650 4.0650 5.8619 5.8619 6.4277 6.4277 7.6511 7.6511 7.7666 7.7666 8.2370 8.2370 8.3838 8.3838 9.6113 9.6113 k =-0.2816 0.7923 0.5780 ( 3865 PWs) bands (ev): -33.5850 -33.5850 -33.5844 -33.5844 -14.8634 -14.8634 -14.8602 -14.8602 -14.5191 -14.5191 -14.4968 -14.4968 -14.4526 -14.4526 -14.4332 -14.4332 2.7691 2.7691 2.8245 2.8245 2.8690 2.8690 2.9384 2.9384 3.3862 3.3862 3.4738 3.4738 3.7305 3.7305 3.7432 3.7432 4.0319 4.0319 4.0629 4.0629 5.9200 5.9200 6.3806 6.3806 7.7124 7.7124 7.7896 7.7896 8.1854 8.1854 8.3266 8.3266 9.6254 9.6254 k =-0.2816 0.7923 0.5972 ( 3871 PWs) bands (ev): -33.5850 -33.5850 -33.5844 -33.5844 -14.8633 -14.8633 -14.8605 -14.8605 -14.5188 -14.5188 -14.4977 -14.4977 -14.4519 -14.4519 -14.4335 -14.4335 2.7754 2.7754 2.8199 2.8199 2.8693 2.8693 2.9361 2.9361 3.3941 3.3941 3.4684 3.4684 3.7317 3.7317 3.7435 3.7435 4.0342 4.0342 4.0608 4.0608 5.9792 5.9792 6.3293 6.3293 7.7646 7.7646 7.8220 7.8220 8.1403 8.1403 8.2689 8.2689 9.6417 9.6417 k =-0.2816 0.7923 0.6165 ( 3868 PWs) bands (ev): -33.5849 -33.5849 -33.5845 -33.5845 -14.8631 -14.8631 -14.8607 -14.8607 -14.5185 -14.5185 -14.4983 -14.4983 -14.4514 -14.4514 -14.4337 -14.4337 2.7814 2.7814 2.8153 2.8153 2.8698 2.8698 2.9343 2.9343 3.4006 3.4006 3.4639 3.4639 3.7325 3.7325 3.7438 3.7438 4.0362 4.0362 4.0589 4.0589 6.0389 6.0389 6.2746 6.2746 7.8045 7.8045 7.8596 7.8596 8.1071 8.1071 8.2120 8.2120 9.6597 9.6597 k =-0.2816 0.7923 0.6358 ( 3872 PWs) bands (ev): -33.5848 -33.5848 -33.5846 -33.5846 -14.8631 -14.8631 -14.8608 -14.8608 -14.5183 -14.5183 -14.4987 -14.4987 -14.4511 -14.4511 -14.4339 -14.4339 2.7861 2.7861 2.8113 2.8113 2.8701 2.8701 2.9332 2.9332 3.4050 3.4050 3.4606 3.4606 3.7330 3.7330 3.7440 3.7440 4.0375 4.0375 4.0576 4.0576 6.0989 6.0989 6.2175 6.2175 7.8330 7.8330 7.8877 7.8877 8.0960 8.0960 8.1591 8.1591 9.6785 9.6785 k =-0.2816 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8609 -14.8609 -14.5182 -14.5182 -14.4989 -14.4989 -14.4510 -14.4510 -14.4339 -14.4339 2.7881 2.7881 2.8095 2.8095 2.8702 2.8702 2.9328 2.9328 3.4066 3.4066 3.4594 3.4594 3.7332 3.7332 3.7441 3.7441 4.0380 4.0380 4.0572 4.0572 6.1556 6.1556 6.1617 6.1617 7.8448 7.8448 7.8963 7.8963 8.1107 8.1107 8.1216 8.1216 9.6901 9.6901 k =-0.2816 0.7923 0.6550 ( 3870 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8609 -14.8609 -14.5182 -14.5182 -14.4989 -14.4989 -14.4510 -14.4510 -14.4339 -14.4339 2.7881 2.7881 2.8095 2.8095 2.8702 2.8702 2.9328 2.9328 3.4066 3.4066 3.4594 3.4594 3.7332 3.7332 3.7441 3.7441 4.0380 4.0380 4.0572 4.0572 6.1556 6.1556 6.1617 6.1617 7.8448 7.8448 7.8963 7.8963 8.1107 8.1107 8.1216 8.1216 9.6901 9.6901 k =-0.2880 0.7742 0.6550 ( 3866 PWs) bands (ev): -33.5847 -33.5847 -33.5847 -33.5847 -14.8630 -14.8630 -14.8604 -14.8604 -14.5191 -14.5191 -14.4970 -14.4970 -14.4523 -14.4523 -14.4328 -14.4328 2.7886 2.7886 2.8094 2.8094 2.8717 2.8717 2.9342 2.9342 3.4068 3.4068 3.4604 3.4604 3.7337 3.7337 3.7446 3.7446 4.0326 4.0326 4.0516 4.0516 6.1438 6.1438 6.1514 6.1514 7.7887 7.7887 7.8304 7.8304 8.1511 8.1511 8.1521 8.1521 9.7290 9.7290 k =-0.2944 0.7561 0.6550 ( 3866 PWs) bands (ev): -33.5848 -33.5848 -33.5848 -33.5848 -14.8629 -14.8629 -14.8600 -14.8600 -14.5200 -14.5200 -14.4951 -14.4951 -14.4535 -14.4535 -14.4316 -14.4316 2.7891 2.7891 2.8093 2.8093 2.8737 2.8737 2.9358 2.9358 3.4067 3.4067 3.4613 3.4613 3.7344 3.7344 3.7452 3.7452 4.0263 4.0263 4.0452 4.0452 6.1265 6.1265 6.1355 6.1355 7.7279 7.7279 7.7627 7.7627 8.1926 8.1926 8.2022 8.2022 9.7703 9.7703 k =-0.3008 0.7381 0.6550 ( 3874 PWs) bands (ev): -33.5848 -33.5848 -33.5848 -33.5848 -14.8628 -14.8628 -14.8595 -14.8595 -14.5207 -14.5207 -14.4932 -14.4932 -14.4548 -14.4548 -14.4306 -14.4306 2.7896 2.7896 2.8090 2.8090 2.8760 2.8760 2.9378 2.9378 3.4066 3.4066 3.4621 3.4621 3.7352 3.7352 3.7457 3.7457 4.0192 4.0192 4.0380 4.0380 6.1045 6.1045 6.1146 6.1146 7.6643 7.6643 7.6942 7.6942 8.2433 8.2433 8.2595 8.2595 9.8140 9.8140 k =-0.3073 0.7200 0.6550 ( 3866 PWs) bands (ev): -33.5849 -33.5849 -33.5849 -33.5849 -14.8627 -14.8627 -14.8590 -14.8590 -14.5213 -14.5213 -14.4911 -14.4911 -14.4560 -14.4560 -14.4295 -14.4295 2.7901 2.7901 2.8088 2.8088 2.8788 2.8788 2.9401 2.9401 3.4063 3.4063 3.4629 3.4629 3.7362 3.7362 3.7464 3.7464 4.0114 4.0114 4.0301 4.0301 6.0787 6.0787 6.0897 6.0897 7.5992 7.5992 7.6253 7.6253 8.3013 8.3013 8.3229 8.3229 9.8602 9.8602 k =-0.3137 0.7019 0.6550 ( 3870 PWs) bands (ev): -33.5850 -33.5850 -33.5850 -33.5850 -14.8625 -14.8625 -14.8585 -14.8585 -14.5218 -14.5218 -14.4891 -14.4891 -14.4572 -14.4572 -14.4285 -14.4285 2.7906 2.7906 2.8085 2.8085 2.8819 2.8819 2.9426 2.9426 3.4059 3.4059 3.4636 3.4636 3.7372 3.7372 3.7468 3.7468 4.0029 4.0029 4.0215 4.0215 6.0498 6.0498 6.0615 6.0615 7.5334 7.5334 7.5565 7.5565 8.3651 8.3651 8.3912 8.3912 9.9087 9.9087 k =-0.3201 0.6838 0.6550 ( 3858 PWs) bands (ev): -33.5850 -33.5850 -33.5850 -33.5850 -14.8622 -14.8622 -14.8579 -14.8579 -14.5222 -14.5222 -14.4869 -14.4869 -14.4584 -14.4584 -14.4275 -14.4275 2.7912 2.7912 2.8081 2.8081 2.8855 2.8855 2.9456 2.9456 3.4054 3.4054 3.4642 3.4642 3.7382 3.7382 3.7473 3.7473 3.9940 3.9940 4.0124 4.0124 6.0186 6.0186 6.0309 6.0309 7.4675 7.4675 7.4882 7.4882 8.4335 8.4335 8.4634 8.4634 9.9595 9.9595 k =-0.3265 0.6658 0.6550 ( 3862 PWs) bands (ev): -33.5851 -33.5851 -33.5851 -33.5851 -14.8619 -14.8619 -14.8574 -14.8574 -14.5225 -14.5225 -14.4848 -14.4848 -14.4596 -14.4596 -14.4265 -14.4265 2.7916 2.7916 2.8077 2.8077 2.8893 2.8893 2.9488 2.9488 3.4047 3.4047 3.4647 3.4647 3.7392 3.7392 3.7476 3.7476 3.9845 3.9845 4.0027 4.0027 5.9856 5.9856 5.9984 5.9984 7.4020 7.4020 7.4205 7.4205 8.5054 8.5054 8.5388 8.5388 10.0125 10.0125 k =-0.3330 0.6477 0.6550 ( 3854 PWs) bands (ev): -33.5852 -33.5852 -33.5852 -33.5852 -14.8616 -14.8616 -14.8569 -14.8569 -14.5226 -14.5226 -14.4826 -14.4826 -14.4608 -14.4608 -14.4256 -14.4256 2.7920 2.7920 2.8073 2.8073 2.8935 2.8935 2.9522 2.9522 3.4040 3.4040 3.4651 3.4651 3.7402 3.7402 3.7477 3.7477 3.9748 3.9748 3.9928 3.9928 5.9515 5.9515 5.9645 5.9645 7.3371 7.3371 7.3539 7.3539 8.5801 8.5801 8.6165 8.6165 10.0676 10.0676 k =-0.3394 0.6296 0.6550 ( 3848 PWs) bands (ev): -33.5853 -33.5853 -33.5853 -33.5853 -14.8613 -14.8613 -14.8563 -14.8563 -14.5227 -14.5227 -14.4804 -14.4804 -14.4620 -14.4620 -14.4247 -14.4247 2.7924 2.7924 2.8069 2.8069 2.8979 2.8979 2.9559 2.9559 3.4032 3.4032 3.4654 3.4654 3.7411 3.7411 3.7475 3.7475 3.9650 3.9650 3.9826 3.9826 5.9166 5.9166 5.9299 5.9299 7.2733 7.2733 7.2886 7.2886 8.6568 8.6568 8.6959 8.6959 10.1246 10.1246 k =-0.3458 0.6115 0.6550 ( 3844 PWs) bands (ev): -33.5854 -33.5854 -33.5854 -33.5854 -14.8609 -14.8609 -14.8557 -14.8557 -14.5226 -14.5226 -14.4782 -14.4782 -14.4631 -14.4631 -14.4239 -14.4239 2.7928 2.7928 2.8064 2.8064 2.9026 2.9026 2.9598 2.9598 3.4023 3.4023 3.4655 3.4655 3.7418 3.7418 3.7471 3.7471 3.9551 3.9551 3.9723 3.9723 5.8813 5.8813 5.8948 5.8948 7.2109 7.2109 7.2248 7.2248 8.7348 8.7348 8.7763 8.7763 10.1834 10.1834 k =-0.3522 0.5934 0.6550 ( 3856 PWs) bands (ev): -33.5855 -33.5855 -33.5855 -33.5855 -14.8605 -14.8605 -14.8552 -14.8552 -14.5224 -14.5224 -14.4761 -14.4761 -14.4642 -14.4642 -14.4232 -14.4232 2.7930 2.7930 2.8058 2.8058 2.9074 2.9074 2.9638 2.9638 3.4012 3.4012 3.4655 3.4655 3.7422 3.7422 3.7461 3.7461 3.9454 3.9454 3.9620 3.9620 5.8460 5.8460 5.8595 5.8595 7.1501 7.1501 7.1628 7.1628 8.8136 8.8136 8.8572 8.8572 10.2437 10.2437 k =-0.3587 0.5754 0.6550 ( 3856 PWs) bands (ev): -33.5856 -33.5856 -33.5856 -33.5856 -14.8601 -14.8601 -14.8547 -14.8547 -14.5222 -14.5222 -14.4741 -14.4741 -14.4651 -14.4651 -14.4225 -14.4225 2.7932 2.7932 2.8052 2.8052 2.9124 2.9124 2.9680 2.9680 3.4002 3.4002 3.4654 3.4654 3.7424 3.7424 3.7448 3.7448 3.9361 3.9361 3.9520 3.9520 5.8108 5.8108 5.8244 5.8244 7.0911 7.0911 7.1028 7.1028 8.8927 8.8927 8.9382 8.9382 10.3054 10.3054 k =-0.3651 0.5573 0.6550 ( 3856 PWs) bands (ev): -33.5857 -33.5857 -33.5857 -33.5857 -14.8597 -14.8597 -14.8542 -14.8542 -14.5218 -14.5218 -14.4725 -14.4725 -14.4656 -14.4656 -14.4218 -14.4218 2.7934 2.7934 2.8046 2.8046 2.9175 2.9175 2.9721 2.9721 3.3992 3.3992 3.4651 3.4651 3.7421 3.7421 3.7429 3.7429 3.9273 3.9273 3.9423 3.9423 5.7759 5.7759 5.7895 5.7895 7.0341 7.0341 7.0449 7.0449 8.9718 8.9718 9.0189 9.0189 10.3682 10.3682 k =-0.3715 0.5392 0.6550 ( 3856 PWs) bands (ev): -33.5858 -33.5858 -33.5858 -33.5858 -14.8593 -14.8593 -14.8538 -14.8538 -14.5213 -14.5213 -14.4717 -14.4717 -14.4653 -14.4653 -14.4213 -14.4213 2.7935 2.7935 2.8040 2.8040 2.9227 2.9227 2.9763 2.9763 3.3982 3.3982 3.4647 3.4647 3.7404 3.7404 3.7414 3.7414 3.9191 3.9191 3.9331 3.9331 5.7416 5.7416 5.7552 5.7552 6.9794 6.9794 6.9894 6.9894 9.0505 9.0505 9.0990 9.0990 10.4317 10.4317 k =-0.3779 0.5211 0.6550 ( 3852 PWs) bands (ev): -33.5859 -33.5859 -33.5859 -33.5859 -14.8588 -14.8588 -14.8533 -14.8533 -14.5207 -14.5207 -14.4718 -14.4718 -14.4641 -14.4641 -14.4207 -14.4207 2.7936 2.7936 2.8033 2.8033 2.9281 2.9281 2.9805 2.9805 3.3974 3.3974 3.4641 3.4641 3.7373 3.7373 3.7402 3.7402 3.9118 3.9118 3.9246 3.9246 5.7080 5.7080 5.7214 5.7214 6.9270 6.9270 6.9363 6.9363 9.1287 9.1287 9.1784 9.1784 10.4955 10.4955 k =-0.3844 0.5031 0.6550 ( 3860 PWs) bands (ev): -33.5860 -33.5860 -33.5860 -33.5860 -14.8584 -14.8584 -14.8529 -14.8529 -14.5201 -14.5201 -14.4726 -14.4726 -14.4622 -14.4622 -14.4203 -14.4203 2.7936 2.7936 2.8027 2.8027 2.9333 2.9333 2.9845 2.9845 3.3965 3.3965 3.4633 3.4633 3.7336 3.7336 3.7383 3.7383 3.9053 3.9053 3.9169 3.9169 5.6752 5.6752 5.6884 5.6884 6.8772 6.8772 6.8858 6.8858 9.2059 9.2059 9.2566 9.2566 10.5593 10.5593 k =-0.3908 0.4850 0.6550 ( 3854 PWs) bands (ev): -33.5861 -33.5861 -33.5861 -33.5861 -14.8579 -14.8579 -14.8525 -14.8525 -14.5193 -14.5193 -14.4736 -14.4736 -14.4601 -14.4601 -14.4199 -14.4199 2.7936 2.7936 2.8020 2.8020 2.9386 2.9386 2.9884 2.9884 3.3958 3.3958 3.4623 3.4623 3.7294 3.7294 3.7359 3.7359 3.8998 3.8998 3.9101 3.9101 5.6433 5.6433 5.6563 5.6563 6.8300 6.8300 6.8380 6.8380 9.2822 9.2822 9.3337 9.3337 10.6227 10.6227 k =-0.3972 0.4669 0.6550 ( 3854 PWs) bands (ev): -33.5862 -33.5862 -33.5862 -33.5862 -14.8574 -14.8574 -14.8521 -14.8521 -14.5184 -14.5184 -14.4748 -14.4748 -14.4580 -14.4580 -14.4197 -14.4197 2.7935 2.7935 2.8013 2.8013 2.9438 2.9438 2.9920 2.9920 3.3953 3.3953 3.4611 3.4611 3.7247 3.7247 3.7329 3.7329 3.8952 3.8952 3.9042 3.9042 5.6123 5.6123 5.6251 5.6251 6.7855 6.7855 6.7930 6.7930 9.3574 9.3574 9.4095 9.4095 10.6850 10.6850 k =-0.4036 0.4488 0.6550 ( 3862 PWs) bands (ev): -33.5863 -33.5863 -33.5863 -33.5863 -14.8570 -14.8570 -14.8518 -14.8518 -14.5175 -14.5175 -14.4760 -14.4760 -14.4558 -14.4558 -14.4195 -14.4195 2.7934 2.7934 2.8006 2.8006 2.9488 2.9488 2.9954 2.9954 3.3950 3.3950 3.4597 3.4597 3.7197 3.7197 3.7293 3.7293 3.8915 3.8915 3.8992 3.8992 5.5825 5.5825 5.5949 5.5949 6.7439 6.7439 6.7508 6.7508 9.4314 9.4314 9.4839 9.4839 10.7457 10.7457 k =-0.4101 0.4308 0.6550 ( 3866 PWs) bands (ev): -33.5864 -33.5864 -33.5864 -33.5864 -14.8565 -14.8565 -14.8516 -14.8516 -14.5165 -14.5165 -14.4773 -14.4773 -14.4535 -14.4535 -14.4193 -14.4193 2.7932 2.7932 2.7999 2.7999 2.9537 2.9537 2.9984 2.9984 3.3949 3.3949 3.4581 3.4581 3.7144 3.7144 3.7253 3.7253 3.8886 3.8886 3.8951 3.8951 5.5539 5.5539 5.5659 5.5659 6.7050 6.7050 6.7115 6.7115 9.5041 9.5041 9.5569 9.5569 10.8037 10.8037 k =-0.4165 0.4127 0.6550 ( 3858 PWs) bands (ev): -33.5865 -33.5865 -33.5865 -33.5865 -14.8561 -14.8561 -14.8513 -14.8513 -14.5154 -14.5154 -14.4786 -14.4786 -14.4513 -14.4513 -14.4193 -14.4193 2.7931 2.7931 2.7992 2.7992 2.9585 2.9585 3.0011 3.0011 3.3951 3.3951 3.4563 3.4563 3.7092 3.7092 3.7209 3.7209 3.8865 3.8865 3.8920 3.8920 5.5266 5.5266 5.5382 5.5382 6.6690 6.6690 6.6750 6.6750 9.5756 9.5756 9.6285 9.6285 10.8576 10.8576 k =-0.4229 0.3946 0.6550 ( 3862 PWs) bands (ev): -33.5866 -33.5866 -33.5866 -33.5866 -14.8556 -14.8556 -14.8511 -14.8511 -14.5142 -14.5142 -14.4799 -14.4799 -14.4491 -14.4491 -14.4193 -14.4193 2.7930 2.7930 2.7985 2.7985 2.9631 2.9631 3.0034 3.0034 3.3956 3.3956 3.4543 3.4543 3.7039 3.7039 3.7162 3.7162 3.8850 3.8850 3.8895 3.8895 5.5007 5.5007 5.5118 5.5118 6.6359 6.6359 6.6414 6.6414 9.6457 9.6457 9.6986 9.6986 10.9031 10.9031 k =-0.4293 0.3765 0.6550 ( 3866 PWs) bands (ev): -33.5867 -33.5867 -33.5867 -33.5867 -14.8552 -14.8552 -14.8509 -14.8509 -14.5130 -14.5130 -14.4813 -14.4813 -14.4470 -14.4470 -14.4195 -14.4195 2.7928 2.7928 2.7978 2.7978 2.9675 2.9675 3.0052 3.0052 3.3963 3.3963 3.4522 3.4522 3.6989 3.6989 3.7115 3.7115 3.8840 3.8840 3.8877 3.8877 5.4764 5.4764 5.4868 5.4868 6.6057 6.6057 6.6107 6.6107 9.7145 9.7145 9.7673 9.7673 10.9249 10.9251 k =-0.4358 0.3585 0.6550 ( 3866 PWs) bands (ev): -33.5868 -33.5868 -33.5868 -33.5868 -14.8548 -14.8548 -14.8508 -14.8508 -14.5117 -14.5117 -14.4826 -14.4826 -14.4449 -14.4449 -14.4197 -14.4197 2.7927 2.7927 2.7972 2.7972 2.9717 2.9717 3.0066 3.0066 3.3974 3.3974 3.4499 3.4499 3.6942 3.6942 3.7067 3.7067 3.8835 3.8835 3.8865 3.8865 5.4537 5.4537 5.4635 5.4635 6.5783 6.5783 6.5829 6.5829 9.7821 9.7821 9.8347 9.8347 10.9050 10.9050 k =-0.4422 0.3404 0.6550 ( 3870 PWs) bands (ev): -33.5868 -33.5868 -33.5868 -33.5868 -14.8544 -14.8544 -14.8507 -14.8507 -14.5104 -14.5104 -14.4840 -14.4840 -14.4428 -14.4428 -14.4201 -14.4201 2.7925 2.7925 2.7966 2.7966 2.9756 2.9756 3.0076 3.0076 3.3988 3.3988 3.4474 3.4474 3.6899 3.6899 3.7020 3.7020 3.8833 3.8833 3.8857 3.8857 5.4328 5.4328 5.4418 5.4418 6.5537 6.5537 6.5578 6.5578 9.8483 9.8483 9.9006 9.9006 10.8644 10.8644 k =-0.4486 0.3223 0.6550 ( 3866 PWs) bands (ev): -33.5869 -33.5869 -33.5869 -33.5869 -14.8539 -14.8539 -14.8506 -14.8506 -14.5091 -14.5091 -14.4854 -14.4854 -14.4408 -14.4408 -14.4205 -14.4205 2.7924 2.7924 2.7960 2.7960 2.9793 2.9793 3.0082 3.0082 3.4005 3.4005 3.4448 3.4448 3.6861 3.6861 3.6975 3.6975 3.8833 3.8833 3.8852 3.8852 5.4137 5.4137 5.4220 5.4220 6.5319 6.5319 6.5356 6.5356 9.9133 9.9133 9.9652 9.9652 10.8178 10.8178 k =-0.4550 0.3042 0.6550 ( 3868 PWs) bands (ev): -33.5870 -33.5870 -33.5870 -33.5870 -14.8536 -14.8536 -14.8506 -14.8506 -14.5077 -14.5077 -14.4869 -14.4869 -14.4389 -14.4389 -14.4210 -14.4210 2.7923 2.7923 2.7954 2.7954 2.9827 2.9827 3.0084 3.0084 3.4025 3.4025 3.4421 3.4421 3.6828 3.6828 3.6932 3.6932 3.8835 3.8835 3.8850 3.8850 5.3967 5.3967 5.4040 5.4040 6.5128 6.5128 6.5161 6.5161 9.9771 9.9771 10.0285 10.0285 10.7687 10.7687 k =-0.4615 0.2862 0.6550 ( 3868 PWs) bands (ev): -33.5870 -33.5870 -33.5870 -33.5870 -14.8532 -14.8532 -14.8506 -14.8506 -14.5062 -14.5062 -14.4883 -14.4883 -14.4370 -14.4370 -14.4217 -14.4217 2.7923 2.7923 2.7949 2.7949 2.9860 2.9860 3.0082 3.0082 3.4047 3.4047 3.4393 3.4393 3.6800 3.6800 3.6893 3.6893 3.8837 3.8837 3.8850 3.8850 5.3817 5.3817 5.3882 5.3882 6.4964 6.4964 6.4992 6.4992 10.0396 10.0396 10.0905 10.0905 10.7182 10.7182 k =-0.4679 0.2681 0.6550 ( 3860 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8528 -14.8528 -14.8507 -14.8507 -14.5048 -14.5048 -14.4898 -14.4898 -14.4352 -14.4352 -14.4224 -14.4224 2.7923 2.7923 2.7944 2.7944 2.9890 2.9890 3.0078 3.0078 3.4072 3.4072 3.4364 3.4364 3.6778 3.6778 3.6858 3.6858 3.8841 3.8841 3.8851 3.8851 5.3690 5.3690 5.3744 5.3744 6.4827 6.4827 6.4850 6.4850 10.1010 10.1010 10.1512 10.1512 10.6668 10.6668 k =-0.4743 0.2500 0.6550 ( 3860 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8525 -14.8525 -14.8508 -14.8508 -14.5033 -14.5033 -14.4912 -14.4912 -14.4335 -14.4335 -14.4232 -14.4232 2.7923 2.7923 2.7940 2.7940 2.9918 2.9918 3.0069 3.0069 3.4098 3.4098 3.4335 3.4335 3.6761 3.6761 3.6827 3.6827 3.8845 3.8845 3.8852 3.8852 5.3585 5.3585 5.3630 5.3630 6.4716 6.4716 6.4735 6.4735 10.1612 10.1612 10.2107 10.2107 10.6146 10.6146 k =-0.4807 0.2319 0.6550 ( 3868 PWs) bands (ev): -33.5871 -33.5871 -33.5871 -33.5871 -14.8522 -14.8522 -14.8509 -14.8509 -14.5018 -14.5018 -14.4927 -14.4927 -14.4319 -14.4319 -14.4242 -14.4242 2.7923 2.7923 2.7936 2.7936 2.9944 2.9944 3.0058 3.0058 3.4125 3.4125 3.4305 3.4305 3.6751 3.6751 3.6801 3.6801 3.8847 3.8847 3.8853 3.8853 5.3504 5.3504 5.3538 5.3538 6.4630 6.4630 6.4644 6.4644 10.2202 10.2202 10.2688 10.2688 10.5618 10.5618 k =-0.4872 0.2139 0.6550 ( 3864 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8519 -14.8519 -14.8510 -14.8510 -14.5003 -14.5003 -14.4942 -14.4942 -14.4304 -14.4304 -14.4252 -14.4252 2.7924 2.7924 2.7933 2.7933 2.9968 2.9968 3.0044 3.0044 3.4154 3.4154 3.4275 3.4275 3.6745 3.6745 3.6779 3.6779 3.8850 3.8850 3.8854 3.8854 5.3448 5.3448 5.3470 5.3470 6.4570 6.4570 6.4579 6.4579 10.2780 10.2780 10.3252 10.3252 10.5091 10.5091 k =-0.4936 0.1958 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8517 -14.8517 -14.8512 -14.8512 -14.4988 -14.4988 -14.4958 -14.4958 -14.4290 -14.4290 -14.4264 -14.4264 2.7925 2.7925 2.7929 2.7929 2.9989 2.9989 3.0028 3.0028 3.4183 3.4183 3.4244 3.4244 3.6745 3.6745 3.6762 3.6762 3.8852 3.8852 3.8854 3.8854 5.3416 5.3416 5.3427 5.3427 6.4535 6.4535 6.4539 6.4539 10.3338 10.3338 10.3765 10.3765 10.4595 10.4595 k =-0.5000 0.1777 0.6550 ( 3888 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8515 -14.8515 -14.8515 -14.8515 -14.4973 -14.4973 -14.4973 -14.4973 -14.4277 -14.4277 -14.4277 -14.4277 2.7927 2.7927 2.7927 2.7927 3.0009 3.0009 3.0009 3.0009 3.4213 3.4213 3.4213 3.4213 3.6751 3.6751 3.6751 3.6751 3.8853 3.8853 3.8853 3.8853 5.3409 5.3409 5.3409 5.3409 6.4525 6.4525 6.4525 6.4525 10.3829 10.3829 10.3829 10.3829 10.4531 10.4531 k =-0.5000 0.1777 0.6550 ( 3888 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8515 -14.8515 -14.8515 -14.8515 -14.4973 -14.4973 -14.4973 -14.4973 -14.4277 -14.4277 -14.4277 -14.4277 2.7927 2.7927 2.7927 2.7927 3.0009 3.0009 3.0009 3.0009 3.4213 3.4213 3.4213 3.4213 3.6751 3.6751 3.6751 3.6751 3.8853 3.8853 3.8853 3.8853 5.3409 5.3409 5.3409 5.3409 6.4525 6.4525 6.4525 6.4525 10.3829 10.3829 10.3829 10.3829 10.4531 10.4531 k =-0.5000 0.1777 0.6358 ( 3876 PWs) bands (ev): -33.5877 -33.5877 -33.5867 -33.5867 -14.8530 -14.8530 -14.8499 -14.8499 -14.4978 -14.4978 -14.4968 -14.4968 -14.4281 -14.4281 -14.4272 -14.4272 2.7815 2.7815 2.8038 2.8038 3.0001 3.0001 3.0017 3.0017 3.4201 3.4201 3.4223 3.4223 3.6651 3.6651 3.6857 3.6857 3.8771 3.8771 3.8936 3.8936 5.2375 5.2375 5.4473 5.4473 6.3482 6.3482 6.5576 6.5576 10.3309 10.3309 10.4250 10.4250 10.4474 10.4474 k =-0.5000 0.1777 0.6165 ( 3868 PWs) bands (ev): -33.5882 -33.5882 -33.5862 -33.5862 -14.8544 -14.8544 -14.8482 -14.8482 -14.4982 -14.4982 -14.4964 -14.4964 -14.4285 -14.4285 -14.4267 -14.4267 2.7702 2.7702 2.8146 2.8146 2.9993 2.9993 3.0025 3.0025 3.4185 3.4185 3.4230 3.4230 3.6557 3.6557 3.6964 3.6964 3.8690 3.8690 3.9019 3.9019 5.1371 5.1371 5.5565 5.5565 6.2449 6.2449 6.6633 6.6633 10.2767 10.2767 10.4452 10.4452 10.4469 10.4469 k =-0.5000 0.1777 0.5972 ( 3872 PWs) bands (ev): -33.5887 -33.5887 -33.5857 -33.5857 -14.8559 -14.8559 -14.8466 -14.8466 -14.4987 -14.4987 -14.4959 -14.4959 -14.4290 -14.4290 -14.4262 -14.4262 2.7590 2.7590 2.8250 2.8250 2.9984 2.9984 3.0032 3.0032 3.4165 3.4165 3.4236 3.4236 3.6471 3.6471 3.7072 3.7072 3.8610 3.8610 3.9101 3.9101 5.0399 5.0399 5.6685 5.6685 6.1430 6.1430 6.7695 6.7695 10.2221 10.2221 10.4482 10.4482 10.4587 10.4587 k =-0.5000 0.1777 0.5780 ( 3866 PWs) bands (ev): -33.5892 -33.5892 -33.5852 -33.5852 -14.8573 -14.8573 -14.8449 -14.8449 -14.4992 -14.4992 -14.4955 -14.4955 -14.4294 -14.4294 -14.4257 -14.4257 2.7481 2.7481 2.8347 2.8347 2.9974 2.9974 3.0039 3.0039 3.4141 3.4141 3.4242 3.4242 3.6394 3.6394 3.7178 3.7178 3.8534 3.8534 3.9182 3.9182 4.9459 4.9459 5.7830 5.7830 6.0425 6.0425 6.8757 6.8757 10.1676 10.1676 10.4527 10.4527 10.4717 10.4717 k =-0.5000 0.1777 0.5587 ( 3866 PWs) bands (ev): -33.5897 -33.5897 -33.5847 -33.5847 -14.8586 -14.8586 -14.8432 -14.8432 -14.4996 -14.4996 -14.4950 -14.4950 -14.4298 -14.4298 -14.4251 -14.4251 2.7374 2.7374 2.8437 2.8437 2.9964 2.9964 3.0047 3.0047 3.4110 3.4110 3.4248 3.4248 3.6329 3.6329 3.7278 3.7278 3.8463 3.8463 3.9262 3.9262 4.8554 4.8554 5.8988 5.8988 5.9447 5.9447 6.9819 6.9819 10.1136 10.1136 10.4594 10.4594 10.4865 10.4865 k =-0.5000 0.1777 0.5394 ( 3862 PWs) bands (ev): -33.5902 -33.5902 -33.5842 -33.5842 -14.8599 -14.8599 -14.8414 -14.8414 -14.5001 -14.5001 -14.4946 -14.4946 -14.4302 -14.4302 -14.4246 -14.4246 2.7272 2.7272 2.8517 2.8517 2.9952 2.9952 3.0054 3.0054 3.4075 3.4075 3.4254 3.4254 3.6275 3.6275 3.7368 3.7368 3.8400 3.8400 3.9342 3.9342 4.7683 4.7683 5.8454 5.8454 6.0204 6.0204 7.0877 7.0877 10.0602 10.0602 10.4684 10.4684 10.5035 10.5035 k =-0.5000 0.1777 0.5202 ( 3872 PWs) bands (ev): -33.5907 -33.5907 -33.5838 -33.5838 -14.8611 -14.8611 -14.8397 -14.8397 -14.5006 -14.5006 -14.4942 -14.4942 -14.4307 -14.4307 -14.4241 -14.4241 2.7174 2.7174 2.8587 2.8587 2.9939 2.9939 3.0061 3.0061 3.4033 3.4033 3.4262 3.4262 3.6232 3.6232 3.7444 3.7444 3.8349 3.8349 3.9419 3.9419 4.6849 4.6849 5.7501 5.7501 6.1421 6.1421 7.1929 7.1929 10.0075 10.0075 10.4794 10.4794 10.5229 10.5229 k =-0.5000 0.1777 0.5009 ( 3876 PWs) bands (ev): -33.5912 -33.5912 -33.5833 -33.5833 -14.8623 -14.8623 -14.8380 -14.8380 -14.5011 -14.5011 -14.4938 -14.4938 -14.4311 -14.4311 -14.4236 -14.4236 2.7082 2.7082 2.8645 2.8645 2.9924 2.9924 3.0068 3.0068 3.3987 3.3987 3.4272 3.4272 3.6201 3.6201 3.7501 3.7501 3.8315 3.8315 3.9495 3.9495 4.6052 4.6052 5.6568 5.6568 6.2662 6.2662 7.2970 7.2970 9.9556 9.9556 10.4924 10.4924 10.5447 10.5447 k =-0.5000 0.1777 0.4816 ( 3882 PWs) bands (ev): -33.5916 -33.5916 -33.5829 -33.5829 -14.8634 -14.8634 -14.8362 -14.8362 -14.5015 -14.5015 -14.4935 -14.4935 -14.4315 -14.4315 -14.4230 -14.4230 2.6997 2.6997 2.8691 2.8691 2.9907 2.9907 3.0075 3.0075 3.3937 3.3937 3.4283 3.4283 3.6180 3.6180 3.7533 3.7533 3.8301 3.8301 3.9569 3.9569 4.5296 4.5296 5.5655 5.5655 6.3923 6.3923 7.3999 7.3999 9.9047 9.9047 10.5073 10.5073 10.5691 10.5691 k =-0.5000 0.1777 0.4624 ( 3878 PWs) bands (ev): -33.5921 -33.5921 -33.5824 -33.5824 -14.8644 -14.8644 -14.8344 -14.8344 -14.5020 -14.5020 -14.4931 -14.4931 -14.4319 -14.4319 -14.4225 -14.4225 2.6919 2.6919 2.8724 2.8724 2.9887 2.9887 3.0082 3.0082 3.3885 3.3885 3.4294 3.4294 3.6170 3.6170 3.7538 3.7538 3.8310 3.8310 3.9643 3.9643 4.4580 4.4580 5.4765 5.4765 6.5205 6.5205 7.5012 7.5012 9.8549 9.8549 10.5241 10.5241 10.5959 10.5959 k =-0.5000 0.1777 0.4431 ( 3874 PWs) bands (ev): -33.5926 -33.5926 -33.5820 -33.5820 -14.8654 -14.8654 -14.8326 -14.8326 -14.5024 -14.5024 -14.4927 -14.4927 -14.4323 -14.4323 -14.4219 -14.4219 2.6848 2.6848 2.8743 2.8743 2.9864 2.9864 3.0089 3.0089 3.3832 3.3832 3.4306 3.4306 3.6169 3.6169 3.7519 3.7519 3.8337 3.8337 3.9714 3.9714 4.3907 4.3907 5.3900 5.3900 6.6504 6.6504 7.6005 7.6005 9.8062 9.8062 10.5427 10.5427 10.6253 10.6253 k =-0.5000 0.1777 0.4238 ( 3870 PWs) bands (ev): -33.5930 -33.5930 -33.5816 -33.5816 -14.8663 -14.8663 -14.8308 -14.8308 -14.5029 -14.5029 -14.4924 -14.4924 -14.4327 -14.4327 -14.4213 -14.4213 2.6786 2.6786 2.8750 2.8750 2.9837 2.9837 3.0096 3.0096 3.3779 3.3779 3.4316 3.4316 3.6175 3.6175 3.7482 3.7482 3.8376 3.8376 3.9784 3.9784 4.3280 4.3280 5.3059 5.3059 6.7820 6.7820 7.6976 7.6976 9.7587 9.7587 10.5628 10.5628 10.6572 10.6572 k =-0.5000 0.1777 0.4046 ( 3870 PWs) bands (ev): -33.5935 -33.5935 -33.5812 -33.5812 -14.8672 -14.8672 -14.8290 -14.8290 -14.5033 -14.5033 -14.4921 -14.4921 -14.4331 -14.4331 -14.4207 -14.4207 2.6733 2.6733 2.8745 2.8745 2.9805 2.9805 3.0101 3.0101 3.3727 3.3727 3.4322 3.4322 3.6188 3.6188 3.7434 3.7434 3.8421 3.8421 3.9852 3.9852 4.2701 4.2701 5.2245 5.2245 6.9151 6.9151 7.7920 7.7920 9.7126 9.7126 10.5846 10.5846 10.6912 10.6912 k =-0.5000 0.1777 0.3853 ( 3870 PWs) bands (ev): -33.5939 -33.5939 -33.5808 -33.5808 -14.8681 -14.8681 -14.8273 -14.8273 -14.5037 -14.5037 -14.4917 -14.4917 -14.4335 -14.4335 -14.4202 -14.4202 2.6688 2.6688 2.8728 2.8728 2.9767 2.9767 3.0106 3.0106 3.3676 3.3676 3.4324 3.4324 3.6206 3.6206 3.7378 3.7378 3.8466 3.8466 3.9917 3.9917 4.2173 4.2173 5.1459 5.1459 7.0496 7.0496 7.8835 7.8835 9.6679 9.6679 10.6078 10.6078 10.7242 10.7242 k =-0.5000 0.1777 0.3660 ( 3872 PWs) bands (ev): -33.5943 -33.5943 -33.5804 -33.5804 -14.8688 -14.8688 -14.8256 -14.8256 -14.5041 -14.5041 -14.4914 -14.4914 -14.4339 -14.4339 -14.4196 -14.4196 2.6652 2.6652 2.8700 2.8700 2.9723 2.9723 3.0111 3.0111 3.3628 3.3628 3.4318 3.4318 3.6229 3.6229 3.7319 3.7319 3.8508 3.8508 3.9978 3.9978 4.1698 4.1698 5.0702 5.0702 7.1851 7.1851 7.9717 7.9717 9.6248 9.6248 10.6324 10.6324 10.7120 10.7120 k =-0.5000 0.1777 0.3468 ( 3878 PWs) bands (ev): -33.5947 -33.5947 -33.5800 -33.5800 -14.8696 -14.8696 -14.8239 -14.8239 -14.5045 -14.5045 -14.4912 -14.4912 -14.4343 -14.4343 -14.4190 -14.4190 2.6626 2.6626 2.8662 2.8662 2.9672 2.9672 3.0115 3.0115 3.3582 3.3582 3.4304 3.4304 3.6256 3.6256 3.7258 3.7258 3.8544 3.8544 4.0031 4.0031 4.1283 4.1283 4.9974 4.9974 7.3215 7.3215 8.0563 8.0563 9.5833 9.5833 10.6582 10.6582 10.6818 10.6818 k =-0.5000 0.1777 0.3275 ( 3882 PWs) bands (ev): -33.5951 -33.5951 -33.5797 -33.5797 -14.8703 -14.8703 -14.8223 -14.8223 -14.5049 -14.5049 -14.4909 -14.4909 -14.4347 -14.4347 -14.4185 -14.4185 2.6609 2.6609 2.8617 2.8617 2.9614 2.9614 3.0118 3.0118 3.3536 3.3536 3.4282 3.4282 3.6285 3.6285 3.7198 3.7198 3.8572 3.8572 4.0070 4.0070 4.0933 4.0933 4.9278 4.9278 7.4585 7.4585 8.1371 8.1371 9.5435 9.5435 10.6517 10.6517 10.6851 10.6851 k =-0.5000 0.1777 0.3082 ( 3876 PWs) bands (ev): -33.5954 -33.5954 -33.5794 -33.5794 -14.8709 -14.8709 -14.8207 -14.8207 -14.5053 -14.5053 -14.4906 -14.4906 -14.4350 -14.4350 -14.4179 -14.4179 2.6602 2.6602 2.8565 2.8565 2.9549 2.9549 3.0121 3.0121 3.3490 3.3490 3.4251 3.4251 3.6317 3.6317 3.7139 3.7139 3.8593 3.8593 4.0079 4.0079 4.0667 4.0667 4.8613 4.8613 7.5959 7.5959 8.2137 8.2137 9.5055 9.5055 10.6227 10.6227 10.7130 10.7130 k =-0.5000 0.1777 0.2890 ( 3884 PWs) bands (ev): -33.5958 -33.5958 -33.5791 -33.5791 -14.8715 -14.8715 -14.8192 -14.8192 -14.5057 -14.5057 -14.4904 -14.4904 -14.4354 -14.4354 -14.4174 -14.4174 2.6604 2.6604 2.8506 2.8506 2.9476 2.9476 3.0123 3.0123 3.3441 3.3441 3.4213 3.4213 3.6350 3.6350 3.7081 3.7081 3.8603 3.8603 4.0026 4.0026 4.0515 4.0515 4.7982 4.7982 7.7333 7.7333 8.2860 8.2860 9.4695 9.4695 10.5947 10.5947 10.7418 10.7418 k =-0.5000 0.1777 0.2697 ( 3878 PWs) bands (ev): -33.5961 -33.5961 -33.5788 -33.5788 -14.8720 -14.8720 -14.8177 -14.8177 -14.5060 -14.5060 -14.4901 -14.4901 -14.4357 -14.4357 -14.4168 -14.4168 2.6615 2.6615 2.8444 2.8444 2.9397 2.9397 3.0125 3.0125 3.3388 3.3388 3.4172 3.4172 3.6384 3.6384 3.7027 3.7027 3.8605 3.8605 3.9914 3.9914 4.0472 4.0472 4.7385 4.7385 7.8703 7.8703 8.3538 8.3538 9.4354 9.4354 10.5680 10.5680 10.7712 10.7712 k =-0.5000 0.1777 0.2505 ( 3880 PWs) bands (ev): -33.5964 -33.5964 -33.5785 -33.5785 -14.8725 -14.8725 -14.8163 -14.8163 -14.5064 -14.5064 -14.4899 -14.4899 -14.4361 -14.4361 -14.4163 -14.4163 2.6636 2.6636 2.8378 2.8378 2.9312 2.9312 3.0126 3.0126 3.3326 3.3326 3.4130 3.4130 3.6417 3.6417 3.6975 3.6975 3.8598 3.8598 3.9794 3.9794 4.0484 4.0484 4.6823 4.6823 8.0065 8.0065 8.4170 8.4170 9.4034 9.4034 10.5427 10.5427 10.8011 10.8011 k =-0.5000 0.1777 0.2312 ( 3872 PWs) bands (ev): -33.5967 -33.5967 -33.5782 -33.5782 -14.8729 -14.8729 -14.8149 -14.8149 -14.5066 -14.5066 -14.4897 -14.4897 -14.4364 -14.4364 -14.4158 -14.4158 2.6666 2.6666 2.8310 2.8310 2.9222 2.9222 3.0128 3.0128 3.3255 3.3255 3.4093 3.4093 3.6449 3.6449 3.6927 3.6927 3.8585 3.8585 3.9694 3.9694 4.0515 4.0515 4.6297 4.6297 8.1412 8.1412 8.4757 8.4757 9.3735 9.3735 10.5189 10.5189 10.8312 10.8312 k =-0.5000 0.1777 0.2119 ( 3864 PWs) bands (ev): -33.5970 -33.5970 -33.5780 -33.5780 -14.8733 -14.8733 -14.8137 -14.8137 -14.5069 -14.5069 -14.4894 -14.4894 -14.4367 -14.4367 -14.4154 -14.4154 2.6705 2.6705 2.8241 2.8241 2.9127 2.9127 3.0129 3.0129 3.3176 3.3176 3.4062 3.4062 3.6479 3.6479 3.6883 3.6883 3.8566 3.8566 3.9621 3.9621 4.0552 4.0552 4.5809 4.5809 8.2737 8.2737 8.5298 8.5298 9.3459 9.3459 10.4967 10.4967 10.8613 10.8613 k =-0.5000 0.1777 0.1927 ( 3866 PWs) bands (ev): -33.5972 -33.5972 -33.5778 -33.5778 -14.8737 -14.8737 -14.8125 -14.8125 -14.5072 -14.5072 -14.4893 -14.4893 -14.4370 -14.4370 -14.4149 -14.4149 2.6751 2.6751 2.8172 2.8172 2.9028 2.9028 3.0129 3.0129 3.3089 3.3089 3.4040 3.4040 3.6506 3.6506 3.6843 3.6843 3.8546 3.8546 3.9572 3.9572 4.0589 4.0589 4.5359 4.5359 8.4026 8.4026 8.5801 8.5801 9.3207 9.3207 10.4761 10.4761 10.8911 10.8911 k =-0.5000 0.1777 0.1734 ( 3858 PWs) bands (ev): -33.5975 -33.5975 -33.5776 -33.5776 -14.8740 -14.8740 -14.8114 -14.8114 -14.5074 -14.5074 -14.4891 -14.4891 -14.4372 -14.4372 -14.4145 -14.4145 2.6806 2.6806 2.8105 2.8105 2.8927 2.8927 3.0130 3.0130 3.2998 3.2998 3.4025 3.4025 3.6528 3.6528 3.6810 3.6810 3.8525 3.8525 3.9544 3.9544 4.0624 4.0624 4.4949 4.4949 8.5245 8.5245 8.6291 8.6291 9.2978 9.2978 10.4572 10.4572 10.9203 10.9203 k =-0.5000 0.1777 0.1541 ( 3860 PWs) bands (ev): -33.5977 -33.5977 -33.5774 -33.5774 -14.8742 -14.8742 -14.8105 -14.8105 -14.5076 -14.5076 -14.4889 -14.4889 -14.4375 -14.4375 -14.4141 -14.4141 2.6867 2.6867 2.8039 2.8039 2.8824 2.8824 3.0130 3.0130 3.2906 3.2906 3.4017 3.4017 3.6543 3.6543 3.6785 3.6785 3.8506 3.8506 3.9529 3.9529 4.0657 4.0657 4.4578 4.4578 8.6232 8.6232 8.6920 8.6920 9.2775 9.2775 10.4400 10.4400 10.9481 10.9481 k =-0.5000 0.1777 0.1349 ( 3862 PWs) bands (ev): -33.5979 -33.5979 -33.5772 -33.5772 -14.8745 -14.8745 -14.8096 -14.8096 -14.5078 -14.5078 -14.4888 -14.4888 -14.4377 -14.4377 -14.4138 -14.4138 2.6934 2.6934 2.7977 2.7977 2.8721 2.8721 3.0131 3.0131 3.2817 3.2817 3.4015 3.4015 3.6551 3.6551 3.6769 3.6769 3.8488 3.8488 3.9524 3.9524 4.0687 4.0687 4.4248 4.4248 8.6763 8.6763 8.7899 8.7899 9.2599 9.2599 10.4247 10.4247 10.9344 10.9344 k =-0.5000 0.1777 0.1156 ( 3866 PWs) bands (ev): -33.5980 -33.5980 -33.5771 -33.5771 -14.8747 -14.8747 -14.8089 -14.8089 -14.5080 -14.5080 -14.4886 -14.4886 -14.4379 -14.4379 -14.4135 -14.4135 2.7006 2.7006 2.7918 2.7918 2.8620 2.8620 3.0131 3.0131 3.2735 3.2735 3.4016 3.4016 3.6550 3.6550 3.6762 3.6762 3.8473 3.8473 3.9527 3.9527 4.0713 4.0713 4.3961 4.3961 8.7098 8.7098 8.8951 8.8951 9.2450 9.2450 10.4113 10.4113 10.8848 10.8848 k =-0.5000 0.1777 0.0963 ( 3866 PWs) bands (ev): -33.5982 -33.5982 -33.5770 -33.5770 -14.8749 -14.8749 -14.8082 -14.8082 -14.5082 -14.5082 -14.4885 -14.4885 -14.4381 -14.4381 -14.4133 -14.4133 2.7082 2.7082 2.7864 2.7864 2.8523 2.8523 3.0131 3.0131 3.2661 3.2661 3.4019 3.4019 3.6544 3.6544 3.6762 3.6762 3.8460 3.8460 3.9534 3.9534 4.0735 4.0735 4.3716 4.3716 8.7355 8.7355 8.9936 8.9936 9.2332 9.2332 10.3999 10.3999 10.8355 10.8355 k =-0.5000 0.1777 0.0771 ( 3866 PWs) bands (ev): -33.5983 -33.5983 -33.5769 -33.5769 -14.8751 -14.8751 -14.8076 -14.8076 -14.5084 -14.5084 -14.4885 -14.4885 -14.4382 -14.4382 -14.4130 -14.4130 2.7158 2.7158 2.7813 2.7813 2.8433 2.8433 3.0131 3.0131 3.2599 3.2599 3.4024 3.4024 3.6535 3.6535 3.6767 3.6767 3.8449 3.8449 3.9543 3.9543 4.0754 4.0754 4.3514 4.3514 8.7557 8.7557 9.0797 9.0797 9.2255 9.2255 10.3905 10.3905 10.7886 10.7886 k =-0.5000 0.1777 0.0578 ( 3876 PWs) bands (ev): -33.5984 -33.5984 -33.5768 -33.5768 -14.8752 -14.8752 -14.8072 -14.8072 -14.5085 -14.5085 -14.4884 -14.4884 -14.4384 -14.4384 -14.4129 -14.4129 2.7232 2.7232 2.7766 2.7766 2.8354 2.8354 3.0130 3.0130 3.2549 3.2549 3.4028 3.4028 3.6526 3.6526 3.6772 3.6772 3.8441 3.8441 3.9550 3.9550 4.0769 4.0769 4.3356 4.3356 8.7711 8.7711 9.1459 9.1459 9.2259 9.2259 10.3830 10.3830 10.7470 10.7470 k =-0.5000 0.1777 0.0385 ( 3880 PWs) bands (ev): -33.5984 -33.5984 -33.5768 -33.5768 -14.8753 -14.8753 -14.8069 -14.8069 -14.5086 -14.5086 -14.4884 -14.4884 -14.4385 -14.4385 -14.4128 -14.4128 2.7300 2.7300 2.7724 2.7724 2.8292 2.8292 3.0130 3.0130 3.2512 3.2512 3.4032 3.4032 3.6518 3.6518 3.6778 3.6778 3.8435 3.8435 3.9558 3.9558 4.0780 4.0780 4.3243 4.3243 8.7818 8.7818 9.1787 9.1787 9.2445 9.2445 10.3777 10.3777 10.7139 10.7139 k =-0.5000 0.1777 0.0193 ( 3880 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8067 -14.8067 -14.5086 -14.5086 -14.4883 -14.4883 -14.4385 -14.4385 -14.4127 -14.4127 2.7350 2.7350 2.7691 2.7691 2.8252 2.8252 3.0130 3.0130 3.2490 3.2490 3.4034 3.4034 3.6513 3.6513 3.6781 3.6781 3.8431 3.8431 3.9562 3.9562 4.0787 4.0787 4.3175 4.3175 8.7883 8.7883 9.1858 9.1858 9.2699 9.2699 10.3745 10.3745 10.6924 10.6924 k =-0.5000 0.1777 0.0000 ( 3884 PWs) bands (ev): -33.5985 -33.5985 -33.5767 -33.5767 -14.8754 -14.8754 -14.8067 -14.8067 -14.5086 -14.5086 -14.4883 -14.4883 -14.4385 -14.4385 -14.4127 -14.4127 2.7370 2.7370 2.7678 2.7678 2.8238 2.8238 3.0130 3.0130 3.2483 3.2483 3.4035 3.4035 3.6511 3.6511 3.6782 3.6782 3.8430 3.8430 3.9563 3.9563 4.0789 4.0789 4.3152 4.3152 8.7904 8.7904 9.1867 9.1867 9.2801 9.2801 10.3734 10.3734 10.6850 10.6850 k = 0.0000 0.0000 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8486 -14.8486 -14.8486 -14.8486 -14.4924 -14.4924 -14.4924 -14.4924 -14.4332 -14.4332 -14.4332 -14.4332 2.7711 2.7711 2.7711 2.7711 3.0184 3.0184 3.0184 3.0184 3.3965 3.3965 3.3965 3.3965 3.6296 3.6296 3.6296 3.6296 3.8804 3.8804 3.8804 3.8804 4.7047 4.7047 4.7047 4.7047 8.5585 8.5585 8.5585 8.5585 9.0780 9.0780 9.0780 9.0780 9.9990 9.9990 k =-0.0179 0.0063 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8486 -14.8486 -14.8486 -14.8486 -14.4924 -14.4924 -14.4924 -14.4924 -14.4332 -14.4332 -14.4332 -14.4332 2.7712 2.7712 2.7712 2.7712 3.0183 3.0183 3.0183 3.0183 3.3967 3.3967 3.3967 3.3967 3.6297 3.6297 3.6297 3.6297 3.8804 3.8804 3.8804 3.8804 4.7057 4.7057 4.7057 4.7057 8.5409 8.5409 8.5409 8.5409 9.0937 9.0937 9.0937 9.0937 10.0001 10.0001 k =-0.0357 0.0127 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8486 -14.8486 -14.8486 -14.8486 -14.4925 -14.4925 -14.4925 -14.4925 -14.4332 -14.4332 -14.4332 -14.4332 2.7714 2.7714 2.7714 2.7714 3.0182 3.0182 3.0182 3.0182 3.3971 3.3971 3.3971 3.3971 3.6301 3.6301 3.6301 3.6301 3.8804 3.8804 3.8804 3.8804 4.7089 4.7089 4.7089 4.7089 8.4931 8.4931 8.4931 8.4931 9.1354 9.1354 9.1354 9.1354 10.0035 10.0035 k =-0.0536 0.0190 0.6550 ( 3854 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8487 -14.8487 -14.8487 -14.8487 -14.4925 -14.4925 -14.4925 -14.4925 -14.4331 -14.4331 -14.4331 -14.4331 2.7718 2.7718 2.7718 2.7718 3.0179 3.0179 3.0179 3.0179 3.3977 3.3977 3.3977 3.3977 3.6308 3.6308 3.6308 3.6308 3.8804 3.8804 3.8804 3.8804 4.7141 4.7141 4.7141 4.7141 8.4253 8.4253 8.4253 8.4253 9.1933 9.1933 9.1933 9.1933 10.0092 10.0092 k =-0.0714 0.0254 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8487 -14.8487 -14.8487 -14.8487 -14.4927 -14.4927 -14.4927 -14.4927 -14.4329 -14.4329 -14.4329 -14.4329 2.7723 2.7723 2.7723 2.7723 3.0176 3.0176 3.0176 3.0176 3.3987 3.3987 3.3987 3.3987 3.6317 3.6317 3.6317 3.6317 3.8804 3.8804 3.8804 3.8804 4.7215 4.7215 4.7215 4.7215 8.3452 8.3452 8.3452 8.3452 9.2596 9.2596 9.2596 9.2596 10.0170 10.0170 k =-0.0893 0.0317 0.6550 ( 3870 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8488 -14.8488 -14.8488 -14.8488 -14.4929 -14.4929 -14.4929 -14.4929 -14.4328 -14.4328 -14.4328 -14.4328 2.7729 2.7729 2.7729 2.7729 3.0171 3.0171 3.0171 3.0171 3.3998 3.3998 3.3998 3.3998 3.6328 3.6328 3.6328 3.6328 3.8804 3.8804 3.8804 3.8804 4.7311 4.7311 4.7311 4.7311 8.2575 8.2575 8.2575 8.2575 9.3299 9.3299 9.3299 9.3299 10.0269 10.0269 k =-0.1071 0.0381 0.6550 ( 3878 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8490 -14.8490 -14.8490 -14.8490 -14.4930 -14.4930 -14.4930 -14.4930 -14.4326 -14.4326 -14.4326 -14.4326 2.7736 2.7736 2.7736 2.7736 3.0165 3.0165 3.0165 3.0165 3.4011 3.4011 3.4011 3.4011 3.6341 3.6341 3.6341 3.6341 3.8805 3.8805 3.8805 3.8805 4.7428 4.7428 4.7428 4.7428 8.1649 8.1649 8.1649 8.1649 9.4015 9.4015 9.4015 9.4015 10.0390 10.0390 k =-0.1250 0.0444 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8491 -14.8491 -14.8491 -14.8491 -14.4932 -14.4932 -14.4932 -14.4932 -14.4324 -14.4324 -14.4324 -14.4324 2.7745 2.7745 2.7745 2.7745 3.0159 3.0159 3.0159 3.0159 3.4026 3.4026 3.4026 3.4026 3.6358 3.6358 3.6358 3.6358 3.8805 3.8805 3.8805 3.8805 4.7567 4.7567 4.7567 4.7567 8.0692 8.0692 8.0692 8.0692 9.4730 9.4730 9.4730 9.4730 10.0530 10.0530 k =-0.1429 0.0508 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8492 -14.8492 -14.8492 -14.8492 -14.4935 -14.4935 -14.4935 -14.4935 -14.4321 -14.4321 -14.4321 -14.4321 2.7754 2.7754 2.7754 2.7754 3.0152 3.0152 3.0152 3.0152 3.4042 3.4042 3.4042 3.4042 3.6376 3.6376 3.6376 3.6376 3.8807 3.8807 3.8807 3.8807 4.7729 4.7729 4.7729 4.7729 7.9713 7.9713 7.9713 7.9713 9.5435 9.5435 9.5435 9.5435 10.0690 10.0690 k =-0.1607 0.0571 0.6550 ( 3880 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8493 -14.8493 -14.8493 -14.8493 -14.4937 -14.4937 -14.4937 -14.4937 -14.4319 -14.4319 -14.4319 -14.4319 2.7765 2.7765 2.7765 2.7765 3.0144 3.0144 3.0144 3.0144 3.4058 3.4058 3.4058 3.4058 3.6396 3.6396 3.6396 3.6396 3.8808 3.8808 3.8808 3.8808 4.7913 4.7913 4.7913 4.7913 7.8720 7.8720 7.8720 7.8720 9.6126 9.6126 9.6126 9.6126 10.0867 10.0867 k =-0.1786 0.0635 0.6550 ( 3874 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8494 -14.8494 -14.8494 -14.8494 -14.4939 -14.4939 -14.4939 -14.4939 -14.4316 -14.4316 -14.4316 -14.4316 2.7776 2.7776 2.7776 2.7776 3.0136 3.0136 3.0136 3.0136 3.4075 3.4075 3.4075 3.4075 3.6418 3.6418 3.6418 3.6418 3.8809 3.8809 3.8809 3.8809 4.8121 4.8121 4.8121 4.8121 7.7720 7.7720 7.7720 7.7720 9.6797 9.6797 9.6797 9.6797 10.1061 10.1061 k =-0.1964 0.0698 0.6550 ( 3872 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8496 -14.8496 -14.8496 -14.8496 -14.4942 -14.4942 -14.4942 -14.4942 -14.4313 -14.4313 -14.4313 -14.4313 2.7788 2.7788 2.7788 2.7788 3.0127 3.0127 3.0127 3.0127 3.4091 3.4091 3.4091 3.4091 3.6442 3.6442 3.6442 3.6442 3.8811 3.8811 3.8811 3.8811 4.8351 4.8351 4.8351 4.8351 7.6718 7.6718 7.6718 7.6718 9.7448 9.7448 9.7448 9.7448 10.1269 10.1269 k =-0.2143 0.0762 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8497 -14.8497 -14.8497 -14.8497 -14.4945 -14.4945 -14.4945 -14.4945 -14.4310 -14.4310 -14.4310 -14.4310 2.7800 2.7800 2.7800 2.7800 3.0118 3.0118 3.0118 3.0118 3.4107 3.4107 3.4107 3.4107 3.6467 3.6467 3.6467 3.6467 3.8813 3.8813 3.8813 3.8813 4.8603 4.8603 4.8603 4.8603 7.5718 7.5718 7.5718 7.5718 9.8077 9.8077 9.8077 9.8077 10.1491 10.1491 k =-0.2321 0.0825 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8499 -14.8499 -14.8499 -14.8499 -14.4947 -14.4947 -14.4947 -14.4947 -14.4306 -14.4306 -14.4306 -14.4306 2.7812 2.7812 2.7812 2.7812 3.0108 3.0108 3.0108 3.0108 3.4122 3.4122 3.4122 3.4122 3.6493 3.6493 3.6493 3.6493 3.8816 3.8816 3.8816 3.8816 4.8878 4.8878 4.8878 4.8878 7.4724 7.4724 7.4724 7.4724 9.8682 9.8682 9.8682 9.8682 10.1724 10.1724 k =-0.2500 0.0889 0.6550 ( 3872 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8500 -14.8500 -14.8500 -14.8500 -14.4950 -14.4950 -14.4950 -14.4950 -14.4303 -14.4303 -14.4303 -14.4303 2.7824 2.7824 2.7824 2.7824 3.0099 3.0099 3.0099 3.0099 3.4137 3.4137 3.4137 3.4137 3.6519 3.6519 3.6519 3.6519 3.8818 3.8818 3.8818 3.8818 4.9175 4.9175 4.9175 4.9175 7.3740 7.3740 7.3740 7.3740 9.9263 9.9263 9.9263 9.9263 10.1966 10.1966 k =-0.2679 0.0952 0.6550 ( 3868 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8502 -14.8502 -14.8502 -14.8502 -14.4952 -14.4952 -14.4952 -14.4952 -14.4300 -14.4300 -14.4300 -14.4300 2.7836 2.7836 2.7836 2.7836 3.0089 3.0089 3.0089 3.0089 3.4149 3.4149 3.4149 3.4149 3.6545 3.6545 3.6545 3.6545 3.8821 3.8821 3.8821 3.8821 4.9493 4.9493 4.9493 4.9493 7.2771 7.2771 7.2771 7.2771 9.9818 9.9818 9.9818 9.9818 10.2215 10.2215 k =-0.2857 0.1015 0.6550 ( 3868 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8503 -14.8503 -14.8503 -14.8503 -14.4955 -14.4955 -14.4955 -14.4955 -14.4297 -14.4297 -14.4297 -14.4297 2.7848 2.7848 2.7848 2.7848 3.0079 3.0079 3.0079 3.0079 3.4161 3.4161 3.4161 3.4161 3.6571 3.6571 3.6571 3.6571 3.8825 3.8825 3.8825 3.8825 4.9829 4.9829 4.9829 4.9829 7.1821 7.1821 7.1821 7.1821 10.0346 10.0346 10.0346 10.0346 10.2467 10.2467 k =-0.3036 0.1079 0.6550 ( 3870 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8505 -14.8505 -14.8505 -14.8505 -14.4958 -14.4958 -14.4958 -14.4958 -14.4294 -14.4294 -14.4294 -14.4294 2.7859 2.7859 2.7859 2.7859 3.0070 3.0070 3.0070 3.0070 3.4171 3.4171 3.4171 3.4171 3.6597 3.6597 3.6597 3.6597 3.8828 3.8828 3.8828 3.8828 5.0183 5.0183 5.0183 5.0183 7.0894 7.0894 7.0894 7.0894 10.0846 10.0846 10.0846 10.0846 10.2721 10.2721 k =-0.3214 0.1142 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8506 -14.8506 -14.8506 -14.8506 -14.4960 -14.4960 -14.4960 -14.4960 -14.4291 -14.4291 -14.4291 -14.4291 2.7870 2.7870 2.7870 2.7870 3.0061 3.0061 3.0061 3.0061 3.4180 3.4180 3.4180 3.4180 3.6621 3.6621 3.6621 3.6621 3.8831 3.8831 3.8831 3.8831 5.0551 5.0551 5.0551 5.0551 6.9996 6.9996 6.9996 6.9996 10.1317 10.1317 10.1317 10.1317 10.2973 10.2973 k =-0.3393 0.1206 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8508 -14.8508 -14.8508 -14.8508 -14.4962 -14.4962 -14.4962 -14.4962 -14.4288 -14.4288 -14.4288 -14.4288 2.7880 2.7880 2.7880 2.7880 3.0052 3.0052 3.0052 3.0052 3.4188 3.4188 3.4188 3.4188 3.6644 3.6644 3.6644 3.6644 3.8835 3.8835 3.8835 3.8835 5.0930 5.0930 5.0930 5.0930 6.9132 6.9132 6.9132 6.9132 10.1756 10.1756 10.1756 10.1756 10.3219 10.3219 k =-0.3571 0.1269 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8509 -14.8509 -14.8509 -14.8509 -14.4964 -14.4964 -14.4964 -14.4964 -14.4286 -14.4286 -14.4286 -14.4286 2.7890 2.7890 2.7890 2.7890 3.0044 3.0044 3.0044 3.0044 3.4194 3.4194 3.4194 3.4194 3.6666 3.6666 3.6666 3.6666 3.8838 3.8838 3.8838 3.8838 5.1314 5.1314 5.1314 5.1314 6.8309 6.8309 6.8309 6.8309 10.2161 10.2161 10.2161 10.2161 10.3455 10.3455 k =-0.3750 0.1333 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8510 -14.8510 -14.8510 -14.8510 -14.4966 -14.4966 -14.4966 -14.4966 -14.4284 -14.4284 -14.4284 -14.4284 2.7898 2.7898 2.7898 2.7898 3.0036 3.0036 3.0036 3.0036 3.4199 3.4199 3.4199 3.4199 3.6685 3.6685 3.6685 3.6685 3.8841 3.8841 3.8841 3.8841 5.1697 5.1697 5.1697 5.1697 6.7536 6.7536 6.7536 6.7536 10.2530 10.2530 10.2530 10.2530 10.3679 10.3679 k =-0.3929 0.1396 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8511 -14.8511 -14.8511 -14.8511 -14.4968 -14.4968 -14.4968 -14.4968 -14.4282 -14.4282 -14.4282 -14.4282 2.7906 2.7906 2.7906 2.7906 3.0030 3.0030 3.0030 3.0030 3.4204 3.4204 3.4204 3.4204 3.6702 3.6702 3.6702 3.6702 3.8844 3.8844 3.8844 3.8844 5.2070 5.2070 5.2070 5.2070 6.6821 6.6821 6.6821 6.6821 10.2860 10.2860 10.2860 10.2860 10.3885 10.3885 k =-0.4107 0.1460 0.6550 ( 3858 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8512 -14.8512 -14.8512 -14.8512 -14.4969 -14.4969 -14.4969 -14.4969 -14.4280 -14.4280 -14.4280 -14.4280 2.7913 2.7913 2.7913 2.7913 3.0024 3.0024 3.0024 3.0024 3.4207 3.4207 3.4207 3.4207 3.6717 3.6717 3.6717 3.6717 3.8847 3.8847 3.8847 3.8847 5.2424 5.2424 5.2424 5.2424 6.6177 6.6177 6.6177 6.6177 10.3147 10.3147 10.3147 10.3147 10.4069 10.4069 k =-0.4286 0.1523 0.6550 ( 3858 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8513 -14.8513 -14.8513 -14.8513 -14.4970 -14.4970 -14.4970 -14.4970 -14.4279 -14.4279 -14.4279 -14.4279 2.7918 2.7918 2.7918 2.7918 3.0019 3.0019 3.0019 3.0019 3.4210 3.4210 3.4210 3.4210 3.6730 3.6730 3.6730 3.6730 3.8849 3.8849 3.8849 3.8849 5.2745 5.2745 5.2745 5.2745 6.5617 6.5617 6.5617 6.5617 10.3388 10.3388 10.3388 10.3388 10.4228 10.4228 k =-0.4464 0.1587 0.6550 ( 3856 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8513 -14.8513 -14.8513 -14.8513 -14.4971 -14.4971 -14.4971 -14.4971 -14.4277 -14.4277 -14.4277 -14.4277 2.7923 2.7923 2.7923 2.7923 3.0015 3.0015 3.0015 3.0015 3.4212 3.4212 3.4212 3.4212 3.6739 3.6739 3.6739 3.6739 3.8852 3.8852 3.8852 3.8852 5.3019 5.3019 5.3019 5.3019 6.5156 6.5156 6.5156 6.5156 10.3579 10.3579 10.3579 10.3579 10.4358 10.4358 k =-0.4643 0.1650 0.6550 ( 3862 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8514 -14.8514 -14.8514 -14.8514 -14.4972 -14.4972 -14.4972 -14.4972 -14.4277 -14.4277 -14.4277 -14.4277 2.7926 2.7926 2.7926 2.7926 3.0012 3.0012 3.0012 3.0012 3.4213 3.4213 3.4213 3.4213 3.6746 3.6746 3.6746 3.6746 3.8853 3.8853 3.8853 3.8853 5.3230 5.3230 5.3230 5.3230 6.4811 6.4811 6.4811 6.4811 10.3717 10.3717 10.3717 10.3717 10.4453 10.4453 k =-0.4821 0.1714 0.6550 ( 3876 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8514 -14.8514 -14.8514 -14.8514 -14.4973 -14.4973 -14.4973 -14.4973 -14.4277 -14.4277 -14.4277 -14.4277 2.7927 2.7927 2.7927 2.7927 3.0010 3.0010 3.0010 3.0010 3.4213 3.4213 3.4213 3.4213 3.6750 3.6750 3.6750 3.6750 3.8853 3.8853 3.8853 3.8853 5.3363 5.3363 5.3363 5.3363 6.4597 6.4597 6.4597 6.4597 10.3801 10.3801 10.3801 10.3801 10.4511 10.4511 k =-0.5000 0.1777 0.6550 ( 3888 PWs) bands (ev): -33.5872 -33.5872 -33.5872 -33.5872 -14.8515 -14.8515 -14.8515 -14.8515 -14.4973 -14.4973 -14.4973 -14.4973 -14.4277 -14.4277 -14.4277 -14.4277 2.7927 2.7927 2.7927 2.7927 3.0009 3.0009 3.0009 3.0009 3.4213 3.4213 3.4213 3.4213 3.6751 3.6751 3.6751 3.6751 3.8853 3.8853 3.8853 3.8853 5.3409 5.3409 5.3409 5.3409 6.4525 6.4525 6.4525 6.4525 10.3829 10.3829 10.3829 10.3829 10.4531 10.4531 Writing output data file CaAg.save init_run : 0.43s CPU 0.76s WALL ( 1 calls) electrons : 712.50s CPU 718.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 712.49s CPU 718.59s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.15s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 390 calls) cegterg : 683.77s CPU 689.31s WALL ( 1419 calls) Called by sum_band: Called by *egterg: h_psi : 431.33s CPU 445.71s WALL ( 27489 calls) s_psi : 27.73s CPU 28.73s WALL ( 27489 calls) g_psi : 0.69s CPU 0.76s WALL ( 25680 calls) cdiaghg : 177.27s CPU 167.95s WALL ( 26070 calls) cegterg:over : 28.56s CPU 25.78s WALL ( 25680 calls) cegterg:upda : 7.34s CPU 13.56s WALL ( 25680 calls) cegterg:last : 8.08s CPU 9.65s WALL ( 3662 calls) Called by h_psi: h_psi:vloc : 400.95s CPU 408.18s WALL ( 27489 calls) h_psi:vnl : 30.21s CPU 37.00s WALL ( 27489 calls) add_vuspsi : 14.13s CPU 19.07s WALL ( 27489 calls) General routines calbec : 16.06s CPU 17.87s WALL ( 27489 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 396.07s CPU 389.97s WALL ( 2056700 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.08s CPU 0.18s WALL ( 780 calls) Parallel routines fft_scatter : 353.96s CPU 236.82s WALL ( 2056723 calls) PWSCF : 12m22.35s CPU 12m39.49s WALL This run was terminated on: 16:23:15 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=