Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:30:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaSi.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 26 8 939 511 86 Max 40 27 9 944 527 89 Sum 1431 969 289 33897 18677 3111 bravais-lattice index = 14 lattice parameter (alat) = 9.8644 a.u. unit-cell volume = 442.6466 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 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)= 9.864432 celldm(2)= 1.000000 celldm(3)= 0.679766 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.734699 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.734699 0.678393 0.000000 ) a(3) = ( 0.000000 0.000000 0.679766 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.082998 -0.000000 ) b(2) = ( 0.000000 1.474071 -0.000000 ) b(3) = ( 0.000000 0.000000 1.471095 ) PseudoPot. # 1 for Ca read from file: /users/gautes/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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.3398829 ) 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 ) ( 0.3398829 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0060049 0.0153549 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0120098 0.0307098 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0180147 0.0460647 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0240195 0.0614196 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0300244 0.0767745 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0360293 0.0921294 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0420342 0.1074843 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0480391 0.1228393 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0540440 0.1381941 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0600489 0.1535491 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0660537 0.1689040 -0.0000000), wk = 0.0021739 k( 13) = ( 0.0720586 0.1842589 -0.0000000), wk = 0.0021739 k( 14) = ( 0.0780635 0.1996138 -0.0000000), wk = 0.0021739 k( 15) = ( 0.0840684 0.2149687 -0.0000000), wk = 0.0021739 k( 16) = ( 0.0900733 0.2303236 -0.0000000), wk = 0.0021739 k( 17) = ( 0.0960782 0.2456785 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1020830 0.2610334 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1080879 0.2763883 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1140928 0.2917432 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1200977 0.3070981 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1261026 0.3224530 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1321075 0.3378079 -0.0000000), wk = 0.0021739 k( 24) = ( 0.1381123 0.3531628 -0.0000000), wk = 0.0021739 k( 25) = ( 0.1441172 0.3685177 -0.0000000), wk = 0.0021739 k( 26) = ( 0.1501221 0.3838727 -0.0000000), wk = 0.0021739 k( 27) = ( 0.1561270 0.3992275 -0.0000000), wk = 0.0021739 k( 28) = ( 0.1621319 0.4145825 -0.0000000), wk = 0.0021739 k( 29) = ( 0.1681368 0.4299374 -0.0000000), wk = 0.0021739 k( 30) = ( 0.1741417 0.4452923 -0.0000000), wk = 0.0021739 k( 31) = ( 0.1801465 0.4606472 -0.0000000), wk = 0.0021739 k( 32) = ( 0.1861514 0.4760021 -0.0000000), wk = 0.0021739 k( 33) = ( 0.1921563 0.4913570 -0.0000000), wk = 0.0021739 k( 34) = ( 0.1981612 0.5067119 -0.0000000), wk = 0.0021739 k( 35) = ( 0.2041661 0.5220668 -0.0000000), wk = 0.0021739 k( 36) = ( 0.2101710 0.5374217 -0.0000000), wk = 0.0021739 k( 37) = ( 0.2161759 0.5527766 -0.0000000), wk = 0.0021739 k( 38) = ( 0.2221807 0.5681315 -0.0000000), wk = 0.0021739 k( 39) = ( 0.2281856 0.5834864 -0.0000000), wk = 0.0021739 k( 40) = ( 0.2341905 0.5988413 -0.0000000), wk = 0.0021739 k( 41) = ( 0.2401954 0.6141962 -0.0000000), wk = 0.0021739 k( 42) = ( 0.2462003 0.6295511 -0.0000000), wk = 0.0021739 k( 43) = ( 0.2522052 0.6449061 -0.0000000), wk = 0.0021739 k( 44) = ( 0.2582100 0.6602609 -0.0000000), wk = 0.0021739 k( 45) = ( 0.2642149 0.6756159 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2702198 0.6909708 -0.0000000), wk = 0.0021739 k( 47) = ( 0.2762247 0.7063257 -0.0000000), wk = 0.0021739 k( 48) = ( 0.2822296 0.7216806 -0.0000000), wk = 0.0021739 k( 49) = ( 0.2882345 0.7370355 -0.0000000), wk = 0.0021739 k( 50) = ( 0.2882345 0.7370355 -0.0000000), wk = 0.0021739 k( 51) = ( 0.2722214 0.7370355 -0.0000000), wk = 0.0021739 k( 52) = ( 0.2562084 0.7370355 -0.0000000), wk = 0.0021739 k( 53) = ( 0.2401954 0.7370355 -0.0000000), wk = 0.0021739 k( 54) = ( 0.2241824 0.7370355 -0.0000000), wk = 0.0021739 k( 55) = ( 0.2081693 0.7370355 -0.0000000), wk = 0.0021739 k( 56) = ( 0.1921563 0.7370355 -0.0000000), wk = 0.0021739 k( 57) = ( 0.1761433 0.7370355 -0.0000000), wk = 0.0021739 k( 58) = ( 0.1601303 0.7370355 -0.0000000), wk = 0.0021739 k( 59) = ( 0.1441172 0.7370355 -0.0000000), wk = 0.0021739 k( 60) = ( 0.1281042 0.7370355 -0.0000000), wk = 0.0021739 k( 61) = ( 0.1120912 0.7370355 -0.0000000), wk = 0.0021739 k( 62) = ( 0.0960782 0.7370355 -0.0000000), wk = 0.0021739 k( 63) = ( 0.0800651 0.7370355 -0.0000000), wk = 0.0021739 k( 64) = ( 0.0640521 0.7370355 -0.0000000), wk = 0.0021739 k( 65) = ( 0.0480391 0.7370355 -0.0000000), wk = 0.0021739 k( 66) = ( 0.0320261 0.7370355 -0.0000000), wk = 0.0021739 k( 67) = ( 0.0160130 0.7370355 -0.0000000), wk = 0.0021739 k( 68) = ( 0.0000000 0.7370355 -0.0000000), wk = 0.0021739 k( 69) = ( 0.0000000 0.7370355 -0.0000000), wk = 0.0021739 k( 70) = ( 0.0000000 0.7370355 0.0163455), wk = 0.0021739 k( 71) = ( 0.0000000 0.7370355 0.0326910), wk = 0.0021739 k( 72) = ( 0.0000000 0.7370355 0.0490365), wk = 0.0021739 k( 73) = ( 0.0000000 0.7370355 0.0653820), wk = 0.0021739 k( 74) = ( 0.0000000 0.7370355 0.0817275), wk = 0.0021739 k( 75) = ( 0.0000000 0.7370355 0.0980730), wk = 0.0021739 k( 76) = ( 0.0000000 0.7370355 0.1144185), wk = 0.0021739 k( 77) = ( 0.0000000 0.7370355 0.1307640), wk = 0.0021739 k( 78) = ( 0.0000000 0.7370355 0.1471095), wk = 0.0021739 k( 79) = ( 0.0000000 0.7370355 0.1634550), wk = 0.0021739 k( 80) = ( 0.0000000 0.7370355 0.1798005), wk = 0.0021739 k( 81) = ( 0.0000000 0.7370355 0.1961460), wk = 0.0021739 k( 82) = ( 0.0000000 0.7370355 0.2124915), wk = 0.0021739 k( 83) = ( 0.0000000 0.7370355 0.2288370), wk = 0.0021739 k( 84) = ( 0.0000000 0.7370355 0.2451825), wk = 0.0021739 k( 85) = ( 0.0000000 0.7370355 0.2615280), wk = 0.0021739 k( 86) = ( 0.0000000 0.7370355 0.2778735), wk = 0.0021739 k( 87) = ( 0.0000000 0.7370355 0.2942190), wk = 0.0021739 k( 88) = ( 0.0000000 0.7370355 0.3105645), wk = 0.0021739 k( 89) = ( 0.0000000 0.7370355 0.3269100), wk = 0.0021739 k( 90) = ( 0.0000000 0.7370355 0.3432555), wk = 0.0021739 k( 91) = ( 0.0000000 0.7370355 0.3596010), wk = 0.0021739 k( 92) = ( 0.0000000 0.7370355 0.3759465), wk = 0.0021739 k( 93) = ( 0.0000000 0.7370355 0.3922920), wk = 0.0021739 k( 94) = ( 0.0000000 0.7370355 0.4086375), wk = 0.0021739 k( 95) = ( 0.0000000 0.7370355 0.4249830), wk = 0.0021739 k( 96) = ( 0.0000000 0.7370355 0.4413285), wk = 0.0021739 k( 97) = ( 0.0000000 0.7370355 0.4576739), wk = 0.0021739 k( 98) = ( 0.0000000 0.7370355 0.4740194), wk = 0.0021739 k( 99) = ( 0.0000000 0.7370355 0.4903649), wk = 0.0021739 k( 100) = ( 0.0000000 0.7370355 0.5067104), wk = 0.0021739 k( 101) = ( 0.0000000 0.7370355 0.5230559), wk = 0.0021739 k( 102) = ( 0.0000000 0.7370355 0.5394014), wk = 0.0021739 k( 103) = ( 0.0000000 0.7370355 0.5557469), wk = 0.0021739 k( 104) = ( 0.0000000 0.7370355 0.5720924), wk = 0.0021739 k( 105) = ( 0.0000000 0.7370355 0.5884379), wk = 0.0021739 k( 106) = ( 0.0000000 0.7370355 0.6047834), wk = 0.0021739 k( 107) = ( 0.0000000 0.7370355 0.6211289), wk = 0.0021739 k( 108) = ( 0.0000000 0.7370355 0.6374744), wk = 0.0021739 k( 109) = ( 0.0000000 0.7370355 0.6538199), wk = 0.0021739 k( 110) = ( 0.0000000 0.7370355 0.6701654), wk = 0.0021739 k( 111) = ( 0.0000000 0.7370355 0.6865109), wk = 0.0021739 k( 112) = ( 0.0000000 0.7370355 0.7028564), wk = 0.0021739 k( 113) = ( 0.0000000 0.7370355 0.7192019), wk = 0.0021739 k( 114) = ( 0.0000000 0.7370355 0.7355474), wk = 0.0021739 k( 115) = ( 0.0000000 0.7370355 0.7355474), wk = 0.0021739 k( 116) = ( 0.0160130 0.7370355 0.7355474), wk = 0.0021739 k( 117) = ( 0.0320261 0.7370355 0.7355474), wk = 0.0021739 k( 118) = ( 0.0480391 0.7370355 0.7355474), wk = 0.0021739 k( 119) = ( 0.0640521 0.7370355 0.7355474), wk = 0.0021739 k( 120) = ( 0.0800651 0.7370355 0.7355474), wk = 0.0021739 k( 121) = ( 0.0960782 0.7370355 0.7355474), wk = 0.0021739 k( 122) = ( 0.1120912 0.7370355 0.7355474), wk = 0.0021739 k( 123) = ( 0.1281042 0.7370355 0.7355474), wk = 0.0021739 k( 124) = ( 0.1441172 0.7370355 0.7355474), wk = 0.0021739 k( 125) = ( 0.1601303 0.7370355 0.7355474), wk = 0.0021739 k( 126) = ( 0.1761433 0.7370355 0.7355474), wk = 0.0021739 k( 127) = ( 0.1921563 0.7370355 0.7355474), wk = 0.0021739 k( 128) = ( 0.2081693 0.7370355 0.7355474), wk = 0.0021739 k( 129) = ( 0.2241824 0.7370355 0.7355474), wk = 0.0021739 k( 130) = ( 0.2401954 0.7370355 0.7355474), wk = 0.0021739 k( 131) = ( 0.2562084 0.7370355 0.7355474), wk = 0.0021739 k( 132) = ( 0.2722214 0.7370355 0.7355474), wk = 0.0021739 k( 133) = ( 0.2882345 0.7370355 0.7355474), wk = 0.0021739 k( 134) = ( 0.2882345 0.7370355 0.7355474), wk = 0.0021739 k( 135) = ( 0.2822296 0.7216806 0.7355474), wk = 0.0021739 k( 136) = ( 0.2762247 0.7063257 0.7355474), wk = 0.0021739 k( 137) = ( 0.2702198 0.6909708 0.7355474), wk = 0.0021739 k( 138) = ( 0.2642149 0.6756159 0.7355474), wk = 0.0021739 k( 139) = ( 0.2582100 0.6602609 0.7355474), wk = 0.0021739 k( 140) = ( 0.2522052 0.6449061 0.7355474), wk = 0.0021739 k( 141) = ( 0.2462003 0.6295511 0.7355474), wk = 0.0021739 k( 142) = ( 0.2401954 0.6141962 0.7355474), wk = 0.0021739 k( 143) = ( 0.2341905 0.5988413 0.7355474), wk = 0.0021739 k( 144) = ( 0.2281856 0.5834864 0.7355474), wk = 0.0021739 k( 145) = ( 0.2221807 0.5681315 0.7355474), wk = 0.0021739 k( 146) = ( 0.2161759 0.5527766 0.7355474), wk = 0.0021739 k( 147) = ( 0.2101710 0.5374217 0.7355474), wk = 0.0021739 k( 148) = ( 0.2041661 0.5220668 0.7355474), wk = 0.0021739 k( 149) = ( 0.1981612 0.5067119 0.7355474), wk = 0.0021739 k( 150) = ( 0.1921563 0.4913570 0.7355474), wk = 0.0021739 k( 151) = ( 0.1861514 0.4760021 0.7355474), wk = 0.0021739 k( 152) = ( 0.1801465 0.4606472 0.7355474), wk = 0.0021739 k( 153) = ( 0.1741417 0.4452923 0.7355474), wk = 0.0021739 k( 154) = ( 0.1681368 0.4299374 0.7355474), wk = 0.0021739 k( 155) = ( 0.1621319 0.4145825 0.7355474), wk = 0.0021739 k( 156) = ( 0.1561270 0.3992275 0.7355474), wk = 0.0021739 k( 157) = ( 0.1501221 0.3838727 0.7355474), wk = 0.0021739 k( 158) = ( 0.1441172 0.3685177 0.7355474), wk = 0.0021739 k( 159) = ( 0.1381123 0.3531628 0.7355474), wk = 0.0021739 k( 160) = ( 0.1321075 0.3378079 0.7355474), wk = 0.0021739 k( 161) = ( 0.1261026 0.3224530 0.7355474), wk = 0.0021739 k( 162) = ( 0.1200977 0.3070981 0.7355474), wk = 0.0021739 k( 163) = ( 0.1140928 0.2917432 0.7355474), wk = 0.0021739 k( 164) = ( 0.1080879 0.2763883 0.7355474), wk = 0.0021739 k( 165) = ( 0.1020830 0.2610334 0.7355474), wk = 0.0021739 k( 166) = ( 0.0960782 0.2456785 0.7355474), wk = 0.0021739 k( 167) = ( 0.0900733 0.2303236 0.7355474), wk = 0.0021739 k( 168) = ( 0.0840684 0.2149687 0.7355474), wk = 0.0021739 k( 169) = ( 0.0780635 0.1996138 0.7355474), wk = 0.0021739 k( 170) = ( 0.0720586 0.1842589 0.7355474), wk = 0.0021739 k( 171) = ( 0.0660537 0.1689040 0.7355474), wk = 0.0021739 k( 172) = ( 0.0600489 0.1535491 0.7355474), wk = 0.0021739 k( 173) = ( 0.0540440 0.1381941 0.7355474), wk = 0.0021739 k( 174) = ( 0.0480391 0.1228393 0.7355474), wk = 0.0021739 k( 175) = ( 0.0420342 0.1074843 0.7355474), wk = 0.0021739 k( 176) = ( 0.0360293 0.0921294 0.7355474), wk = 0.0021739 k( 177) = ( 0.0300244 0.0767745 0.7355474), wk = 0.0021739 k( 178) = ( 0.0240195 0.0614196 0.7355474), wk = 0.0021739 k( 179) = ( 0.0180147 0.0460647 0.7355474), wk = 0.0021739 k( 180) = ( 0.0120098 0.0307098 0.7355474), wk = 0.0021739 k( 181) = ( 0.0060049 0.0153549 0.7355474), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.7355474), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.7355474), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.7192019), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.7028564), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.6865109), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.6701654), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.6538199), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.6374744), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.6211289), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.6047834), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.5884379), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.5720924), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.5557469), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.5394014), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.5230559), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.5067104), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4903649), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4740194), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.4576739), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.4413285), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.4249830), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.4086375), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.3922920), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.3759465), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.3596010), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.3432555), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.3269100), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.3105645), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.2942190), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.2778735), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.2615280), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.2451825), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.2288370), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.2124915), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.1961460), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.1798005), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.1634550), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.1471095), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.1307640), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.1144185), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.0980730), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.0817275), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.0653820), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.0490365), wk = 0.0021739 k( 226) = ( 0.0000000 0.0000000 0.0326910), wk = 0.0021739 k( 227) = ( 0.0000000 0.0000000 0.0163455), wk = 0.0021739 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 230) = ( -0.0151515 0.0059253 0.0000000), wk = 0.0021739 k( 231) = ( -0.0303030 0.0118507 0.0000000), wk = 0.0021739 k( 232) = ( -0.0454546 0.0177760 0.0000000), wk = 0.0021739 k( 233) = ( -0.0606061 0.0237014 0.0000000), wk = 0.0021739 k( 234) = ( -0.0757576 0.0296267 0.0000000), wk = 0.0021739 k( 235) = ( -0.0909091 0.0355521 0.0000000), wk = 0.0021739 k( 236) = ( -0.1060606 0.0414774 0.0000000), wk = 0.0021739 k( 237) = ( -0.1212121 0.0474028 0.0000000), wk = 0.0021739 k( 238) = ( -0.1363636 0.0533281 0.0000000), wk = 0.0021739 k( 239) = ( -0.1515151 0.0592534 0.0000000), wk = 0.0021739 k( 240) = ( -0.1666667 0.0651788 0.0000000), wk = 0.0021739 k( 241) = ( -0.1818182 0.0711041 0.0000000), wk = 0.0021739 k( 242) = ( -0.1969697 0.0770295 0.0000000), wk = 0.0021739 k( 243) = ( -0.2121212 0.0829548 0.0000000), wk = 0.0021739 k( 244) = ( -0.2272727 0.0888802 0.0000000), wk = 0.0021739 k( 245) = ( -0.2424242 0.0948055 0.0000000), wk = 0.0021739 k( 246) = ( -0.2575758 0.1007309 0.0000000), wk = 0.0021739 k( 247) = ( -0.2727273 0.1066562 0.0000000), wk = 0.0021739 k( 248) = ( -0.2878788 0.1125815 0.0000000), wk = 0.0021739 k( 249) = ( -0.3030303 0.1185069 0.0000000), wk = 0.0021739 k( 250) = ( -0.3181818 0.1244322 0.0000000), wk = 0.0021739 k( 251) = ( -0.3333333 0.1303576 0.0000000), wk = 0.0021739 k( 252) = ( -0.3484849 0.1362829 0.0000000), wk = 0.0021739 k( 253) = ( -0.3636364 0.1422083 0.0000000), wk = 0.0021739 k( 254) = ( -0.3787879 0.1481336 0.0000000), wk = 0.0021739 k( 255) = ( -0.3939394 0.1540589 0.0000000), wk = 0.0021739 k( 256) = ( -0.4090909 0.1599843 0.0000000), wk = 0.0021739 k( 257) = ( -0.4242424 0.1659096 0.0000000), wk = 0.0021739 k( 258) = ( -0.4393939 0.1718350 0.0000000), wk = 0.0021739 k( 259) = ( -0.4545455 0.1777603 0.0000000), wk = 0.0021739 k( 260) = ( -0.4696970 0.1836857 0.0000000), wk = 0.0021739 k( 261) = ( -0.4848485 0.1896110 0.0000000), wk = 0.0021739 k( 262) = ( -0.5000000 0.1955364 0.0000000), wk = 0.0021739 k( 263) = ( -0.5000000 0.1955364 0.0000000), wk = 0.0021739 k( 264) = ( -0.4939496 0.2110078 -0.0000000), wk = 0.0021739 k( 265) = ( -0.4878991 0.2264792 -0.0000000), wk = 0.0021739 k( 266) = ( -0.4818487 0.2419506 -0.0000000), wk = 0.0021739 k( 267) = ( -0.4757982 0.2574220 -0.0000000), wk = 0.0021739 k( 268) = ( -0.4697478 0.2728934 -0.0000000), wk = 0.0021739 k( 269) = ( -0.4636973 0.2883648 -0.0000000), wk = 0.0021739 k( 270) = ( -0.4576469 0.3038362 -0.0000000), wk = 0.0021739 k( 271) = ( -0.4515964 0.3193076 -0.0000000), wk = 0.0021739 k( 272) = ( -0.4455460 0.3347790 -0.0000000), wk = 0.0021739 k( 273) = ( -0.4394956 0.3502504 -0.0000000), wk = 0.0021739 k( 274) = ( -0.4334451 0.3657218 -0.0000000), wk = 0.0021739 k( 275) = ( -0.4273947 0.3811932 -0.0000000), wk = 0.0021739 k( 276) = ( -0.4213442 0.3966646 -0.0000000), wk = 0.0021739 k( 277) = ( -0.4152938 0.4121360 -0.0000000), wk = 0.0021739 k( 278) = ( -0.4092433 0.4276074 -0.0000000), wk = 0.0021739 k( 279) = ( -0.4031929 0.4430788 -0.0000000), wk = 0.0021739 k( 280) = ( -0.3971425 0.4585502 -0.0000000), wk = 0.0021739 k( 281) = ( -0.3910920 0.4740216 -0.0000000), wk = 0.0021739 k( 282) = ( -0.3850416 0.4894930 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3789911 0.5049644 -0.0000000), wk = 0.0021739 k( 284) = ( -0.3729407 0.5204358 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3668902 0.5359072 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3608398 0.5513786 -0.0000000), wk = 0.0021739 k( 287) = ( -0.3547894 0.5668500 -0.0000000), wk = 0.0021739 k( 288) = ( -0.3487389 0.5823215 -0.0000000), wk = 0.0021739 k( 289) = ( -0.3426885 0.5977929 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3366380 0.6132642 -0.0000000), wk = 0.0021739 k( 291) = ( -0.3305876 0.6287357 -0.0000000), wk = 0.0021739 k( 292) = ( -0.3245371 0.6442071 -0.0000000), wk = 0.0021739 k( 293) = ( -0.3184867 0.6596785 -0.0000000), wk = 0.0021739 k( 294) = ( -0.3124362 0.6751499 -0.0000000), wk = 0.0021739 k( 295) = ( -0.3063858 0.6906213 -0.0000000), wk = 0.0021739 k( 296) = ( -0.3003354 0.7060927 -0.0000000), wk = 0.0021739 k( 297) = ( -0.2942849 0.7215641 -0.0000000), wk = 0.0021739 k( 298) = ( -0.2882345 0.7370355 -0.0000000), wk = 0.0021739 k( 299) = ( -0.2882345 0.7370355 -0.0000000), wk = 0.0021739 k( 300) = ( -0.2882345 0.7370355 0.0163455), wk = 0.0021739 k( 301) = ( -0.2882345 0.7370355 0.0326910), wk = 0.0021739 k( 302) = ( -0.2882345 0.7370355 0.0490365), wk = 0.0021739 k( 303) = ( -0.2882345 0.7370355 0.0653820), wk = 0.0021739 k( 304) = ( -0.2882345 0.7370355 0.0817275), wk = 0.0021739 k( 305) = ( -0.2882345 0.7370355 0.0980730), wk = 0.0021739 k( 306) = ( -0.2882345 0.7370355 0.1144185), wk = 0.0021739 k( 307) = ( -0.2882345 0.7370355 0.1307640), wk = 0.0021739 k( 308) = ( -0.2882345 0.7370355 0.1471095), wk = 0.0021739 k( 309) = ( -0.2882345 0.7370355 0.1634550), wk = 0.0021739 k( 310) = ( -0.2882345 0.7370355 0.1798005), wk = 0.0021739 k( 311) = ( -0.2882345 0.7370355 0.1961460), wk = 0.0021739 k( 312) = ( -0.2882345 0.7370355 0.2124915), wk = 0.0021739 k( 313) = ( -0.2882345 0.7370355 0.2288370), wk = 0.0021739 k( 314) = ( -0.2882345 0.7370355 0.2451825), wk = 0.0021739 k( 315) = ( -0.2882345 0.7370355 0.2615280), wk = 0.0021739 k( 316) = ( -0.2882345 0.7370355 0.2778735), wk = 0.0021739 k( 317) = ( -0.2882345 0.7370355 0.2942190), wk = 0.0021739 k( 318) = ( -0.2882345 0.7370355 0.3105645), wk = 0.0021739 k( 319) = ( -0.2882345 0.7370355 0.3269100), wk = 0.0021739 k( 320) = ( -0.2882345 0.7370355 0.3432555), wk = 0.0021739 k( 321) = ( -0.2882345 0.7370355 0.3596010), wk = 0.0021739 k( 322) = ( -0.2882345 0.7370355 0.3759465), wk = 0.0021739 k( 323) = ( -0.2882345 0.7370355 0.3922920), wk = 0.0021739 k( 324) = ( -0.2882345 0.7370355 0.4086375), wk = 0.0021739 k( 325) = ( -0.2882345 0.7370355 0.4249830), wk = 0.0021739 k( 326) = ( -0.2882345 0.7370355 0.4413285), wk = 0.0021739 k( 327) = ( -0.2882345 0.7370355 0.4576739), wk = 0.0021739 k( 328) = ( -0.2882345 0.7370355 0.4740194), wk = 0.0021739 k( 329) = ( -0.2882345 0.7370355 0.4903649), wk = 0.0021739 k( 330) = ( -0.2882345 0.7370355 0.5067104), wk = 0.0021739 k( 331) = ( -0.2882345 0.7370355 0.5230559), wk = 0.0021739 k( 332) = ( -0.2882345 0.7370355 0.5394014), wk = 0.0021739 k( 333) = ( -0.2882345 0.7370355 0.5557469), wk = 0.0021739 k( 334) = ( -0.2882345 0.7370355 0.5720924), wk = 0.0021739 k( 335) = ( -0.2882345 0.7370355 0.5884379), wk = 0.0021739 k( 336) = ( -0.2882345 0.7370355 0.6047834), wk = 0.0021739 k( 337) = ( -0.2882345 0.7370355 0.6211289), wk = 0.0021739 k( 338) = ( -0.2882345 0.7370355 0.6374744), wk = 0.0021739 k( 339) = ( -0.2882345 0.7370355 0.6538199), wk = 0.0021739 k( 340) = ( -0.2882345 0.7370355 0.6701654), wk = 0.0021739 k( 341) = ( -0.2882345 0.7370355 0.6865109), wk = 0.0021739 k( 342) = ( -0.2882345 0.7370355 0.7028564), wk = 0.0021739 k( 343) = ( -0.2882345 0.7370355 0.7192019), wk = 0.0021739 k( 344) = ( -0.2882345 0.7370355 0.7355474), wk = 0.0021739 k( 345) = ( -0.2882345 0.7370355 0.7355474), wk = 0.0021739 k( 346) = ( -0.2942849 0.7215641 0.7355474), wk = 0.0021739 k( 347) = ( -0.3003354 0.7060927 0.7355474), wk = 0.0021739 k( 348) = ( -0.3063858 0.6906213 0.7355474), wk = 0.0021739 k( 349) = ( -0.3124362 0.6751499 0.7355474), wk = 0.0021739 k( 350) = ( -0.3184867 0.6596785 0.7355474), wk = 0.0021739 k( 351) = ( -0.3245371 0.6442071 0.7355474), wk = 0.0021739 k( 352) = ( -0.3305876 0.6287357 0.7355474), wk = 0.0021739 k( 353) = ( -0.3366380 0.6132642 0.7355474), wk = 0.0021739 k( 354) = ( -0.3426885 0.5977929 0.7355474), wk = 0.0021739 k( 355) = ( -0.3487389 0.5823215 0.7355474), wk = 0.0021739 k( 356) = ( -0.3547894 0.5668500 0.7355474), wk = 0.0021739 k( 357) = ( -0.3608398 0.5513786 0.7355474), wk = 0.0021739 k( 358) = ( -0.3668902 0.5359072 0.7355474), wk = 0.0021739 k( 359) = ( -0.3729407 0.5204358 0.7355474), wk = 0.0021739 k( 360) = ( -0.3789911 0.5049644 0.7355474), wk = 0.0021739 k( 361) = ( -0.3850416 0.4894930 0.7355474), wk = 0.0021739 k( 362) = ( -0.3910920 0.4740216 0.7355474), wk = 0.0021739 k( 363) = ( -0.3971425 0.4585502 0.7355474), wk = 0.0021739 k( 364) = ( -0.4031929 0.4430788 0.7355474), wk = 0.0021739 k( 365) = ( -0.4092433 0.4276074 0.7355474), wk = 0.0021739 k( 366) = ( -0.4152938 0.4121360 0.7355474), wk = 0.0021739 k( 367) = ( -0.4213442 0.3966646 0.7355474), wk = 0.0021739 k( 368) = ( -0.4273947 0.3811932 0.7355474), wk = 0.0021739 k( 369) = ( -0.4334451 0.3657218 0.7355474), wk = 0.0021739 k( 370) = ( -0.4394956 0.3502504 0.7355474), wk = 0.0021739 k( 371) = ( -0.4455460 0.3347790 0.7355474), wk = 0.0021739 k( 372) = ( -0.4515964 0.3193076 0.7355474), wk = 0.0021739 k( 373) = ( -0.4576469 0.3038362 0.7355474), wk = 0.0021739 k( 374) = ( -0.4636973 0.2883648 0.7355474), wk = 0.0021739 k( 375) = ( -0.4697478 0.2728934 0.7355474), wk = 0.0021739 k( 376) = ( -0.4757982 0.2574220 0.7355474), wk = 0.0021739 k( 377) = ( -0.4818487 0.2419506 0.7355474), wk = 0.0021739 k( 378) = ( -0.4878991 0.2264792 0.7355474), wk = 0.0021739 k( 379) = ( -0.4939496 0.2110078 0.7355474), wk = 0.0021739 k( 380) = ( -0.5000000 0.1955364 0.7355474), wk = 0.0021739 k( 381) = ( -0.5000000 0.1955364 0.7355474), wk = 0.0021739 k( 382) = ( -0.5000000 0.1955364 0.7192019), wk = 0.0021739 k( 383) = ( -0.5000000 0.1955364 0.7028564), wk = 0.0021739 k( 384) = ( -0.5000000 0.1955364 0.6865109), wk = 0.0021739 k( 385) = ( -0.5000000 0.1955364 0.6701654), wk = 0.0021739 k( 386) = ( -0.5000000 0.1955364 0.6538199), wk = 0.0021739 k( 387) = ( -0.5000000 0.1955364 0.6374744), wk = 0.0021739 k( 388) = ( -0.5000000 0.1955364 0.6211289), wk = 0.0021739 k( 389) = ( -0.5000000 0.1955364 0.6047834), wk = 0.0021739 k( 390) = ( -0.5000000 0.1955364 0.5884379), wk = 0.0021739 k( 391) = ( -0.5000000 0.1955364 0.5720924), wk = 0.0021739 k( 392) = ( -0.5000000 0.1955364 0.5557469), wk = 0.0021739 k( 393) = ( -0.5000000 0.1955364 0.5394014), wk = 0.0021739 k( 394) = ( -0.5000000 0.1955364 0.5230559), wk = 0.0021739 k( 395) = ( -0.5000000 0.1955364 0.5067104), wk = 0.0021739 k( 396) = ( -0.5000000 0.1955364 0.4903649), wk = 0.0021739 k( 397) = ( -0.5000000 0.1955364 0.4740194), wk = 0.0021739 k( 398) = ( -0.5000000 0.1955364 0.4576739), wk = 0.0021739 k( 399) = ( -0.5000000 0.1955364 0.4413285), wk = 0.0021739 k( 400) = ( -0.5000000 0.1955364 0.4249830), wk = 0.0021739 k( 401) = ( -0.5000000 0.1955364 0.4086375), wk = 0.0021739 k( 402) = ( -0.5000000 0.1955364 0.3922920), wk = 0.0021739 k( 403) = ( -0.5000000 0.1955364 0.3759465), wk = 0.0021739 k( 404) = ( -0.5000000 0.1955364 0.3596010), wk = 0.0021739 k( 405) = ( -0.5000000 0.1955364 0.3432555), wk = 0.0021739 k( 406) = ( -0.5000000 0.1955364 0.3269100), wk = 0.0021739 k( 407) = ( -0.5000000 0.1955364 0.3105645), wk = 0.0021739 k( 408) = ( -0.5000000 0.1955364 0.2942190), wk = 0.0021739 k( 409) = ( -0.5000000 0.1955364 0.2778735), wk = 0.0021739 k( 410) = ( -0.5000000 0.1955364 0.2615280), wk = 0.0021739 k( 411) = ( -0.5000000 0.1955364 0.2451825), wk = 0.0021739 k( 412) = ( -0.5000000 0.1955364 0.2288370), wk = 0.0021739 k( 413) = ( -0.5000000 0.1955364 0.2124915), wk = 0.0021739 k( 414) = ( -0.5000000 0.1955364 0.1961460), wk = 0.0021739 k( 415) = ( -0.5000000 0.1955364 0.1798005), wk = 0.0021739 k( 416) = ( -0.5000000 0.1955364 0.1634550), wk = 0.0021739 k( 417) = ( -0.5000000 0.1955364 0.1471095), wk = 0.0021739 k( 418) = ( -0.5000000 0.1955364 0.1307640), wk = 0.0021739 k( 419) = ( -0.5000000 0.1955364 0.1144185), wk = 0.0021739 k( 420) = ( -0.5000000 0.1955364 0.0980730), wk = 0.0021739 k( 421) = ( -0.5000000 0.1955364 0.0817275), wk = 0.0021739 k( 422) = ( -0.5000000 0.1955364 0.0653820), wk = 0.0021739 k( 423) = ( -0.5000000 0.1955364 0.0490365), wk = 0.0021739 k( 424) = ( -0.5000000 0.1955364 0.0326910), wk = 0.0021739 k( 425) = ( -0.5000000 0.1955364 0.0163455), wk = 0.0021739 k( 426) = ( -0.5000000 0.1955364 0.0000000), wk = 0.0021739 k( 427) = ( 0.0000000 0.0000000 0.7355474), wk = 0.0021739 k( 428) = ( -0.0151515 0.0059253 0.7355474), wk = 0.0021739 k( 429) = ( -0.0303030 0.0118507 0.7355474), wk = 0.0021739 k( 430) = ( -0.0454546 0.0177760 0.7355474), wk = 0.0021739 k( 431) = ( -0.0606061 0.0237014 0.7355474), wk = 0.0021739 k( 432) = ( -0.0757576 0.0296267 0.7355474), wk = 0.0021739 k( 433) = ( -0.0909091 0.0355521 0.7355474), wk = 0.0021739 k( 434) = ( -0.1060606 0.0414774 0.7355474), wk = 0.0021739 k( 435) = ( -0.1212121 0.0474028 0.7355474), wk = 0.0021739 k( 436) = ( -0.1363636 0.0533281 0.7355474), wk = 0.0021739 k( 437) = ( -0.1515151 0.0592534 0.7355474), wk = 0.0021739 k( 438) = ( -0.1666667 0.0651788 0.7355474), wk = 0.0021739 k( 439) = ( -0.1818182 0.0711041 0.7355474), wk = 0.0021739 k( 440) = ( -0.1969697 0.0770295 0.7355474), wk = 0.0021739 k( 441) = ( -0.2121212 0.0829548 0.7355474), wk = 0.0021739 k( 442) = ( -0.2272727 0.0888802 0.7355474), wk = 0.0021739 k( 443) = ( -0.2424242 0.0948055 0.7355474), wk = 0.0021739 k( 444) = ( -0.2575758 0.1007309 0.7355474), wk = 0.0021739 k( 445) = ( -0.2727273 0.1066562 0.7355474), wk = 0.0021739 k( 446) = ( -0.2878788 0.1125815 0.7355474), wk = 0.0021739 k( 447) = ( -0.3030303 0.1185069 0.7355474), wk = 0.0021739 k( 448) = ( -0.3181818 0.1244322 0.7355474), wk = 0.0021739 k( 449) = ( -0.3333333 0.1303576 0.7355474), wk = 0.0021739 k( 450) = ( -0.3484849 0.1362829 0.7355474), wk = 0.0021739 k( 451) = ( -0.3636364 0.1422083 0.7355474), wk = 0.0021739 k( 452) = ( -0.3787879 0.1481336 0.7355474), wk = 0.0021739 k( 453) = ( -0.3939394 0.1540589 0.7355474), wk = 0.0021739 k( 454) = ( -0.4090909 0.1599843 0.7355474), wk = 0.0021739 k( 455) = ( -0.4242424 0.1659096 0.7355474), wk = 0.0021739 k( 456) = ( -0.4393939 0.1718350 0.7355474), wk = 0.0021739 k( 457) = ( -0.4545455 0.1777603 0.7355474), wk = 0.0021739 k( 458) = ( -0.4696970 0.1836857 0.7355474), wk = 0.0021739 k( 459) = ( -0.4848485 0.1896110 0.7355474), wk = 0.0021739 k( 460) = ( -0.5000000 0.1955364 0.7355474), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0060049 0.0060049 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0120098 0.0120098 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0180147 0.0180147 0.0000000), wk = 0.0021739 k( 5) = ( 0.0240195 0.0240195 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0300244 0.0300244 0.0000000), wk = 0.0021739 k( 7) = ( 0.0360293 0.0360293 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0420342 0.0420342 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0480391 0.0480391 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0540440 0.0540440 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0600489 0.0600488 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0660537 0.0660537 -0.0000000), wk = 0.0021739 k( 13) = ( 0.0720586 0.0720586 -0.0000000), wk = 0.0021739 k( 14) = ( 0.0780635 0.0780635 0.0000000), wk = 0.0021739 k( 15) = ( 0.0840684 0.0840684 -0.0000000), wk = 0.0021739 k( 16) = ( 0.0900733 0.0900733 -0.0000000), wk = 0.0021739 k( 17) = ( 0.0960782 0.0960782 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1020830 0.1020830 0.0000000), wk = 0.0021739 k( 19) = ( 0.1080879 0.1080879 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1140928 0.1140928 0.0000000), wk = 0.0021739 k( 21) = ( 0.1200977 0.1200977 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1261026 0.1261026 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1321075 0.1321075 -0.0000000), wk = 0.0021739 k( 24) = ( 0.1381123 0.1381123 0.0000000), wk = 0.0021739 k( 25) = ( 0.1441172 0.1441172 0.0000000), wk = 0.0021739 k( 26) = ( 0.1501221 0.1501221 -0.0000000), wk = 0.0021739 k( 27) = ( 0.1561270 0.1561270 0.0000000), wk = 0.0021739 k( 28) = ( 0.1621319 0.1621319 -0.0000000), wk = 0.0021739 k( 29) = ( 0.1681368 0.1681368 -0.0000000), wk = 0.0021739 k( 30) = ( 0.1741417 0.1741417 -0.0000000), wk = 0.0021739 k( 31) = ( 0.1801465 0.1801465 -0.0000000), wk = 0.0021739 k( 32) = ( 0.1861514 0.1861514 -0.0000000), wk = 0.0021739 k( 33) = ( 0.1921563 0.1921563 0.0000000), wk = 0.0021739 k( 34) = ( 0.1981612 0.1981612 -0.0000000), wk = 0.0021739 k( 35) = ( 0.2041661 0.2041661 0.0000000), wk = 0.0021739 k( 36) = ( 0.2101710 0.2101710 -0.0000000), wk = 0.0021739 k( 37) = ( 0.2161759 0.2161759 -0.0000000), wk = 0.0021739 k( 38) = ( 0.2221807 0.2221807 -0.0000000), wk = 0.0021739 k( 39) = ( 0.2281856 0.2281856 0.0000000), wk = 0.0021739 k( 40) = ( 0.2341905 0.2341905 0.0000000), wk = 0.0021739 k( 41) = ( 0.2401954 0.2401954 -0.0000000), wk = 0.0021739 k( 42) = ( 0.2462003 0.2462003 0.0000000), wk = 0.0021739 k( 43) = ( 0.2522052 0.2522052 -0.0000000), wk = 0.0021739 k( 44) = ( 0.2582100 0.2582100 -0.0000000), wk = 0.0021739 k( 45) = ( 0.2642149 0.2642149 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2702198 0.2702198 0.0000000), wk = 0.0021739 k( 47) = ( 0.2762247 0.2762247 0.0000000), wk = 0.0021739 k( 48) = ( 0.2822296 0.2822296 0.0000000), wk = 0.0021739 k( 49) = ( 0.2882345 0.2882345 -0.0000000), wk = 0.0021739 k( 50) = ( 0.2882345 0.2882345 -0.0000000), wk = 0.0021739 k( 51) = ( 0.2722214 0.2999992 0.0000000), wk = 0.0021739 k( 52) = ( 0.2562084 0.3117640 0.0000000), wk = 0.0021739 k( 53) = ( 0.2401954 0.3235287 0.0000000), wk = 0.0021739 k( 54) = ( 0.2241824 0.3352935 0.0000000), wk = 0.0021739 k( 55) = ( 0.2081693 0.3470582 -0.0000000), wk = 0.0021739 k( 56) = ( 0.1921563 0.3588230 -0.0000000), wk = 0.0021739 k( 57) = ( 0.1761433 0.3705877 -0.0000000), wk = 0.0021739 k( 58) = ( 0.1601303 0.3823525 -0.0000000), wk = 0.0021739 k( 59) = ( 0.1441172 0.3941172 0.0000000), wk = 0.0021739 k( 60) = ( 0.1281042 0.4058820 -0.0000000), wk = 0.0021739 k( 61) = ( 0.1120912 0.4176467 -0.0000000), wk = 0.0021739 k( 62) = ( 0.0960782 0.4294115 -0.0000000), wk = 0.0021739 k( 63) = ( 0.0800651 0.4411762 -0.0000000), wk = 0.0021739 k( 64) = ( 0.0640521 0.4529410 -0.0000000), wk = 0.0021739 k( 65) = ( 0.0480391 0.4647057 0.0000000), wk = 0.0021739 k( 66) = ( 0.0320261 0.4764705 -0.0000000), wk = 0.0021739 k( 67) = ( 0.0160130 0.4882353 -0.0000000), wk = 0.0021739 k( 68) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 70) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0021739 k( 71) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0021739 k( 72) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0021739 k( 73) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0021739 k( 74) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0021739 k( 75) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0021739 k( 76) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0021739 k( 77) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0021739 k( 78) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021739 k( 79) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0021739 k( 80) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0021739 k( 81) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0021739 k( 82) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0021739 k( 83) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0021739 k( 84) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021739 k( 85) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0021739 k( 86) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0021739 k( 87) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021739 k( 88) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0021739 k( 89) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0021739 k( 90) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0021739 k( 91) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0021739 k( 92) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0021739 k( 93) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0021739 k( 94) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0021739 k( 95) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0021739 k( 96) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021739 k( 97) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0021739 k( 98) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0021739 k( 99) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021739 k( 100) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0021739 k( 101) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0021739 k( 102) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0021739 k( 103) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0021739 k( 104) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0021739 k( 105) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021739 k( 106) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0021739 k( 107) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0021739 k( 108) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0021739 k( 109) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0021739 k( 110) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0021739 k( 111) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0021739 k( 112) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0021739 k( 113) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0021739 k( 114) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 115) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 116) = ( 0.0160130 0.4882353 0.5000000), wk = 0.0021739 k( 117) = ( 0.0320261 0.4764705 0.5000000), wk = 0.0021739 k( 118) = ( 0.0480391 0.4647057 0.5000000), wk = 0.0021739 k( 119) = ( 0.0640521 0.4529410 0.5000000), wk = 0.0021739 k( 120) = ( 0.0800651 0.4411762 0.5000000), wk = 0.0021739 k( 121) = ( 0.0960782 0.4294115 0.5000000), wk = 0.0021739 k( 122) = ( 0.1120912 0.4176467 0.5000000), wk = 0.0021739 k( 123) = ( 0.1281042 0.4058820 0.5000000), wk = 0.0021739 k( 124) = ( 0.1441172 0.3941172 0.5000000), wk = 0.0021739 k( 125) = ( 0.1601303 0.3823525 0.5000000), wk = 0.0021739 k( 126) = ( 0.1761433 0.3705877 0.5000000), wk = 0.0021739 k( 127) = ( 0.1921563 0.3588230 0.5000000), wk = 0.0021739 k( 128) = ( 0.2081693 0.3470582 0.5000000), wk = 0.0021739 k( 129) = ( 0.2241824 0.3352935 0.5000000), wk = 0.0021739 k( 130) = ( 0.2401954 0.3235287 0.5000000), wk = 0.0021739 k( 131) = ( 0.2562084 0.3117640 0.5000000), wk = 0.0021739 k( 132) = ( 0.2722214 0.2999992 0.5000000), wk = 0.0021739 k( 133) = ( 0.2882345 0.2882345 0.5000000), wk = 0.0021739 k( 134) = ( 0.2882345 0.2882345 0.5000000), wk = 0.0021739 k( 135) = ( 0.2822296 0.2822296 0.5000000), wk = 0.0021739 k( 136) = ( 0.2762247 0.2762247 0.5000000), wk = 0.0021739 k( 137) = ( 0.2702198 0.2702198 0.5000000), wk = 0.0021739 k( 138) = ( 0.2642149 0.2642149 0.5000000), wk = 0.0021739 k( 139) = ( 0.2582100 0.2582100 0.5000000), wk = 0.0021739 k( 140) = ( 0.2522052 0.2522052 0.5000000), wk = 0.0021739 k( 141) = ( 0.2462003 0.2462003 0.5000000), wk = 0.0021739 k( 142) = ( 0.2401954 0.2401954 0.5000000), wk = 0.0021739 k( 143) = ( 0.2341905 0.2341905 0.5000000), wk = 0.0021739 k( 144) = ( 0.2281856 0.2281856 0.5000000), wk = 0.0021739 k( 145) = ( 0.2221807 0.2221807 0.5000000), wk = 0.0021739 k( 146) = ( 0.2161759 0.2161759 0.5000000), wk = 0.0021739 k( 147) = ( 0.2101710 0.2101710 0.5000000), wk = 0.0021739 k( 148) = ( 0.2041661 0.2041661 0.5000000), wk = 0.0021739 k( 149) = ( 0.1981612 0.1981612 0.5000000), wk = 0.0021739 k( 150) = ( 0.1921563 0.1921563 0.5000000), wk = 0.0021739 k( 151) = ( 0.1861514 0.1861514 0.5000000), wk = 0.0021739 k( 152) = ( 0.1801465 0.1801465 0.5000000), wk = 0.0021739 k( 153) = ( 0.1741417 0.1741417 0.5000000), wk = 0.0021739 k( 154) = ( 0.1681368 0.1681368 0.5000000), wk = 0.0021739 k( 155) = ( 0.1621319 0.1621319 0.5000000), wk = 0.0021739 k( 156) = ( 0.1561270 0.1561270 0.5000000), wk = 0.0021739 k( 157) = ( 0.1501221 0.1501221 0.5000000), wk = 0.0021739 k( 158) = ( 0.1441172 0.1441172 0.5000000), wk = 0.0021739 k( 159) = ( 0.1381123 0.1381123 0.5000000), wk = 0.0021739 k( 160) = ( 0.1321075 0.1321075 0.5000000), wk = 0.0021739 k( 161) = ( 0.1261026 0.1261026 0.5000000), wk = 0.0021739 k( 162) = ( 0.1200977 0.1200977 0.5000000), wk = 0.0021739 k( 163) = ( 0.1140928 0.1140928 0.5000000), wk = 0.0021739 k( 164) = ( 0.1080879 0.1080879 0.5000000), wk = 0.0021739 k( 165) = ( 0.1020830 0.1020830 0.5000000), wk = 0.0021739 k( 166) = ( 0.0960782 0.0960782 0.5000000), wk = 0.0021739 k( 167) = ( 0.0900733 0.0900733 0.5000000), wk = 0.0021739 k( 168) = ( 0.0840684 0.0840684 0.5000000), wk = 0.0021739 k( 169) = ( 0.0780635 0.0780635 0.5000000), wk = 0.0021739 k( 170) = ( 0.0720586 0.0720586 0.5000000), wk = 0.0021739 k( 171) = ( 0.0660537 0.0660537 0.5000000), wk = 0.0021739 k( 172) = ( 0.0600489 0.0600488 0.5000000), wk = 0.0021739 k( 173) = ( 0.0540440 0.0540440 0.5000000), wk = 0.0021739 k( 174) = ( 0.0480391 0.0480391 0.5000000), wk = 0.0021739 k( 175) = ( 0.0420342 0.0420342 0.5000000), wk = 0.0021739 k( 176) = ( 0.0360293 0.0360293 0.5000000), wk = 0.0021739 k( 177) = ( 0.0300244 0.0300244 0.5000000), wk = 0.0021739 k( 178) = ( 0.0240195 0.0240195 0.5000000), wk = 0.0021739 k( 179) = ( 0.0180147 0.0180147 0.5000000), wk = 0.0021739 k( 180) = ( 0.0120098 0.0120098 0.5000000), wk = 0.0021739 k( 181) = ( 0.0060049 0.0060049 0.5000000), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0021739 k( 226) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0021739 k( 227) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0021739 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 230) = ( -0.0151515 0.0151515 0.0000000), wk = 0.0021739 k( 231) = ( -0.0303030 0.0303030 0.0000000), wk = 0.0021739 k( 232) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0021739 k( 233) = ( -0.0606061 0.0606061 0.0000000), wk = 0.0021739 k( 234) = ( -0.0757576 0.0757576 -0.0000000), wk = 0.0021739 k( 235) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0021739 k( 236) = ( -0.1060606 0.1060606 -0.0000000), wk = 0.0021739 k( 237) = ( -0.1212121 0.1212121 0.0000000), wk = 0.0021739 k( 238) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0021739 k( 239) = ( -0.1515151 0.1515151 -0.0000000), wk = 0.0021739 k( 240) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0021739 k( 241) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0021739 k( 242) = ( -0.1969697 0.1969697 0.0000000), wk = 0.0021739 k( 243) = ( -0.2121212 0.2121212 -0.0000000), wk = 0.0021739 k( 244) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0021739 k( 245) = ( -0.2424242 0.2424242 0.0000000), wk = 0.0021739 k( 246) = ( -0.2575758 0.2575758 -0.0000000), wk = 0.0021739 k( 247) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0021739 k( 248) = ( -0.2878788 0.2878788 0.0000000), wk = 0.0021739 k( 249) = ( -0.3030303 0.3030303 -0.0000000), wk = 0.0021739 k( 250) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0021739 k( 251) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0021739 k( 252) = ( -0.3484849 0.3484849 -0.0000000), wk = 0.0021739 k( 253) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0021739 k( 254) = ( -0.3787879 0.3787879 -0.0000000), wk = 0.0021739 k( 255) = ( -0.3939394 0.3939394 0.0000000), wk = 0.0021739 k( 256) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0021739 k( 257) = ( -0.4242424 0.4242424 -0.0000000), wk = 0.0021739 k( 258) = ( -0.4393939 0.4393939 -0.0000000), wk = 0.0021739 k( 259) = ( -0.4545455 0.4545455 -0.0000000), wk = 0.0021739 k( 260) = ( -0.4696970 0.4696970 -0.0000000), wk = 0.0021739 k( 261) = ( -0.4848485 0.4848485 0.0000000), wk = 0.0021739 k( 262) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 263) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 264) = ( -0.4939496 0.5060504 -0.0000000), wk = 0.0021739 k( 265) = ( -0.4878991 0.5121009 -0.0000000), wk = 0.0021739 k( 266) = ( -0.4818487 0.5181513 0.0000000), wk = 0.0021739 k( 267) = ( -0.4757982 0.5242018 -0.0000000), wk = 0.0021739 k( 268) = ( -0.4697478 0.5302522 -0.0000000), wk = 0.0021739 k( 269) = ( -0.4636973 0.5363027 -0.0000000), wk = 0.0021739 k( 270) = ( -0.4576469 0.5423531 0.0000000), wk = 0.0021739 k( 271) = ( -0.4515964 0.5484035 -0.0000000), wk = 0.0021739 k( 272) = ( -0.4455460 0.5544540 0.0000000), wk = 0.0021739 k( 273) = ( -0.4394956 0.5605044 0.0000000), wk = 0.0021739 k( 274) = ( -0.4334451 0.5665549 0.0000000), wk = 0.0021739 k( 275) = ( -0.4273947 0.5726053 0.0000000), wk = 0.0021739 k( 276) = ( -0.4213442 0.5786558 -0.0000000), wk = 0.0021739 k( 277) = ( -0.4152938 0.5847062 0.0000000), wk = 0.0021739 k( 278) = ( -0.4092433 0.5907567 0.0000000), wk = 0.0021739 k( 279) = ( -0.4031929 0.5968071 -0.0000000), wk = 0.0021739 k( 280) = ( -0.3971425 0.6028575 -0.0000000), wk = 0.0021739 k( 281) = ( -0.3910920 0.6089080 -0.0000000), wk = 0.0021739 k( 282) = ( -0.3850416 0.6149584 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3789911 0.6210089 -0.0000000), wk = 0.0021739 k( 284) = ( -0.3729407 0.6270593 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3668902 0.6331098 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3608398 0.6391602 0.0000000), wk = 0.0021739 k( 287) = ( -0.3547894 0.6452106 -0.0000000), wk = 0.0021739 k( 288) = ( -0.3487389 0.6512611 0.0000000), wk = 0.0021739 k( 289) = ( -0.3426885 0.6573115 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3366380 0.6633620 -0.0000000), wk = 0.0021739 k( 291) = ( -0.3305876 0.6694124 0.0000000), wk = 0.0021739 k( 292) = ( -0.3245371 0.6754629 -0.0000000), wk = 0.0021739 k( 293) = ( -0.3184867 0.6815133 -0.0000000), wk = 0.0021739 k( 294) = ( -0.3124362 0.6875638 0.0000000), wk = 0.0021739 k( 295) = ( -0.3063858 0.6936142 0.0000000), wk = 0.0021739 k( 296) = ( -0.3003354 0.6996646 -0.0000000), wk = 0.0021739 k( 297) = ( -0.2942849 0.7057151 0.0000000), wk = 0.0021739 k( 298) = ( -0.2882345 0.7117655 0.0000000), wk = 0.0021739 k( 299) = ( -0.2882345 0.7117655 0.0000000), wk = 0.0021739 k( 300) = ( -0.2882345 0.7117655 0.0111111), wk = 0.0021739 k( 301) = ( -0.2882345 0.7117655 0.0222222), wk = 0.0021739 k( 302) = ( -0.2882345 0.7117655 0.0333333), wk = 0.0021739 k( 303) = ( -0.2882345 0.7117655 0.0444444), wk = 0.0021739 k( 304) = ( -0.2882345 0.7117655 0.0555556), wk = 0.0021739 k( 305) = ( -0.2882345 0.7117655 0.0666667), wk = 0.0021739 k( 306) = ( -0.2882345 0.7117655 0.0777778), wk = 0.0021739 k( 307) = ( -0.2882345 0.7117655 0.0888889), wk = 0.0021739 k( 308) = ( -0.2882345 0.7117655 0.1000000), wk = 0.0021739 k( 309) = ( -0.2882345 0.7117655 0.1111111), wk = 0.0021739 k( 310) = ( -0.2882345 0.7117655 0.1222222), wk = 0.0021739 k( 311) = ( -0.2882345 0.7117655 0.1333333), wk = 0.0021739 k( 312) = ( -0.2882345 0.7117655 0.1444444), wk = 0.0021739 k( 313) = ( -0.2882345 0.7117655 0.1555556), wk = 0.0021739 k( 314) = ( -0.2882345 0.7117655 0.1666667), wk = 0.0021739 k( 315) = ( -0.2882345 0.7117655 0.1777778), wk = 0.0021739 k( 316) = ( -0.2882345 0.7117655 0.1888889), wk = 0.0021739 k( 317) = ( -0.2882345 0.7117655 0.2000000), wk = 0.0021739 k( 318) = ( -0.2882345 0.7117655 0.2111111), wk = 0.0021739 k( 319) = ( -0.2882345 0.7117655 0.2222222), wk = 0.0021739 k( 320) = ( -0.2882345 0.7117655 0.2333333), wk = 0.0021739 k( 321) = ( -0.2882345 0.7117655 0.2444444), wk = 0.0021739 k( 322) = ( -0.2882345 0.7117655 0.2555556), wk = 0.0021739 k( 323) = ( -0.2882345 0.7117655 0.2666667), wk = 0.0021739 k( 324) = ( -0.2882345 0.7117655 0.2777778), wk = 0.0021739 k( 325) = ( -0.2882345 0.7117655 0.2888889), wk = 0.0021739 k( 326) = ( -0.2882345 0.7117655 0.3000000), wk = 0.0021739 k( 327) = ( -0.2882345 0.7117655 0.3111111), wk = 0.0021739 k( 328) = ( -0.2882345 0.7117655 0.3222222), wk = 0.0021739 k( 329) = ( -0.2882345 0.7117655 0.3333333), wk = 0.0021739 k( 330) = ( -0.2882345 0.7117655 0.3444444), wk = 0.0021739 k( 331) = ( -0.2882345 0.7117655 0.3555556), wk = 0.0021739 k( 332) = ( -0.2882345 0.7117655 0.3666667), wk = 0.0021739 k( 333) = ( -0.2882345 0.7117655 0.3777778), wk = 0.0021739 k( 334) = ( -0.2882345 0.7117655 0.3888889), wk = 0.0021739 k( 335) = ( -0.2882345 0.7117655 0.4000000), wk = 0.0021739 k( 336) = ( -0.2882345 0.7117655 0.4111111), wk = 0.0021739 k( 337) = ( -0.2882345 0.7117655 0.4222222), wk = 0.0021739 k( 338) = ( -0.2882345 0.7117655 0.4333333), wk = 0.0021739 k( 339) = ( -0.2882345 0.7117655 0.4444444), wk = 0.0021739 k( 340) = ( -0.2882345 0.7117655 0.4555556), wk = 0.0021739 k( 341) = ( -0.2882345 0.7117655 0.4666667), wk = 0.0021739 k( 342) = ( -0.2882345 0.7117655 0.4777778), wk = 0.0021739 k( 343) = ( -0.2882345 0.7117655 0.4888889), wk = 0.0021739 k( 344) = ( -0.2882345 0.7117655 0.5000000), wk = 0.0021739 k( 345) = ( -0.2882345 0.7117655 0.5000000), wk = 0.0021739 k( 346) = ( -0.2942849 0.7057151 0.5000000), wk = 0.0021739 k( 347) = ( -0.3003354 0.6996646 0.5000000), wk = 0.0021739 k( 348) = ( -0.3063858 0.6936142 0.5000000), wk = 0.0021739 k( 349) = ( -0.3124362 0.6875638 0.5000000), wk = 0.0021739 k( 350) = ( -0.3184867 0.6815133 0.5000000), wk = 0.0021739 k( 351) = ( -0.3245371 0.6754629 0.5000000), wk = 0.0021739 k( 352) = ( -0.3305876 0.6694124 0.5000000), wk = 0.0021739 k( 353) = ( -0.3366380 0.6633620 0.5000000), wk = 0.0021739 k( 354) = ( -0.3426885 0.6573115 0.5000000), wk = 0.0021739 k( 355) = ( -0.3487389 0.6512611 0.5000000), wk = 0.0021739 k( 356) = ( -0.3547894 0.6452106 0.5000000), wk = 0.0021739 k( 357) = ( -0.3608398 0.6391602 0.5000000), wk = 0.0021739 k( 358) = ( -0.3668902 0.6331098 0.5000000), wk = 0.0021739 k( 359) = ( -0.3729407 0.6270593 0.5000000), wk = 0.0021739 k( 360) = ( -0.3789911 0.6210089 0.5000000), wk = 0.0021739 k( 361) = ( -0.3850416 0.6149584 0.5000000), wk = 0.0021739 k( 362) = ( -0.3910920 0.6089080 0.5000000), wk = 0.0021739 k( 363) = ( -0.3971425 0.6028575 0.5000000), wk = 0.0021739 k( 364) = ( -0.4031929 0.5968071 0.5000000), wk = 0.0021739 k( 365) = ( -0.4092433 0.5907567 0.5000000), wk = 0.0021739 k( 366) = ( -0.4152938 0.5847062 0.5000000), wk = 0.0021739 k( 367) = ( -0.4213442 0.5786558 0.5000000), wk = 0.0021739 k( 368) = ( -0.4273947 0.5726053 0.5000000), wk = 0.0021739 k( 369) = ( -0.4334451 0.5665549 0.5000000), wk = 0.0021739 k( 370) = ( -0.4394956 0.5605044 0.5000000), wk = 0.0021739 k( 371) = ( -0.4455460 0.5544540 0.5000000), wk = 0.0021739 k( 372) = ( -0.4515964 0.5484035 0.5000000), wk = 0.0021739 k( 373) = ( -0.4576469 0.5423531 0.5000000), wk = 0.0021739 k( 374) = ( -0.4636973 0.5363027 0.5000000), wk = 0.0021739 k( 375) = ( -0.4697478 0.5302522 0.5000000), wk = 0.0021739 k( 376) = ( -0.4757982 0.5242018 0.5000000), wk = 0.0021739 k( 377) = ( -0.4818487 0.5181513 0.5000000), wk = 0.0021739 k( 378) = ( -0.4878991 0.5121009 0.5000000), wk = 0.0021739 k( 379) = ( -0.4939496 0.5060504 0.5000000), wk = 0.0021739 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 382) = ( -0.5000000 0.5000000 0.4888889), wk = 0.0021739 k( 383) = ( -0.5000000 0.5000000 0.4777778), wk = 0.0021739 k( 384) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0021739 k( 385) = ( -0.5000000 0.5000000 0.4555556), wk = 0.0021739 k( 386) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0021739 k( 387) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0021739 k( 388) = ( -0.5000000 0.5000000 0.4222222), wk = 0.0021739 k( 389) = ( -0.5000000 0.5000000 0.4111111), wk = 0.0021739 k( 390) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021739 k( 391) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0021739 k( 392) = ( -0.5000000 0.5000000 0.3777778), wk = 0.0021739 k( 393) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0021739 k( 394) = ( -0.5000000 0.5000000 0.3555556), wk = 0.0021739 k( 395) = ( -0.5000000 0.5000000 0.3444444), wk = 0.0021739 k( 396) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0021739 k( 397) = ( -0.5000000 0.5000000 0.3222222), wk = 0.0021739 k( 398) = ( -0.5000000 0.5000000 0.3111111), wk = 0.0021739 k( 399) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021739 k( 400) = ( -0.5000000 0.5000000 0.2888889), wk = 0.0021739 k( 401) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0021739 k( 402) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0021739 k( 403) = ( -0.5000000 0.5000000 0.2555556), wk = 0.0021739 k( 404) = ( -0.5000000 0.5000000 0.2444444), wk = 0.0021739 k( 405) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0021739 k( 406) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0021739 k( 407) = ( -0.5000000 0.5000000 0.2111111), wk = 0.0021739 k( 408) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021739 k( 409) = ( -0.5000000 0.5000000 0.1888889), wk = 0.0021739 k( 410) = ( -0.5000000 0.5000000 0.1777778), wk = 0.0021739 k( 411) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0021739 k( 412) = ( -0.5000000 0.5000000 0.1555556), wk = 0.0021739 k( 413) = ( -0.5000000 0.5000000 0.1444444), wk = 0.0021739 k( 414) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0021739 k( 415) = ( -0.5000000 0.5000000 0.1222222), wk = 0.0021739 k( 416) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0021739 k( 417) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021739 k( 418) = ( -0.5000000 0.5000000 0.0888889), wk = 0.0021739 k( 419) = ( -0.5000000 0.5000000 0.0777778), wk = 0.0021739 k( 420) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0021739 k( 421) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0021739 k( 422) = ( -0.5000000 0.5000000 0.0444444), wk = 0.0021739 k( 423) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0021739 k( 424) = ( -0.5000000 0.5000000 0.0222222), wk = 0.0021739 k( 425) = ( -0.5000000 0.5000000 0.0111111), wk = 0.0021739 k( 426) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 427) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 428) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0021739 k( 429) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0021739 k( 430) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0021739 k( 431) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0021739 k( 432) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0021739 k( 433) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0021739 k( 434) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0021739 k( 435) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0021739 k( 436) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0021739 k( 437) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0021739 k( 438) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021739 k( 439) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0021739 k( 440) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0021739 k( 441) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0021739 k( 442) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0021739 k( 443) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0021739 k( 444) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0021739 k( 445) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0021739 k( 446) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0021739 k( 447) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0021739 k( 448) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0021739 k( 449) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 450) = ( -0.3484849 0.3484849 0.5000000), wk = 0.0021739 k( 451) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0021739 k( 452) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0021739 k( 453) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0021739 k( 454) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0021739 k( 455) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0021739 k( 456) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0021739 k( 457) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0021739 k( 458) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0021739 k( 459) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0021739 k( 460) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 33897 G-vectors FFT dimensions: ( 54, 54, 36) Smooth grid: 18677 G-vectors FFT dimensions: ( 45, 45, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 144, 36) NL pseudopotentials 0.15 Mb ( 72, 136) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 944) G-vector shells 0.00 Mb ( 477) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 144, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaSi.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.0 secs Computing kpt #: 27 total cpu time spent up to now is 13.4 secs Computing kpt #: 28 total cpu time spent up to now is 13.8 secs Computing kpt #: 29 total cpu time spent up to now is 14.2 secs Computing kpt #: 30 total cpu time spent up to now is 14.5 secs Computing kpt #: 31 total cpu time spent up to now is 14.9 secs Computing kpt #: 32 total cpu time spent up to now is 15.3 secs Computing kpt #: 33 total cpu time spent up to now is 15.7 secs Computing kpt #: 34 total cpu time spent up to now is 16.1 secs Computing kpt #: 35 total cpu time spent up to now is 16.5 secs Computing kpt #: 36 total cpu time spent up to now is 16.8 secs Computing kpt #: 37 total cpu time spent up to now is 17.2 secs Computing kpt #: 38 total cpu time spent up to now is 17.6 secs Computing kpt #: 39 total cpu time spent up to now is 18.1 secs Computing kpt #: 40 total cpu time spent up to now is 18.5 secs Computing kpt #: 41 total cpu time spent up to now is 18.9 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.8 secs Computing kpt #: 44 total cpu time spent up to now is 20.2 secs Computing kpt #: 45 total cpu time spent up to now is 20.7 secs Computing kpt #: 46 total cpu time spent up to now is 21.1 secs Computing kpt #: 47 total cpu time spent up to now is 21.6 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.4 secs Computing kpt #: 49 total cpu time spent up to now is 22.7 secs Computing kpt #: 50 total cpu time spent up to now is 23.1 secs Computing kpt #: 51 total cpu time spent up to now is 23.4 secs Computing kpt #: 52 total cpu time spent up to now is 23.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.6 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.9 secs Computing kpt #: 57 total cpu time spent up to now is 26.4 secs Computing kpt #: 58 total cpu time spent up to now is 26.8 secs Computing kpt #: 59 total cpu time spent up to now is 27.3 secs Computing kpt #: 60 total cpu time spent up to now is 27.7 secs Computing kpt #: 61 total cpu time spent up to now is 28.2 secs Computing kpt #: 62 total cpu time spent up to now is 28.6 secs Computing kpt #: 63 total cpu time spent up to now is 29.1 secs Computing kpt #: 64 total cpu time spent up to now is 29.6 secs Computing kpt #: 65 total cpu time spent up to now is 30.1 secs Computing kpt #: 66 total cpu time spent up to now is 30.5 secs Computing kpt #: 67 total cpu time spent up to now is 31.0 secs Computing kpt #: 68 total cpu time spent up to now is 31.4 secs Computing kpt #: 69 total cpu time spent up to now is 31.9 secs Computing kpt #: 70 total cpu time spent up to now is 32.3 secs Computing kpt #: 71 total cpu time spent up to now is 32.7 secs Computing kpt #: 72 total cpu time spent up to now is 33.1 secs Computing kpt #: 73 total cpu time spent up to now is 33.5 secs Computing kpt #: 74 total cpu time spent up to now is 34.0 secs Computing kpt #: 75 total cpu time spent up to now is 34.4 secs Computing kpt #: 76 total cpu time spent up to now is 34.9 secs Computing kpt #: 77 total cpu time spent up to now is 35.4 secs Computing kpt #: 78 total cpu time spent up to now is 35.9 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 36.9 secs Computing kpt #: 82 total cpu time spent up to now is 37.2 secs Computing kpt #: 83 total cpu time spent up to now is 37.6 secs Computing kpt #: 84 total cpu time spent up to now is 37.9 secs Computing kpt #: 85 total cpu time spent up to now is 38.3 secs Computing kpt #: 86 total cpu time spent up to now is 38.7 secs Computing kpt #: 87 total cpu time spent up to now is 39.1 secs Computing kpt #: 88 total cpu time spent up to now is 39.4 secs Computing kpt #: 89 total cpu time spent up to now is 39.8 secs Computing kpt #: 90 total cpu time spent up to now is 40.3 secs Computing kpt #: 91 total cpu time spent up to now is 40.7 secs Computing kpt #: 92 total cpu time spent up to now is 41.2 secs Computing kpt #: 93 total cpu time spent up to now is 41.7 secs Computing kpt #: 94 total cpu time spent up to now is 42.2 secs Computing kpt #: 95 total cpu time spent up to now is 42.8 secs Computing kpt #: 96 total cpu time spent up to now is 43.4 secs Computing kpt #: 97 total cpu time spent up to now is 44.0 secs Computing kpt #: 98 total cpu time spent up to now is 44.6 secs Computing kpt #: 99 total cpu time spent up to now is 45.2 secs Computing kpt #: 100 total cpu time spent up to now is 45.8 secs Computing kpt #: 101 total cpu time spent up to now is 46.4 secs Computing kpt #: 102 total cpu time spent up to now is 47.0 secs Computing kpt #: 103 total cpu time spent up to now is 47.5 secs Computing kpt #: 104 total cpu time spent up to now is 48.1 secs Computing kpt #: 105 total cpu time spent up to now is 48.6 secs Computing kpt #: 106 total cpu time spent up to now is 49.2 secs Computing kpt #: 107 total cpu time spent up to now is 49.7 secs Computing kpt #: 108 total cpu time spent up to now is 50.2 secs Computing kpt #: 109 total cpu time spent up to now is 50.8 secs Computing kpt #: 110 total cpu time spent up to now is 51.3 secs Computing kpt #: 111 total cpu time spent up to now is 51.8 secs Computing kpt #: 112 total cpu time spent up to now is 52.3 secs Computing kpt #: 113 total cpu time spent up to now is 52.7 secs Computing kpt #: 114 total cpu time spent up to now is 53.2 secs Computing kpt #: 115 total cpu time spent up to now is 53.6 secs Computing kpt #: 116 total cpu time spent up to now is 54.1 secs Computing kpt #: 117 total cpu time spent up to now is 54.5 secs Computing kpt #: 118 total cpu time spent up to now is 55.0 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.9 secs Computing kpt #: 121 total cpu time spent up to now is 56.3 secs Computing kpt #: 122 total cpu time spent up to now is 56.7 secs Computing kpt #: 123 total cpu time spent up to now is 57.1 secs Computing kpt #: 124 total cpu time spent up to now is 57.5 secs Computing kpt #: 125 total cpu time spent up to now is 57.9 secs Computing kpt #: 126 total cpu time spent up to now is 58.3 secs Computing kpt #: 127 total cpu time spent up to now is 58.7 secs Computing kpt #: 128 total cpu time spent up to now is 59.1 secs Computing kpt #: 129 total cpu time spent up to now is 59.4 secs Computing kpt #: 130 total cpu time spent up to now is 59.8 secs Computing kpt #: 131 total cpu time spent up to now is 60.2 secs Computing kpt #: 132 total cpu time spent up to now is 60.5 secs Computing kpt #: 133 total cpu time spent up to now is 60.9 secs Computing kpt #: 134 total cpu time spent up to now is 61.2 secs Computing kpt #: 135 total cpu time spent up to now is 61.6 secs Computing kpt #: 136 total cpu time spent up to now is 61.9 secs Computing kpt #: 137 total cpu time spent up to now is 62.3 secs Computing kpt #: 138 total cpu time spent up to now is 62.7 secs Computing kpt #: 139 total cpu time spent up to now is 63.1 secs Computing kpt #: 140 total cpu time spent up to now is 63.5 secs Computing kpt #: 141 total cpu time spent up to now is 63.9 secs Computing kpt #: 142 total cpu time spent up to now is 64.2 secs Computing kpt #: 143 total cpu time spent up to now is 64.6 secs Computing kpt #: 144 total cpu time spent up to now is 64.9 secs Computing kpt #: 145 total cpu time spent up to now is 65.3 secs Computing kpt #: 146 total cpu time spent up to now is 65.6 secs Computing kpt #: 147 total cpu time spent up to now is 65.9 secs Computing kpt #: 148 total cpu time spent up to now is 66.2 secs Computing kpt #: 149 total cpu time spent up to now is 66.5 secs Computing kpt #: 150 total cpu time spent up to now is 66.8 secs Computing kpt #: 151 total cpu time spent up to now is 67.1 secs Computing kpt #: 152 total cpu time spent up to now is 67.5 secs Computing kpt #: 153 total cpu time spent up to now is 67.8 secs Computing kpt #: 154 total cpu time spent up to now is 68.1 secs Computing kpt #: 155 total cpu time spent up to now is 68.4 secs Computing kpt #: 156 total cpu time spent up to now is 68.7 secs Computing kpt #: 157 total cpu time spent up to now is 69.0 secs Computing kpt #: 158 total cpu time spent up to now is 69.3 secs Computing kpt #: 159 total cpu time spent up to now is 69.6 secs Computing kpt #: 160 total cpu time spent up to now is 70.0 secs Computing kpt #: 161 total cpu time spent up to now is 70.3 secs Computing kpt #: 162 total cpu time spent up to now is 70.6 secs Computing kpt #: 163 total cpu time spent up to now is 70.9 secs Computing kpt #: 164 total cpu time spent up to now is 71.3 secs Computing kpt #: 165 total cpu time spent up to now is 71.7 secs Computing kpt #: 166 total cpu time spent up to now is 72.1 secs Computing kpt #: 167 total cpu time spent up to now is 72.4 secs Computing kpt #: 168 total cpu time spent up to now is 72.8 secs Computing kpt #: 169 total cpu time spent up to now is 73.2 secs Computing kpt #: 170 total cpu time spent up to now is 73.7 secs Computing kpt #: 171 total cpu time spent up to now is 74.1 secs Computing kpt #: 172 total cpu time spent up to now is 74.5 secs Computing kpt #: 173 total cpu time spent up to now is 74.9 secs Computing kpt #: 174 total cpu time spent up to now is 75.4 secs Computing kpt #: 175 total cpu time spent up to now is 75.8 secs Computing kpt #: 176 total cpu time spent up to now is 76.2 secs Computing kpt #: 177 total cpu time spent up to now is 76.7 secs Computing kpt #: 178 total cpu time spent up to now is 77.2 secs Computing kpt #: 179 total cpu time spent up to now is 77.7 secs Computing kpt #: 180 total cpu time spent up to now is 78.3 secs Computing kpt #: 181 total cpu time spent up to now is 78.9 secs Computing kpt #: 182 total cpu time spent up to now is 79.7 secs Computing kpt #: 183 total cpu time spent up to now is 80.3 secs Computing kpt #: 184 total cpu time spent up to now is 81.0 secs Computing kpt #: 185 total cpu time spent up to now is 81.7 secs Computing kpt #: 186 total cpu time spent up to now is 82.3 secs Computing kpt #: 187 total cpu time spent up to now is 82.9 secs Computing kpt #: 188 total cpu time spent up to now is 83.5 secs Computing kpt #: 189 total cpu time spent up to now is 83.9 secs Computing kpt #: 190 total cpu time spent up to now is 84.5 secs Computing kpt #: 191 total cpu time spent up to now is 85.0 secs Computing kpt #: 192 total cpu time spent up to now is 85.5 secs Computing kpt #: 193 total cpu time spent up to now is 86.1 secs Computing kpt #: 194 total cpu time spent up to now is 86.6 secs Computing kpt #: 195 total cpu time spent up to now is 87.1 secs Computing kpt #: 196 total cpu time spent up to now is 87.6 secs Computing kpt #: 197 total cpu time spent up to now is 88.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.0 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 200 total cpu time spent up to now is 90.3 secs Computing kpt #: 201 total cpu time spent up to now is 90.6 secs Computing kpt #: 202 total cpu time spent up to now is 91.0 secs Computing kpt #: 203 total cpu time spent up to now is 91.3 secs Computing kpt #: 204 total cpu time spent up to now is 91.6 secs Computing kpt #: 205 total cpu time spent up to now is 91.9 secs Computing kpt #: 206 total cpu time spent up to now is 92.3 secs Computing kpt #: 207 total cpu time spent up to now is 92.6 secs Computing kpt #: 208 total cpu time spent up to now is 92.9 secs Computing kpt #: 209 total cpu time spent up to now is 93.2 secs Computing kpt #: 210 total cpu time spent up to now is 93.5 secs Computing kpt #: 211 total cpu time spent up to now is 93.9 secs Computing kpt #: 212 total cpu time spent up to now is 94.2 secs Computing kpt #: 213 total cpu time spent up to now is 94.5 secs Computing kpt #: 214 total cpu time spent up to now is 94.8 secs Computing kpt #: 215 total cpu time spent up to now is 95.1 secs Computing kpt #: 216 total cpu time spent up to now is 95.5 secs Computing kpt #: 217 total cpu time spent up to now is 95.8 secs Computing kpt #: 218 total cpu time spent up to now is 96.1 secs Computing kpt #: 219 total cpu time spent up to now is 96.4 secs Computing kpt #: 220 total cpu time spent up to now is 96.8 secs Computing kpt #: 221 total cpu time spent up to now is 97.1 secs Computing kpt #: 222 total cpu time spent up to now is 97.4 secs Computing kpt #: 223 total cpu time spent up to now is 97.8 secs Computing kpt #: 224 total cpu time spent up to now is 98.1 secs Computing kpt #: 225 total cpu time spent up to now is 98.5 secs Computing kpt #: 226 total cpu time spent up to now is 98.8 secs Computing kpt #: 227 total cpu time spent up to now is 99.1 secs Computing kpt #: 228 total cpu time spent up to now is 99.5 secs Computing kpt #: 229 total cpu time spent up to now is 99.8 secs Computing kpt #: 230 total cpu time spent up to now is 100.1 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.0 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.9 secs Computing kpt #: 233 total cpu time spent up to now is 102.6 secs Computing kpt #: 234 total cpu time spent up to now is 103.3 secs Computing kpt #: 235 total cpu time spent up to now is 103.8 secs Computing kpt #: 236 total cpu time spent up to now is 104.2 secs Computing kpt #: 237 total cpu time spent up to now is 104.8 secs Computing kpt #: 238 total cpu time spent up to now is 105.2 secs Computing kpt #: 239 total cpu time spent up to now is 105.7 secs Computing kpt #: 240 total cpu time spent up to now is 106.2 secs Computing kpt #: 241 total cpu time spent up to now is 106.7 secs Computing kpt #: 242 total cpu time spent up to now is 107.1 secs Computing kpt #: 243 total cpu time spent up to now is 107.6 secs Computing kpt #: 244 total cpu time spent up to now is 108.0 secs Computing kpt #: 245 total cpu time spent up to now is 108.5 secs Computing kpt #: 246 total cpu time spent up to now is 108.9 secs Computing kpt #: 247 total cpu time spent up to now is 109.4 secs Computing kpt #: 248 total cpu time spent up to now is 109.9 secs Computing kpt #: 249 total cpu time spent up to now is 110.3 secs Computing kpt #: 250 total cpu time spent up to now is 110.8 secs Computing kpt #: 251 total cpu time spent up to now is 111.2 secs Computing kpt #: 252 total cpu time spent up to now is 111.7 secs Computing kpt #: 253 total cpu time spent up to now is 112.2 secs Computing kpt #: 254 total cpu time spent up to now is 112.7 secs Computing kpt #: 255 total cpu time spent up to now is 113.1 secs Computing kpt #: 256 total cpu time spent up to now is 113.7 secs Computing kpt #: 257 total cpu time spent up to now is 114.2 secs Computing kpt #: 258 total cpu time spent up to now is 114.6 secs Computing kpt #: 259 total cpu time spent up to now is 115.1 secs Computing kpt #: 260 total cpu time spent up to now is 115.6 secs Computing kpt #: 261 total cpu time spent up to now is 116.1 secs Computing kpt #: 262 total cpu time spent up to now is 116.6 secs Computing kpt #: 263 total cpu time spent up to now is 117.1 secs Computing kpt #: 264 total cpu time spent up to now is 117.5 secs Computing kpt #: 265 total cpu time spent up to now is 118.0 secs Computing kpt #: 266 total cpu time spent up to now is 118.5 secs Computing kpt #: 267 total cpu time spent up to now is 119.0 secs Computing kpt #: 268 total cpu time spent up to now is 119.6 secs Computing kpt #: 269 total cpu time spent up to now is 120.1 secs Computing kpt #: 270 total cpu time spent up to now is 120.7 secs Computing kpt #: 271 total cpu time spent up to now is 121.1 secs Computing kpt #: 272 total cpu time spent up to now is 121.5 secs Computing kpt #: 273 total cpu time spent up to now is 122.0 secs Computing kpt #: 274 total cpu time spent up to now is 122.3 secs Computing kpt #: 275 total cpu time spent up to now is 122.8 secs Computing kpt #: 276 total cpu time spent up to now is 123.3 secs Computing kpt #: 277 total cpu time spent up to now is 123.7 secs Computing kpt #: 278 total cpu time spent up to now is 124.2 secs Computing kpt #: 279 total cpu time spent up to now is 124.7 secs Computing kpt #: 280 total cpu time spent up to now is 125.2 secs Computing kpt #: 281 total cpu time spent up to now is 125.9 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.8 secs Computing kpt #: 283 total cpu time spent up to now is 127.4 secs Computing kpt #: 284 total cpu time spent up to now is 127.8 secs Computing kpt #: 285 total cpu time spent up to now is 128.1 secs Computing kpt #: 286 total cpu time spent up to now is 128.5 secs Computing kpt #: 287 total cpu time spent up to now is 128.8 secs Computing kpt #: 288 total cpu time spent up to now is 129.2 secs Computing kpt #: 289 total cpu time spent up to now is 129.5 secs Computing kpt #: 290 total cpu time spent up to now is 129.9 secs Computing kpt #: 291 total cpu time spent up to now is 130.2 secs Computing kpt #: 292 total cpu time spent up to now is 130.5 secs Computing kpt #: 293 total cpu time spent up to now is 130.9 secs Computing kpt #: 294 total cpu time spent up to now is 131.2 secs Computing kpt #: 295 total cpu time spent up to now is 131.5 secs Computing kpt #: 296 total cpu time spent up to now is 131.8 secs Computing kpt #: 297 total cpu time spent up to now is 132.2 secs Computing kpt #: 298 total cpu time spent up to now is 132.5 secs Computing kpt #: 299 total cpu time spent up to now is 132.8 secs Computing kpt #: 300 total cpu time spent up to now is 133.2 secs Computing kpt #: 301 total cpu time spent up to now is 133.6 secs Computing kpt #: 302 total cpu time spent up to now is 134.0 secs Computing kpt #: 303 total cpu time spent up to now is 134.4 secs Computing kpt #: 304 total cpu time spent up to now is 134.8 secs Computing kpt #: 305 total cpu time spent up to now is 135.1 secs Computing kpt #: 306 total cpu time spent up to now is 135.5 secs Computing kpt #: 307 total cpu time spent up to now is 135.8 secs Computing kpt #: 308 total cpu time spent up to now is 136.2 secs Computing kpt #: 309 total cpu time spent up to now is 136.5 secs Computing kpt #: 310 total cpu time spent up to now is 136.9 secs Computing kpt #: 311 total cpu time spent up to now is 137.2 secs Computing kpt #: 312 total cpu time spent up to now is 137.6 secs Computing kpt #: 313 total cpu time spent up to now is 138.0 secs Computing kpt #: 314 total cpu time spent up to now is 138.4 secs Computing kpt #: 315 total cpu time spent up to now is 138.8 secs Computing kpt #: 316 total cpu time spent up to now is 139.2 secs Computing kpt #: 317 total cpu time spent up to now is 139.7 secs Computing kpt #: 318 total cpu time spent up to now is 140.1 secs Computing kpt #: 319 total cpu time spent up to now is 140.6 secs Computing kpt #: 320 total cpu time spent up to now is 141.1 secs Computing kpt #: 321 total cpu time spent up to now is 141.5 secs Computing kpt #: 322 total cpu time spent up to now is 141.8 secs Computing kpt #: 323 total cpu time spent up to now is 142.2 secs Computing kpt #: 324 total cpu time spent up to now is 142.6 secs Computing kpt #: 325 total cpu time spent up to now is 143.0 secs Computing kpt #: 326 total cpu time spent up to now is 143.3 secs Computing kpt #: 327 total cpu time spent up to now is 143.7 secs Computing kpt #: 328 total cpu time spent up to now is 144.0 secs Computing kpt #: 329 total cpu time spent up to now is 144.4 secs Computing kpt #: 330 total cpu time spent up to now is 144.8 secs Computing kpt #: 331 total cpu time spent up to now is 145.2 secs Computing kpt #: 332 total cpu time spent up to now is 145.5 secs Computing kpt #: 333 total cpu time spent up to now is 145.9 secs Computing kpt #: 334 total cpu time spent up to now is 146.3 secs Computing kpt #: 335 total cpu time spent up to now is 146.7 secs Computing kpt #: 336 total cpu time spent up to now is 147.0 secs Computing kpt #: 337 total cpu time spent up to now is 147.4 secs Computing kpt #: 338 total cpu time spent up to now is 147.8 secs Computing kpt #: 339 total cpu time spent up to now is 148.1 secs Computing kpt #: 340 total cpu time spent up to now is 148.5 secs Computing kpt #: 341 total cpu time spent up to now is 148.9 secs Computing kpt #: 342 total cpu time spent up to now is 149.2 secs Computing kpt #: 343 total cpu time spent up to now is 149.6 secs Computing kpt #: 344 total cpu time spent up to now is 149.9 secs Computing kpt #: 345 total cpu time spent up to now is 150.3 secs Computing kpt #: 346 total cpu time spent up to now is 150.6 secs Computing kpt #: 347 total cpu time spent up to now is 151.0 secs Computing kpt #: 348 total cpu time spent up to now is 151.3 secs Computing kpt #: 349 total cpu time spent up to now is 151.6 secs Computing kpt #: 350 total cpu time spent up to now is 151.9 secs Computing kpt #: 351 total cpu time spent up to now is 152.2 secs Computing kpt #: 352 total cpu time spent up to now is 152.6 secs Computing kpt #: 353 total cpu time spent up to now is 152.9 secs Computing kpt #: 354 total cpu time spent up to now is 153.2 secs Computing kpt #: 355 total cpu time spent up to now is 153.5 secs Computing kpt #: 356 total cpu time spent up to now is 153.8 secs Computing kpt #: 357 total cpu time spent up to now is 154.1 secs Computing kpt #: 358 total cpu time spent up to now is 154.4 secs Computing kpt #: 359 total cpu time spent up to now is 154.7 secs Computing kpt #: 360 total cpu time spent up to now is 155.0 secs Computing kpt #: 361 total cpu time spent up to now is 155.3 secs Computing kpt #: 362 total cpu time spent up to now is 155.6 secs Computing kpt #: 363 total cpu time spent up to now is 155.8 secs Computing kpt #: 364 total cpu time spent up to now is 156.4 secs Computing kpt #: 365 total cpu time spent up to now is 156.7 secs Computing kpt #: 366 total cpu time spent up to now is 157.0 secs Computing kpt #: 367 total cpu time spent up to now is 157.2 secs Computing kpt #: 368 total cpu time spent up to now is 157.6 secs Computing kpt #: 369 total cpu time spent up to now is 157.9 secs Computing kpt #: 370 total cpu time spent up to now is 158.2 secs Computing kpt #: 371 total cpu time spent up to now is 158.5 secs Computing kpt #: 372 total cpu time spent up to now is 158.8 secs Computing kpt #: 373 total cpu time spent up to now is 159.1 secs Computing kpt #: 374 total cpu time spent up to now is 159.5 secs Computing kpt #: 375 total cpu time spent up to now is 159.8 secs Computing kpt #: 376 total cpu time spent up to now is 160.2 secs Computing kpt #: 377 total cpu time spent up to now is 160.6 secs Computing kpt #: 378 total cpu time spent up to now is 161.0 secs Computing kpt #: 379 total cpu time spent up to now is 161.4 secs Computing kpt #: 380 total cpu time spent up to now is 161.9 secs Computing kpt #: 381 total cpu time spent up to now is 162.3 secs Computing kpt #: 382 total cpu time spent up to now is 162.8 secs Computing kpt #: 383 total cpu time spent up to now is 163.2 secs Computing kpt #: 384 total cpu time spent up to now is 163.7 secs Computing kpt #: 385 total cpu time spent up to now is 164.1 secs Computing kpt #: 386 total cpu time spent up to now is 164.6 secs Computing kpt #: 387 total cpu time spent up to now is 165.0 secs Computing kpt #: 388 total cpu time spent up to now is 165.4 secs Computing kpt #: 389 total cpu time spent up to now is 165.8 secs Computing kpt #: 390 total cpu time spent up to now is 166.2 secs Computing kpt #: 391 total cpu time spent up to now is 166.6 secs Computing kpt #: 392 total cpu time spent up to now is 166.9 secs Computing kpt #: 393 total cpu time spent up to now is 167.3 secs Computing kpt #: 394 total cpu time spent up to now is 167.7 secs Computing kpt #: 395 total cpu time spent up to now is 168.1 secs Computing kpt #: 396 total cpu time spent up to now is 168.4 secs Computing kpt #: 397 total cpu time spent up to now is 168.8 secs Computing kpt #: 398 total cpu time spent up to now is 169.2 secs Computing kpt #: 399 total cpu time spent up to now is 169.5 secs Computing kpt #: 400 total cpu time spent up to now is 169.9 secs Computing kpt #: 401 total cpu time spent up to now is 170.3 secs Computing kpt #: 402 total cpu time spent up to now is 170.7 secs Computing kpt #: 403 total cpu time spent up to now is 171.1 secs Computing kpt #: 404 total cpu time spent up to now is 171.5 secs Computing kpt #: 405 total cpu time spent up to now is 172.0 secs Computing kpt #: 406 total cpu time spent up to now is 172.4 secs Computing kpt #: 407 total cpu time spent up to now is 172.8 secs Computing kpt #: 408 total cpu time spent up to now is 173.2 secs Computing kpt #: 409 total cpu time spent up to now is 173.6 secs Computing kpt #: 410 total cpu time spent up to now is 174.1 secs Computing kpt #: 411 total cpu time spent up to now is 174.5 secs Computing kpt #: 412 total cpu time spent up to now is 174.9 secs Computing kpt #: 413 total cpu time spent up to now is 175.3 secs Computing kpt #: 414 total cpu time spent up to now is 175.7 secs Computing kpt #: 415 total cpu time spent up to now is 176.1 secs Computing kpt #: 416 total cpu time spent up to now is 176.5 secs Computing kpt #: 417 total cpu time spent up to now is 176.9 secs Computing kpt #: 418 total cpu time spent up to now is 177.2 secs Computing kpt #: 419 total cpu time spent up to now is 177.6 secs Computing kpt #: 420 total cpu time spent up to now is 178.0 secs Computing kpt #: 421 total cpu time spent up to now is 178.4 secs Computing kpt #: 422 total cpu time spent up to now is 178.8 secs Computing kpt #: 423 total cpu time spent up to now is 179.2 secs Computing kpt #: 424 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.1 secs Computing kpt #: 425 total cpu time spent up to now is 180.5 secs Computing kpt #: 426 total cpu time spent up to now is 180.9 secs Computing kpt #: 427 total cpu time spent up to now is 181.6 secs Computing kpt #: 428 total cpu time spent up to now is 182.3 secs Computing kpt #: 429 total cpu time spent up to now is 182.9 secs Computing kpt #: 430 total cpu time spent up to now is 183.5 secs Computing kpt #: 431 total cpu time spent up to now is 184.1 secs Computing kpt #: 432 total cpu time spent up to now is 184.8 secs Computing kpt #: 433 total cpu time spent up to now is 185.4 secs Computing kpt #: 434 total cpu time spent up to now is 185.9 secs Computing kpt #: 435 total cpu time spent up to now is 186.4 secs Computing kpt #: 436 total cpu time spent up to now is 186.9 secs Computing kpt #: 437 total cpu time spent up to now is 187.4 secs Computing kpt #: 438 total cpu time spent up to now is 187.9 secs Computing kpt #: 439 total cpu time spent up to now is 188.4 secs Computing kpt #: 440 total cpu time spent up to now is 188.9 secs Computing kpt #: 441 total cpu time spent up to now is 189.3 secs Computing kpt #: 442 total cpu time spent up to now is 189.8 secs Computing kpt #: 443 total cpu time spent up to now is 190.2 secs Computing kpt #: 444 total cpu time spent up to now is 190.7 secs Computing kpt #: 445 total cpu time spent up to now is 191.1 secs Computing kpt #: 446 total cpu time spent up to now is 191.6 secs Computing kpt #: 447 total cpu time spent up to now is 192.0 secs Computing kpt #: 448 total cpu time spent up to now is 192.5 secs Computing kpt #: 449 total cpu time spent up to now is 192.9 secs Computing kpt #: 450 total cpu time spent up to now is 193.4 secs Computing kpt #: 451 total cpu time spent up to now is 193.8 secs Computing kpt #: 452 total cpu time spent up to now is 194.2 secs Computing kpt #: 453 total cpu time spent up to now is 194.7 secs Computing kpt #: 454 total cpu time spent up to now is 195.1 secs Computing kpt #: 455 total cpu time spent up to now is 195.6 secs Computing kpt #: 456 total cpu time spent up to now is 196.0 secs Computing kpt #: 457 total cpu time spent up to now is 196.5 secs Computing kpt #: 458 total cpu time spent up to now is 196.9 secs Computing kpt #: 459 total cpu time spent up to now is 197.4 secs Computing kpt #: 460 total cpu time spent up to now is 197.8 secs ethr = 3.57E-08, avg # of iterations = 39.4 total cpu time spent up to now is 197.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -28.1569 -28.1569 -28.0139 -28.0139 -9.7155 -9.7155 -9.3636 -9.3636 -9.3477 -9.3477 -9.1939 -9.1939 -9.0005 -9.0005 -8.8873 -8.8873 0.3514 0.3514 5.9268 5.9268 9.0826 9.0826 9.8163 9.8163 9.8749 9.8749 10.7490 10.7490 12.8329 12.8329 13.9806 13.9806 14.9871 14.9871 15.6449 15.6449 k = 0.0060 0.0154-0.0000 ( 2323 PWs) bands (ev): -28.1568 -28.1568 -28.0140 -28.0140 -9.7154 -9.7154 -9.3657 -9.3657 -9.3460 -9.3460 -9.1939 -9.1939 -9.0006 -9.0006 -8.8873 -8.8873 0.3527 0.3527 5.9282 5.9282 9.0739 9.0739 9.8214 9.8214 9.8745 9.8745 10.7498 10.7498 12.8382 12.8382 13.9728 13.9728 14.9773 14.9773 15.5407 15.5407 k = 0.0120 0.0307-0.0000 ( 2315 PWs) bands (ev): -28.1567 -28.1567 -28.0140 -28.0140 -9.7154 -9.7154 -9.3705 -9.3705 -9.3423 -9.3423 -9.1939 -9.1939 -9.0010 -9.0010 -8.8873 -8.8873 0.3565 0.3565 5.9323 5.9323 9.0487 9.0487 9.8360 9.8360 9.8733 9.8733 10.7519 10.7519 12.8541 12.8541 13.9499 13.9499 14.9497 14.9497 15.4269 15.4269 k = 0.0180 0.0461-0.0000 ( 2317 PWs) bands (ev): -28.1564 -28.1564 -28.0142 -28.0142 -9.7153 -9.7153 -9.3765 -9.3765 -9.3382 -9.3382 -9.1940 -9.1940 -9.0016 -9.0016 -8.8874 -8.8874 0.3629 0.3629 5.9392 5.9392 9.0090 9.0090 9.8581 9.8581 9.8712 9.8712 10.7553 10.7553 12.8802 12.8802 13.9130 13.9130 14.9081 14.9081 15.3146 15.3146 k = 0.0240 0.0614-0.0000 ( 2317 PWs) bands (ev): -28.1560 -28.1560 -28.0143 -28.0143 -9.7152 -9.7152 -9.3832 -9.3832 -9.3340 -9.3340 -9.1940 -9.1940 -9.0024 -9.0024 -8.8876 -8.8876 0.3718 0.3718 5.9489 5.9489 8.9575 8.9575 9.8683 9.8683 9.8854 9.8854 10.7599 10.7599 12.9164 12.9164 13.8635 13.8635 14.8570 14.8570 15.2044 15.2044 k = 0.0300 0.0768-0.0000 ( 2313 PWs) bands (ev): -28.1555 -28.1555 -28.0145 -28.0145 -9.7150 -9.7150 -9.3904 -9.3904 -9.3301 -9.3301 -9.1941 -9.1941 -9.0035 -9.0035 -8.8877 -8.8877 0.3831 0.3831 5.9612 5.9612 8.8966 8.8966 9.8646 9.8646 9.9159 9.9159 10.7656 10.7656 12.9623 12.9623 13.8035 13.8035 14.8003 14.8003 15.0962 15.0962 k = 0.0360 0.0921-0.0000 ( 2317 PWs) bands (ev): -28.1549 -28.1549 -28.0148 -28.0148 -9.7149 -9.7149 -9.3981 -9.3981 -9.3265 -9.3265 -9.1941 -9.1941 -9.0048 -9.0048 -8.8879 -8.8879 0.3969 0.3969 5.9763 5.9763 8.8283 8.8283 9.8601 9.8601 9.9480 9.9480 10.7722 10.7722 13.0173 13.0173 13.7349 13.7349 14.7408 14.7408 14.9901 14.9901 k = 0.0420 0.1075-0.0000 ( 2311 PWs) bands (ev): -28.1542 -28.1542 -28.0151 -28.0151 -9.7147 -9.7147 -9.4061 -9.4061 -9.3232 -9.3232 -9.1942 -9.1942 -9.0062 -9.0062 -8.8881 -8.8881 0.4131 0.4131 5.9940 5.9940 8.7545 8.7545 9.8547 9.8547 9.9805 9.9805 10.7793 10.7793 13.0810 13.0810 13.6597 13.6597 14.6806 14.6806 14.8863 14.8863 k = 0.0480 0.1228-0.0000 ( 2313 PWs) bands (ev): -28.1534 -28.1534 -28.0155 -28.0155 -9.7146 -9.7146 -9.4146 -9.4146 -9.3202 -9.3202 -9.1942 -9.1942 -9.0078 -9.0078 -8.8884 -8.8884 0.4316 0.4316 6.0143 6.0143 8.6763 8.6763 9.8484 9.8484 10.0126 10.0126 10.7866 10.7866 13.1527 13.1527 13.5797 13.5797 14.6210 14.6210 14.7849 14.7849 k = 0.0540 0.1382-0.0000 ( 2321 PWs) bands (ev): -28.1525 -28.1525 -28.0159 -28.0159 -9.7145 -9.7145 -9.4234 -9.4234 -9.3175 -9.3175 -9.1943 -9.1943 -9.0096 -9.0096 -8.8887 -8.8887 0.4523 0.4523 6.0371 6.0371 8.5950 8.5950 9.8413 9.8413 10.0439 10.0439 10.7937 10.7937 13.2318 13.2318 13.4967 13.4967 14.5631 14.5631 14.6859 14.6859 k = 0.0600 0.1535-0.0000 ( 2321 PWs) bands (ev): -28.1515 -28.1515 -28.0163 -28.0163 -9.7145 -9.7145 -9.4324 -9.4324 -9.3151 -9.3151 -9.1943 -9.1943 -9.0115 -9.0115 -8.8890 -8.8890 0.4751 0.4751 6.0625 6.0625 8.5113 8.5113 9.8333 9.8333 10.0741 10.0741 10.8002 10.8002 13.3177 13.3177 13.4123 13.4123 14.5077 14.5077 14.5895 14.5895 k = 0.0661 0.1689-0.0000 ( 2329 PWs) bands (ev): -28.1504 -28.1504 -28.0169 -28.0169 -9.7145 -9.7145 -9.4418 -9.4418 -9.3130 -9.3130 -9.1942 -9.1942 -9.0136 -9.0136 -8.8894 -8.8894 0.4999 0.4999 6.0902 6.0902 8.4260 8.4260 9.8245 9.8245 10.1030 10.1030 10.8055 10.8055 13.3277 13.3277 13.4101 13.4101 14.4551 14.4551 14.4956 14.4956 k = 0.0721 0.1843-0.0000 ( 2329 PWs) bands (ev): -28.1492 -28.1492 -28.0174 -28.0174 -9.7145 -9.7145 -9.4514 -9.4514 -9.3112 -9.3112 -9.1939 -9.1939 -9.0157 -9.0157 -8.8898 -8.8898 0.5267 0.5267 6.1203 6.1203 8.3398 8.3398 9.8148 9.8148 10.1306 10.1306 10.8089 10.8089 13.2449 13.2449 13.5078 13.5078 14.4038 14.4038 14.4066 14.4066 k = 0.0781 0.1996-0.0000 ( 2329 PWs) bands (ev): -28.1480 -28.1480 -28.0180 -28.0180 -9.7146 -9.7146 -9.4612 -9.4612 -9.3096 -9.3096 -9.1936 -9.1936 -9.0179 -9.0179 -8.8903 -8.8903 0.5552 0.5552 6.1527 6.1527 8.2531 8.2531 9.8042 9.8042 10.1570 10.1570 10.8098 10.8098 13.1649 13.1649 13.6107 13.6107 14.3158 14.3158 14.3606 14.3606 k = 0.0841 0.2150-0.0000 ( 2329 PWs) bands (ev): -28.1466 -28.1466 -28.0187 -28.0187 -9.7148 -9.7148 -9.4713 -9.4713 -9.3084 -9.3084 -9.1931 -9.1931 -9.0201 -9.0201 -8.8908 -8.8908 0.5854 0.5854 6.1872 6.1872 8.1664 8.1664 9.7929 9.7929 10.1822 10.1822 10.8075 10.8075 13.0889 13.0889 13.7180 13.7180 14.2301 14.2301 14.3191 14.3191 k = 0.0901 0.2303-0.0000 ( 2331 PWs) bands (ev): -28.1452 -28.1452 -28.0194 -28.0194 -9.7151 -9.7151 -9.4815 -9.4815 -9.3073 -9.3073 -9.1924 -9.1924 -9.0224 -9.0224 -8.8914 -8.8914 0.6172 0.6172 6.2238 6.2238 8.0803 8.0803 9.7807 9.7807 10.2063 10.2063 10.8011 10.8011 13.0181 13.0181 13.8293 13.8294 14.1473 14.1473 14.2816 14.2816 k = 0.0961 0.2457-0.0000 ( 2335 PWs) bands (ev): -28.1436 -28.1436 -28.0202 -28.0202 -9.7156 -9.7156 -9.4919 -9.4919 -9.3065 -9.3065 -9.1916 -9.1916 -9.0247 -9.0247 -8.8920 -8.8920 0.6504 0.6504 6.2624 6.2624 7.9950 7.9950 9.7677 9.7677 10.2292 10.2292 10.7900 10.7900 12.9538 12.9538 13.9441 13.9441 14.0674 14.0674 14.2484 14.2484 k = 0.1021 0.2610-0.0000 ( 2331 PWs) bands (ev): -28.1420 -28.1420 -28.0210 -28.0210 -9.7161 -9.7161 -9.5024 -9.5024 -9.3059 -9.3059 -9.1906 -9.1906 -9.0270 -9.0270 -8.8927 -8.8927 0.6848 0.6848 6.3027 6.3027 7.9109 7.9109 9.7540 9.7540 10.2512 10.2512 10.7734 10.7734 12.8967 12.8967 13.9896 13.9896 14.0626 14.0626 14.2196 14.2196 k = 0.1081 0.2764-0.0000 ( 2335 PWs) bands (ev): -28.1404 -28.1404 -28.0219 -28.0219 -9.7169 -9.7169 -9.5130 -9.5130 -9.3054 -9.3054 -9.1893 -9.1893 -9.0293 -9.0293 -8.8935 -8.8935 0.7202 0.7202 6.3448 6.3448 7.8284 7.8284 9.7396 9.7396 10.2722 10.2722 10.7507 10.7507 12.8478 12.8478 13.9158 13.9158 14.1828 14.1828 14.1952 14.1952 k = 0.1141 0.2917-0.0000 ( 2339 PWs) bands (ev): -28.1386 -28.1386 -28.0228 -28.0228 -9.7177 -9.7177 -9.5236 -9.5236 -9.3051 -9.3051 -9.1879 -9.1879 -9.0316 -9.0316 -8.8944 -8.8944 0.7566 0.7566 6.3883 6.3883 7.7478 7.7478 9.7246 9.7246 10.2924 10.2924 10.7216 10.7216 12.8076 12.8076 13.8447 13.8447 14.1750 14.1750 14.3056 14.3056 k = 0.1201 0.3071-0.0000 ( 2339 PWs) bands (ev): -28.1368 -28.1368 -28.0238 -28.0238 -9.7188 -9.7188 -9.5342 -9.5342 -9.3047 -9.3047 -9.1862 -9.1862 -9.0339 -9.0339 -8.8953 -8.8953 0.7937 0.7937 6.4331 6.4331 7.6694 7.6694 9.7090 9.7090 10.3118 10.3118 10.6860 10.6860 12.7764 12.7764 13.7766 13.7766 14.1595 14.1595 14.4300 14.4300 k = 0.1261 0.3225-0.0000 ( 2340 PWs) bands (ev): -28.1350 -28.1350 -28.0248 -28.0248 -9.7200 -9.7200 -9.5447 -9.5447 -9.3044 -9.3044 -9.1844 -9.1844 -9.0361 -9.0361 -8.8964 -8.8964 0.8313 0.8313 6.4790 6.4790 7.5934 7.5934 9.6928 9.6928 10.3303 10.3303 10.6439 10.6439 12.7542 12.7542 13.7116 13.7116 14.1484 14.1484 14.5555 14.5555 k = 0.1321 0.3378-0.0000 ( 2334 PWs) bands (ev): -28.1330 -28.1330 -28.0259 -28.0259 -9.7214 -9.7214 -9.5551 -9.5551 -9.3040 -9.3040 -9.1824 -9.1824 -9.0383 -9.0383 -8.8975 -8.8975 0.8693 0.8693 6.5258 6.5258 7.5201 7.5201 9.6762 9.6762 10.3482 10.3482 10.5958 10.5958 12.7408 12.7408 13.6498 13.6498 14.1417 14.1418 14.6813 14.6813 k = 0.1381 0.3532-0.0000 ( 2326 PWs) bands (ev): -28.1311 -28.1311 -28.0270 -28.0270 -9.7230 -9.7230 -9.5654 -9.5654 -9.3035 -9.3035 -9.1803 -9.1803 -9.0404 -9.0404 -8.8987 -8.8987 0.9074 0.9074 6.5733 6.5733 7.4498 7.4498 9.6592 9.6592 10.3652 10.3652 10.5422 10.5422 12.7357 12.7357 13.5911 13.5911 14.1396 14.1396 14.8049 14.8049 k = 0.1441 0.3685-0.0000 ( 2332 PWs) bands (ev): -28.1290 -28.1290 -28.0283 -28.0283 -9.7249 -9.7249 -9.5754 -9.5754 -9.3029 -9.3029 -9.1781 -9.1781 -9.0424 -9.0424 -8.9001 -8.9001 0.9455 0.9455 6.6210 6.6210 7.3828 7.3828 9.6420 9.6420 10.3816 10.3816 10.4841 10.4841 12.7382 12.7382 13.5356 13.5356 14.1417 14.1417 14.9072 14.9072 k = 0.1501 0.3839-0.0000 ( 2332 PWs) bands (ev): -28.1270 -28.1270 -28.0295 -28.0295 -9.7269 -9.7269 -9.5852 -9.5852 -9.3022 -9.3022 -9.1758 -9.1758 -9.0444 -9.0444 -8.9016 -8.9016 0.9834 0.9834 6.6688 6.6688 7.3192 7.3192 9.6245 9.6245 10.3970 10.3970 10.4226 10.4226 12.7476 12.7476 13.4833 13.4833 14.1482 14.1482 14.8766 14.8766 k = 0.1561 0.3992-0.0000 ( 2332 PWs) bands (ev): -28.1249 -28.1249 -28.0308 -28.0308 -9.7291 -9.7291 -9.5946 -9.5946 -9.3013 -9.3013 -9.1735 -9.1735 -9.0463 -9.0463 -8.9033 -8.9033 1.0208 1.0208 6.7161 6.7161 7.2594 7.2594 9.6070 9.6070 10.3575 10.3575 10.4126 10.4126 12.7629 12.7629 13.4342 13.4342 14.1588 14.1588 14.7826 14.7826 k = 0.1621 0.4146-0.0000 ( 2334 PWs) bands (ev): -28.1228 -28.1228 -28.0322 -28.0322 -9.7316 -9.7316 -9.6036 -9.6036 -9.3002 -9.3002 -9.1712 -9.1712 -9.0481 -9.0481 -8.9050 -8.9050 1.0575 1.0575 6.7627 6.7627 7.2034 7.2034 9.5894 9.5894 10.2917 10.2917 10.4268 10.4268 12.7834 12.7834 13.3884 13.3884 14.1736 14.1736 14.6828 14.6828 k = 0.1681 0.4299-0.0000 ( 2330 PWs) bands (ev): -28.1206 -28.1206 -28.0336 -28.0336 -9.7343 -9.7343 -9.6120 -9.6120 -9.2989 -9.2989 -9.1689 -9.1689 -9.0497 -9.0497 -8.9069 -8.9069 1.0934 1.0934 6.8080 6.8080 7.1516 7.1516 9.5719 9.5719 10.2255 10.2255 10.4403 10.4403 12.8082 12.8082 13.3458 13.3458 14.1925 14.1925 14.5824 14.5824 k = 0.1741 0.4453-0.0000 ( 2328 PWs) bands (ev): -28.1185 -28.1185 -28.0351 -28.0351 -9.7372 -9.7372 -9.6199 -9.6199 -9.2974 -9.2974 -9.1666 -9.1666 -9.0512 -9.0512 -8.9089 -8.9089 1.1282 1.1282 6.8515 6.8515 7.1042 7.1042 9.5547 9.5547 10.1599 10.1599 10.4531 10.4531 12.8364 12.8364 13.3066 13.3066 14.2153 14.2153 14.4826 14.4826 k = 0.1801 0.4606-0.0000 ( 2336 PWs) bands (ev): -28.1163 -28.1163 -28.0366 -28.0366 -9.7404 -9.7404 -9.6271 -9.6271 -9.2957 -9.2957 -9.1646 -9.1646 -9.0526 -9.0526 -8.9111 -8.9111 1.1617 1.1617 6.8926 6.8926 7.0613 7.0613 9.5376 9.5376 10.0963 10.0963 10.4652 10.4652 12.8675 12.8675 13.2706 13.2706 14.2418 14.2418 14.3837 14.3837 k = 0.1862 0.4760-0.0000 ( 2324 PWs) bands (ev): -28.1141 -28.1141 -28.0382 -28.0382 -9.7438 -9.7438 -9.6335 -9.6335 -9.2937 -9.2937 -9.1626 -9.1626 -9.0537 -9.0537 -8.9133 -8.9133 1.1937 1.1937 6.9307 6.9307 7.0232 7.0232 9.5210 9.5210 10.0356 10.0356 10.4764 10.4764 12.9008 12.9008 13.2381 13.2381 14.2708 14.2708 14.2876 14.2876 k = 0.1922 0.4914-0.0000 ( 2328 PWs) bands (ev): -28.1119 -28.1119 -28.0398 -28.0398 -9.7475 -9.7475 -9.6392 -9.6392 -9.2916 -9.2916 -9.1608 -9.1608 -9.0547 -9.0547 -8.9158 -8.9158 1.2241 1.2241 6.9651 6.9651 6.9899 6.9899 9.5049 9.5049 9.9791 9.9791 10.4869 10.4869 12.9356 12.9356 13.2088 13.2088 14.1897 14.1897 14.3064 14.3064 k = 0.1982 0.5067-0.0000 ( 2330 PWs) bands (ev): -28.1097 -28.1097 -28.0415 -28.0415 -9.7514 -9.7514 -9.6442 -9.6442 -9.2893 -9.2893 -9.1593 -9.1593 -9.0554 -9.0554 -8.9183 -8.9183 1.2527 1.2527 6.9617 6.9617 6.9951 6.9951 9.4892 9.4892 9.9277 9.9277 10.4964 10.4964 12.9716 12.9716 13.1829 13.1829 14.0954 14.0954 14.3436 14.3436 k = 0.2042 0.5221-0.0000 ( 2340 PWs) bands (ev): -28.1075 -28.1075 -28.0433 -28.0433 -9.7554 -9.7554 -9.6483 -9.6483 -9.2869 -9.2869 -9.1580 -9.1580 -9.0559 -9.0559 -8.9210 -8.9210 1.2793 1.2793 6.9387 6.9387 7.0199 7.0199 9.4743 9.4743 9.8825 9.8825 10.5051 10.5051 13.0084 13.0084 13.1604 13.1604 14.0029 14.0029 14.3842 14.3842 k = 0.2102 0.5374-0.0000 ( 2336 PWs) bands (ev): -28.1053 -28.1053 -28.0450 -28.0450 -9.7595 -9.7595 -9.6515 -9.6515 -9.2842 -9.2842 -9.1570 -9.1570 -9.0561 -9.0561 -8.9238 -8.9238 1.3037 1.3037 6.9210 6.9210 7.0389 7.0389 9.4600 9.4600 9.8446 9.8446 10.5129 10.5129 13.0455 13.0455 13.1413 13.1413 13.9125 13.9125 14.4279 14.4279 k = 0.2162 0.5528-0.0000 ( 2332 PWs) bands (ev): -28.1031 -28.1031 -28.0468 -28.0468 -9.7636 -9.7636 -9.6539 -9.6539 -9.2814 -9.2814 -9.1563 -9.1563 -9.0560 -9.0560 -8.9267 -8.9267 1.3259 1.3259 6.9087 6.9087 7.0514 7.0514 9.4466 9.4466 9.8148 9.8148 10.5196 10.5196 13.0826 13.0826 13.1258 13.1258 13.8242 13.8242 14.4746 14.4746 k = 0.2222 0.5681-0.0000 ( 2332 PWs) bands (ev): -28.1009 -28.1009 -28.0487 -28.0487 -9.7677 -9.7677 -9.6555 -9.6555 -9.2784 -9.2784 -9.1560 -9.1560 -9.0557 -9.0557 -8.9297 -8.9297 1.3457 1.3457 6.9020 6.9020 7.0568 7.0568 9.4340 9.4340 9.7938 9.7938 10.5254 10.5254 13.1105 13.1105 13.1228 13.1228 13.7383 13.7383 14.5241 14.5241 k = 0.2282 0.5835-0.0000 ( 2320 PWs) bands (ev): -28.0987 -28.0987 -28.0506 -28.0506 -9.7715 -9.7715 -9.6563 -9.6563 -9.2753 -9.2753 -9.1559 -9.1559 -9.0551 -9.0551 -8.9328 -8.9328 1.3630 1.3630 6.9007 6.9007 7.0547 7.0547 9.4224 9.4224 9.7823 9.7823 10.5300 10.5300 13.1034 13.1034 13.1580 13.1580 13.6547 13.6547 14.5762 14.5762 k = 0.2342 0.5988-0.0000 ( 2318 PWs) bands (ev): -28.0966 -28.0966 -28.0525 -28.0525 -9.7753 -9.7753 -9.6565 -9.6565 -9.2722 -9.2722 -9.1562 -9.1562 -9.0542 -9.0542 -8.9359 -8.9359 1.3778 1.3778 6.9051 6.9051 7.0449 7.0449 9.4117 9.4117 9.7805 9.7805 10.5335 10.5335 13.0979 13.0979 13.1946 13.1946 13.5737 13.5737 14.6306 14.6306 k = 0.2402 0.6142-0.0000 ( 2322 PWs) bands (ev): -28.0945 -28.0945 -28.0545 -28.0545 -9.7788 -9.7788 -9.6561 -9.6561 -9.2690 -9.2690 -9.1568 -9.1568 -9.0531 -9.0531 -8.9392 -8.9392 1.3901 1.3901 6.9150 6.9150 7.0274 7.0274 9.4021 9.4021 9.7887 9.7887 10.5359 10.5359 13.0957 13.0957 13.2308 13.2308 13.4953 13.4953 14.6873 14.6873 k = 0.2462 0.6296-0.0000 ( 2318 PWs) bands (ev): -28.0924 -28.0924 -28.0565 -28.0565 -9.7819 -9.7819 -9.6550 -9.6550 -9.2658 -9.2658 -9.1576 -9.1576 -9.0518 -9.0518 -8.9425 -8.9425 1.3997 1.3997 6.9305 6.9305 7.0023 7.0023 9.3936 9.3936 9.8067 9.8067 10.5370 10.5370 13.0968 13.0968 13.2665 13.2665 13.4196 13.4196 14.7459 14.7459 k = 0.2522 0.6449-0.0000 ( 2322 PWs) bands (ev): -28.0904 -28.0904 -28.0586 -28.0586 -9.7847 -9.7847 -9.6533 -9.6533 -9.2626 -9.2626 -9.1588 -9.1588 -9.0504 -9.0504 -8.9458 -8.9458 1.4068 1.4068 6.9510 6.9510 6.9704 6.9704 9.3862 9.3862 9.8343 9.8343 10.5368 10.5368 13.1012 13.1012 13.3013 13.3013 13.3469 13.3469 14.8061 14.8061 k = 0.2582 0.6603-0.0000 ( 2322 PWs) bands (ev): -28.0884 -28.0884 -28.0606 -28.0606 -9.7870 -9.7870 -9.6510 -9.6510 -9.2593 -9.2593 -9.1601 -9.1601 -9.0488 -9.0488 -8.9492 -8.9492 1.4113 1.4113 6.9303 6.9303 6.9785 6.9785 9.3799 9.3799 9.8711 9.8711 10.5354 10.5354 13.1090 13.1090 13.2759 13.2759 13.3365 13.3365 14.8676 14.8676 k = 0.2642 0.6756-0.0000 ( 2318 PWs) bands (ev): -28.0864 -28.0864 -28.0627 -28.0627 -9.7888 -9.7888 -9.6483 -9.6483 -9.2561 -9.2561 -9.1616 -9.1616 -9.0471 -9.0471 -8.9526 -8.9526 1.4133 1.4133 6.8851 6.8851 7.0102 7.0102 9.3748 9.3748 9.9164 9.9164 10.5326 10.5326 13.1202 13.1202 13.2086 13.2086 13.3699 13.3699 14.9301 14.9301 k = 0.2702 0.6910-0.0000 ( 2318 PWs) bands (ev): -28.0844 -28.0844 -28.0648 -28.0648 -9.7902 -9.7902 -9.6450 -9.6450 -9.2529 -9.2529 -9.1634 -9.1634 -9.0453 -9.0453 -8.9560 -8.9560 1.4129 1.4129 6.8343 6.8343 7.0472 7.0472 9.3709 9.3709 9.9696 9.9696 10.5284 10.5284 13.1346 13.1346 13.1441 13.1441 13.4024 13.4024 14.9930 14.9930 k = 0.2762 0.7063-0.0000 ( 2326 PWs) bands (ev): -28.0825 -28.0825 -28.0670 -28.0670 -9.7910 -9.7910 -9.6414 -9.6414 -9.2498 -9.2498 -9.1653 -9.1653 -9.0436 -9.0436 -8.9593 -8.9593 1.4101 1.4101 6.7788 6.7788 7.0894 7.0894 9.3682 9.3682 10.0300 10.0300 10.5228 10.5228 13.0821 13.0821 13.1525 13.1525 13.4338 13.4338 15.0559 15.0559 k = 0.2822 0.7217-0.0000 ( 2330 PWs) bands (ev): -28.0807 -28.0807 -28.0691 -28.0691 -9.7913 -9.7913 -9.6373 -9.6373 -9.2467 -9.2467 -9.1672 -9.1672 -9.0419 -9.0419 -8.9627 -8.9627 1.4051 1.4051 6.7191 6.7191 7.1365 7.1365 9.3667 9.3667 10.0968 10.0968 10.5158 10.5158 13.0229 13.0229 13.1735 13.1735 13.4639 13.4639 15.1180 15.1504 k = 0.2882 0.7370-0.0000 ( 2330 PWs) bands (ev): -28.0789 -28.0789 -28.0713 -28.0713 -9.7909 -9.7909 -9.6329 -9.6329 -9.2437 -9.2437 -9.1693 -9.1693 -9.0403 -9.0403 -8.9659 -8.9659 1.3980 1.3980 6.6560 6.6560 7.1885 7.1885 9.3663 9.3663 10.1693 10.1693 10.5075 10.5075 12.9663 12.9663 13.1979 13.1979 13.4923 13.4923 15.0832 15.0832 k = 0.2882 0.7370-0.0000 ( 2330 PWs) bands (ev): -28.0789 -28.0789 -28.0713 -28.0713 -9.7909 -9.7909 -9.6329 -9.6329 -9.2437 -9.2437 -9.1693 -9.1693 -9.0403 -9.0403 -8.9659 -8.9659 1.3980 1.3980 6.6560 6.6560 7.1885 7.1885 9.3663 9.3663 10.1693 10.1693 10.5075 10.5075 12.9663 12.9663 13.1979 13.1979 13.4923 13.4923 15.0832 15.0832 k = 0.2722 0.7370-0.0000 ( 2329 PWs) bands (ev): -28.0797 -28.0797 -28.0704 -28.0704 -9.7909 -9.7909 -9.6348 -9.6348 -9.2448 -9.2448 -9.1684 -9.1684 -9.0410 -9.0410 -8.9647 -8.9647 1.4006 1.4006 6.6752 6.6752 7.1746 7.1746 9.3665 9.3665 10.1348 10.1348 10.5167 10.5167 12.9847 12.9847 13.1878 13.1878 13.4832 13.4832 15.1122 15.1122 k = 0.2562 0.7370-0.0000 ( 2327 PWs) bands (ev): -28.0807 -28.0807 -28.0692 -28.0692 -9.7904 -9.7904 -9.6372 -9.6372 -9.2457 -9.2457 -9.1674 -9.1674 -9.0417 -9.0417 -8.9635 -8.9635 1.4027 1.4027 6.6860 6.6860 7.1726 7.1726 9.3671 9.3671 10.0879 10.0879 10.5348 10.5348 13.0003 13.0003 13.1762 13.1762 13.4762 13.4762 15.1509 15.1509 k = 0.2402 0.7370-0.0000 ( 2326 PWs) bands (ev): -28.0818 -28.0818 -28.0680 -28.0680 -9.7894 -9.7894 -9.6401 -9.6401 -9.2466 -9.2466 -9.1662 -9.1662 -9.0426 -9.0426 -8.9622 -8.9622 1.4044 1.4044 6.6878 6.6878 7.1830 7.1830 9.3682 9.3682 10.0331 10.0331 10.5576 10.5576 13.0122 13.0122 13.1630 13.1630 13.4719 13.4719 15.1401 15.1938 k = 0.2242 0.7370-0.0000 ( 2328 PWs) bands (ev): -28.0829 -28.0829 -28.0669 -28.0669 -9.7879 -9.7879 -9.6436 -9.6436 -9.2474 -9.2474 -9.1648 -9.1648 -9.0436 -9.0436 -8.9610 -8.9610 1.4057 1.4057 6.6811 6.6811 7.2049 7.2049 9.3696 9.3696 9.9734 9.9734 10.5822 10.5822 13.0198 13.0198 13.1484 13.1484 13.4709 13.4709 15.1385 15.1386 k = 0.2082 0.7370-0.0000 ( 2323 PWs) bands (ev): -28.0839 -28.0839 -28.0657 -28.0657 -9.7860 -9.7860 -9.6476 -9.6476 -9.2480 -9.2480 -9.1633 -9.1633 -9.0446 -9.0446 -8.9597 -8.9597 1.4066 1.4066 6.6679 6.6679 7.2363 7.2363 9.3713 9.3713 9.9109 9.9109 10.6071 10.6071 13.0232 13.0232 13.1329 13.1329 13.4735 13.4735 15.1424 15.1424 k = 0.1922 0.7370-0.0000 ( 2323 PWs) bands (ev): -28.0849 -28.0849 -28.0646 -28.0646 -9.7836 -9.7836 -9.6520 -9.6520 -9.2486 -9.2486 -9.1617 -9.1617 -9.0458 -9.0458 -8.9585 -8.9585 1.4072 1.4072 6.6504 6.6504 7.2748 7.2748 9.3733 9.3733 9.8470 9.8470 10.6312 10.6312 13.0227 13.0227 13.1165 13.1165 13.4793 13.4793 15.1514 15.1514 k = 0.1761 0.7370-0.0000 ( 2328 PWs) bands (ev): -28.0858 -28.0858 -28.0636 -28.0636 -9.7808 -9.7808 -9.6569 -9.6569 -9.2491 -9.2491 -9.1601 -9.1601 -9.0469 -9.0469 -8.9574 -8.9574 1.4076 1.4076 6.6304 6.6304 7.3182 7.3182 9.3754 9.3754 9.7828 9.7828 10.6539 10.6539 13.0190 13.0190 13.0998 13.0998 13.4879 13.4879 15.1651 15.1651 k = 0.1601 0.7370-0.0000 ( 2325 PWs) bands (ev): -28.0867 -28.0867 -28.0626 -28.0626 -9.7775 -9.7775 -9.6622 -9.6622 -9.2495 -9.2495 -9.1583 -9.1583 -9.0481 -9.0481 -8.9564 -8.9564 1.4078 1.4078 6.6095 6.6095 7.3644 7.3644 9.3776 9.3776 9.7193 9.7193 10.6750 10.6750 13.0128 13.0128 13.0830 13.0830 13.4984 13.4984 15.1829 15.1830 k = 0.1441 0.7370-0.0000 ( 2329 PWs) bands (ev): -28.0875 -28.0875 -28.0617 -28.0617 -9.7738 -9.7738 -9.6678 -9.6678 -9.2498 -9.2498 -9.1566 -9.1566 -9.0493 -9.0493 -8.9555 -8.9555 1.4079 1.4079 6.5886 6.5886 7.4120 7.4120 9.3799 9.3799 9.6572 9.6572 10.6942 10.6942 13.0051 13.0051 13.0665 13.0665 13.5102 13.5102 15.2044 15.2044 k = 0.1281 0.7370-0.0000 ( 2326 PWs) bands (ev): -28.0883 -28.0883 -28.0609 -28.0609 -9.7697 -9.7697 -9.6737 -9.6737 -9.2500 -9.2500 -9.1549 -9.1549 -9.0505 -9.0505 -8.9546 -8.9546 1.4078 1.4078 6.5687 6.5687 7.4595 7.4595 9.3821 9.3821 9.5976 9.5976 10.7113 10.7113 12.9966 12.9966 13.0506 13.0506 13.5226 13.5226 15.2287 15.2287 k = 0.1121 0.7370-0.0000 ( 2325 PWs) bands (ev): -28.0889 -28.0889 -28.0602 -28.0602 -9.7653 -9.7653 -9.6798 -9.6798 -9.2501 -9.2501 -9.1532 -9.1532 -9.0516 -9.0516 -8.9538 -8.9538 1.4077 1.4077 6.5502 6.5502 7.5058 7.5058 9.3841 9.3841 9.5413 9.5413 10.7264 10.7264 12.9879 12.9879 13.0358 13.0358 13.5348 13.5348 15.2550 15.2550 k = 0.0961 0.7370-0.0000 ( 2325 PWs) bands (ev): -28.0895 -28.0895 -28.0596 -28.0596 -9.7604 -9.7604 -9.6861 -9.6861 -9.2502 -9.2502 -9.1516 -9.1516 -9.0526 -9.0526 -8.9531 -8.9531 1.4075 1.4075 6.5336 6.5336 7.5494 7.5494 9.3859 9.3859 9.4893 9.4893 10.7394 10.7394 12.9796 12.9796 13.0223 13.0223 13.5464 13.5464 15.2823 15.2823 k = 0.0801 0.7370-0.0000 ( 2329 PWs) bands (ev): -28.0900 -28.0900 -28.0590 -28.0590 -9.7553 -9.7553 -9.6927 -9.6927 -9.2504 -9.2504 -9.1502 -9.1502 -9.0536 -9.0536 -8.9526 -8.9526 1.4073 1.4073 6.5191 6.5191 7.5894 7.5894 9.3871 9.3871 9.4430 9.4430 10.7504 10.7504 12.9719 12.9719 13.0104 13.0104 13.5569 13.5569 15.3093 15.3093 k = 0.0641 0.7370-0.0000 ( 2333 PWs) bands (ev): -28.0904 -28.0904 -28.0586 -28.0586 -9.7499 -9.7499 -9.6993 -9.6993 -9.2504 -9.2504 -9.1490 -9.1490 -9.0544 -9.0544 -8.9521 -8.9521 1.4071 1.4071 6.5071 6.5071 7.6243 7.6243 9.3855 9.3855 9.4056 9.4056 10.7593 10.7593 12.9654 12.9654 13.0003 13.0003 13.5659 13.5659 15.3349 15.3349 k = 0.0480 0.7370-0.0000 ( 2335 PWs) bands (ev): -28.0907 -28.0907 -28.0583 -28.0583 -9.7441 -9.7441 -9.7059 -9.7059 -9.2505 -9.2505 -9.1480 -9.1480 -9.0551 -9.0551 -8.9517 -8.9517 1.4069 1.4069 6.4975 6.4975 7.6530 7.6530 9.3654 9.3654 9.3938 9.3938 10.7661 10.7661 12.9601 12.9601 12.9923 12.9923 13.5733 13.5733 15.3573 15.3573 k = 0.0320 0.7370-0.0000 ( 2331 PWs) bands (ev): -28.0909 -28.0909 -28.0580 -28.0580 -9.7382 -9.7382 -9.7125 -9.7125 -9.2505 -9.2505 -9.1472 -9.1472 -9.0556 -9.0556 -8.9515 -8.9515 1.4068 1.4068 6.4907 6.4907 7.6745 7.6745 9.3423 9.3423 9.3934 9.3934 10.7710 10.7710 12.9562 12.9562 12.9864 12.9864 13.5787 13.5787 15.3750 15.3750 k = 0.0160 0.7370-0.0000 ( 2332 PWs) bands (ev): -28.0911 -28.0911 -28.0579 -28.0579 -9.7320 -9.7320 -9.7190 -9.7190 -9.2505 -9.2505 -9.1467 -9.1467 -9.0559 -9.0559 -8.9513 -8.9513 1.4067 1.4067 6.4865 6.4865 7.6877 7.6877 9.3275 9.3275 9.3937 9.3937 10.7739 10.7739 12.9538 12.9538 12.9829 12.9829 13.5820 13.5820 15.3864 15.3864 k = 0.0000 0.7370-0.0000 ( 2328 PWs) bands (ev): -28.0911 -28.0911 -28.0578 -28.0578 -9.7263 -9.7263 -9.7249 -9.7249 -9.2505 -9.2505 -9.1465 -9.1465 -9.0560 -9.0560 -8.9512 -8.9512 1.4067 1.4067 6.4851 6.4851 7.6922 7.6922 9.3225 9.3225 9.3938 9.3938 10.7749 10.7749 12.9530 12.9530 12.9817 12.9817 13.5831 13.5831 15.3903 15.3903 k = 0.0000 0.7370-0.0000 ( 2328 PWs) bands (ev): -28.0911 -28.0911 -28.0578 -28.0578 -9.7263 -9.7263 -9.7249 -9.7249 -9.2505 -9.2505 -9.1465 -9.1465 -9.0560 -9.0560 -8.9512 -8.9512 1.4067 1.4067 6.4851 6.4851 7.6922 7.6922 9.3225 9.3225 9.3938 9.3938 10.7749 10.7749 12.9530 12.9530 12.9817 12.9817 13.5831 13.5831 15.3903 15.3903 k = 0.0000 0.7370 0.0163 ( 2328 PWs) bands (ev): -28.0911 -28.0911 -28.0578 -28.0578 -9.7268 -9.7268 -9.7242 -9.7242 -9.2508 -9.2508 -9.1465 -9.1465 -9.0563 -9.0563 -8.9513 -8.9513 1.4077 1.4077 6.4853 6.4853 7.6921 7.6921 9.3237 9.3237 9.3873 9.3873 10.7733 10.7733 12.9538 12.9538 12.9791 12.9791 13.5911 13.5911 15.3880 15.3880 k = 0.0000 0.7370 0.0327 ( 2328 PWs) bands (ev): -28.0910 -28.0910 -28.0578 -28.0578 -9.7274 -9.7274 -9.7228 -9.7228 -9.2519 -9.2519 -9.1464 -9.1464 -9.0570 -9.0570 -8.9516 -8.9516 1.4108 1.4108 6.4860 6.4860 7.6916 7.6916 9.3271 9.3271 9.3685 9.3685 10.7684 10.7684 12.9556 12.9556 12.9717 12.9717 13.6149 13.6149 15.3814 15.3814 k = 0.0000 0.7370 0.0490 ( 2330 PWs) bands (ev): -28.0908 -28.0908 -28.0577 -28.0577 -9.7279 -9.7279 -9.7212 -9.7212 -9.2536 -9.2536 -9.1463 -9.1463 -9.0582 -9.0582 -8.9521 -8.9521 1.4160 1.4160 6.4869 6.4869 7.6909 7.6909 9.3273 9.3273 9.3434 9.3434 10.7604 10.7604 12.9551 12.9551 12.9621 12.9621 13.6545 13.6545 15.3709 15.3709 k = 0.0000 0.7370 0.0654 ( 2328 PWs) bands (ev): -28.0906 -28.0906 -28.0576 -28.0576 -9.7282 -9.7282 -9.7194 -9.7194 -9.2561 -9.2561 -9.1462 -9.1462 -9.0599 -9.0599 -8.9528 -8.9528 1.4232 1.4232 6.4880 6.4880 7.6897 7.6897 9.2919 9.2919 9.3456 9.3456 10.7493 10.7493 12.9396 12.9396 12.9627 12.9627 13.7094 13.7094 15.3572 15.3572 k = 0.0000 0.7370 0.0817 ( 2328 PWs) bands (ev): -28.0902 -28.0902 -28.0574 -28.0574 -9.7284 -9.7284 -9.7173 -9.7173 -9.2591 -9.2591 -9.1461 -9.1461 -9.0619 -9.0619 -8.9537 -8.9537 1.4325 1.4325 6.4889 6.4889 7.6882 7.6882 9.2410 9.2410 9.3565 9.3565 10.7351 10.7351 12.9172 12.9172 12.9646 12.9646 13.7788 13.7788 15.3412 15.3412 k = 0.0000 0.7370 0.0981 ( 2332 PWs) bands (ev): -28.0899 -28.0899 -28.0573 -28.0573 -9.7284 -9.7284 -9.7150 -9.7150 -9.2627 -9.2627 -9.1460 -9.1460 -9.0644 -9.0644 -8.9549 -8.9549 1.4439 1.4439 6.4894 6.4894 7.6862 7.6862 9.1822 9.1822 9.3700 9.3700 10.7182 10.7182 12.8899 12.8899 12.9655 12.9655 13.8614 13.8614 15.3239 15.3239 k = 0.0000 0.7370 0.1144 ( 2330 PWs) bands (ev): -28.0894 -28.0894 -28.0571 -28.0571 -9.7282 -9.7282 -9.7125 -9.7125 -9.2669 -9.2669 -9.1459 -9.1459 -9.0673 -9.0673 -8.9562 -8.9562 1.4574 1.4574 6.4889 6.4889 7.6838 7.6838 9.1178 9.1178 9.3858 9.3858 10.6985 10.6985 12.8583 12.8583 12.9649 12.9649 13.9558 13.9558 15.3062 15.3062 k = 0.0000 0.7370 0.1308 ( 2332 PWs) bands (ev): -28.0889 -28.0889 -28.0569 -28.0569 -9.7278 -9.7278 -9.7098 -9.7098 -9.2715 -9.2715 -9.1460 -9.1460 -9.0705 -9.0705 -8.9576 -8.9576 1.4729 1.4729 6.4870 6.4870 7.6809 7.6809 9.0498 9.0498 9.4035 9.4035 10.6764 10.6764 12.8226 12.8226 12.9627 12.9627 14.0601 14.0601 15.2888 15.2888 k = 0.0000 0.7370 0.1471 ( 2338 PWs) bands (ev): -28.0883 -28.0883 -28.0566 -28.0566 -9.7274 -9.7274 -9.7070 -9.7070 -9.2766 -9.2766 -9.1462 -9.1462 -9.0740 -9.0740 -8.9594 -8.9594 1.4905 1.4905 6.4829 6.4829 7.6775 7.6775 8.9802 8.9802 9.4228 9.4228 10.6522 10.6522 12.7830 12.7830 12.9587 12.9587 14.1726 14.1726 15.2725 15.2725 k = 0.0000 0.7370 0.1635 ( 2334 PWs) bands (ev): -28.0877 -28.0877 -28.0564 -28.0564 -9.7268 -9.7268 -9.7039 -9.7039 -9.2821 -9.2821 -9.1466 -9.1466 -9.0777 -9.0777 -8.9613 -8.9613 1.5101 1.5101 6.4760 6.4760 7.6737 7.6737 8.9109 8.9109 9.4435 9.4435 10.6261 10.6261 12.7401 12.7401 12.9532 12.9532 14.2913 14.2913 15.2580 15.2580 k = 0.0000 0.7370 0.1798 ( 2330 PWs) bands (ev): -28.0870 -28.0870 -28.0561 -28.0561 -9.7260 -9.7260 -9.7006 -9.7006 -9.2879 -9.2879 -9.1470 -9.1470 -9.0817 -9.0817 -8.9634 -8.9634 1.5319 1.5319 6.4654 6.4654 7.6697 7.6697 8.8437 8.8437 9.4649 9.4649 10.5985 10.5985 12.6940 12.6940 12.9461 12.9461 14.4145 14.4145 15.2458 15.2458 k = 0.0000 0.7370 0.1961 ( 2330 PWs) bands (ev): -28.0862 -28.0862 -28.0558 -28.0558 -9.7252 -9.7252 -9.6973 -9.6973 -9.2940 -9.2940 -9.1477 -9.1477 -9.0859 -9.0859 -8.9656 -8.9656 1.5557 1.5557 6.4501 6.4501 7.6657 7.6657 8.7801 8.7801 9.4869 9.4869 10.5699 10.5699 12.6453 12.6453 12.9375 12.9375 14.5404 14.5404 15.2363 15.2363 k = 0.0000 0.7370 0.2125 ( 2328 PWs) bands (ev): -28.0854 -28.0854 -28.0555 -28.0555 -9.7244 -9.7244 -9.6938 -9.6938 -9.3004 -9.3004 -9.1486 -9.1486 -9.0901 -9.0901 -8.9681 -8.9681 1.5816 1.5816 6.4291 6.4291 7.6622 7.6622 8.7217 8.7217 9.5086 9.5086 10.5407 10.5407 12.5942 12.5942 12.9275 12.9275 14.6675 14.6675 15.2297 15.2297 k = 0.0000 0.7370 0.2288 ( 2334 PWs) bands (ev): -28.0846 -28.0846 -28.0552 -28.0552 -9.7235 -9.7235 -9.6902 -9.6902 -9.3069 -9.3069 -9.1498 -9.1498 -9.0945 -9.0945 -8.9708 -8.9708 1.6096 1.6096 6.4015 6.4015 7.6596 7.6596 8.6694 8.6694 9.5296 9.5296 10.5115 10.5115 12.5413 12.5413 12.9162 12.9162 14.7944 14.7944 15.2264 15.2264 k = 0.0000 0.7370 0.2452 ( 2336 PWs) bands (ev): -28.0837 -28.0837 -28.0548 -28.0548 -9.7225 -9.7225 -9.6866 -9.6866 -9.3135 -9.3135 -9.1512 -9.1512 -9.0989 -9.0989 -8.9736 -8.9736 1.6396 1.6396 6.3664 6.3664 7.6585 7.6585 8.6241 8.6241 9.5490 9.5490 10.4831 10.4831 12.4868 12.4868 12.9036 12.9036 14.9197 14.9197 15.2266 15.2266 k = 0.0000 0.7370 0.2615 ( 2340 PWs) bands (ev): -28.0828 -28.0828 -28.0545 -28.0545 -9.7216 -9.7216 -9.6830 -9.6830 -9.3203 -9.3203 -9.1529 -9.1529 -9.1032 -9.1032 -8.9765 -8.9765 1.6718 1.6718 6.3233 6.3233 7.6597 7.6597 8.5864 8.5864 9.5659 9.5659 10.4562 10.4562 12.4313 12.4313 12.8899 12.8899 15.0424 15.0424 15.2303 15.2303 k = 0.0000 0.7370 0.2779 ( 2342 PWs) bands (ev): -28.0818 -28.0818 -28.0541 -28.0541 -9.7206 -9.7206 -9.6794 -9.6794 -9.3270 -9.3270 -9.1550 -9.1550 -9.1074 -9.1074 -8.9797 -8.9797 1.7060 1.7060 6.2718 6.2718 7.6637 7.6637 8.5562 8.5562 9.5795 9.5795 10.4315 10.4315 12.3752 12.3752 12.8749 12.8749 15.1618 15.1618 15.2378 15.2378 k = 0.0000 0.7370 0.2942 ( 2338 PWs) bands (ev): -28.0808 -28.0808 -28.0538 -28.0538 -9.7196 -9.7196 -9.6758 -9.6758 -9.3335 -9.3335 -9.1572 -9.1572 -9.1114 -9.1114 -8.9830 -8.9830 1.7423 1.7423 6.2119 6.2119 7.6709 7.6709 8.5337 8.5337 9.5888 9.5888 10.4098 10.4098 12.3190 12.3190 12.8590 12.8590 15.2486 15.2486 15.2776 15.2776 k = 0.0000 0.7370 0.3106 ( 2336 PWs) bands (ev): -28.0797 -28.0797 -28.0534 -28.0534 -9.7187 -9.7187 -9.6723 -9.6723 -9.3399 -9.3399 -9.1599 -9.1599 -9.1152 -9.1152 -8.9864 -8.9864 1.7807 1.7807 6.1438 6.1438 7.6816 7.6816 8.5184 8.5184 9.5928 9.5928 10.3917 10.3917 12.2632 12.2632 12.8420 12.8420 15.2637 15.2637 15.3888 15.3888 k = 0.0000 0.7370 0.3269 ( 2332 PWs) bands (ev): -28.0786 -28.0786 -28.0531 -28.0531 -9.7177 -9.7177 -9.6689 -9.6689 -9.3461 -9.3461 -9.1628 -9.1628 -9.1188 -9.1188 -8.9899 -8.9899 1.8212 1.8212 6.0682 6.0682 7.6960 7.6960 8.5099 8.5099 9.5908 9.5908 10.3778 10.3778 12.2083 12.2083 12.8241 12.8241 15.2824 15.2824 15.4960 15.4960 k = 0.0000 0.7370 0.3433 ( 2334 PWs) bands (ev): -28.0775 -28.0775 -28.0527 -28.0527 -9.7169 -9.7169 -9.6658 -9.6658 -9.3520 -9.3520 -9.1661 -9.1661 -9.1221 -9.1221 -8.9936 -8.9936 1.8638 1.8638 5.9856 5.9856 7.7139 7.7139 8.5079 8.5079 9.5824 9.5824 10.3680 10.3680 12.1548 12.1548 12.8052 12.8052 15.3048 15.3048 15.5991 15.5991 k = 0.0000 0.7370 0.3596 ( 2336 PWs) bands (ev): -28.0764 -28.0764 -28.0524 -28.0524 -9.7161 -9.7161 -9.6630 -9.6630 -9.3575 -9.3575 -9.1697 -9.1697 -9.1250 -9.1250 -8.9975 -8.9975 1.9085 1.9085 5.8971 5.8971 7.7351 7.7351 8.5119 8.5119 9.5675 9.5675 10.3621 10.3621 12.1034 12.1034 12.7855 12.7855 15.3308 15.3308 15.6983 15.6983 k = 0.0000 0.7370 0.3759 ( 2338 PWs) bands (ev): -28.0753 -28.0753 -28.0521 -28.0521 -9.7154 -9.7154 -9.6605 -9.6605 -9.3625 -9.3625 -9.1736 -9.1736 -9.1277 -9.1277 -9.0014 -9.0014 1.9553 1.9553 5.8034 5.8034 7.7594 7.7594 8.5213 8.5213 9.5462 9.5462 10.3592 10.3592 12.0548 12.0548 12.7650 12.7650 15.3605 15.3605 15.7937 15.7937 k = 0.0000 0.7370 0.3923 ( 2344 PWs) bands (ev): -28.0741 -28.0741 -28.0518 -28.0518 -9.7147 -9.7147 -9.6583 -9.6583 -9.3669 -9.3669 -9.1778 -9.1778 -9.1300 -9.1300 -9.0055 -9.0055 2.0042 2.0042 5.7054 5.7054 7.7862 7.7862 8.5360 8.5360 9.5193 9.5193 10.3583 10.3583 12.0095 12.0095 12.7438 12.7438 15.3937 15.3937 15.8856 15.8856 k = 0.0000 0.7370 0.4086 ( 2346 PWs) bands (ev): -28.0730 -28.0730 -28.0515 -28.0515 -9.7141 -9.7141 -9.6566 -9.6566 -9.3707 -9.3707 -9.1822 -9.1822 -9.1320 -9.1320 -9.0096 -9.0096 2.0552 2.0552 5.6039 5.6039 7.8153 7.8153 8.5554 8.5554 9.4873 9.4873 10.3580 10.3580 11.9683 11.9683 12.7219 12.7219 15.4303 15.4303 15.9740 15.9740 k = 0.0000 0.7370 0.4250 ( 2340 PWs) bands (ev): -28.0718 -28.0718 -28.0512 -28.0512 -9.7136 -9.7136 -9.6553 -9.6553 -9.3738 -9.3738 -9.1868 -9.1868 -9.1337 -9.1337 -9.0139 -9.0139 2.1083 2.1083 5.4997 5.4997 7.8463 7.8463 8.5794 8.5794 9.4511 9.4511 10.3570 10.3570 11.9319 11.9319 12.6993 12.6993 15.4703 15.4703 16.0584 16.0584 k = 0.0000 0.7370 0.4413 ( 2340 PWs) bands (ev): -28.0706 -28.0706 -28.0510 -28.0510 -9.7131 -9.7131 -9.6546 -9.6546 -9.3762 -9.3762 -9.1916 -9.1916 -9.1350 -9.1350 -9.0182 -9.0182 2.1635 2.1635 5.3933 5.3933 7.8787 7.8787 8.6076 8.6076 9.4115 9.4115 10.3539 10.3539 11.9009 11.9009 12.6762 12.6762 15.5133 15.5133 16.1378 16.1378 k = 0.0000 0.7370 0.4577 ( 2342 PWs) bands (ev): -28.0695 -28.0695 -28.0508 -28.0508 -9.7127 -9.7127 -9.6543 -9.6543 -9.3777 -9.3777 -9.1967 -9.1967 -9.1359 -9.1359 -9.0226 -9.0226 2.2208 2.2208 5.2854 5.2854 7.9124 7.9124 8.6399 8.6399 9.3690 9.3690 10.3476 10.3476 11.8758 11.8758 12.6524 12.6524 15.5594 15.5594 16.2105 16.2105 k = 0.0000 0.7370 0.4740 ( 2346 PWs) bands (ev): -28.0683 -28.0683 -28.0506 -28.0506 -9.7123 -9.7123 -9.6546 -9.6546 -9.3785 -9.3785 -9.2020 -9.2020 -9.1365 -9.1365 -9.0271 -9.0271 2.2802 2.2802 5.1763 5.1763 7.9470 7.9470 8.6759 8.6759 9.3245 9.3245 10.3370 10.3370 11.8570 11.8570 12.6280 12.6280 15.6082 15.6082 16.2732 16.2732 k = 0.0000 0.7370 0.4904 ( 2340 PWs) bands (ev): -28.0672 -28.0672 -28.0504 -28.0504 -9.7119 -9.7119 -9.6553 -9.6553 -9.3784 -9.3784 -9.2074 -9.2074 -9.1367 -9.1367 -9.0316 -9.0316 2.3417 2.3417 5.0667 5.0667 7.9824 7.9824 8.7155 8.7155 9.2782 9.2782 10.3213 10.3213 11.8448 11.8448 12.6031 12.6031 15.6596 15.6596 16.3229 16.3229 k = 0.0000 0.7370 0.5067 ( 2342 PWs) bands (ev): -28.0660 -28.0660 -28.0503 -28.0503 -9.7115 -9.7115 -9.6566 -9.6566 -9.3775 -9.3775 -9.2131 -9.2131 -9.1366 -9.1366 -9.0362 -9.0362 2.4053 2.4053 4.9568 4.9568 8.0184 8.0184 8.7585 8.7585 9.2308 9.2308 10.3002 10.3002 11.8391 11.8391 12.5777 12.5777 15.7132 15.7132 16.3598 16.3598 k = 0.0000 0.7370 0.5231 ( 2342 PWs) bands (ev): -28.0649 -28.0649 -28.0502 -28.0502 -9.7111 -9.7111 -9.6583 -9.6583 -9.3758 -9.3758 -9.2189 -9.2189 -9.1361 -9.1361 -9.0409 -9.0409 2.4710 2.4710 4.8470 4.8470 8.0548 8.0548 8.8046 8.8046 9.1826 9.1826 10.2734 10.2734 11.8397 11.8397 12.5517 12.5517 15.7688 15.7688 16.3875 16.3875 k = 0.0000 0.7370 0.5394 ( 2342 PWs) bands (ev): -28.0638 -28.0638 -28.0502 -28.0502 -9.7107 -9.7107 -9.6604 -9.6604 -9.3734 -9.3734 -9.2248 -9.2248 -9.1352 -9.1352 -9.0456 -9.0456 2.5387 2.5387 4.7375 4.7375 8.0916 8.0916 8.8535 8.8535 9.1339 9.1339 10.2411 10.2411 11.8462 11.8462 12.5252 12.5252 15.8260 15.8260 16.4098 16.4098 k = 0.0000 0.7370 0.5557 ( 2338 PWs) bands (ev): -28.0628 -28.0628 -28.0502 -28.0502 -9.7102 -9.7102 -9.6629 -9.6629 -9.3702 -9.3702 -9.2310 -9.2310 -9.1340 -9.1340 -9.0503 -9.0503 2.6086 2.6086 4.6285 4.6285 8.1288 8.1288 8.9051 8.9051 9.0849 9.0849 10.2036 10.2036 11.8581 11.8581 12.4983 12.4983 15.8844 15.8844 16.4287 16.4287 k = 0.0000 0.7370 0.5721 ( 2336 PWs) bands (ev): -28.0617 -28.0617 -28.0503 -28.0503 -9.7096 -9.7096 -9.6656 -9.6656 -9.3664 -9.3664 -9.2373 -9.2373 -9.1324 -9.1324 -9.0551 -9.0551 2.6805 2.6805 4.5204 4.5204 8.1663 8.1663 8.9590 8.9590 9.0360 9.0360 10.1612 10.1612 11.8747 11.8747 12.4707 12.4707 15.9434 15.9434 16.4453 16.4453 k = 0.0000 0.7370 0.5884 ( 2336 PWs) bands (ev): -28.0607 -28.0607 -28.0504 -28.0504 -9.7089 -9.7089 -9.6685 -9.6685 -9.3621 -9.3621 -9.2438 -9.2438 -9.1305 -9.1305 -9.0599 -9.0599 2.7545 2.7545 4.4132 4.4132 8.2042 8.2042 8.9858 8.9858 9.0164 9.0164 10.1145 10.1145 11.8953 11.8953 12.4427 12.4427 16.0026 16.0026 16.4600 16.4600 k = 0.0000 0.7370 0.6048 ( 2338 PWs) bands (ev): -28.0597 -28.0597 -28.0505 -28.0505 -9.7081 -9.7081 -9.6716 -9.6716 -9.3572 -9.3572 -9.2504 -9.2504 -9.1283 -9.1283 -9.0646 -9.0646 2.8305 2.8305 4.3071 4.3071 8.2425 8.2425 8.9379 8.9379 9.0739 9.0739 10.0639 10.0639 11.9193 11.9193 12.4141 12.4141 16.0614 16.0614 16.4727 16.4727 k = 0.0000 0.7370 0.6211 ( 2336 PWs) bands (ev): -28.0588 -28.0588 -28.0507 -28.0507 -9.7072 -9.7072 -9.6748 -9.6748 -9.3518 -9.3518 -9.2571 -9.2571 -9.1257 -9.1257 -9.0694 -9.0694 2.9086 2.9086 4.2022 4.2022 8.2813 8.2813 8.8897 8.8897 9.1336 9.1336 10.0101 10.0101 11.9459 11.9459 12.3850 12.3850 16.1191 16.1191 16.4830 16.4830 k = 0.0000 0.7370 0.6375 ( 2338 PWs) bands (ev): -28.0579 -28.0579 -28.0510 -28.0510 -9.7061 -9.7061 -9.6780 -9.6780 -9.3461 -9.3461 -9.2640 -9.2640 -9.1229 -9.1229 -9.0741 -9.0741 2.9887 2.9887 4.0987 4.0987 8.3205 8.3205 8.8419 8.8419 9.1948 9.1948 9.9535 9.9535 11.9746 11.9746 12.3553 12.3553 16.1751 16.1751 16.4903 16.4903 k = 0.0000 0.7370 0.6538 ( 2332 PWs) bands (ev): -28.0571 -28.0571 -28.0513 -28.0513 -9.7048 -9.7048 -9.6811 -9.6811 -9.3400 -9.3400 -9.2709 -9.2709 -9.1198 -9.1198 -9.0788 -9.0788 3.0708 3.0708 3.9966 3.9966 8.3603 8.3603 8.7947 8.7947 9.2573 9.2573 9.8946 9.8946 12.0049 12.0049 12.3250 12.3250 16.2286 16.2286 16.4940 16.4940 k = 0.0000 0.7370 0.6702 ( 2334 PWs) bands (ev): -28.0563 -28.0563 -28.0516 -28.0516 -9.7033 -9.7033 -9.6843 -9.6843 -9.3336 -9.3336 -9.2779 -9.2779 -9.1165 -9.1165 -9.0834 -9.0834 3.1549 3.1549 3.8961 3.8961 8.4007 8.4007 8.7481 8.7481 9.3207 9.3207 9.8338 9.8338 12.0363 12.0363 12.2943 12.2943 16.2788 16.2788 16.4933 16.4933 k = 0.0000 0.7370 0.6865 ( 2334 PWs) bands (ev): -28.0555 -28.0555 -28.0520 -28.0520 -9.7016 -9.7016 -9.6873 -9.6873 -9.3271 -9.3271 -9.2850 -9.2850 -9.1129 -9.1129 -9.0880 -9.0880 3.2410 3.2410 3.7972 3.7972 8.4416 8.4416 8.7022 8.7022 9.3848 9.3848 9.7716 9.7716 12.0685 12.0685 12.2630 12.2630 16.3250 16.3250 16.4873 16.4873 k = 0.0000 0.7370 0.7029 ( 2336 PWs) bands (ev): -28.0548 -28.0548 -28.0525 -28.0525 -9.6997 -9.6997 -9.6901 -9.6901 -9.3203 -9.3203 -9.2922 -9.2922 -9.1092 -9.1092 -9.0925 -9.0925 3.3291 3.3291 3.7000 3.7000 8.4833 8.4833 8.6570 8.6570 9.4495 9.4495 9.7082 9.7082 12.1010 12.1010 12.2312 12.2312 16.3666 16.3666 16.4755 16.4755 k = 0.0000 0.7370 0.7192 ( 2334 PWs) bands (ev): -28.0541 -28.0541 -28.0530 -28.0530 -9.6976 -9.6976 -9.6928 -9.6928 -9.3134 -9.3134 -9.2993 -9.2993 -9.1052 -9.1052 -9.0969 -9.0969 3.4190 3.4190 3.6045 3.6045 8.5256 8.5256 8.6125 8.6125 9.5144 9.5144 9.6440 9.6440 12.1338 12.1338 12.1990 12.1990 16.4028 16.4028 16.4576 16.4576 k = 0.0000 0.7370 0.7355 ( 2332 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.6953 -9.6953 -9.6953 -9.6953 -9.3063 -9.3063 -9.3063 -9.3063 -9.1011 -9.1011 -9.1011 -9.1011 3.5108 3.5108 3.5108 3.5108 8.5687 8.5687 8.5687 8.5687 9.5793 9.5793 9.5793 9.5793 12.1665 12.1665 12.1665 12.1665 16.4333 16.4333 16.4333 16.4333 k = 0.0000 0.7370 0.7355 ( 2332 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.6953 -9.6953 -9.6953 -9.6953 -9.3063 -9.3063 -9.3063 -9.3063 -9.1011 -9.1011 -9.1011 -9.1011 3.5108 3.5108 3.5108 3.5108 8.5687 8.5687 8.5687 8.5687 9.5793 9.5793 9.5793 9.5793 12.1665 12.1665 12.1665 12.1665 16.4333 16.4333 16.4333 16.4333 k = 0.0160 0.7370 0.7355 ( 2336 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.6970 -9.6970 -9.6936 -9.6936 -9.3125 -9.3125 -9.3003 -9.3003 -9.1055 -9.1055 -9.0967 -9.0967 3.5107 3.5107 3.5114 3.5114 8.5667 8.5667 8.5679 8.5679 9.5801 9.5801 9.5803 9.5803 12.1672 12.1672 12.1680 12.1680 16.4272 16.4272 16.4274 16.4274 k = 0.0320 0.7370 0.7355 ( 2334 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.6987 -9.6987 -9.6919 -9.6919 -9.3186 -9.3186 -9.2944 -9.2944 -9.1097 -9.1097 -9.0921 -9.0921 3.5112 3.5112 3.5125 3.5125 8.5619 8.5619 8.5644 8.5644 9.5827 9.5827 9.5831 9.5831 12.1702 12.1702 12.1716 12.1716 16.4093 16.4093 16.4095 16.4095 k = 0.0480 0.7370 0.7355 ( 2332 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.7004 -9.7004 -9.6902 -9.6902 -9.3247 -9.3247 -9.2887 -9.2887 -9.1137 -9.1137 -9.0876 -9.0876 3.5120 3.5120 3.5140 3.5140 8.5546 8.5546 8.5583 8.5583 9.5869 9.5869 9.5875 9.5875 12.1752 12.1752 12.1774 12.1774 16.3796 16.3796 16.3801 16.3801 k = 0.0641 0.7370 0.7355 ( 2332 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7020 -9.7020 -9.6886 -9.6886 -9.3307 -9.3307 -9.2832 -9.2832 -9.1175 -9.1175 -9.0830 -9.0830 3.5134 3.5134 3.5160 3.5160 8.5449 8.5449 8.5497 8.5497 9.5927 9.5927 9.5934 9.5934 12.1823 12.1823 12.1851 12.1851 16.3389 16.3389 16.3396 16.3396 k = 0.0801 0.7370 0.7355 ( 2334 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7036 -9.7036 -9.6870 -9.6870 -9.3366 -9.3366 -9.2780 -9.2780 -9.1210 -9.1210 -9.0785 -9.0785 3.5151 3.5151 3.5184 3.5184 8.5330 8.5330 8.5390 8.5390 9.5997 9.5997 9.6007 9.6007 12.1912 12.1912 12.1947 12.1947 16.2885 16.2885 16.2896 16.2896 k = 0.0961 0.7370 0.7355 ( 2330 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7052 -9.7052 -9.6854 -9.6854 -9.3424 -9.3424 -9.2731 -9.2731 -9.1242 -9.1242 -9.0741 -9.0741 3.5173 3.5173 3.5211 3.5211 8.5194 8.5194 8.5264 8.5264 9.6079 9.6079 9.6091 9.6091 12.2018 12.2018 12.2058 12.2058 16.2305 16.2305 16.2320 16.2320 k = 0.1121 0.7370 0.7355 ( 2328 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7067 -9.7067 -9.6839 -9.6839 -9.3480 -9.3480 -9.2686 -9.2686 -9.1271 -9.1271 -9.0697 -9.0697 3.5198 3.5198 3.5242 3.5242 8.5043 8.5043 8.5122 8.5122 9.6169 9.6169 9.6184 9.6184 12.2137 12.2137 12.2183 12.2183 16.1670 16.1670 16.1688 16.1688 k = 0.1281 0.7370 0.7355 ( 2336 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7081 -9.7081 -9.6826 -9.6826 -9.3534 -9.3534 -9.2646 -9.2646 -9.1295 -9.1295 -9.0655 -9.0655 3.5226 3.5226 3.5276 3.5276 8.4881 8.4881 8.4969 8.4969 9.6266 9.6266 9.6283 9.6283 12.2268 12.2268 12.2318 12.2318 16.0999 16.0999 16.1022 16.1022 k = 0.1441 0.7370 0.7355 ( 2338 PWs) bands (ev): -28.0537 -28.0537 -28.0537 -28.0537 -9.7095 -9.7095 -9.6813 -9.6813 -9.3585 -9.3585 -9.2610 -9.2610 -9.1315 -9.1315 -9.0614 -9.0614 3.5256 3.5256 3.5311 3.5311 8.4711 8.4711 8.4807 8.4807 9.6368 9.6368 9.6386 9.6386 12.2406 12.2406 12.2461 12.2461 16.0314 16.0314 16.0340 16.0340 k = 0.1601 0.7370 0.7355 ( 2338 PWs) bands (ev): -28.0537 -28.0537 -28.0537 -28.0537 -9.7108 -9.7108 -9.6800 -9.6800 -9.3634 -9.3634 -9.2579 -9.2579 -9.1331 -9.1331 -9.0575 -9.0575 3.5288 3.5288 3.5349 3.5349 8.4538 8.4538 8.4641 8.4641 9.6471 9.6471 9.6492 9.6492 12.2548 12.2548 12.2607 12.2607 15.9629 15.9629 15.9659 15.9659 k = 0.1761 0.7370 0.7355 ( 2336 PWs) bands (ev): -28.0537 -28.0537 -28.0537 -28.0537 -9.7120 -9.7120 -9.6789 -9.6789 -9.3678 -9.3678 -9.2554 -9.2554 -9.1341 -9.1341 -9.0538 -9.0538 3.5322 3.5322 3.5386 3.5386 8.4364 8.4364 8.4474 8.4474 9.6575 9.6575 9.6598 9.6598 12.2691 12.2691 12.2753 12.2753 15.8959 15.8959 15.8991 15.8991 k = 0.1922 0.7370 0.7355 ( 2332 PWs) bands (ev): -28.0538 -28.0538 -28.0538 -28.0538 -9.7131 -9.7131 -9.6779 -9.6779 -9.3720 -9.3720 -9.2534 -9.2534 -9.1346 -9.1346 -9.0502 -9.0502 3.5355 3.5355 3.5424 3.5424 8.4194 8.4194 8.4308 8.4308 9.6678 9.6678 9.6703 9.6703 12.2830 12.2830 12.2895 12.2895 15.8315 15.8315 15.8349 15.8349 k = 0.2082 0.7370 0.7355 ( 2334 PWs) bands (ev): -28.0538 -28.0538 -28.0538 -28.0538 -9.7141 -9.7141 -9.6770 -9.6770 -9.3757 -9.3757 -9.2519 -9.2519 -9.1347 -9.1347 -9.0469 -9.0469 3.5389 3.5389 3.5461 3.5461 8.4029 8.4029 8.4148 8.4148 9.6778 9.6778 9.6805 9.6805 12.2962 12.2962 12.3029 12.3029 15.7705 15.7705 15.7742 15.7742 k = 0.2242 0.7370 0.7355 ( 2336 PWs) bands (ev): -28.0539 -28.0539 -28.0539 -28.0539 -9.7150 -9.7150 -9.6763 -9.6763 -9.3791 -9.3791 -9.2510 -9.2510 -9.1343 -9.1343 -9.0439 -9.0439 3.5421 3.5421 3.5497 3.5497 8.3874 8.3874 8.3996 8.3996 9.6875 9.6875 9.6903 9.6903 12.3082 12.3082 12.3150 12.3150 15.7139 15.7139 15.7178 15.7178 k = 0.2402 0.7370 0.7355 ( 2334 PWs) bands (ev): -28.0539 -28.0539 -28.0539 -28.0539 -9.7158 -9.7158 -9.6756 -9.6756 -9.3820 -9.3820 -9.2505 -9.2505 -9.1336 -9.1336 -9.0411 -9.0411 3.5451 3.5451 3.5530 3.5530 8.3730 8.3730 8.3854 8.3854 9.6967 9.6967 9.6997 9.6997 12.3187 12.3187 12.3256 12.3256 15.6623 15.6623 15.6663 15.6663 k = 0.2562 0.7370 0.7355 ( 2338 PWs) bands (ev): -28.0540 -28.0540 -28.0540 -28.0540 -9.7165 -9.7165 -9.6751 -9.6751 -9.3845 -9.3845 -9.2504 -9.2504 -9.1325 -9.1325 -9.0385 -9.0385 3.5479 3.5479 3.5560 3.5560 8.3599 8.3599 8.3726 8.3726 9.7054 9.7054 9.7085 9.7085 12.3273 12.3273 12.3342 12.3342 15.6161 15.6161 15.6202 15.6202 k = 0.2722 0.7370 0.7355 ( 2336 PWs) bands (ev): -28.0540 -28.0540 -28.0540 -28.0540 -9.7170 -9.7170 -9.6747 -9.6747 -9.3865 -9.3865 -9.2507 -9.2507 -9.1312 -9.1312 -9.0363 -9.0363 3.5503 3.5503 3.5586 3.5586 8.3485 8.3485 8.3612 8.3612 9.7135 9.7135 9.7168 9.7168 12.3337 12.3337 12.3405 12.3405 15.5759 15.5759 15.5799 15.5799 k = 0.2882 0.7370 0.7355 ( 2340 PWs) bands (ev): -28.0541 -28.0541 -28.0541 -28.0541 -9.7174 -9.7174 -9.6745 -9.6745 -9.3882 -9.3882 -9.2512 -9.2512 -9.1297 -9.1297 -9.0344 -9.0344 3.5522 3.5522 3.5607 3.5607 8.3389 8.3389 8.3516 8.3516 9.7210 9.7210 9.7244 9.7244 12.3377 12.3377 12.3444 12.3444 15.5417 15.5417 15.5458 15.5458 k = 0.2882 0.7370 0.7355 ( 2340 PWs) bands (ev): -28.0541 -28.0541 -28.0541 -28.0541 -9.7174 -9.7174 -9.6745 -9.6745 -9.3882 -9.3882 -9.2512 -9.2512 -9.1297 -9.1297 -9.0344 -9.0344 3.5522 3.5522 3.5607 3.5607 8.3389 8.3389 8.3516 8.3516 9.7210 9.7210 9.7244 9.7244 12.3377 12.3377 12.3444 12.3444 15.5417 15.5417 15.5458 15.5458 k = 0.2822 0.7217 0.7355 ( 2336 PWs) bands (ev): -28.0539 -28.0539 -28.0539 -28.0539 -9.7165 -9.7165 -9.6751 -9.6751 -9.3841 -9.3841 -9.2494 -9.2494 -9.1341 -9.1341 -9.0394 -9.0394 3.5470 3.5470 3.5551 3.5551 8.3638 8.3638 8.3766 8.3766 9.7014 9.7014 9.7046 9.7046 12.3304 12.3304 12.3375 12.3375 15.6272 15.6272 15.6313 15.6313 k = 0.2762 0.7063 0.7355 ( 2336 PWs) bands (ev): -28.0538 -28.0538 -28.0538 -28.0538 -9.7154 -9.7154 -9.6757 -9.6757 -9.3797 -9.3797 -9.2476 -9.2476 -9.1382 -9.1382 -9.0446 -9.0446 3.5411 3.5411 3.5489 3.5489 8.3892 8.3892 8.4023 8.4023 9.6835 9.6835 9.6864 9.6864 12.3236 12.3236 12.3313 12.3313 15.7071 15.7071 15.7113 15.7113 k = 0.2702 0.6910 0.7355 ( 2340 PWs) bands (ev): -28.0537 -28.0537 -28.0537 -28.0537 -9.7142 -9.7142 -9.6763 -9.6763 -9.3750 -9.3750 -9.2460 -9.2460 -9.1420 -9.1420 -9.0499 -9.0499 3.5347 3.5347 3.5421 3.5421 8.4152 8.4152 8.4286 8.4286 9.6674 9.6674 9.6700 9.6700 12.3170 12.3170 12.3251 12.3251 15.7792 15.7792 15.7835 15.7835 k = 0.2642 0.6756 0.7355 ( 2340 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7129 -9.7129 -9.6767 -9.6767 -9.3701 -9.3701 -9.2446 -9.2446 -9.1453 -9.1453 -9.0551 -9.0551 3.5278 3.5278 3.5348 3.5348 8.4417 8.4417 8.4553 8.4553 9.6531 9.6531 9.6555 9.6555 12.3102 12.3102 12.3189 12.3189 15.8404 15.8404 15.8448 15.8448 k = 0.2582 0.6603 0.7355 ( 2340 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7113 -9.7113 -9.6771 -9.6771 -9.3649 -9.3649 -9.2437 -9.2437 -9.1482 -9.1482 -9.0604 -9.0604 3.5203 3.5203 3.5269 3.5269 8.4685 8.4685 8.4823 8.4823 9.6407 9.6407 9.6428 9.6428 12.3028 12.3028 12.3120 12.3120 15.8870 15.8870 15.8915 15.8915 k = 0.2522 0.6449 0.7355 ( 2340 PWs) bands (ev): -28.0535 -28.0535 -28.0535 -28.0535 -9.7096 -9.7096 -9.6772 -9.6772 -9.3596 -9.3596 -9.2432 -9.2432 -9.1505 -9.1505 -9.0657 -9.0657 3.5125 3.5125 3.5186 3.5186 8.4955 8.4955 8.5096 8.5096 9.6303 9.6303 9.6321 9.6321 12.2945 12.2945 12.3042 12.3042 15.9152 15.9152 15.9197 15.9197 k = 0.2462 0.6296 0.7355 ( 2340 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7076 -9.7076 -9.6772 -9.6772 -9.3541 -9.3541 -9.2433 -9.2433 -9.1521 -9.1521 -9.0711 -9.0711 3.5042 3.5042 3.5099 3.5099 8.5226 8.5226 8.5369 8.5369 9.6219 9.6219 9.6234 9.6234 12.2848 12.2848 12.2951 12.2951 15.9233 15.9233 15.9276 15.9276 k = 0.2402 0.6142 0.7355 ( 2344 PWs) bands (ev): -28.0536 -28.0536 -28.0536 -28.0536 -9.7054 -9.7054 -9.6770 -9.6770 -9.3485 -9.3485 -9.2440 -9.2440 -9.1530 -9.1530 -9.0764 -9.0764 3.4955 3.4955 3.5008 3.5008 8.5496 8.5496 8.5642 8.5642 9.6157 9.6157 9.6169 9.6169 12.2734 12.2734 12.2843 12.2843 15.9129 15.9129 15.9170 15.9170 k = 0.2342 0.5988 0.7355 ( 2348 PWs) bands (ev): -28.0537 -28.0537 -28.0537 -28.0537 -9.7030 -9.7030 -9.6765 -9.6765 -9.3429 -9.3429 -9.2454 -9.2454 -9.1532 -9.1532 -9.0817 -9.0817 3.4865 3.4865 3.4913 3.4913 8.5764 8.5764 8.5913 8.5913 9.6118 9.6118 9.6126 9.6126 12.2601 12.2601 12.2715 12.2715 15.8888 15.8888 15.8927 15.8927 k = 0.2282 0.5835 0.7355 ( 2352 PWs) bands (ev): -28.0538 -28.0538 -28.0538 -28.0538 -9.7003 -9.7003 -9.6759 -9.6759 -9.3372 -9.3372 -9.2473 -9.2473 -9.1528 -9.1528 -9.0870 -9.0870 3.4772 3.4772 3.4816 3.4816 8.6028 8.6028 8.6180 8.6180 9.6102 9.6102 9.6106 9.6106 12.2444 12.2444 12.2564 12.2564 15.8567 15.8567 15.8602 15.8602 k = 0.2222 0.5681 0.7355 ( 2344 PWs) bands (ev): -28.0539 -28.0539 -28.0539 -28.0539 -9.6973 -9.6973 -9.6749 -9.6749 -9.3315 -9.3315 -9.2498 -9.2498 -9.1516 -9.1516 -9.0922 -9.0922 3.4677 3.4677 3.4716 3.4716 8.6288 8.6288 8.6442 8.6442 9.6110 9.6110 9.6111 9.6111 12.2264 12.2264 12.2388 12.2388 15.8214 15.8214 15.8246 15.8246 k = 0.2162 0.5528 0.7355 ( 2340 PWs) bands (ev): -28.0541 -28.0541 -28.0541 -28.0541 -9.6942 -9.6942 -9.6738 -9.6738 -9.3258 -9.3258 -9.2528 -9.2528 -9.1499 -9.1499 -9.0973 -9.0973 3.4579 3.4579 3.4614 3.4614 8.6540 8.6540 8.6696 8.6696 9.6140 9.6140 9.6143 9.6143 12.2056 12.2056 12.2185 12.2185 15.7863 15.7863 15.7893 15.7893 k = 0.2102 0.5374 0.7355 ( 2340 PWs) bands (ev): -28.0542 -28.0542 -28.0542 -28.0542 -9.6908 -9.6908 -9.6724 -9.6724 -9.3201 -9.3201 -9.2562 -9.2562 -9.1478 -9.1478 -9.1023 -9.1023 3.4480 3.4480 3.4510 3.4510 8.6783 8.6783 8.6942 8.6942 9.6195 9.6195 9.6201 9.6201 12.1822 12.1822 12.1955 12.1955 15.7539 15.7539 15.7567 15.7567 k = 0.2042 0.5221 0.7355 ( 2342 PWs) bands (ev): -28.0544 -28.0544 -28.0544 -28.0544 -9.6872 -9.6872 -9.6709 -9.6709 -9.3145 -9.3145 -9.2600 -9.2600 -9.1454 -9.1454 -9.1073 -9.1073 3.4379 3.4379 3.4405 3.4405 8.7017 8.7017 8.7177 8.7177 9.6277 9.6277 9.6286 9.6286 12.1560 12.1560 12.1697 12.1697 15.7258 15.7258 15.7285 15.7285 k = 0.1982 0.5067 0.7355 ( 2342 PWs) bands (ev): -28.0547 -28.0547 -28.0547 -28.0547 -9.6834 -9.6834 -9.6691 -9.6691 -9.3089 -9.3089 -9.2639 -9.2639 -9.1426 -9.1426 -9.1122 -9.1122 3.4277 3.4277 3.4299 3.4299 8.7239 8.7239 8.7400 8.7400 9.6385 9.6385 9.6397 9.6397 12.1271 12.1271 12.1411 12.1411 15.7028 15.7028 15.7055 15.7055 k = 0.1922 0.4914 0.7355 ( 2342 PWs) bands (ev): -28.0549 -28.0549 -28.0549 -28.0549 -9.6794 -9.6794 -9.6671 -9.6671 -9.3033 -9.3033 -9.2679 -9.2679 -9.1397 -9.1397 -9.1169 -9.1169 3.4174 3.4174 3.4192 3.4192 8.7449 8.7449 8.7611 8.7611 9.6519 9.6519 9.6534 9.6534 12.0957 12.0957 12.1100 12.1100 15.6855 15.6855 15.6883 15.6883 k = 0.1862 0.4760 0.7355 ( 2346 PWs) bands (ev): -28.0552 -28.0552 -28.0552 -28.0552 -9.6753 -9.6753 -9.6650 -9.6650 -9.2978 -9.2978 -9.2720 -9.2720 -9.1367 -9.1367 -9.1216 -9.1216 3.4071 3.4071 3.4084 3.4084 8.7646 8.7646 8.7808 8.7808 9.6680 9.6680 9.6697 9.6697 12.0619 12.0619 12.0764 12.0764 15.6743 15.6743 15.6771 15.6771 k = 0.1801 0.4606 0.7355 ( 2346 PWs) bands (ev): -28.0555 -28.0555 -28.0555 -28.0555 -9.6710 -9.6710 -9.6627 -9.6627 -9.2923 -9.2923 -9.2760 -9.2760 -9.1337 -9.1337 -9.1261 -9.1261 3.3967 3.3967 3.3977 3.3977 8.7829 8.7829 8.7990 8.7990 9.6867 9.6867 9.6886 9.6886 12.0261 12.0261 12.0407 12.0407 15.6689 15.6689 15.6720 15.6720 k = 0.1741 0.4453 0.7355 ( 2342 PWs) bands (ev): -28.0558 -28.0558 -28.0558 -28.0558 -9.6666 -9.6666 -9.6603 -9.6603 -9.2869 -9.2869 -9.2800 -9.2800 -9.1306 -9.1306 -9.1305 -9.1305 3.3863 3.3863 3.3869 3.3869 8.7997 8.7997 8.8158 8.8158 9.7080 9.7080 9.7100 9.7100 11.9885 11.9885 12.0032 12.0032 15.6695 15.6695 15.6728 15.6728 k = 0.1681 0.4299 0.7355 ( 2342 PWs) bands (ev): -28.0562 -28.0562 -28.0562 -28.0562 -9.6621 -9.6621 -9.6578 -9.6578 -9.2838 -9.2838 -9.2815 -9.2815 -9.1348 -9.1348 -9.1276 -9.1276 3.3759 3.3759 3.3762 3.3762 8.8151 8.8151 8.8310 8.8310 9.7316 9.7316 9.7338 9.7338 11.9495 11.9495 11.9642 11.9642 15.6755 15.6755 15.6792 15.6792 k = 0.1621 0.4146 0.7355 ( 2350 PWs) bands (ev): -28.0565 -28.0565 -28.0565 -28.0565 -9.6576 -9.6576 -9.6552 -9.6552 -9.2875 -9.2875 -9.2762 -9.2762 -9.1390 -9.1390 -9.1246 -9.1246 3.3655 3.3655 3.3655 3.3655 8.8290 8.8290 8.8446 8.8446 9.7575 9.7575 9.7597 9.7597 11.9094 11.9094 11.9241 11.9241 15.6868 15.6868 15.6908 15.6908 k = 0.1561 0.3992 0.7355 ( 2346 PWs) bands (ev): -28.0569 -28.0569 -28.0569 -28.0569 -9.6530 -9.6530 -9.6526 -9.6526 -9.2909 -9.2909 -9.2709 -9.2709 -9.1430 -9.1430 -9.1218 -9.1218 3.3549 3.3549 3.3553 3.3553 8.8414 8.8414 8.8568 8.8568 9.7856 9.7856 9.7878 9.7878 11.8686 11.8686 11.8832 11.8832 15.7028 15.7028 15.7073 15.7073 k = 0.1501 0.3839 0.7355 ( 2342 PWs) bands (ev): -28.0572 -28.0572 -28.0572 -28.0572 -9.6498 -9.6498 -9.6485 -9.6485 -9.2940 -9.2940 -9.2656 -9.2656 -9.1469 -9.1469 -9.1191 -9.1191 3.3445 3.3445 3.3451 3.3451 8.8525 8.8525 8.8676 8.8676 9.8155 9.8155 9.8177 9.8177 11.8276 11.8276 11.8420 11.8420 15.7231 15.7231 15.7280 15.7280 k = 0.1441 0.3685 0.7355 ( 2346 PWs) bands (ev): -28.0576 -28.0576 -28.0576 -28.0576 -9.6471 -9.6471 -9.6440 -9.6440 -9.2969 -9.2969 -9.2605 -9.2605 -9.1507 -9.1507 -9.1166 -9.1166 3.3342 3.3342 3.3350 3.3350 8.8623 8.8623 8.8769 8.8769 9.8471 9.8471 9.8492 9.8492 11.7866 11.7866 11.8007 11.8007 15.7470 15.7470 15.7525 15.7525 k = 0.1381 0.3532 0.7355 ( 2338 PWs) bands (ev): -28.0580 -28.0580 -28.0580 -28.0580 -9.6444 -9.6444 -9.6396 -9.6396 -9.2993 -9.2993 -9.2552 -9.2552 -9.1544 -9.1544 -9.1142 -9.1142 3.3240 3.3240 3.3251 3.3251 8.8707 8.8707 8.8849 8.8849 9.8801 9.8801 9.8823 9.8823 11.7460 11.7460 11.7599 11.7599 15.7741 15.7741 15.7802 15.7802 k = 0.1321 0.3378 0.7355 ( 2342 PWs) bands (ev): -28.0584 -28.0584 -28.0584 -28.0584 -9.6417 -9.6417 -9.6354 -9.6354 -9.3014 -9.3014 -9.2501 -9.2501 -9.1580 -9.1580 -9.1120 -9.1120 3.3140 3.3140 3.3153 3.3153 8.8779 8.8779 8.8916 8.8916 9.9145 9.9145 9.9165 9.9165 11.7062 11.7062 11.7198 11.7198 15.8038 15.8038 15.8104 15.8104 k = 0.1261 0.3225 0.7355 ( 2340 PWs) bands (ev): -28.0588 -28.0588 -28.0588 -28.0588 -9.6391 -9.6391 -9.6313 -9.6313 -9.3031 -9.3031 -9.2450 -9.2450 -9.1614 -9.1614 -9.1100 -9.1100 3.3042 3.3042 3.3057 3.3057 8.8840 8.8840 8.8972 8.8972 9.9498 9.9498 9.9518 9.9518 11.6674 11.6674 11.6806 11.6806 15.8355 15.8355 15.8427 15.8427 k = 0.1201 0.3071 0.7355 ( 2340 PWs) bands (ev): -28.0592 -28.0592 -28.0592 -28.0592 -9.6365 -9.6365 -9.6275 -9.6275 -9.3043 -9.3043 -9.2399 -9.2399 -9.1647 -9.1647 -9.1083 -9.1083 3.2947 3.2947 3.2963 3.2963 8.8890 8.8890 8.9016 8.9016 9.9860 9.9860 9.9878 9.9878 11.6300 11.6300 11.6427 11.6427 15.8686 15.8686 15.8765 15.8765 k = 0.1141 0.2917 0.7355 ( 2344 PWs) bands (ev): -28.0596 -28.0596 -28.0596 -28.0596 -9.6340 -9.6340 -9.6239 -9.6239 -9.3052 -9.3052 -9.2349 -9.2349 -9.1680 -9.1680 -9.1069 -9.1069 3.2854 3.2854 3.2872 3.2872 8.8930 8.8930 8.9050 8.9050 10.0226 10.0226 10.0244 10.0244 11.5940 11.5940 11.6063 11.6063 15.9026 15.9026 15.9111 15.9111 k = 0.1081 0.2764 0.7355 ( 2340 PWs) bands (ev): -28.0600 -28.0600 -28.0600 -28.0600 -9.6316 -9.6316 -9.6205 -9.6205 -9.3055 -9.3055 -9.2300 -9.2300 -9.1710 -9.1710 -9.1056 -9.1056 3.2764 3.2764 3.2783 3.2783 8.8960 8.8960 8.9075 8.9075 10.0596 10.0596 10.0612 10.0612 11.5598 11.5598 11.5715 11.5715 15.9370 15.9370 15.9461 15.9461 k = 0.1021 0.2610 0.7355 ( 2348 PWs) bands (ev): -28.0604 -28.0604 -28.0604 -28.0604 -9.6293 -9.6293 -9.6174 -9.6174 -9.3054 -9.3054 -9.2253 -9.2253 -9.1739 -9.1739 -9.1046 -9.1046 3.2677 3.2677 3.2696 3.2696 8.8982 8.8982 8.9090 8.9090 10.0967 10.0967 10.0982 10.0982 11.5275 11.5275 11.5386 11.5386 15.9713 15.9713 15.9810 15.9810 k = 0.0961 0.2457 0.7355 ( 2344 PWs) bands (ev): -28.0607 -28.0607 -28.0607 -28.0607 -9.6270 -9.6270 -9.6146 -9.6146 -9.3048 -9.3048 -9.2208 -9.2208 -9.1764 -9.1764 -9.1039 -9.1039 3.2593 3.2593 3.2613 3.2613 8.8996 8.8996 8.9098 8.9098 10.1335 10.1335 10.1349 10.1349 11.4971 11.4971 11.5077 11.5077 16.0051 16.0051 16.0154 16.0154 k = 0.0901 0.2303 0.7355 ( 2344 PWs) bands (ev): -28.0611 -28.0611 -28.0611 -28.0611 -9.6249 -9.6249 -9.6121 -9.6121 -9.3037 -9.3037 -9.2168 -9.2168 -9.1785 -9.1785 -9.1035 -9.1035 3.2513 3.2513 3.2533 3.2533 8.9003 8.9003 8.9099 8.9099 10.1699 10.1699 10.1712 10.1712 11.4688 11.4688 11.4788 11.4788 16.0381 16.0381 16.0489 16.0489 k = 0.0841 0.2150 0.7355 ( 2344 PWs) bands (ev): -28.0615 -28.0615 -28.0615 -28.0615 -9.6229 -9.6229 -9.6099 -9.6099 -9.3022 -9.3022 -9.2134 -9.2134 -9.1800 -9.1800 -9.1034 -9.1034 3.2436 3.2436 3.2457 3.2457 8.9005 8.9005 8.9093 8.9093 10.2056 10.2056 10.2068 10.2068 11.4426 11.4426 11.4519 11.4519 16.0701 16.0701 16.0812 16.0812 k = 0.0781 0.1996 0.7355 ( 2344 PWs) bands (ev): -28.0618 -28.0618 -28.0618 -28.0618 -9.6210 -9.6210 -9.6080 -9.6080 -9.3002 -9.3002 -9.2112 -9.2112 -9.1804 -9.1804 -9.1035 -9.1035 3.2364 3.2364 3.2384 3.2384 8.9001 8.9001 8.9083 8.9083 10.2404 10.2404 10.2415 10.2415 11.4185 11.4185 11.4272 11.4272 16.1009 16.1009 16.1124 16.1124 k = 0.0721 0.1843 0.7355 ( 2340 PWs) bands (ev): -28.0621 -28.0621 -28.0621 -28.0621 -9.6192 -9.6192 -9.6064 -9.6064 -9.2979 -9.2979 -9.2103 -9.2103 -9.1795 -9.1795 -9.1039 -9.1039 3.2296 3.2296 3.2316 3.2316 8.8992 8.8992 8.9068 8.9068 10.2740 10.2740 10.2750 10.2750 11.3966 11.3966 11.4047 11.4047 16.1304 16.1304 16.1421 16.1421 k = 0.0661 0.1689 0.7355 ( 2340 PWs) bands (ev): -28.0624 -28.0624 -28.0624 -28.0624 -9.6175 -9.6175 -9.6051 -9.6051 -9.2951 -9.2951 -9.2108 -9.2108 -9.1774 -9.1774 -9.1046 -9.1046 3.2232 3.2232 3.2251 3.2251 8.8981 8.8981 8.9049 8.9049 10.3061 10.3061 10.3070 10.3070 11.3768 11.3768 11.3842 11.3842 16.1587 16.1587 16.1706 16.1706 k = 0.0600 0.1535 0.7355 ( 2336 PWs) bands (ev): -28.0627 -28.0627 -28.0627 -28.0627 -9.6159 -9.6159 -9.6040 -9.6040 -9.2921 -9.2921 -9.2124 -9.2124 -9.1741 -9.1741 -9.1056 -9.1056 3.2173 3.2173 3.2191 3.2191 8.8966 8.8966 8.9029 8.9029 10.3365 10.3365 10.3373 10.3373 11.3590 11.3590 11.3658 11.3658 16.1859 16.1859 16.1980 16.1980 k = 0.0540 0.1382 0.7355 ( 2332 PWs) bands (ev): -28.0629 -28.0629 -28.0629 -28.0629 -9.6144 -9.6144 -9.6032 -9.6032 -9.2886 -9.2886 -9.2149 -9.2149 -9.1702 -9.1702 -9.1069 -9.1069 3.2120 3.2120 3.2136 3.2136 8.8950 8.8950 8.9006 8.9006 10.3650 10.3650 10.3657 10.3657 11.3433 11.3433 11.3493 11.3493 16.2123 16.2123 16.2244 16.2244 k = 0.0480 0.1228 0.7355 ( 2328 PWs) bands (ev): -28.0632 -28.0632 -28.0632 -28.0632 -9.6130 -9.6130 -9.6027 -9.6027 -9.2850 -9.2850 -9.2179 -9.2179 -9.1659 -9.1659 -9.1085 -9.1085 3.2071 3.2071 3.2087 3.2087 8.8934 8.8934 8.8983 8.8983 10.3913 10.3913 10.3919 10.3919 11.3295 11.3295 11.3349 11.3349 16.2382 16.2382 16.2501 16.2501 k = 0.0420 0.1075 0.7355 ( 2328 PWs) bands (ev): -28.0634 -28.0634 -28.0634 -28.0634 -9.6117 -9.6117 -9.6024 -9.6024 -9.2811 -9.2811 -9.2213 -9.2213 -9.1615 -9.1615 -9.1104 -9.1104 3.2028 3.2028 3.2042 3.2042 8.8917 8.8917 8.8960 8.8960 10.4151 10.4151 10.4156 10.4156 11.3175 11.3175 11.3223 11.3223 16.2637 16.2637 16.2756 16.2756 k = 0.0360 0.0921 0.7355 ( 2334 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.6104 -9.6104 -9.6023 -9.6023 -9.2770 -9.2770 -9.2250 -9.2250 -9.1569 -9.1569 -9.1126 -9.1126 3.1990 3.1990 3.2002 3.2002 8.8902 8.8902 8.8938 8.8938 10.4362 10.4362 10.4367 10.4367 11.3074 11.3074 11.3115 11.3115 16.2894 16.2894 16.3010 16.3010 k = 0.0300 0.0768 0.7355 ( 2334 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.6093 -9.6093 -9.6023 -9.6023 -9.2728 -9.2728 -9.2289 -9.2289 -9.1524 -9.1524 -9.1151 -9.1151 3.1958 3.1958 3.1969 3.1969 8.8888 8.8888 8.8918 8.8918 10.4545 10.4545 10.4549 10.4549 11.2991 11.2991 11.3024 11.3024 16.3155 16.3155 16.3268 16.3268 k = 0.0240 0.0614 0.7355 ( 2330 PWs) bands (ev): -28.0639 -28.0639 -28.0639 -28.0639 -9.6082 -9.6082 -9.6025 -9.6025 -9.2684 -9.2684 -9.2330 -9.2330 -9.1479 -9.1479 -9.1178 -9.1178 3.1932 3.1932 3.1940 3.1940 8.8876 8.8876 8.8900 8.8900 10.4697 10.4697 10.4700 10.4700 11.2924 11.2924 11.2951 11.2951 16.3424 16.3424 16.3535 16.3535 k = 0.0180 0.0461 0.7355 ( 2322 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6071 -9.6071 -9.6028 -9.6028 -9.2639 -9.2639 -9.2372 -9.2372 -9.1434 -9.1434 -9.1207 -9.1207 3.1912 3.1912 3.1918 3.1918 8.8867 8.8867 8.8885 8.8885 10.4817 10.4817 10.4820 10.4820 11.2873 11.2873 11.2893 11.2893 16.3704 16.3704 16.3811 16.3811 k = 0.0120 0.0307 0.7355 ( 2334 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6063 -9.6063 -9.6034 -9.6034 -9.2595 -9.2595 -9.2415 -9.2415 -9.1392 -9.1392 -9.1240 -9.1240 3.1898 3.1898 3.1902 3.1902 8.8861 8.8861 8.8873 8.8873 10.4904 10.4904 10.4906 10.4906 11.2838 11.2838 11.2852 11.2852 16.3997 16.3997 16.4098 16.4098 k = 0.0060 0.0154 0.7355 ( 2338 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6054 -9.6054 -9.6040 -9.6040 -9.2550 -9.2550 -9.2460 -9.2460 -9.1351 -9.1351 -9.1275 -9.1275 3.1889 3.1889 3.1892 3.1892 8.8858 8.8858 8.8864 8.8864 10.4957 10.4957 10.4958 10.4958 11.2819 11.2819 11.2825 11.2825 16.4298 16.4298 16.4389 16.4389 k = 0.0000 0.0000 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6047 -9.6047 -9.6047 -9.6047 -9.2505 -9.2505 -9.2505 -9.2505 -9.1312 -9.1312 -9.1312 -9.1312 3.1887 3.1887 3.1887 3.1887 8.8859 8.8859 8.8859 8.8859 10.4975 10.4975 10.4975 10.4975 11.2815 11.2815 11.2815 11.2815 16.4544 16.4544 16.4544 16.4544 k = 0.0000 0.0000 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6047 -9.6047 -9.6047 -9.6047 -9.2505 -9.2505 -9.2505 -9.2505 -9.1312 -9.1312 -9.1312 -9.1312 3.1887 3.1887 3.1887 3.1887 8.8859 8.8859 8.8859 8.8859 10.4975 10.4975 10.4975 10.4975 11.2815 11.2815 11.2815 11.2815 16.4544 16.4544 16.4544 16.4545 k = 0.0000 0.0000 0.7192 ( 2342 PWs) bands (ev): -28.0666 -28.0666 -28.0616 -28.0616 -9.6095 -9.6095 -9.5995 -9.5995 -9.2549 -9.2549 -9.2461 -9.2461 -9.1360 -9.1360 -9.1262 -9.1262 3.0751 3.0751 3.3040 3.3040 8.7939 8.7939 8.9786 8.9786 10.4542 10.4542 10.5428 10.5428 11.2214 11.2214 11.3432 11.3432 16.4000 16.4000 16.4602 16.4602 k = 0.0000 0.0000 0.7029 ( 2334 PWs) bands (ev): -28.0692 -28.0692 -28.0592 -28.0592 -9.6140 -9.6140 -9.5940 -9.5940 -9.2594 -9.2594 -9.2418 -9.2418 -9.1403 -9.1403 -9.1210 -9.1210 2.9631 2.9631 3.4209 3.4209 8.7029 8.7029 9.0715 9.0715 10.4130 10.4130 10.5902 10.5902 11.1633 11.1633 11.4063 11.4063 16.3450 16.3451 16.4193 16.4193 k = 0.0000 0.0000 0.6865 ( 2330 PWs) bands (ev): -28.0718 -28.0718 -28.0568 -28.0568 -9.6182 -9.6182 -9.5882 -9.5882 -9.2638 -9.2638 -9.2378 -9.2378 -9.1442 -9.1442 -9.1155 -9.1155 2.8528 2.8528 3.5392 3.5392 8.6131 8.6131 9.1641 9.1641 10.3737 10.3737 10.6397 10.6397 11.1076 11.1076 11.4705 11.4705 16.2905 16.2905 16.3648 16.3648 k = 0.0000 0.0000 0.6702 ( 2330 PWs) bands (ev): -28.0745 -28.0745 -28.0545 -28.0545 -9.6221 -9.6221 -9.5821 -9.5821 -9.2681 -9.2681 -9.2342 -9.2342 -9.1475 -9.1475 -9.1100 -9.1100 2.7444 2.7444 3.6588 3.6588 8.5249 8.5249 9.2560 9.2560 10.3364 10.3364 10.6914 10.6914 11.0548 11.0548 11.5356 11.5356 16.2369 16.2369 16.2981 16.2981 k = 0.0000 0.0000 0.6538 ( 2338 PWs) bands (ev): -28.0772 -28.0772 -28.0523 -28.0523 -9.6257 -9.6257 -9.5757 -9.5757 -9.2723 -9.2723 -9.2311 -9.2311 -9.1501 -9.1501 -9.1045 -9.1045 2.6378 2.6378 3.7797 3.7797 8.4384 8.4384 9.3462 9.3462 10.3009 10.3009 10.7453 10.7453 11.0056 11.0056 11.6014 11.6014 16.1843 16.1843 16.2208 16.2208 k = 0.0000 0.0000 0.6375 ( 2338 PWs) bands (ev): -28.0800 -28.0800 -28.0501 -28.0501 -9.6291 -9.6291 -9.5691 -9.5691 -9.2762 -9.2762 -9.2287 -9.2287 -9.1517 -9.1517 -9.0988 -9.0988 2.5332 2.5332 3.9018 3.9018 8.3538 8.3538 9.4340 9.4340 10.2672 10.2672 10.8014 10.8014 10.9608 10.9608 11.6677 11.6677 16.1301 16.1301 16.1376 16.1376 k = 0.0000 0.0000 0.6211 ( 2342 PWs) bands (ev): -28.0827 -28.0827 -28.0480 -28.0480 -9.6322 -9.6322 -9.5621 -9.5621 -9.2801 -9.2801 -9.2272 -9.2272 -9.1522 -9.1522 -9.0931 -9.0931 2.4305 2.4305 4.0248 4.0248 8.2715 8.2715 9.5180 9.5180 10.2354 10.2354 10.8596 10.8596 10.9218 10.9218 11.7344 11.7344 16.0393 16.0393 16.0851 16.0851 k = 0.0000 0.0000 0.6048 ( 2340 PWs) bands (ev): -28.0855 -28.0855 -28.0459 -28.0459 -9.6351 -9.6351 -9.5549 -9.5549 -9.2836 -9.2836 -9.2265 -9.2265 -9.1516 -9.1516 -9.0874 -9.0874 2.3298 2.3298 4.1486 4.1486 8.1916 8.1916 9.5968 9.5968 10.2052 10.2052 10.8893 10.8893 10.9206 10.9206 11.8011 11.8011 15.9392 15.9392 16.0378 16.0378 k = 0.0000 0.0000 0.5884 ( 2340 PWs) bands (ev): -28.0883 -28.0883 -28.0440 -28.0440 -9.6379 -9.6379 -9.5475 -9.5475 -9.2869 -9.2869 -9.2268 -9.2268 -9.1497 -9.1497 -9.0817 -9.0817 2.2311 2.2311 4.2731 4.2731 8.1144 8.1144 9.6683 9.6683 10.1767 10.1767 10.8665 10.8665 10.9832 10.9832 11.8678 11.8678 15.8343 15.8343 15.9927 15.9927 k = 0.0000 0.0000 0.5721 ( 2344 PWs) bands (ev): -28.0912 -28.0912 -28.0421 -28.0421 -9.6405 -9.6405 -9.5399 -9.5399 -9.2900 -9.2900 -9.2279 -9.2279 -9.1468 -9.1468 -9.0760 -9.0760 2.1345 2.1345 4.3980 4.3980 8.0401 8.0401 9.7304 9.7304 10.1498 10.1498 10.8544 10.8544 11.0483 11.0483 11.9341 11.9341 15.7261 15.7261 15.9498 15.9498 k = 0.0000 0.0000 0.5557 ( 2352 PWs) bands (ev): -28.0940 -28.0940 -28.0402 -28.0402 -9.6431 -9.6431 -9.5322 -9.5322 -9.2928 -9.2928 -9.2296 -9.2296 -9.1429 -9.1429 -9.0703 -9.0703 2.0401 2.0401 4.5230 4.5230 7.9691 7.9691 9.7808 9.7808 10.1245 10.1245 10.8555 10.8555 11.1157 11.1157 11.9996 11.9996 15.6156 15.6156 15.9094 15.9094 k = 0.0000 0.0000 0.5394 ( 2350 PWs) bands (ev): -28.0968 -28.0968 -28.0385 -28.0385 -9.6455 -9.6455 -9.5243 -9.5243 -9.2953 -9.2953 -9.2317 -9.2317 -9.1381 -9.1381 -9.0646 -9.0646 1.9478 1.9478 4.6478 4.6478 7.9017 7.9017 9.8179 9.8179 10.1007 10.1007 10.8714 10.8714 11.1853 11.1853 12.0641 12.0641 15.5040 15.5040 15.8713 15.8713 k = 0.0000 0.0000 0.5231 ( 2346 PWs) bands (ev): -28.0997 -28.0997 -28.0368 -28.0368 -9.6478 -9.6478 -9.5163 -9.5163 -9.2976 -9.2976 -9.2342 -9.2342 -9.1326 -9.1326 -9.0590 -9.0590 1.8578 1.8578 4.7720 4.7720 7.8384 7.8384 9.8406 9.8406 10.0783 10.0783 10.9029 10.9029 11.2573 11.2573 12.1272 12.1272 15.3925 15.3925 15.8357 15.8358 k = 0.0000 0.0000 0.5067 ( 2354 PWs) bands (ev): -28.1025 -28.1025 -28.0352 -28.0352 -9.6501 -9.6501 -9.5083 -9.5083 -9.2997 -9.2997 -9.2367 -9.2367 -9.1267 -9.1267 -9.0535 -9.0535 1.7699 1.7699 4.8952 4.8952 7.7795 7.7795 9.8495 9.8495 10.0572 10.0572 10.9494 10.9494 11.3315 11.3315 12.1882 12.1882 15.2819 15.2819 15.8026 15.8027 k = 0.0000 0.0000 0.4904 ( 2350 PWs) bands (ev): -28.1053 -28.1053 -28.0336 -28.0336 -9.6524 -9.6524 -9.5002 -9.5002 -9.3015 -9.3015 -9.2392 -9.2392 -9.1202 -9.1202 -9.0479 -9.0479 1.6844 1.6844 5.0168 5.0168 7.7257 7.7257 9.8462 9.8462 10.0374 10.0374 11.0092 11.0092 11.4080 11.4080 12.2468 12.2468 15.1735 15.1735 15.7721 15.8010 k = 0.0000 0.0000 0.4740 ( 2354 PWs) bands (ev): -28.1081 -28.1081 -28.0321 -28.0321 -9.6548 -9.6548 -9.4922 -9.4922 -9.3033 -9.3033 -9.2416 -9.2416 -9.1134 -9.1134 -9.0425 -9.0425 1.6011 1.6011 5.1361 5.1361 7.6777 7.6777 9.8326 9.8326 10.0189 10.0189 11.0800 11.0800 11.4867 11.4867 12.3020 12.3020 15.0682 15.0682 15.7413 15.7424 k = 0.0000 0.0000 0.4577 ( 2354 PWs) bands (ev): -28.1109 -28.1109 -28.0307 -28.0307 -9.6571 -9.6571 -9.4841 -9.4841 -9.3049 -9.3049 -9.2437 -9.2437 -9.1063 -9.1063 -9.0370 -9.0370 1.5202 1.5202 5.2523 5.2523 7.6362 7.6362 9.8111 9.8111 10.0015 10.0015 11.1595 11.1595 11.5676 11.5676 12.3533 12.3533 14.9670 14.9670 15.6858 15.6858 k = 0.0000 0.0000 0.4413 ( 2350 PWs) bands (ev): -28.1136 -28.1136 -28.0294 -28.0294 -9.6595 -9.6595 -9.4761 -9.4761 -9.3066 -9.3066 -9.2454 -9.2454 -9.0991 -9.0991 -9.0315 -9.0315 1.4417 1.4417 5.3644 5.3644 7.6022 7.6022 9.7836 9.7836 9.9853 9.9853 11.2455 11.2455 11.6507 11.6507 12.3994 12.3994 14.8713 14.8713 15.6294 15.6294 k = 0.0000 0.0000 0.4250 ( 2346 PWs) bands (ev): -28.1164 -28.1164 -28.0281 -28.0281 -9.6620 -9.6620 -9.4682 -9.4682 -9.3082 -9.3082 -9.2467 -9.2467 -9.0916 -9.0916 -9.0260 -9.0260 1.3657 1.3657 5.4712 5.4712 7.5770 7.5770 9.7519 9.7519 9.9701 9.9701 11.3360 11.3360 11.7360 11.7360 12.4394 12.4394 14.7823 14.7823 15.5761 15.5761 k = 0.0000 0.0000 0.4086 ( 2346 PWs) bands (ev): -28.1190 -28.1190 -28.0269 -28.0269 -9.6645 -9.6645 -9.4605 -9.4605 -9.3100 -9.3100 -9.2474 -9.2474 -9.0841 -9.0841 -9.0205 -9.0205 1.2920 1.2920 5.5715 5.5715 7.5617 7.5617 9.7170 9.7170 9.9560 9.9560 11.4296 11.4296 11.8234 11.8234 12.4720 12.4720 14.7013 14.7013 15.5265 15.5265 k = 0.0000 0.0000 0.3923 ( 2348 PWs) bands (ev): -28.1216 -28.1216 -28.0257 -28.0257 -9.6672 -9.6672 -9.4529 -9.4529 -9.3120 -9.3120 -9.2477 -9.2477 -9.0766 -9.0766 -9.0150 -9.0150 1.2209 1.2209 5.6638 5.6638 7.5577 7.5577 9.6802 9.6802 9.9428 9.9428 11.5249 11.5249 11.9128 11.9128 12.4957 12.4957 14.6296 14.6296 15.4808 15.4808 k = 0.0000 0.0000 0.3759 ( 2348 PWs) bands (ev): -28.1242 -28.1242 -28.0247 -28.0247 -9.6698 -9.6698 -9.4454 -9.4454 -9.3141 -9.3141 -9.2473 -9.2473 -9.0693 -9.0693 -9.0093 -9.0093 1.1523 1.1523 5.7467 5.7467 7.5664 7.5664 9.6421 9.6421 9.9306 9.9306 11.6210 11.6210 12.0042 12.0042 12.5094 12.5094 14.5685 14.5685 15.4395 15.4395 k = 0.0000 0.0000 0.3596 ( 2350 PWs) bands (ev): -28.1267 -28.1267 -28.0236 -28.0236 -9.6726 -9.6726 -9.4382 -9.4382 -9.3163 -9.3163 -9.2465 -9.2465 -9.0621 -9.0621 -9.0035 -9.0035 1.0863 1.0863 5.8191 5.8191 7.5889 7.5889 9.6033 9.6033 9.9192 9.9192 11.7169 11.7169 12.0975 12.0975 12.5118 12.5118 14.5191 14.5191 15.4028 15.4028 k = 0.0000 0.0000 0.3433 ( 2349 PWs) bands (ev): -28.1291 -28.1291 -28.0227 -28.0227 -9.6754 -9.6754 -9.4311 -9.4311 -9.3187 -9.3187 -9.2451 -9.2451 -9.0552 -9.0552 -8.9974 -8.9974 1.0229 1.0229 5.8800 5.8800 7.6261 7.6261 9.5645 9.5645 9.9086 9.9086 11.8117 11.8117 12.1926 12.1926 12.5020 12.5020 14.4823 14.4823 15.3711 15.3711 k = 0.0000 0.0000 0.3269 ( 2349 PWs) bands (ev): -28.1315 -28.1315 -28.0218 -28.0218 -9.6782 -9.6782 -9.4243 -9.4243 -9.3212 -9.3212 -9.2433 -9.2433 -9.0487 -9.0487 -8.9911 -8.9911 0.9621 0.9621 5.9292 5.9292 7.6782 7.6782 9.5258 9.5258 9.8988 9.8988 11.9049 11.9049 12.2895 12.2895 12.4794 12.4794 14.4583 14.4583 15.3447 15.3447 k = 0.0000 0.0000 0.3106 ( 2341 PWs) bands (ev): -28.1338 -28.1338 -28.0209 -28.0209 -9.6810 -9.6810 -9.4177 -9.4177 -9.3237 -9.3237 -9.2410 -9.2410 -9.0425 -9.0425 -8.9846 -8.9846 0.9040 0.9040 5.9670 5.9670 7.7449 7.7449 9.4877 9.4877 9.8898 9.8898 11.9956 11.9956 12.3879 12.3879 12.4442 12.4442 14.4470 14.4470 15.3237 15.3237 k = 0.0000 0.0000 0.2942 ( 2345 PWs) bands (ev): -28.1360 -28.1360 -28.0202 -28.0202 -9.6839 -9.6839 -9.4115 -9.4115 -9.3263 -9.3263 -9.2384 -9.2384 -9.0369 -9.0369 -8.9779 -8.9779 0.8486 0.8486 5.9941 5.9941 7.8251 7.8251 9.4505 9.4505 9.8814 9.8814 12.0833 12.0833 12.3964 12.3964 12.4880 12.4880 14.4475 14.4475 15.3085 15.3085 k = 0.0000 0.0000 0.2779 ( 2329 PWs) bands (ev): -28.1381 -28.1381 -28.0194 -28.0194 -9.6867 -9.6867 -9.4055 -9.4055 -9.3288 -9.3288 -9.2355 -9.2355 -9.0318 -9.0318 -8.9708 -8.9708 0.7960 0.7960 6.0120 6.0120 7.9175 7.9175 9.4142 9.4142 9.8736 9.8736 12.1674 12.1674 12.3375 12.3375 12.5893 12.5893 14.4588 14.4588 15.2992 15.2992 k = 0.0000 0.0000 0.2615 ( 2325 PWs) bands (ev): -28.1402 -28.1402 -28.0187 -28.0187 -9.6894 -9.6894 -9.3998 -9.3998 -9.3313 -9.3313 -9.2324 -9.2324 -9.0272 -9.0272 -8.9636 -8.9636 0.7461 0.7461 6.0221 6.0221 8.0204 8.0204 9.3793 9.3793 9.8665 9.8665 12.2474 12.2474 12.2683 12.2683 12.6917 12.6917 14.4793 14.4793 15.2959 15.2959 k = 0.0000 0.0000 0.2452 ( 2329 PWs) bands (ev): -28.1421 -28.1421 -28.0181 -28.0181 -9.6922 -9.6922 -9.3946 -9.3946 -9.3338 -9.3338 -9.2292 -9.2292 -9.0231 -9.0231 -8.9564 -8.9564 0.6991 0.6991 6.0259 6.0259 8.1323 8.1323 9.3457 9.3457 9.8600 9.8600 12.1900 12.1900 12.3228 12.3228 12.7949 12.7949 14.5074 14.5074 15.2986 15.2986 k = 0.0000 0.0000 0.2288 ( 2333 PWs) bands (ev): -28.1439 -28.1439 -28.0176 -28.0176 -9.6948 -9.6948 -9.3897 -9.3897 -9.3362 -9.3362 -9.2259 -9.2259 -9.0195 -9.0195 -8.9491 -8.9491 0.6549 0.6549 6.0248 6.0248 8.2516 8.2516 9.3137 9.3137 9.8540 9.8540 12.1038 12.1038 12.3933 12.3933 12.8987 12.8987 14.5415 14.5415 15.3072 15.3072 k = 0.0000 0.0000 0.2125 ( 2321 PWs) bands (ev): -28.1456 -28.1456 -28.0170 -28.0170 -9.6973 -9.6973 -9.3851 -9.3851 -9.3384 -9.3384 -9.2224 -9.2224 -9.0163 -9.0163 -8.9419 -8.9419 0.6136 0.6136 6.0200 6.0200 8.3768 8.3768 9.2834 9.2834 9.8485 9.8485 12.0109 12.0109 12.4585 12.4585 13.0029 13.0029 14.5803 14.5803 15.3214 15.3214 k = 0.0000 0.0000 0.1961 ( 2321 PWs) bands (ev): -28.1473 -28.1473 -28.0165 -28.0165 -9.6998 -9.6998 -9.3810 -9.3810 -9.3405 -9.3405 -9.2190 -9.2190 -9.0135 -9.0135 -8.9348 -8.9348 0.5752 0.5752 6.0127 6.0127 8.5067 8.5067 9.2548 9.2548 9.8435 9.8435 11.9121 11.9121 12.5182 12.5182 13.1069 13.1069 14.6221 14.6221 15.3409 15.3409 k = 0.0000 0.0000 0.1798 ( 2323 PWs) bands (ev): -28.1488 -28.1488 -28.0161 -28.0161 -9.7021 -9.7021 -9.3773 -9.3773 -9.3424 -9.3424 -9.2157 -9.2157 -9.0111 -9.0111 -8.9281 -8.9281 0.5398 0.5398 6.0037 6.0037 8.6401 8.6401 9.2282 9.2282 9.8390 9.8390 11.8085 11.8085 12.5723 12.5723 13.2103 13.2103 14.6657 14.6657 15.3651 15.3651 k = 0.0000 0.0000 0.1635 ( 2323 PWs) bands (ev): -28.1501 -28.1501 -28.0157 -28.0157 -9.7043 -9.7043 -9.3740 -9.3740 -9.3441 -9.3441 -9.2124 -9.2124 -9.0090 -9.0090 -8.9216 -8.9216 0.5074 0.5074 5.9937 5.9937 8.7759 8.7759 9.2037 9.2037 9.8349 9.8349 11.7008 11.7008 12.6208 12.6208 13.3124 13.3124 14.7100 14.7100 15.3933 15.3933 k = 0.0000 0.0000 0.1471 ( 2321 PWs) bands (ev): -28.1514 -28.1514 -28.0154 -28.0154 -9.7063 -9.7063 -9.3712 -9.3712 -9.3455 -9.3455 -9.2092 -9.2092 -9.0072 -9.0072 -8.9155 -8.9155 0.4779 0.4779 5.9833 5.9833 8.9131 8.9131 9.1812 9.1812 9.8313 9.8313 11.5898 11.5898 12.6638 12.6638 13.4125 13.4125 14.7539 14.7539 15.4246 15.4246 k = 0.0000 0.0000 0.1308 ( 2327 PWs) bands (ev): -28.1526 -28.1526 -28.0151 -28.0151 -9.7082 -9.7082 -9.3689 -9.3689 -9.3466 -9.3466 -9.2064 -9.2064 -9.0057 -9.0057 -8.9100 -8.9100 0.4515 0.4515 5.9730 5.9730 9.0507 9.0507 9.1608 9.1608 9.8281 9.8281 11.4763 11.4763 12.7013 12.7013 13.5097 13.5097 14.7963 14.7963 15.4580 15.4580 k = 0.0000 0.0000 0.1144 ( 2327 PWs) bands (ev): -28.1536 -28.1536 -28.0148 -28.0148 -9.7098 -9.7098 -9.3670 -9.3670 -9.3474 -9.3474 -9.2036 -9.2036 -9.0044 -9.0044 -8.9049 -8.9049 0.4281 0.4281 5.9632 5.9632 9.1426 9.1426 9.1876 9.1876 9.8253 9.8253 11.3612 11.3612 12.7336 12.7336 13.6027 13.6027 14.8364 14.8364 15.4923 15.4923 k = 0.0000 0.0000 0.0981 ( 2327 PWs) bands (ev): -28.1544 -28.1544 -28.0146 -28.0146 -9.7113 -9.7113 -9.3657 -9.3657 -9.3479 -9.3479 -9.2012 -9.2012 -9.0033 -9.0033 -8.9004 -8.9004 0.4078 0.4078 5.9542 5.9542 9.1269 9.1269 9.3223 9.3223 9.8229 9.8229 11.2459 11.2459 12.7610 12.7610 13.6901 13.6901 14.8733 14.8733 15.5261 15.5261 k = 0.0000 0.0000 0.0817 ( 2323 PWs) bands (ev): -28.1552 -28.1552 -28.0144 -28.0144 -9.7125 -9.7125 -9.3647 -9.3647 -9.3481 -9.3481 -9.1990 -9.1990 -9.0024 -9.0024 -8.8964 -8.8964 0.3906 0.3906 5.9462 5.9462 9.1134 9.1134 9.4531 9.4531 9.8209 9.8209 11.1318 11.1318 12.7836 12.7836 13.7701 13.7701 14.9061 14.9061 15.5582 15.5582 k = 0.0000 0.0000 0.0654 ( 2315 PWs) bands (ev): -28.1558 -28.1558 -28.0142 -28.0142 -9.7135 -9.7135 -9.3641 -9.3641 -9.3481 -9.3481 -9.1972 -9.1972 -9.0017 -9.0017 -8.8931 -8.8931 0.3765 0.3765 5.9394 5.9394 9.1024 9.1024 9.5771 9.5771 9.8193 9.8193 11.0216 11.0216 12.8017 12.8017 13.8406 13.8406 14.9342 14.9342 15.5870 15.5870 k = 0.0000 0.0000 0.0490 ( 2313 PWs) bands (ev): -28.1563 -28.1563 -28.0141 -28.0141 -9.7144 -9.7144 -9.3638 -9.3638 -9.3479 -9.3479 -9.1958 -9.1958 -9.0011 -9.0011 -8.8905 -8.8905 0.3655 0.3655 5.9339 5.9339 9.0937 9.0937 9.6901 9.6901 9.8180 9.8180 10.9195 10.9195 12.8155 12.8155 13.8993 13.8993 14.9569 14.9569 15.6112 15.6112 k = 0.0000 0.0000 0.0327 ( 2321 PWs) bands (ev): -28.1566 -28.1566 -28.0140 -28.0140 -9.7150 -9.7150 -9.3637 -9.3637 -9.3478 -9.3478 -9.1948 -9.1948 -9.0008 -9.0008 -8.8888 -8.8888 0.3577 0.3577 5.9300 5.9300 9.0876 9.0876 9.7849 9.7849 9.8172 9.8172 10.8325 10.8325 12.8252 12.8252 13.9435 13.9435 14.9735 14.9735 15.6295 15.6296 k = 0.0000 0.0000 0.0163 ( 2325 PWs) bands (ev): -28.1568 -28.1568 -28.0140 -28.0140 -9.7153 -9.7153 -9.3637 -9.3637 -9.3477 -9.3477 -9.1942 -9.1942 -9.0006 -9.0006 -8.8877 -8.8877 0.3529 0.3529 5.9276 5.9276 9.0838 9.0838 9.8165 9.8165 9.8509 9.8509 10.7715 10.7715 12.8310 12.8310 13.9711 13.9711 14.9837 14.9837 15.6410 15.6410 k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -28.1569 -28.1569 -28.0139 -28.0139 -9.7155 -9.7155 -9.3636 -9.3636 -9.3477 -9.3477 -9.1939 -9.1939 -9.0005 -9.0005 -8.8873 -8.8873 0.3514 0.3514 5.9268 5.9268 9.0826 9.0826 9.8163 9.8163 9.8749 9.8749 10.7490 10.7490 12.8329 12.8329 13.9806 13.9806 14.9871 14.9871 15.6449 15.6449 k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -28.1569 -28.1569 -28.0139 -28.0139 -9.7155 -9.7155 -9.3636 -9.3636 -9.3477 -9.3477 -9.1939 -9.1939 -9.0005 -9.0005 -8.8873 -8.8873 0.3514 0.3514 5.9268 5.9268 9.0826 9.0826 9.8163 9.8163 9.8749 9.8749 10.7490 10.7490 12.8329 12.8329 13.9806 13.9806 14.9871 14.9871 15.6449 15.6449 k =-0.0152 0.0059 0.0000 ( 2323 PWs) bands (ev): -28.1568 -28.1568 -28.0140 -28.0140 -9.7153 -9.7153 -9.3651 -9.3651 -9.3463 -9.3463 -9.1939 -9.1939 -9.0007 -9.0007 -8.8875 -8.8875 0.3525 0.3525 5.9243 5.9243 9.0849 9.0849 9.8169 9.8169 9.8744 9.8744 10.7506 10.7506 12.8293 12.8293 13.9815 13.9815 14.9863 14.9863 15.6491 15.6491 k =-0.0303 0.0119 0.0000 ( 2317 PWs) bands (ev): -28.1567 -28.1567 -28.0142 -28.0142 -9.7147 -9.7147 -9.3684 -9.3684 -9.3430 -9.3430 -9.1936 -9.1936 -9.0011 -9.0011 -8.8881 -8.8881 0.3557 0.3557 5.9169 5.9169 9.0916 9.0916 9.8187 9.8187 9.8729 9.8729 10.7553 10.7553 12.8184 12.8184 13.9843 13.9843 14.9841 14.9841 15.6594 15.6617 k =-0.0455 0.0178 0.0000 ( 2317 PWs) bands (ev): -28.1564 -28.1564 -28.0145 -28.0145 -9.7138 -9.7138 -9.3727 -9.3727 -9.3390 -9.3390 -9.1932 -9.1932 -9.0019 -9.0019 -8.8890 -8.8890 0.3611 0.3611 5.9047 5.9047 9.1028 9.1028 9.8216 9.8216 9.8704 9.8704 10.7630 10.7630 12.8008 12.8008 13.9888 13.9888 14.9807 14.9807 15.5936 15.5939 k =-0.0606 0.0237 0.0000 ( 2321 PWs) bands (ev): -28.1560 -28.1560 -28.0149 -28.0149 -9.7126 -9.7126 -9.3774 -9.3774 -9.3347 -9.3347 -9.1927 -9.1927 -9.0030 -9.0030 -8.8904 -8.8904 0.3685 0.3685 5.8878 5.8878 9.1182 9.1182 9.8257 9.8257 9.8670 9.8670 10.7735 10.7735 12.7768 12.7768 13.9953 13.9953 14.9765 14.9765 15.5529 15.5529 k =-0.0758 0.0296 0.0000 ( 2321 PWs) bands (ev): -28.1554 -28.1554 -28.0154 -28.0154 -9.7109 -9.7109 -9.3822 -9.3822 -9.3303 -9.3303 -9.1920 -9.1920 -9.0044 -9.0044 -8.8921 -8.8921 0.3780 0.3780 5.8665 5.8665 9.1376 9.1376 9.8309 9.8309 9.8627 9.8627 10.7867 10.7867 12.7472 12.7472 14.0035 14.0035 14.9722 14.9722 15.5106 15.5106 k =-0.0909 0.0356 0.0000 ( 2320 PWs) bands (ev): -28.1548 -28.1548 -28.0161 -28.0161 -9.7089 -9.7089 -9.3871 -9.3871 -9.3259 -9.3259 -9.1912 -9.1912 -9.0061 -9.0061 -8.8942 -8.8942 0.3896 0.3896 5.8411 5.8411 9.1608 9.1608 9.8371 9.8371 9.8574 9.8574 10.8023 10.8023 12.7128 12.7128 14.0136 14.0136 14.9681 14.9681 15.4680 15.4680 k =-0.1061 0.0415 0.0000 ( 2324 PWs) bands (ev): -28.1540 -28.1540 -28.0168 -28.0168 -9.7066 -9.7066 -9.3920 -9.3920 -9.3215 -9.3215 -9.1904 -9.1904 -9.0081 -9.0081 -8.8966 -8.8966 0.4030 0.4030 5.8119 5.8119 9.1875 9.1875 9.8444 9.8444 9.8514 9.8514 10.8200 10.8200 12.6746 12.6746 14.0254 14.0254 14.9647 14.9647 15.4257 15.4257 k =-0.1212 0.0474 0.0000 ( 2324 PWs) bands (ev): -28.1532 -28.1532 -28.0177 -28.0177 -9.7040 -9.7040 -9.3971 -9.3971 -9.3172 -9.3172 -9.1894 -9.1894 -9.0104 -9.0104 -8.8992 -8.8992 0.4182 0.4182 5.7794 5.7794 9.2175 9.2175 9.8446 9.8446 9.8527 9.8527 10.8394 10.8394 12.6333 12.6333 14.0389 14.0389 14.9624 14.9624 15.3841 15.3841 k =-0.1364 0.0533 0.0000 ( 2324 PWs) bands (ev): -28.1522 -28.1522 -28.0187 -28.0187 -9.7011 -9.7011 -9.4021 -9.4021 -9.3129 -9.3129 -9.1883 -9.1883 -9.0129 -9.0129 -8.9021 -8.9021 0.4352 0.4352 5.7438 5.7438 9.2503 9.2503 9.8372 9.8372 9.8620 9.8620 10.8601 10.8601 12.5901 12.5901 14.0541 14.0541 14.9615 14.9615 15.3433 15.3433 k =-0.1515 0.0593 0.0000 ( 2324 PWs) bands (ev): -28.1512 -28.1512 -28.0197 -28.0197 -9.6978 -9.6978 -9.4072 -9.4072 -9.3087 -9.3087 -9.1871 -9.1871 -9.0158 -9.0158 -8.9052 -8.9052 0.4538 0.4538 5.7055 5.7055 9.2856 9.2856 9.8291 9.8291 9.8721 9.8721 10.8817 10.8817 12.5456 12.5456 14.0708 14.0708 14.9622 14.9622 15.3037 15.3037 k =-0.1667 0.0652 0.0000 ( 2324 PWs) bands (ev): -28.1500 -28.1500 -28.0209 -28.0209 -9.6942 -9.6942 -9.4122 -9.4122 -9.3047 -9.3047 -9.1859 -9.1859 -9.0188 -9.0188 -8.9085 -8.9085 0.4738 0.4738 5.6651 5.6651 9.3232 9.3232 9.8205 9.8205 9.8830 9.8830 10.9036 10.9036 12.5008 12.5008 14.0892 14.0892 14.9646 14.9646 15.2653 15.2653 k =-0.1818 0.0711 0.0000 ( 2324 PWs) bands (ev): -28.1488 -28.1488 -28.0221 -28.0221 -9.6903 -9.6903 -9.4172 -9.4172 -9.3008 -9.3008 -9.1845 -9.1845 -9.0222 -9.0222 -8.9120 -8.9120 0.4952 0.4952 5.6228 5.6228 9.3626 9.3626 9.8115 9.8115 9.8946 9.8946 10.9254 10.9254 12.4563 12.4563 14.1090 14.1090 14.9688 14.9688 15.2281 15.2281 k =-0.1970 0.0770 0.0000 ( 2324 PWs) bands (ev): -28.1474 -28.1474 -28.0235 -28.0235 -9.6862 -9.6862 -9.4222 -9.4222 -9.2970 -9.2970 -9.1831 -9.1831 -9.0257 -9.0257 -8.9155 -8.9155 0.5177 0.5177 5.5791 5.5791 9.4035 9.4035 9.8022 9.8022 9.9069 9.9069 10.9466 10.9466 12.4127 12.4127 14.1303 14.1303 14.9749 14.9749 15.1923 15.1923 k =-0.2121 0.0830 0.0000 ( 2324 PWs) bands (ev): -28.1460 -28.1460 -28.0249 -28.0249 -9.6818 -9.6818 -9.4271 -9.4271 -9.2934 -9.2934 -9.1817 -9.1817 -9.0295 -9.0295 -8.9191 -8.9191 0.5413 0.5413 5.5344 5.5344 9.4457 9.4457 9.7926 9.7926 9.9196 9.9196 10.9668 10.9668 12.3705 12.3705 14.1529 14.1529 14.9827 14.9827 15.1580 15.1580 k =-0.2273 0.0889 0.0000 ( 2324 PWs) bands (ev): -28.1446 -28.1446 -28.0263 -28.0263 -9.6771 -9.6771 -9.4320 -9.4320 -9.2900 -9.2900 -9.1801 -9.1801 -9.0334 -9.0334 -8.9228 -8.9228 0.5656 0.5656 5.4891 5.4891 9.4887 9.4887 9.7829 9.7829 9.9329 9.9329 10.9856 10.9856 12.3299 12.3299 14.1768 14.1768 14.9923 14.9923 15.1252 15.1252 k =-0.2424 0.0948 0.0000 ( 2322 PWs) bands (ev): -28.1430 -28.1430 -28.0279 -28.0279 -9.6723 -9.6723 -9.4369 -9.4369 -9.2868 -9.2868 -9.1784 -9.1784 -9.0375 -9.0375 -8.9265 -8.9265 0.5906 0.5906 5.4435 5.4435 9.5322 9.5322 9.7731 9.7731 9.9464 9.9464 11.0028 11.0028 12.2912 12.2912 14.2018 14.2018 15.0035 15.0035 15.0939 15.0939 k =-0.2576 0.1007 0.0000 ( 2330 PWs) bands (ev): -28.1415 -28.1415 -28.0295 -28.0295 -9.6673 -9.6673 -9.4417 -9.4417 -9.2839 -9.2839 -9.1767 -9.1767 -9.0418 -9.0418 -8.9301 -8.9301 0.6160 0.6160 5.3981 5.3981 9.5758 9.5758 9.7633 9.7633 9.9602 9.9602 11.0183 11.0183 12.2542 12.2542 14.2280 14.2280 15.0162 15.0162 15.0643 15.0643 k =-0.2727 0.1067 0.0000 ( 2332 PWs) bands (ev): -28.1399 -28.1399 -28.0311 -28.0311 -9.6621 -9.6621 -9.4464 -9.4464 -9.2813 -9.2813 -9.1748 -9.1748 -9.0463 -9.0463 -8.9336 -8.9336 0.6416 0.6416 5.3532 5.3532 9.6191 9.6191 9.7538 9.7538 9.9740 9.9740 11.0323 11.0323 12.2188 12.2188 14.2552 14.2552 15.0299 15.0299 15.0366 15.0366 k =-0.2879 0.1126 0.0000 ( 2330 PWs) bands (ev): -28.1382 -28.1382 -28.0327 -28.0327 -9.6568 -9.6568 -9.4511 -9.4511 -9.2789 -9.2789 -9.1727 -9.1727 -9.0508 -9.0508 -8.9371 -8.9371 0.6672 0.6672 5.3091 5.3091 9.6615 9.6615 9.7446 9.7446 9.9878 9.9878 11.0448 11.0448 12.1846 12.1846 14.2832 14.2832 15.0097 15.0097 15.0456 15.0456 k =-0.3030 0.1185 0.0000 ( 2334 PWs) bands (ev): -28.1366 -28.1366 -28.0344 -28.0344 -9.6514 -9.6514 -9.4557 -9.4557 -9.2768 -9.2768 -9.1705 -9.1705 -9.0555 -9.0555 -8.9404 -8.9404 0.6925 0.6925 5.2662 5.2662 9.7018 9.7018 9.7369 9.7369 10.0015 10.0015 11.0562 11.0562 12.1511 12.1511 14.3120 14.3120 14.9851 14.9851 15.0616 15.0616 k =-0.3182 0.1244 0.0000 ( 2334 PWs) bands (ev): -28.1349 -28.1349 -28.0360 -28.0360 -9.6459 -9.6459 -9.4602 -9.4602 -9.2751 -9.2751 -9.1680 -9.1680 -9.0603 -9.0603 -8.9435 -8.9435 0.7172 0.7172 5.2249 5.2249 9.7218 9.7218 9.7485 9.7485 10.0148 10.0148 11.0670 11.0670 12.1180 12.1180 14.3415 14.3415 14.9622 14.9622 15.0783 15.0783 k =-0.3333 0.1304 0.0000 ( 2342 PWs) bands (ev): -28.1333 -28.1333 -28.0377 -28.0377 -9.6405 -9.6405 -9.4647 -9.4647 -9.2737 -9.2737 -9.1654 -9.1654 -9.0652 -9.0652 -8.9465 -8.9465 0.7412 0.7412 5.1854 5.1854 9.7157 9.7157 9.7846 9.7846 10.0278 10.0278 11.0778 11.0778 12.0848 12.0848 14.3715 14.3715 14.9410 14.9410 15.0954 15.0954 k =-0.3485 0.1363 0.0000 ( 2356 PWs) bands (ev): -28.1317 -28.1317 -28.0393 -28.0393 -9.6351 -9.6351 -9.4690 -9.4690 -9.2726 -9.2726 -9.1624 -9.1624 -9.0702 -9.0702 -8.9493 -8.9493 0.7642 0.7642 5.1481 5.1481 9.7082 9.7082 9.8205 9.8205 10.0401 10.0401 11.0889 11.0889 12.0512 12.0512 14.4019 14.4019 14.9215 14.9215 15.1126 15.1126 k =-0.3636 0.1422 0.0000 ( 2358 PWs) bands (ev): -28.1302 -28.1302 -28.0408 -28.0408 -9.6298 -9.6298 -9.4732 -9.4732 -9.2718 -9.2718 -9.1593 -9.1593 -9.0752 -9.0752 -8.9518 -8.9518 0.7860 0.7860 5.1133 5.1133 9.7009 9.7009 9.8540 9.8540 10.0517 10.0517 11.1011 11.1011 12.0170 12.0170 14.4325 14.4325 14.9039 14.9039 15.1295 15.1295 k =-0.3788 0.1481 0.0000 ( 2358 PWs) bands (ev): -28.1287 -28.1287 -28.0423 -28.0423 -9.6247 -9.6247 -9.4772 -9.4772 -9.2712 -9.2712 -9.1558 -9.1558 -9.0802 -9.0802 -8.9540 -8.9540 0.8062 0.8062 5.0812 5.0812 9.6942 9.6942 9.8846 9.8846 10.0626 10.0626 11.1144 11.1144 11.9823 11.9823 14.4632 14.4632 14.8881 14.8881 15.1460 15.1460 k =-0.3939 0.1541 0.0000 ( 2354 PWs) bands (ev): -28.1273 -28.1273 -28.0437 -28.0437 -9.6197 -9.6197 -9.4809 -9.4809 -9.2709 -9.2709 -9.1521 -9.1521 -9.0852 -9.0852 -8.9560 -8.9560 0.8247 0.8247 5.0523 5.0523 9.6882 9.6882 9.9119 9.9119 10.0725 10.0725 11.1291 11.1291 11.9474 11.9474 14.4936 14.4936 14.8741 14.8741 15.1615 15.1615 k =-0.4091 0.1600 0.0000 ( 2354 PWs) bands (ev): -28.1261 -28.1261 -28.0450 -28.0450 -9.6151 -9.6151 -9.4844 -9.4844 -9.2708 -9.2708 -9.1482 -9.1482 -9.0903 -9.0903 -8.9578 -8.9578 0.8413 0.8413 5.0266 5.0266 9.6828 9.6828 9.9358 9.9358 10.0813 10.0813 11.1451 11.1451 11.9130 11.9130 14.5235 14.5235 14.8620 14.8620 15.1751 15.1752 k =-0.4242 0.1659 0.0000 ( 2356 PWs) bands (ev): -28.1250 -28.1250 -28.0461 -28.0461 -9.6110 -9.6110 -9.4876 -9.4876 -9.2707 -9.2707 -9.1441 -9.1441 -9.0955 -9.0955 -8.9592 -8.9592 0.8557 0.8557 5.0044 5.0044 9.6782 9.6782 9.9561 9.9561 10.0889 10.0889 11.1618 11.1618 11.8799 11.8799 14.5522 14.5522 14.8517 14.8517 15.1372 15.1372 k =-0.4394 0.1718 0.0000 ( 2352 PWs) bands (ev): -28.1240 -28.1240 -28.0470 -28.0470 -9.6073 -9.6073 -9.4904 -9.4904 -9.2707 -9.2707 -9.1397 -9.1397 -9.1006 -9.1006 -8.9605 -8.9605 0.8677 0.8677 4.9860 4.9860 9.6743 9.6743 9.9727 9.9727 10.0953 10.0953 11.1784 11.1784 11.8493 11.8493 14.5790 14.5790 14.8433 14.8433 15.0960 15.0960 k =-0.4545 0.1778 0.0000 ( 2366 PWs) bands (ev): -28.1232 -28.1232 -28.0478 -28.0478 -9.6044 -9.6044 -9.4928 -9.4928 -9.2709 -9.2709 -9.1353 -9.1353 -9.1057 -9.1057 -8.9615 -8.9615 0.8772 0.8772 4.9715 4.9715 9.6713 9.6713 9.9855 9.9855 10.1004 10.1004 11.1937 11.1937 11.8228 11.8228 14.6029 14.6029 14.8367 14.8367 15.0609 15.0609 k =-0.4697 0.1837 0.0000 ( 2372 PWs) bands (ev): -28.1227 -28.1227 -28.0484 -28.0484 -9.6022 -9.6022 -9.4945 -9.4945 -9.2711 -9.2711 -9.1307 -9.1307 -9.1108 -9.1108 -8.9621 -8.9621 0.8841 0.8841 4.9611 4.9611 9.6691 9.6691 9.9946 9.9946 10.1040 10.1040 11.2063 11.2063 11.8021 11.8021 14.6222 14.6222 14.8320 14.8320 15.0336 15.0336 k =-0.4848 0.1896 0.0000 ( 2370 PWs) bands (ev): -28.1223 -28.1223 -28.0487 -28.0487 -9.6008 -9.6008 -9.4956 -9.4956 -9.2711 -9.2711 -9.1260 -9.1260 -9.1157 -9.1157 -8.9625 -8.9625 0.8883 0.8883 4.9547 4.9547 9.6678 9.6678 10.0001 10.0001 10.1062 10.1062 11.2146 11.2146 11.7888 11.7888 14.6350 14.6350 14.8292 14.8292 15.0160 15.0160 k =-0.5000 0.1955 0.0000 ( 2368 PWs) bands (ev): -28.1222 -28.1222 -28.0488 -28.0488 -9.6003 -9.6003 -9.4960 -9.4960 -9.2711 -9.2711 -9.1224 -9.1224 -9.1193 -9.1193 -8.9627 -8.9627 0.8897 0.8897 4.9526 4.9526 9.6674 9.6674 10.0020 10.0020 10.1070 10.1070 11.2176 11.2176 11.7842 11.7842 14.6395 14.6395 14.8282 14.8282 15.0099 15.0099 k =-0.5000 0.1955 0.0000 ( 2368 PWs) bands (ev): -28.1222 -28.1222 -28.0488 -28.0488 -9.6003 -9.6003 -9.4960 -9.4960 -9.2711 -9.2711 -9.1224 -9.1224 -9.1193 -9.1193 -8.9627 -8.9627 0.8897 0.8897 4.9526 4.9526 9.6674 9.6674 10.0020 10.0020 10.1070 10.1070 11.2176 11.2176 11.7842 11.7842 14.6395 14.6395 14.8282 14.8282 15.0099 15.0099 k =-0.4939 0.2110-0.0000 ( 2370 PWs) bands (ev): -28.1222 -28.1222 -28.0489 -28.0489 -9.6008 -9.6008 -9.4961 -9.4961 -9.2709 -9.2709 -9.1247 -9.1247 -9.1170 -9.1170 -8.9627 -8.9627 0.8904 0.8904 4.9544 4.9544 9.6668 9.6668 10.0025 10.0025 10.0972 10.0972 11.2257 11.2257 11.7845 11.7845 14.6396 14.6396 14.8295 14.8295 14.9990 14.9990 k =-0.4879 0.2265-0.0000 ( 2362 PWs) bands (ev): -28.1220 -28.1220 -28.0489 -28.0489 -9.6021 -9.6021 -9.4964 -9.4964 -9.2702 -9.2702 -9.1281 -9.1281 -9.1136 -9.1136 -8.9630 -8.9630 0.8926 0.8926 4.9597 4.9597 9.6649 9.6649 10.0039 10.0039 10.0689 10.0689 11.2494 11.2494 11.7854 11.7854 14.6398 14.6398 14.8334 14.8334 14.9674 14.9674 k =-0.4818 0.2420-0.0000 ( 2362 PWs) bands (ev): -28.1217 -28.1217 -28.0490 -28.0490 -9.6044 -9.6044 -9.4969 -9.4969 -9.2692 -9.2692 -9.1316 -9.1316 -9.1102 -9.1102 -8.9633 -8.9633 0.8962 0.8962 4.9686 4.9686 9.6618 9.6618 10.0021 10.0021 10.0285 10.0285 11.2863 11.2863 11.7869 11.7869 14.6402 14.6402 14.8399 14.8399 14.9172 14.9172 k =-0.4758 0.2574-0.0000 ( 2362 PWs) bands (ev): -28.1214 -28.1214 -28.0492 -28.0492 -9.6075 -9.6075 -9.4977 -9.4977 -9.2677 -9.2677 -9.1351 -9.1351 -9.1067 -9.1067 -8.9638 -8.9638 0.9012 0.9012 4.9810 4.9810 9.6576 9.6576 9.9586 9.9586 10.0174 10.0174 11.3334 11.3334 11.7887 11.7887 14.6410 14.6410 14.8484 14.8484 14.8522 14.8522 k =-0.4697 0.2729-0.0000 ( 2360 PWs) bands (ev): -28.1209 -28.1209 -28.0494 -28.0494 -9.6114 -9.6114 -9.4987 -9.4987 -9.2660 -9.2660 -9.1386 -9.1386 -9.1032 -9.1032 -8.9644 -8.9644 0.9076 0.9076 4.9969 4.9969 9.6522 9.6522 9.8894 9.8894 10.0223 10.0223 11.3881 11.3881 11.7906 11.7906 14.6423 14.6423 14.7739 14.7739 14.8606 14.8606 k =-0.4637 0.2884-0.0000 ( 2360 PWs) bands (ev): -28.1203 -28.1203 -28.0496 -28.0496 -9.6160 -9.6160 -9.5000 -9.5000 -9.2639 -9.2639 -9.1421 -9.1421 -9.0997 -9.0997 -8.9652 -8.9652 0.9153 0.9153 5.0163 5.0163 9.6457 9.6457 9.8106 9.8106 10.0296 10.0296 11.4479 11.4479 11.7924 11.7924 14.6444 14.6444 14.6873 14.6873 14.8747 14.8747 k =-0.4576 0.3038-0.0000 ( 2356 PWs) bands (ev): -28.1196 -28.1196 -28.0499 -28.0499 -9.6214 -9.6214 -9.5015 -9.5015 -9.2615 -9.2615 -9.1456 -9.1456 -9.0962 -9.0962 -8.9660 -8.9660 0.9244 0.9244 5.0391 5.0391 9.6381 9.6381 9.7250 9.7250 10.0385 10.0385 11.5110 11.5110 11.7937 11.7937 14.5944 14.5944 14.6478 14.6478 14.8912 14.8912 k =-0.4516 0.3193-0.0000 ( 2348 PWs) bands (ev): -28.1188 -28.1188 -28.0502 -28.0502 -9.6273 -9.6273 -9.5032 -9.5032 -9.2590 -9.2590 -9.1491 -9.1491 -9.0927 -9.0927 -8.9669 -8.9669 0.9348 0.9348 5.0652 5.0652 9.6289 9.6289 9.6349 9.6349 10.0488 10.0488 11.5760 11.5760 11.7939 11.7939 14.4981 14.4981 14.6522 14.6522 14.8650 14.8650 k =-0.4455 0.3348-0.0000 ( 2346 PWs) bands (ev): -28.1179 -28.1179 -28.0506 -28.0506 -9.6338 -9.6338 -9.5052 -9.5052 -9.2563 -9.2563 -9.1525 -9.1525 -9.0893 -9.0893 -8.9679 -8.9679 0.9464 0.9464 5.0947 5.0947 9.5393 9.5393 9.6202 9.6202 10.0604 10.0604 11.6417 11.6417 11.7927 11.7927 14.4004 14.4004 14.6582 14.6582 14.7901 14.7901 k =-0.4395 0.3503-0.0000 ( 2346 PWs) bands (ev): -28.1170 -28.1170 -28.0510 -28.0510 -9.6407 -9.6407 -9.5075 -9.5075 -9.2535 -9.2535 -9.1558 -9.1558 -9.0858 -9.0858 -8.9691 -8.9691 0.9592 0.9592 5.1275 5.1275 9.4415 9.4415 9.6099 9.6099 10.0732 10.0732 11.7073 11.7073 11.7892 11.7892 14.3031 14.3031 14.6645 14.6645 14.7145 14.7145 k =-0.4334 0.3657-0.0000 ( 2350 PWs) bands (ev): -28.1159 -28.1159 -28.0515 -28.0515 -9.6481 -9.6481 -9.5101 -9.5101 -9.2506 -9.2506 -9.1592 -9.1592 -9.0824 -9.0824 -8.9703 -8.9703 0.9732 0.9732 5.1635 5.1635 9.3415 9.3415 9.5989 9.5989 10.0872 10.0872 11.7717 11.7717 11.7834 11.7834 14.2081 14.2081 14.6286 14.6286 14.6820 14.6820 k =-0.4274 0.3812-0.0000 ( 2356 PWs) bands (ev): -28.1147 -28.1147 -28.0521 -28.0521 -9.6558 -9.6558 -9.5130 -9.5130 -9.2477 -9.2477 -9.1624 -9.1624 -9.0789 -9.0789 -8.9715 -8.9715 0.9882 0.9882 5.2026 5.2026 9.2398 9.2398 9.5873 9.5873 10.1023 10.1023 11.7725 11.7725 11.8363 11.8363 14.1170 14.1170 14.5504 14.5504 14.6939 14.6939 k =-0.4213 0.3967-0.0000 ( 2356 PWs) bands (ev): -28.1135 -28.1135 -28.0526 -28.0526 -9.6637 -9.6637 -9.5163 -9.5163 -9.2447 -9.2447 -9.1655 -9.1655 -9.0755 -9.0755 -8.9728 -8.9728 1.0043 1.0043 5.2447 5.2447 9.1369 9.1369 9.5751 9.5751 10.1184 10.1184 11.7578 11.7578 11.8986 11.8986 14.0311 14.0311 14.4704 14.4704 14.7106 14.7106 k =-0.4153 0.4121-0.0000 ( 2352 PWs) bands (ev): -28.1121 -28.1121 -28.0532 -28.0532 -9.6718 -9.6718 -9.5197 -9.5197 -9.2419 -9.2419 -9.1685 -9.1685 -9.0721 -9.0721 -8.9741 -8.9741 1.0212 1.0212 5.2898 5.2898 9.0333 9.0333 9.5625 9.5625 10.1354 10.1354 11.7377 11.7377 11.9592 11.9592 13.9519 13.9519 14.3906 14.3906 14.7312 14.7313 k =-0.4092 0.4276-0.0000 ( 2348 PWs) bands (ev): -28.1107 -28.1107 -28.0539 -28.0539 -9.6800 -9.6800 -9.5235 -9.5235 -9.2390 -9.2390 -9.1714 -9.1714 -9.0687 -9.0687 -8.9754 -8.9754 1.0391 1.0391 5.3378 5.3378 8.9293 8.9293 9.5495 9.5495 10.1533 10.1533 11.7112 11.7112 12.0178 12.0178 13.8805 13.8805 14.3114 14.3114 14.7559 14.7559 k =-0.4032 0.4431-0.0000 ( 2348 PWs) bands (ev): -28.1092 -28.1092 -28.0546 -28.0546 -9.6883 -9.6883 -9.5276 -9.5276 -9.2363 -9.2363 -9.1741 -9.1741 -9.0653 -9.0653 -8.9766 -8.9766 1.0576 1.0576 5.3885 5.3885 8.8254 8.8254 9.5363 9.5363 10.1719 10.1719 11.6778 11.6778 12.0744 12.0744 13.8177 13.8177 14.2333 14.2333 14.7849 14.7849 k =-0.3971 0.4586-0.0000 ( 2344 PWs) bands (ev): -28.1076 -28.1076 -28.0554 -28.0554 -9.6966 -9.6966 -9.5320 -9.5320 -9.2338 -9.2338 -9.1766 -9.1766 -9.0620 -9.0620 -8.9779 -8.9779 1.0769 1.0769 5.4419 5.4419 8.7217 8.7217 9.5230 9.5230 10.1912 10.1912 11.6368 11.6368 12.1288 12.1288 13.7642 13.7642 14.1566 14.1566 14.8184 14.8184 k =-0.3911 0.4740-0.0000 ( 2340 PWs) bands (ev): -28.1060 -28.1060 -28.0562 -28.0562 -9.7048 -9.7048 -9.5367 -9.5367 -9.2314 -9.2314 -9.1789 -9.1789 -9.0587 -9.0587 -8.9791 -8.9791 1.0967 1.0967 5.4978 5.4978 8.6186 8.6186 9.5096 9.5096 10.2111 10.2111 11.5881 11.5881 12.1812 12.1812 13.7202 13.7202 14.0816 14.0816 14.8565 14.8565 k =-0.3850 0.4895-0.0000 ( 2338 PWs) bands (ev): -28.1043 -28.1043 -28.0571 -28.0571 -9.7128 -9.7128 -9.5416 -9.5416 -9.2292 -9.2292 -9.1810 -9.1810 -9.0555 -9.0555 -8.9802 -8.9802 1.1170 1.1170 5.5561 5.5561 8.5163 8.5163 9.4964 9.4964 10.2313 10.2313 11.5317 11.5317 12.2314 12.2314 13.6855 13.6855 14.0084 14.0084 14.8983 14.8986 k =-0.3790 0.5050-0.0000 ( 2346 PWs) bands (ev): -28.1025 -28.1025 -28.0581 -28.0581 -9.7207 -9.7207 -9.5469 -9.5469 -9.2273 -9.2273 -9.1829 -9.1829 -9.0524 -9.0524 -8.9814 -8.9814 1.1377 1.1377 5.6166 5.6166 8.4152 8.4152 9.4833 9.4833 10.2519 10.2519 11.4679 11.4679 12.2798 12.2798 13.6597 13.6597 13.9374 13.9374 14.8913 14.8913 k =-0.3729 0.5204-0.0000 ( 2348 PWs) bands (ev): -28.1007 -28.1007 -28.0591 -28.0591 -9.7284 -9.7284 -9.5523 -9.5523 -9.2258 -9.2258 -9.1844 -9.1844 -9.0495 -9.0495 -8.9824 -8.9824 1.1586 1.1586 5.6793 5.6793 8.3154 8.3154 9.4704 9.4704 10.2726 10.2726 11.3972 11.3972 12.3264 12.3264 13.6416 13.6416 13.8686 13.8686 14.8538 14.8538 k =-0.3669 0.5359-0.0000 ( 2346 PWs) bands (ev): -28.0988 -28.0988 -28.0601 -28.0601 -9.7357 -9.7357 -9.5579 -9.5579 -9.2246 -9.2246 -9.1855 -9.1855 -9.0466 -9.0466 -8.9832 -8.9832 1.1796 1.1796 5.7440 5.7440 8.2172 8.2172 9.4580 9.4580 10.2934 10.2934 11.3204 11.3204 12.3715 12.3715 13.6302 13.6302 13.8022 13.8022 14.8201 14.8201 k =-0.3608 0.5514-0.0000 ( 2334 PWs) bands (ev): -28.0968 -28.0968 -28.0612 -28.0612 -9.7427 -9.7427 -9.5637 -9.5637 -9.2238 -9.2238 -9.1861 -9.1861 -9.0440 -9.0440 -8.9838 -8.9838 1.2006 1.2006 5.8104 5.8104 8.1208 8.1208 9.4460 9.4460 10.3140 10.3140 11.2385 11.2385 12.4155 12.4155 13.6239 13.6239 13.7384 13.7384 14.7916 14.7916 k =-0.3548 0.5669-0.0000 ( 2330 PWs) bands (ev): -28.0948 -28.0948 -28.0624 -28.0624 -9.7494 -9.7494 -9.5696 -9.5696 -9.2235 -9.2235 -9.1863 -9.1863 -9.0416 -9.0416 -8.9842 -8.9842 1.2214 1.2214 5.8784 5.8784 8.0265 8.0265 9.4346 9.4346 10.3345 10.3345 11.1524 11.1524 12.4584 12.4584 13.6211 13.6211 13.6773 13.6773 14.7694 14.7694 k =-0.3487 0.5823-0.0000 ( 2332 PWs) bands (ev): -28.0928 -28.0928 -28.0636 -28.0636 -9.7557 -9.7557 -9.5756 -9.5756 -9.2237 -9.2237 -9.1860 -9.1860 -9.0396 -9.0396 -8.9843 -8.9843 1.2420 1.2420 5.9478 5.9478 7.9344 7.9344 9.4238 9.4238 10.3546 10.3546 11.0629 11.0629 12.5007 12.5007 13.6148 13.6148 13.6243 13.6243 14.7545 14.7545 k =-0.3427 0.5978-0.0000 ( 2332 PWs) bands (ev): -28.0908 -28.0908 -28.0649 -28.0649 -9.7616 -9.7616 -9.5818 -9.5818 -9.2244 -9.2244 -9.1854 -9.1854 -9.0379 -9.0379 -8.9841 -8.9841 1.2621 1.2621 6.0183 6.0183 7.8448 7.8448 9.4138 9.4138 10.3741 10.3741 10.9711 10.9711 12.5428 12.5428 13.5624 13.5624 13.6205 13.6205 14.7477 14.7477 k =-0.3366 0.6133-0.0000 ( 2324 PWs) bands (ev): -28.0887 -28.0887 -28.0662 -28.0662 -9.7670 -9.7670 -9.5878 -9.5878 -9.2254 -9.2254 -9.1843 -9.1843 -9.0366 -9.0366 -8.9835 -8.9835 1.2817 1.2817 6.0898 6.0898 7.7580 7.7580 9.4045 9.4045 10.3930 10.3930 10.8778 10.8778 12.5851 12.5851 13.5097 13.5097 13.6188 13.6188 14.7498 14.7498 k =-0.3306 0.6287-0.0000 ( 2330 PWs) bands (ev): -28.0865 -28.0865 -28.0676 -28.0676 -9.7720 -9.7720 -9.5940 -9.5940 -9.2269 -9.2269 -9.1830 -9.1830 -9.0357 -9.0357 -8.9825 -8.9825 1.3005 1.3005 6.1620 6.1620 7.6741 7.6741 9.3961 9.3961 10.4111 10.4111 10.7838 10.7838 12.6278 12.6278 13.4599 13.4599 13.6147 13.6147 14.7614 14.7614 k =-0.3245 0.6442-0.0000 ( 2338 PWs) bands (ev): -28.0844 -28.0844 -28.0691 -28.0691 -9.7764 -9.7764 -9.6001 -9.6001 -9.2287 -9.2287 -9.1814 -9.1814 -9.0353 -9.0353 -8.9812 -8.9812 1.3184 1.3184 6.2345 6.2345 7.5934 7.5934 9.3887 9.3887 10.4282 10.4282 10.6901 10.6901 12.6713 12.6713 13.4130 13.4130 13.6076 13.6076 14.7826 14.7826 k =-0.3185 0.6597-0.0000 ( 2334 PWs) bands (ev): -28.0822 -28.0822 -28.0706 -28.0706 -9.7802 -9.7802 -9.6060 -9.6060 -9.2308 -9.2308 -9.1796 -9.1796 -9.0353 -9.0353 -8.9794 -8.9794 1.3353 1.3353 6.3070 6.3070 7.5162 7.5162 9.3822 9.3822 10.4443 10.4443 10.5972 10.5972 12.7159 12.7159 13.3693 13.3693 13.5968 13.5968 14.8132 14.8132 k =-0.3124 0.6751-0.0000 ( 2318 PWs) bands (ev): -28.0800 -28.0800 -28.0721 -28.0721 -9.7835 -9.7835 -9.6118 -9.6118 -9.2329 -9.2329 -9.1776 -9.1776 -9.0357 -9.0357 -8.9771 -8.9771 1.3509 1.3509 6.3792 6.3792 7.4425 7.4425 9.3768 9.3768 10.4586 10.4586 10.5066 10.5066 12.7620 12.7620 13.3286 13.3286 13.5824 13.5824 14.8529 14.8529 k =-0.3064 0.6906-0.0000 ( 2314 PWs) bands (ev): -28.0779 -28.0779 -28.0737 -28.0737 -9.7862 -9.7862 -9.6174 -9.6174 -9.2354 -9.2354 -9.1755 -9.1755 -9.0364 -9.0364 -8.9746 -8.9746 1.3652 1.3652 6.4507 6.4507 7.3727 7.3727 9.3725 9.3725 10.4154 10.4154 10.4745 10.4745 12.8099 12.8099 13.2911 13.2911 13.5643 13.5643 14.9007 14.9007 k =-0.3003 0.7061-0.0000 ( 2312 PWs) bands (ev): -28.0757 -28.0757 -28.0754 -28.0754 -9.7883 -9.7883 -9.6228 -9.6228 -9.2380 -9.2380 -9.1734 -9.1734 -9.0374 -9.0374 -8.9719 -8.9719 1.3779 1.3779 6.5210 6.5210 7.3069 7.3069 9.3693 9.3693 10.3298 10.3298 10.4866 10.4866 12.8598 12.8598 13.2568 13.2568 13.5430 13.5430 14.9558 14.9558 k =-0.2943 0.7216-0.0000 ( 2328 PWs) bands (ev): -28.0771 -28.0771 -28.0735 -28.0735 -9.7899 -9.7899 -9.6280 -9.6280 -9.2408 -9.2408 -9.1714 -9.1714 -9.0388 -9.0388 -8.9690 -8.9690 1.3889 1.3889 6.5896 6.5896 7.2455 7.2455 9.3672 9.3672 10.2475 10.2475 10.4977 10.4977 12.9118 12.9118 13.2257 13.2257 13.5189 13.5189 15.0170 15.0170 k =-0.2882 0.7370-0.0000 ( 2330 PWs) bands (ev): -28.0789 -28.0789 -28.0713 -28.0713 -9.7909 -9.7909 -9.6329 -9.6329 -9.2437 -9.2437 -9.1693 -9.1693 -9.0403 -9.0403 -8.9659 -8.9659 1.3980 1.3980 6.6560 6.6560 7.1885 7.1885 9.3663 9.3663 10.1693 10.1693 10.5075 10.5075 12.9663 12.9663 13.1979 13.1979 13.4923 13.4923 15.0832 15.0832 k =-0.2882 0.7370-0.0000 ( 2330 PWs) bands (ev): -28.0789 -28.0789 -28.0713 -28.0713 -9.7909 -9.7909 -9.6329 -9.6329 -9.2437 -9.2437 -9.1693 -9.1693 -9.0403 -9.0403 -8.9659 -8.9659 1.3980 1.3980 6.6560 6.6560 7.1885 7.1885 9.3663 9.3663 10.1693 10.1693 10.5075 10.5075 12.9663 12.9663 13.1979 13.1979 13.4923 13.4923 15.0832 15.0832 k =-0.2882 0.7370 0.0163 ( 2328 PWs) bands (ev): -28.0789 -28.0789 -28.0713 -28.0713 -9.7907 -9.7907 -9.6329 -9.6329 -9.2442 -9.2442 -9.1691 -9.1691 -9.0405 -9.0405 -8.9660 -8.9660 1.3991 1.3991 6.6555 6.6555 7.1899 7.1899 9.3590 9.3590 10.1704 10.1704 10.5064 10.5064 12.9518 12.9518 13.2126 13.2126 13.4984 13.4984 15.0396 15.0396 k =-0.2882 0.7370 0.0327 ( 2324 PWs) bands (ev): -28.0788 -28.0788 -28.0712 -28.0712 -9.7901 -9.7901 -9.6330 -9.6330 -9.2457 -9.2457 -9.1686 -9.1686 -9.0409 -9.0409 -8.9663 -8.9663 1.4023 1.4023 6.6540 6.6540 7.1941 7.1941 9.3373 9.3373 10.1735 10.1735 10.5031 10.5031 12.9159 12.9159 13.2493 13.2493 13.5161 13.5161 14.9722 14.9722 k =-0.2882 0.7370 0.0490 ( 2324 PWs) bands (ev): -28.0786 -28.0786 -28.0711 -28.0711 -9.7891 -9.7891 -9.6332 -9.6332 -9.2481 -9.2481 -9.1679 -9.1679 -9.0418 -9.0418 -8.9668 -8.9668 1.4077 1.4077 6.6514 6.6514 7.2011 7.2011 9.3019 9.3019 10.1786 10.1786 10.4977 10.4977 12.8698 12.8698 13.2968 13.2968 13.5434 13.5434 14.9073 14.9073 k =-0.2882 0.7370 0.0654 ( 2328 PWs) bands (ev): -28.0785 -28.0785 -28.0709 -28.0709 -9.7878 -9.7878 -9.6334 -9.6334 -9.2514 -9.2514 -9.1670 -9.1670 -9.0430 -9.0430 -8.9675 -8.9675 1.4153 1.4153 6.6476 6.6476 7.2108 7.2108 9.2541 9.2541 10.1856 10.1856 10.4900 10.4900 12.8194 12.8194 13.3493 13.3493 13.5770 13.5770 14.8508 14.8508 k =-0.2882 0.7370 0.0817 ( 2330 PWs) bands (ev): -28.0782 -28.0782 -28.0707 -28.0707 -9.7861 -9.7861 -9.6338 -9.6338 -9.2554 -9.2554 -9.1660 -9.1660 -9.0444 -9.0444 -8.9685 -8.9685 1.4250 1.4250 6.6424 6.6424 7.2233 7.2233 9.1954 9.1954 10.1945 10.1945 10.4801 10.4801 12.7675 12.7675 13.4042 13.4042 13.6124 13.6124 14.8068 14.8068 k =-0.2882 0.7370 0.0981 ( 2328 PWs) bands (ev): -28.0779 -28.0779 -28.0705 -28.0705 -9.7840 -9.7840 -9.6342 -9.6342 -9.2601 -9.2601 -9.1649 -9.1649 -9.0461 -9.0461 -8.9696 -8.9696 1.4368 1.4368 6.6355 6.6355 7.2385 7.2385 9.1275 9.1275 10.2051 10.2051 10.4678 10.4678 12.7154 12.7154 13.4603 13.4603 13.6437 13.6437 14.7802 14.7802 k =-0.2882 0.7370 0.1144 ( 2322 PWs) bands (ev): -28.0775 -28.0775 -28.0702 -28.0702 -9.7815 -9.7815 -9.6347 -9.6347 -9.2653 -9.2653 -9.1638 -9.1638 -9.0481 -9.0481 -8.9708 -8.9708 1.4509 1.4509 6.6267 6.6267 7.2563 7.2563 9.0521 9.0521 10.2172 10.2172 10.4533 10.4533 12.6641 12.6641 13.5168 13.5168 13.6649 13.6649 14.7759 14.7759 k =-0.2882 0.7370 0.1308 ( 2322 PWs) bands (ev): -28.0771 -28.0771 -28.0699 -28.0699 -9.7788 -9.7788 -9.6354 -9.6354 -9.2711 -9.2711 -9.1629 -9.1629 -9.0503 -9.0503 -8.9723 -8.9723 1.4670 1.4670 6.6155 6.6155 7.2768 7.2768 8.9712 8.9712 10.2309 10.2309 10.4363 10.4363 12.6141 12.6141 13.5735 13.5735 13.6708 13.6708 14.7974 14.7974 k =-0.2882 0.7370 0.1471 ( 2321 PWs) bands (ev): -28.0767 -28.0767 -28.0695 -28.0695 -9.7756 -9.7756 -9.6361 -9.6361 -9.2774 -9.2774 -9.1620 -9.1620 -9.0528 -9.0528 -8.9739 -8.9739 1.4853 1.4853 6.6017 6.6017 7.2998 7.2998 8.8864 8.8864 10.2458 10.2458 10.4169 10.4169 12.5658 12.5658 13.6295 13.6295 13.6596 13.6596 14.8456 14.8456 k =-0.2882 0.7370 0.1635 ( 2321 PWs) bands (ev): -28.0762 -28.0762 -28.0691 -28.0691 -9.7722 -9.7722 -9.6369 -9.6369 -9.2841 -9.2841 -9.1613 -9.1613 -9.0555 -9.0555 -8.9757 -8.9757 1.5058 1.5058 6.5846 6.5846 7.3253 7.3253 8.7996 8.7996 10.2619 10.2619 10.3950 10.3950 12.5196 12.5196 13.6294 13.6294 13.6873 13.6873 14.9182 14.9182 k =-0.2882 0.7370 0.1798 ( 2320 PWs) bands (ev): -28.0757 -28.0757 -28.0686 -28.0686 -9.7685 -9.7685 -9.6379 -9.6379 -9.2911 -9.2911 -9.1608 -9.1608 -9.0583 -9.0583 -8.9776 -8.9776 1.5284 1.5284 6.5637 6.5637 7.3532 7.3532 8.7122 8.7122 10.2789 10.2789 10.3708 10.3708 12.4758 12.4758 13.5867 13.5867 13.7433 13.7433 15.0107 15.0107 k =-0.2882 0.7370 0.1961 ( 2320 PWs) bands (ev): -28.0751 -28.0751 -28.0682 -28.0682 -9.7645 -9.7645 -9.6390 -9.6390 -9.2984 -9.2984 -9.1606 -9.1606 -9.0613 -9.0613 -8.9796 -8.9796 1.5532 1.5532 6.5384 6.5384 7.3834 7.3834 8.6259 8.6259 10.2963 10.2963 10.3445 10.3445 12.4345 12.4345 13.5332 13.5332 13.7992 13.7992 15.1180 15.1180 k =-0.2882 0.7370 0.2125 ( 2322 PWs) bands (ev): -28.0745 -28.0745 -28.0677 -28.0677 -9.7603 -9.7603 -9.6402 -9.6402 -9.3059 -9.3059 -9.1605 -9.1605 -9.0644 -9.0644 -8.9818 -8.9818 1.5801 1.5801 6.5082 6.5082 7.4159 7.4159 8.5422 8.5422 10.3073 10.3073 10.3229 10.3229 12.3961 12.3961 13.4721 13.4721 13.8548 13.8548 15.2350 15.2350 k =-0.2882 0.7370 0.2288 ( 2320 PWs) bands (ev): -28.0738 -28.0738 -28.0671 -28.0671 -9.7558 -9.7558 -9.6416 -9.6416 -9.3135 -9.3135 -9.1607 -9.1607 -9.0677 -9.0677 -8.9840 -8.9840 1.6092 1.6092 6.4724 6.4724 7.4505 7.4505 8.4623 8.4623 10.2811 10.2811 10.3363 10.3363 12.3606 12.3606 13.4062 13.4062 13.9101 13.9101 15.3574 15.3574 k =-0.2882 0.7370 0.2452 ( 2326 PWs) bands (ev): -28.0731 -28.0731 -28.0666 -28.0666 -9.7512 -9.7512 -9.6431 -9.6431 -9.3214 -9.3214 -9.1611 -9.1611 -9.0710 -9.0710 -8.9864 -8.9864 1.6404 1.6404 6.4304 6.4304 7.4872 7.4872 8.3873 8.3873 10.2476 10.2476 10.3547 10.3547 12.3282 12.3282 13.3373 13.3373 13.9651 13.9651 15.4810 15.4810 k =-0.2882 0.7370 0.2615 ( 2324 PWs) bands (ev): -28.0724 -28.0724 -28.0660 -28.0660 -9.7464 -9.7464 -9.6447 -9.6447 -9.3292 -9.3292 -9.1618 -9.1618 -9.0743 -9.0743 -8.9888 -8.9888 1.6737 1.6737 6.3819 6.3819 7.5258 7.5258 8.3183 8.3183 10.2116 10.2116 10.3733 10.3733 12.2989 12.2989 13.2670 13.2670 14.0199 14.0199 15.6020 15.6020 k =-0.2882 0.7370 0.2779 ( 2322 PWs) bands (ev): -28.0717 -28.0717 -28.0654 -28.0654 -9.7415 -9.7415 -9.6465 -9.6465 -9.3371 -9.3371 -9.1626 -9.1626 -9.0777 -9.0777 -8.9912 -8.9912 1.7092 1.7092 6.3265 6.3265 7.5662 7.5662 8.2561 8.2561 10.1735 10.1735 10.3913 10.3913 12.2727 12.2727 13.1965 13.1965 14.0744 14.0744 15.7166 15.7166 k =-0.2882 0.7370 0.2942 ( 2326 PWs) bands (ev): -28.0709 -28.0709 -28.0648 -28.0648 -9.7365 -9.7365 -9.6484 -9.6484 -9.3449 -9.3449 -9.1638 -9.1638 -9.0812 -9.0812 -8.9936 -8.9936 1.7469 1.7469 6.2642 6.2642 7.6082 7.6082 8.2010 8.2010 10.1336 10.1336 10.4084 10.4084 12.2496 12.2496 13.1267 13.1267 14.1287 14.1287 15.8206 15.8206 k =-0.2882 0.7370 0.3106 ( 2330 PWs) bands (ev): -28.0701 -28.0701 -28.0642 -28.0642 -9.7315 -9.7315 -9.6505 -9.6505 -9.3526 -9.3526 -9.1651 -9.1651 -9.0846 -9.0846 -8.9961 -8.9961 1.7866 1.7866 6.1949 6.1949 7.6518 7.6518 8.1533 8.1533 10.0922 10.0922 10.4241 10.4241 12.2297 12.2297 13.0585 13.0585 14.1828 14.1828 15.9093 15.9093 k =-0.2882 0.7370 0.3269 ( 2331 PWs) bands (ev): -28.0693 -28.0693 -28.0635 -28.0635 -9.7265 -9.7265 -9.6527 -9.6527 -9.3601 -9.3601 -9.1667 -9.1667 -9.0881 -9.0881 -8.9986 -8.9986 1.8285 1.8285 6.1190 6.1190 7.6968 7.6968 8.1131 8.1131 10.0494 10.0494 10.4381 10.4381 12.2127 12.2127 12.9923 12.9923 14.2367 14.2367 15.9778 15.9778 k =-0.2882 0.7370 0.3433 ( 2335 PWs) bands (ev): -28.0685 -28.0685 -28.0629 -28.0629 -9.7216 -9.7216 -9.6550 -9.6550 -9.3674 -9.3674 -9.1685 -9.1685 -9.0916 -9.0916 -9.0010 -9.0010 1.8726 1.8726 6.0369 6.0369 7.7430 7.7430 8.0801 8.0801 10.0055 10.0055 10.4498 10.4498 12.1986 12.1986 12.9289 12.9289 14.2904 14.2904 16.0237 16.0237 k =-0.2882 0.7370 0.3596 ( 2333 PWs) bands (ev): -28.0677 -28.0677 -28.0622 -28.0622 -9.7168 -9.7168 -9.6573 -9.6573 -9.3743 -9.3743 -9.1705 -9.1705 -9.0949 -9.0949 -9.0034 -9.0034 1.9187 1.9187 5.9492 5.9492 7.7902 7.7902 8.0539 8.0539 9.9609 9.9609 10.4589 10.4589 12.1873 12.1873 12.8687 12.8687 14.3440 14.3440 16.0498 16.0498 k =-0.2882 0.7370 0.3759 ( 2333 PWs) bands (ev): -28.0669 -28.0669 -28.0616 -28.0616 -9.7123 -9.7123 -9.6597 -9.6597 -9.3808 -9.3808 -9.1727 -9.1727 -9.0983 -9.0983 -9.0057 -9.0057 1.9670 1.9670 5.8565 5.8565 7.8382 7.8382 8.0341 8.0341 9.9159 9.9159 10.4648 10.4648 12.1786 12.1786 12.8120 12.8120 14.3975 14.3975 16.0620 16.0620 k =-0.2882 0.7370 0.3923 ( 2335 PWs) bands (ev): -28.0660 -28.0660 -28.0610 -28.0610 -9.7081 -9.7081 -9.6621 -9.6621 -9.3869 -9.3869 -9.1751 -9.1751 -9.1016 -9.1016 -9.0080 -9.0080 2.0175 2.0175 5.7597 5.7597 7.8868 7.8868 8.0202 8.0202 9.8709 9.8709 10.4673 10.4673 12.1724 12.1724 12.7592 12.7592 14.4509 14.4509 16.0657 16.0657 k =-0.2882 0.7370 0.4086 ( 2333 PWs) bands (ev): -28.0652 -28.0652 -28.0603 -28.0603 -9.7042 -9.7042 -9.6644 -9.6644 -9.3925 -9.3925 -9.1777 -9.1777 -9.1048 -9.1048 -9.0103 -9.0103 2.0700 2.0700 5.6592 5.6592 7.9357 7.9357 8.0114 8.0114 9.8261 9.8261 10.4660 10.4660 12.1685 12.1685 12.7106 12.7106 14.5041 14.5041 16.0643 16.0643 k =-0.2882 0.7370 0.4250 ( 2333 PWs) bands (ev): -28.0644 -28.0644 -28.0597 -28.0597 -9.7010 -9.7010 -9.6665 -9.6665 -9.3974 -9.3974 -9.1806 -9.1806 -9.1078 -9.1078 -9.0124 -9.0124 2.1247 2.1247 5.5558 5.5558 7.9847 7.9847 8.0074 8.0074 9.7821 9.7821 10.4604 10.4604 12.1668 12.1668 12.6662 12.6662 14.5573 14.5573 16.0595 16.0595 k =-0.2882 0.7370 0.4413 ( 2335 PWs) bands (ev): -28.0636 -28.0636 -28.0591 -28.0591 -9.6984 -9.6984 -9.6683 -9.6683 -9.4017 -9.4017 -9.1838 -9.1838 -9.1107 -9.1107 -9.0145 -9.0145 2.1815 2.1815 5.4501 5.4501 8.0076 8.0076 8.0334 8.0334 9.7392 9.7392 10.4505 10.4505 12.1670 12.1670 12.6263 12.6263 14.6104 14.6104 16.0525 16.0525 k =-0.2882 0.7370 0.4577 ( 2335 PWs) bands (ev): -28.0628 -28.0628 -28.0585 -28.0585 -9.6967 -9.6967 -9.6697 -9.6697 -9.4053 -9.4053 -9.1871 -9.1871 -9.1134 -9.1134 -9.0165 -9.0165 2.2404 2.2404 5.3427 5.3427 8.0115 8.0115 8.0815 8.0815 9.6978 9.6978 10.4361 10.4361 12.1691 12.1691 12.5907 12.5907 14.6634 14.6634 16.0437 16.0437 k =-0.2882 0.7370 0.4740 ( 2337 PWs) bands (ev): -28.0620 -28.0620 -28.0580 -28.0580 -9.6960 -9.6960 -9.6706 -9.6706 -9.4081 -9.4081 -9.1908 -9.1908 -9.1160 -9.1160 -9.0184 -9.0184 2.3014 2.3014 5.2340 5.2340 8.0187 8.0187 8.1285 8.1285 9.6585 9.6585 10.4171 10.4171 12.1729 12.1729 12.5593 12.5593 14.7164 14.7164 16.0332 16.0332 k =-0.2882 0.7370 0.4904 ( 2337 PWs) bands (ev): -28.0612 -28.0612 -28.0574 -28.0574 -9.6962 -9.6962 -9.6710 -9.6710 -9.4101 -9.4101 -9.1947 -9.1947 -9.1182 -9.1182 -9.0202 -9.0202 2.3645 2.3645 5.1245 5.1245 8.0287 8.0287 8.1739 8.1739 9.6219 9.6219 10.3936 10.3936 12.1782 12.1782 12.5319 12.5319 14.7694 14.7694 16.0210 16.0210 k =-0.2882 0.7370 0.5067 ( 2341 PWs) bands (ev): -28.0605 -28.0605 -28.0569 -28.0569 -9.6972 -9.6972 -9.6710 -9.6710 -9.4113 -9.4113 -9.1989 -9.1989 -9.1203 -9.1203 -9.0219 -9.0219 2.4297 2.4297 5.0146 5.0146 8.0414 8.0414 8.2173 8.2173 9.5885 9.5885 10.3657 10.3657 12.1849 12.1849 12.5082 12.5082 14.8223 14.8223 16.0069 16.0069 k =-0.2882 0.7370 0.5231 ( 2341 PWs) bands (ev): -28.0598 -28.0598 -28.0565 -28.0565 -9.6987 -9.6987 -9.6709 -9.6709 -9.4118 -9.4118 -9.2033 -9.2033 -9.1221 -9.1221 -9.0235 -9.0235 2.4970 2.4970 4.9045 4.9045 8.0563 8.0563 8.2580 8.2580 9.5589 9.5589 10.3337 10.3337 12.1928 12.1928 12.4878 12.4878 14.8752 14.8752 15.9907 15.9907 k =-0.2882 0.7370 0.5394 ( 2339 PWs) bands (ev): -28.0591 -28.0591 -28.0560 -28.0560 -9.7006 -9.7006 -9.6707 -9.6707 -9.4115 -9.4115 -9.2078 -9.2078 -9.1237 -9.1237 -9.0251 -9.0251 2.5664 2.5664 4.7947 4.7947 8.0732 8.0732 8.2952 8.2952 9.5340 9.5340 10.2978 10.2978 12.2018 12.2018 12.4702 12.4702 14.9281 14.9281 15.9721 15.9721 k =-0.2882 0.7370 0.5557 ( 2339 PWs) bands (ev): -28.0585 -28.0585 -28.0556 -28.0556 -9.7026 -9.7026 -9.6707 -9.6707 -9.4106 -9.4106 -9.2126 -9.2126 -9.1250 -9.1250 -9.0265 -9.0265 2.6378 2.6378 4.6852 4.6852 8.0918 8.0918 8.3284 8.3284 9.5144 9.5144 10.2585 10.2585 12.2116 12.2116 12.4551 12.4551 14.9809 14.9809 15.9508 15.9508 k =-0.2882 0.7370 0.5721 ( 2333 PWs) bands (ev): -28.0578 -28.0578 -28.0552 -28.0552 -9.7047 -9.7047 -9.6707 -9.6707 -9.4090 -9.4090 -9.2174 -9.2174 -9.1261 -9.1261 -9.0278 -9.0278 2.7113 2.7113 4.5765 4.5765 8.1119 8.1119 8.3569 8.3569 9.5007 9.5007 10.2161 10.2161 12.2222 12.2222 12.4419 12.4419 15.0336 15.0336 15.9267 15.9267 k =-0.2882 0.7370 0.5884 ( 2339 PWs) bands (ev): -28.0573 -28.0573 -28.0549 -28.0549 -9.7069 -9.7069 -9.6710 -9.6710 -9.4069 -9.4069 -9.2223 -9.2223 -9.1270 -9.1270 -9.0290 -9.0290 2.7869 2.7869 4.4685 4.4685 8.1333 8.1333 8.3799 8.3799 9.4937 9.4937 10.1711 10.1711 12.2334 12.2334 12.4302 12.4302 15.0862 15.0862 15.8996 15.8996 k =-0.2882 0.7370 0.6048 ( 2339 PWs) bands (ev): -28.0567 -28.0567 -28.0546 -28.0546 -9.7089 -9.7089 -9.6714 -9.6714 -9.4045 -9.4045 -9.2272 -9.2272 -9.1278 -9.1278 -9.0301 -9.0301 2.8645 2.8645 4.3616 4.3616 8.1558 8.1558 8.3972 8.3972 9.4937 9.4937 10.1238 10.1238 12.2451 12.2451 12.4197 12.4197 15.1386 15.1386 15.8697 15.8697 k =-0.2882 0.7370 0.6211 ( 2341 PWs) bands (ev): -28.0562 -28.0562 -28.0544 -28.0544 -9.7107 -9.7107 -9.6719 -9.6719 -9.4018 -9.4018 -9.2319 -9.2319 -9.1284 -9.1284 -9.0311 -9.0311 2.9441 2.9441 4.2559 4.2559 8.1791 8.1791 8.4084 8.4084 9.5010 9.5010 10.0748 10.0748 12.2572 12.2572 12.4098 12.4098 15.1909 15.1909 15.8368 15.8368 k =-0.2882 0.7370 0.6375 ( 2339 PWs) bands (ev): -28.0558 -28.0558 -28.0542 -28.0542 -9.7124 -9.7124 -9.6724 -9.6724 -9.3989 -9.3989 -9.2364 -9.2364 -9.1288 -9.1288 -9.0319 -9.0319 3.0258 3.0258 4.1514 4.1514 8.2031 8.2031 8.4136 8.4136 9.5155 9.5155 10.0245 10.0245 12.2695 12.2695 12.4004 12.4004 15.2428 15.2428 15.8013 15.8013 k =-0.2882 0.7370 0.6538 ( 2339 PWs) bands (ev): -28.0554 -28.0554 -28.0540 -28.0540 -9.7139 -9.7139 -9.6729 -9.6729 -9.3961 -9.3961 -9.2405 -9.2405 -9.1291 -9.1291 -9.0327 -9.0327 3.1094 3.1094 4.0483 4.0483 8.2275 8.2275 8.4130 8.4130 9.5368 9.5368 9.9734 9.9734 12.2818 12.2818 12.3912 12.3912 15.2945 15.2945 15.7633 15.7633 k =-0.2882 0.7370 0.6702 ( 2337 PWs) bands (ev): -28.0550 -28.0550 -28.0539 -28.0539 -9.7151 -9.7151 -9.6734 -9.6734 -9.3935 -9.3935 -9.2441 -9.2441 -9.1293 -9.1293 -9.0333 -9.0333 3.1950 3.1950 3.9467 3.9467 8.2520 8.2520 8.4073 8.4073 9.5644 9.5644 9.9219 9.9219 12.2941 12.2941 12.3818 12.3818 15.3457 15.3457 15.7230 15.7230 k =-0.2882 0.7370 0.6865 ( 2335 PWs) bands (ev): -28.0547 -28.0547 -28.0539 -28.0539 -9.7161 -9.7161 -9.6738 -9.6738 -9.3913 -9.3913 -9.2471 -9.2471 -9.1295 -9.1295 -9.0337 -9.0337 3.2825 3.2825 3.8467 3.8467 8.2763 8.2763 8.3970 8.3970 9.5976 9.5976 9.8705 9.8705 12.3062 12.3062 12.3723 12.3723 15.3963 15.3963 15.6807 15.6807 k =-0.2882 0.7370 0.7029 ( 2337 PWs) bands (ev): -28.0544 -28.0544 -28.0539 -28.0539 -9.7168 -9.7168 -9.6742 -9.6742 -9.3896 -9.3896 -9.2494 -9.2494 -9.1296 -9.1296 -9.0341 -9.0341 3.3719 3.3719 3.7482 3.7482 8.3001 8.3001 8.3829 8.3829 9.6356 9.6356 9.8198 9.8198 12.3180 12.3180 12.3624 12.3624 15.4463 15.4463 15.6366 15.6366 k =-0.2882 0.7370 0.7192 ( 2337 PWs) bands (ev): -28.0542 -28.0542 -28.0540 -28.0540 -9.7172 -9.7172 -9.6744 -9.6744 -9.3885 -9.3885 -9.2508 -9.2508 -9.1297 -9.1297 -9.0343 -9.0343 3.4632 3.4632 3.6516 3.6516 8.3226 8.3226 8.3660 8.3660 9.6775 9.6775 9.7704 9.7704 12.3294 12.3294 12.3523 12.3523 15.4955 15.4955 15.5909 15.5909 k =-0.2882 0.7370 0.7355 ( 2340 PWs) bands (ev): -28.0541 -28.0541 -28.0541 -28.0541 -9.7174 -9.7174 -9.6745 -9.6745 -9.3882 -9.3882 -9.2512 -9.2512 -9.1297 -9.1297 -9.0344 -9.0344 3.5522 3.5522 3.5607 3.5607 8.3389 8.3389 8.3516 8.3516 9.7210 9.7210 9.7244 9.7244 12.3377 12.3377 12.3444 12.3444 15.5417 15.5417 15.5458 15.5458 k =-0.2882 0.7370 0.7355 ( 2340 PWs) bands (ev): -28.0541 -28.0541 -28.0541 -28.0541 -9.7174 -9.7174 -9.6745 -9.6745 -9.3882 -9.3882 -9.2512 -9.2512 -9.1297 -9.1297 -9.0344 -9.0344 3.5522 3.5522 3.5607 3.5607 8.3389 8.3389 8.3516 8.3516 9.7210 9.7210 9.7244 9.7244 12.3377 12.3377 12.3444 12.3444 15.5417 15.5417 15.5458 15.5458 k =-0.2943 0.7216 0.7355 ( 2334 PWs) bands (ev): -28.0543 -28.0543 -28.0543 -28.0543 -9.7182 -9.7182 -9.6738 -9.6738 -9.3918 -9.3918 -9.2531 -9.2531 -9.1251 -9.1251 -9.0293 -9.0293 3.5569 3.5569 3.5657 3.5657 8.3146 8.3146 8.3271 8.3271 9.7425 9.7425 9.7460 9.7460 12.3460 12.3460 12.3523 12.3523 15.4517 15.4517 15.4557 15.4557 k =-0.3003 0.7061 0.7355 ( 2334 PWs) bands (ev): -28.0545 -28.0545 -28.0545 -28.0545 -9.7189 -9.7189 -9.6733 -9.6733 -9.3950 -9.3950 -9.2549 -9.2549 -9.1204 -9.1204 -9.0244 -9.0244 3.5609 3.5609 3.5700 3.5700 8.2911 8.2911 8.3033 8.3033 9.7656 9.7656 9.7692 9.7692 12.3556 12.3556 12.3614 12.3614 15.3587 15.3587 15.3627 15.3627 k =-0.3064 0.6906 0.7355 ( 2326 PWs) bands (ev): -28.0547 -28.0547 -28.0547 -28.0547 -9.7195 -9.7195 -9.6728 -9.6728 -9.3976 -9.3976 -9.2565 -9.2565 -9.1156 -9.1156 -9.0196 -9.0196 3.5642 3.5642 3.5736 3.5736 8.2685 8.2685 8.2805 8.2805 9.7902 9.7902 9.7941 9.7941 12.3668 12.3668 12.3722 12.3722 15.2638 15.2638 15.2677 15.2677 k =-0.3124 0.6751 0.7355 ( 2326 PWs) bands (ev): -28.0550 -28.0550 -28.0549 -28.0549 -9.7201 -9.7201 -9.6726 -9.6726 -9.3998 -9.3998 -9.2580 -9.2580 -9.1108 -9.1108 -9.0149 -9.0149 3.5667 3.5667 3.5764 3.5764 8.2467 8.2467 8.2585 8.2585 9.8165 9.8165 9.8204 9.8204 12.3798 12.3798 12.3850 12.3850 15.1674 15.1674 15.1713 15.1713 k =-0.3185 0.6597 0.7355 ( 2322 PWs) bands (ev): -28.0552 -28.0552 -28.0552 -28.0552 -9.7207 -9.7207 -9.6725 -9.6725 -9.4012 -9.4012 -9.2592 -9.2592 -9.1059 -9.1059 -9.0104 -9.0104 3.5686 3.5686 3.5785 3.5785 8.2259 8.2259 8.2374 8.2374 9.8443 9.8443 9.8483 9.8483 12.3951 12.3951 12.4000 12.4000 15.0701 15.0701 15.0739 15.0739 k =-0.3245 0.6442 0.7355 ( 2318 PWs) bands (ev): -28.0555 -28.0555 -28.0555 -28.0555 -9.7213 -9.7213 -9.6727 -9.6727 -9.4021 -9.4021 -9.2602 -9.2602 -9.1011 -9.1011 -9.0061 -9.0061 3.5697 3.5697 3.5798 3.5798 8.2059 8.2059 8.2173 8.2173 9.8736 9.8736 9.8778 9.8778 12.4129 12.4129 12.4174 12.4174 14.9723 14.9723 14.9760 14.9760 k =-0.3306 0.6287 0.7355 ( 2314 PWs) bands (ev): -28.0558 -28.0558 -28.0558 -28.0558 -9.7220 -9.7220 -9.6732 -9.6732 -9.4022 -9.4022 -9.2609 -9.2609 -9.0963 -9.0963 -9.0019 -9.0019 3.5701 3.5701 3.5803 3.5803 8.1870 8.1870 8.1981 8.1981 9.9044 9.9044 9.9087 9.9087 12.4333 12.4333 12.4376 12.4376 14.8741 14.8741 14.8778 14.8778 k =-0.3366 0.6133 0.7355 ( 2314 PWs) bands (ev): -28.0562 -28.0562 -28.0562 -28.0562 -9.7227 -9.7227 -9.6741 -9.6741 -9.4017 -9.4017 -9.2613 -9.2613 -9.0915 -9.0915 -8.9979 -8.9979 3.5697 3.5697 3.5800 3.5800 8.1689 8.1689 8.1798 8.1798 9.9368 9.9368 9.9411 9.9411 12.4566 12.4566 12.4608 12.4608 14.7759 14.7759 14.7794 14.7794 k =-0.3427 0.5978 0.7355 ( 2314 PWs) bands (ev): -28.0565 -28.0565 -28.0565 -28.0565 -9.7235 -9.7235 -9.6753 -9.6753 -9.4005 -9.4005 -9.2614 -9.2614 -9.0869 -9.0869 -8.9941 -8.9941 3.5686 3.5686 3.5790 3.5790 8.1518 8.1518 8.1625 8.1625 9.9707 9.9707 9.9751 9.9751 12.4831 12.4831 12.4870 12.4870 14.6777 14.6777 14.6812 14.6812 k =-0.3487 0.5823 0.7355 ( 2318 PWs) bands (ev): -28.0569 -28.0569 -28.0569 -28.0569 -9.7244 -9.7244 -9.6768 -9.6768 -9.3986 -9.3986 -9.2612 -9.2612 -9.0823 -9.0823 -8.9905 -8.9905 3.5668 3.5668 3.5773 3.5773 8.1356 8.1356 8.1460 8.1460 10.0061 10.0061 10.0105 10.0105 12.5127 12.5127 12.5165 12.5165 14.5798 14.5798 14.5832 14.5832 k =-0.3548 0.5669 0.7355 ( 2318 PWs) bands (ev): -28.0573 -28.0573 -28.0572 -28.0572 -9.7253 -9.7253 -9.6787 -9.6787 -9.3960 -9.3960 -9.2607 -9.2607 -9.0777 -9.0777 -8.9872 -8.9872 3.5644 3.5644 3.5748 3.5748 8.1203 8.1203 8.1304 8.1304 10.0431 10.0431 10.0475 10.0475 12.5457 12.5457 12.5494 12.5494 14.4824 14.4824 14.4856 14.4856 k =-0.3608 0.5514 0.7355 ( 2324 PWs) bands (ev): -28.0576 -28.0576 -28.0576 -28.0576 -9.7264 -9.7264 -9.6809 -9.6809 -9.3928 -9.3928 -9.2600 -9.2600 -9.0733 -9.0733 -8.9841 -8.9841 3.5613 3.5613 3.5716 3.5716 8.1059 8.1059 8.1157 8.1157 10.0815 10.0815 10.0861 10.0861 12.5821 12.5821 12.5858 12.5858 14.3854 14.3854 14.3885 14.3885 k =-0.3669 0.5359 0.7355 ( 2320 PWs) bands (ev): -28.0580 -28.0580 -28.0580 -28.0580 -9.7274 -9.7274 -9.6833 -9.6833 -9.3888 -9.3888 -9.2589 -9.2589 -9.0689 -9.0689 -8.9812 -8.9812 3.5576 3.5576 3.5678 3.5678 8.0923 8.0923 8.1018 8.1018 10.1216 10.1216 10.1261 10.1261 12.6220 12.6220 12.6257 12.6257 14.2892 14.2892 14.2922 14.2922 k =-0.3729 0.5204 0.7355 ( 2316 PWs) bands (ev): -28.0584 -28.0584 -28.0584 -28.0584 -9.7286 -9.7286 -9.6861 -9.6861 -9.3844 -9.3844 -9.2577 -9.2577 -9.0646 -9.0646 -8.9785 -8.9785 3.5533 3.5533 3.5635 3.5635 8.0795 8.0795 8.0887 8.0887 10.1632 10.1632 10.1678 10.1678 12.6653 12.6653 12.6691 12.6691 14.1938 14.1938 14.1966 14.1966 k =-0.3790 0.5050 0.7355 ( 2320 PWs) bands (ev): -28.0588 -28.0588 -28.0588 -28.0588 -9.7299 -9.7299 -9.6891 -9.6891 -9.3795 -9.3795 -9.2563 -9.2563 -9.0604 -9.0604 -8.9762 -8.9762 3.5486 3.5486 3.5586 3.5586 8.0674 8.0674 8.0764 8.0764 10.2063 10.2063 10.2109 10.2109 12.7121 12.7121 12.7159 12.7159 14.0995 14.0995 14.1020 14.1020 k =-0.3850 0.4895 0.7355 ( 2328 PWs) bands (ev): -28.0592 -28.0592 -28.0592 -28.0592 -9.7312 -9.7312 -9.6922 -9.6922 -9.3741 -9.3741 -9.2548 -9.2548 -9.0563 -9.0563 -8.9741 -8.9741 3.5434 3.5434 3.5532 3.5532 8.0561 8.0561 8.0647 8.0647 10.2509 10.2509 10.2555 10.2555 12.7621 12.7621 12.7662 12.7662 14.0065 14.0065 14.0087 14.0087 k =-0.3911 0.4740 0.7355 ( 2328 PWs) bands (ev): -28.0596 -28.0596 -28.0596 -28.0596 -9.7326 -9.7326 -9.6956 -9.6956 -9.3683 -9.3683 -9.2531 -9.2531 -9.0522 -9.0522 -8.9722 -8.9722 3.5379 3.5379 3.5474 3.5474 8.0455 8.0455 8.0538 8.0538 10.2970 10.2970 10.3016 10.3016 12.8153 12.8153 12.8196 12.8196 13.9151 13.9151 13.9169 13.9169 k =-0.3971 0.4586 0.7355 ( 2338 PWs) bands (ev): -28.0599 -28.0599 -28.0599 -28.0599 -9.7341 -9.7341 -9.6990 -9.6990 -9.3622 -9.3622 -9.2515 -9.2515 -9.0481 -9.0481 -8.9706 -8.9706 3.5321 3.5321 3.5414 3.5414 8.0356 8.0356 8.0435 8.0435 10.3445 10.3445 10.3491 10.3491 12.8711 12.8711 12.8758 12.8758 13.8258 13.8258 13.8272 13.8272 k =-0.4032 0.4431 0.7355 ( 2330 PWs) bands (ev): -28.0603 -28.0603 -28.0603 -28.0603 -9.7354 -9.7354 -9.7025 -9.7025 -9.3558 -9.3558 -9.2498 -9.2498 -9.0441 -9.0441 -8.9693 -8.9693 3.5261 3.5261 3.5350 3.5350 8.0263 8.0263 8.0338 8.0338 10.3933 10.3933 10.3978 10.3978 12.9289 12.9289 12.9343 12.9343 13.7396 13.7396 13.7402 13.7402 k =-0.4092 0.4276 0.7355 ( 2334 PWs) bands (ev): -28.0607 -28.0607 -28.0607 -28.0607 -9.7369 -9.7369 -9.7061 -9.7061 -9.3492 -9.3492 -9.2481 -9.2481 -9.0402 -9.0402 -8.9683 -8.9683 3.5200 3.5200 3.5285 3.5285 8.0177 8.0177 8.0248 8.0248 10.4432 10.4432 10.4477 10.4477 12.9875 12.9875 12.9937 12.9937 13.6574 13.6574 13.6576 13.6576 k =-0.4153 0.4121 0.7355 ( 2334 PWs) bands (ev): -28.0610 -28.0610 -28.0610 -28.0610 -9.7383 -9.7383 -9.7096 -9.7096 -9.3424 -9.3424 -9.2466 -9.2466 -9.0363 -9.0363 -8.9676 -8.9676 3.5138 3.5138 3.5219 3.5219 8.0096 8.0096 8.0163 8.0163 10.4942 10.4942 10.4986 10.4986 13.0443 13.0443 13.0517 13.0517 13.5813 13.5813 13.5827 13.5827 k =-0.4213 0.3967 0.7355 ( 2330 PWs) bands (ev): -28.0613 -28.0613 -28.0613 -28.0613 -9.7396 -9.7396 -9.7131 -9.7131 -9.3355 -9.3355 -9.2452 -9.2452 -9.0324 -9.0324 -8.9672 -8.9672 3.5076 3.5076 3.5153 3.5153 8.0021 8.0021 8.0084 8.0084 10.5459 10.5459 10.5502 10.5502 13.0939 13.0939 13.1029 13.1029 13.5173 13.5173 13.5205 13.5205 k =-0.4274 0.3812 0.7355 ( 2330 PWs) bands (ev): -28.0617 -28.0617 -28.0617 -28.0617 -9.7409 -9.7409 -9.7165 -9.7165 -9.3286 -9.3286 -9.2441 -9.2441 -9.0286 -9.0286 -8.9670 -8.9670 3.5016 3.5016 3.5088 3.5088 7.9952 7.9952 8.0011 8.0011 10.5980 10.5980 10.6023 10.6023 13.1255 13.1255 13.1362 13.1362 13.4770 13.4770 13.4819 13.4819 k =-0.4334 0.3657 0.7355 ( 2330 PWs) bands (ev): -28.0620 -28.0620 -28.0620 -28.0620 -9.7420 -9.7420 -9.7198 -9.7198 -9.3217 -9.3217 -9.2432 -9.2432 -9.0248 -9.0248 -8.9672 -8.9672 3.4957 3.4957 3.5024 3.5024 7.9889 7.9889 7.9943 7.9943 10.6503 10.6503 10.6545 10.6545 13.1253 13.1253 13.1364 13.1364 13.4756 13.4756 13.4810 13.4810 k =-0.4395 0.3503 0.7355 ( 2326 PWs) bands (ev): -28.0622 -28.0622 -28.0622 -28.0622 -9.7431 -9.7431 -9.7230 -9.7230 -9.3148 -9.3148 -9.2426 -9.2426 -9.0210 -9.0210 -8.9676 -8.9676 3.4901 3.4901 3.4963 3.4963 7.9831 7.9831 7.9880 7.9880 10.7023 10.7023 10.7064 10.7064 13.0931 13.0931 13.1029 13.1029 13.5143 13.5143 13.5185 13.5185 k =-0.4455 0.3348 0.7355 ( 2326 PWs) bands (ev): -28.0625 -28.0625 -28.0625 -28.0625 -9.7440 -9.7440 -9.7260 -9.7260 -9.3081 -9.3081 -9.2423 -9.2423 -9.0172 -9.0172 -8.9683 -8.9683 3.4848 3.4848 3.4905 3.4905 7.9779 7.9779 7.9823 7.9823 10.7535 10.7535 10.7574 10.7574 13.0423 13.0423 13.0506 13.0506 13.5783 13.5783 13.5811 13.5811 k =-0.4516 0.3193 0.7355 ( 2326 PWs) bands (ev): -28.0627 -28.0627 -28.0627 -28.0627 -9.7448 -9.7448 -9.7289 -9.7289 -9.3015 -9.3015 -9.2424 -9.2424 -9.0135 -9.0135 -8.9693 -8.9693 3.4799 3.4799 3.4850 3.4850 7.9732 7.9732 7.9772 7.9772 10.8033 10.8033 10.8069 10.8069 12.9846 12.9846 12.9917 12.9917 13.6562 13.6562 13.6578 13.6578 k =-0.4576 0.3038 0.7355 ( 2318 PWs) bands (ev): -28.0629 -28.0629 -28.0629 -28.0629 -9.7455 -9.7455 -9.7316 -9.7316 -9.2951 -9.2951 -9.2429 -9.2429 -9.0098 -9.0098 -8.9705 -8.9705 3.4755 3.4755 3.4800 3.4800 7.9691 7.9691 7.9726 7.9726 10.8508 10.8508 10.8542 10.8542 12.9262 12.9262 12.9322 12.9322 13.7422 13.7422 13.7429 13.7429 k =-0.4637 0.2884 0.7355 ( 2322 PWs) bands (ev): -28.0631 -28.0631 -28.0631 -28.0631 -9.7459 -9.7459 -9.7341 -9.7341 -9.2890 -9.2890 -9.2439 -9.2439 -9.0061 -9.0061 -8.9721 -8.9721 3.4715 3.4715 3.4754 3.4754 7.9656 7.9656 7.9686 7.9686 10.8953 10.8953 10.8984 10.8984 12.8704 12.8704 12.8755 12.8755 13.8335 13.8335 13.8335 13.8335 k =-0.4697 0.2729 0.7355 ( 2326 PWs) bands (ev): -28.0633 -28.0633 -28.0633 -28.0633 -9.7462 -9.7462 -9.7364 -9.7364 -9.2831 -9.2831 -9.2453 -9.2453 -9.0026 -9.0026 -8.9739 -8.9739 3.4682 3.4682 3.4714 3.4714 7.9626 7.9626 7.9651 7.9651 10.9357 10.9357 10.9385 10.9385 12.8196 12.8196 12.8238 12.8238 13.9280 13.9280 13.9285 13.9285 k =-0.4758 0.2574 0.7355 ( 2326 PWs) bands (ev): -28.0634 -28.0634 -28.0634 -28.0634 -9.7463 -9.7463 -9.7384 -9.7384 -9.2776 -9.2776 -9.2471 -9.2471 -8.9991 -8.9991 -8.9759 -8.9759 3.4654 3.4654 3.4681 3.4681 7.9602 7.9602 7.9623 7.9623 10.9711 10.9711 10.9734 10.9734 12.7754 12.7754 12.7788 12.7788 14.0249 14.0249 14.0259 14.0259 k =-0.4818 0.2420 0.7355 ( 2324 PWs) bands (ev): -28.0635 -28.0635 -28.0635 -28.0635 -9.7461 -9.7461 -9.7402 -9.7402 -9.2723 -9.2723 -9.2494 -9.2494 -8.9956 -8.9956 -8.9781 -8.9781 3.4633 3.4633 3.4653 3.4653 7.9584 7.9584 7.9600 7.9600 11.0002 11.0002 11.0020 11.0020 12.7393 12.7393 12.7419 12.7419 14.1223 14.1223 14.1236 14.1236 k =-0.4879 0.2265 0.7355 ( 2328 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7458 -9.7458 -9.7418 -9.7418 -9.2675 -9.2675 -9.2521 -9.2521 -8.9923 -8.9923 -8.9806 -8.9806 3.4619 3.4619 3.4632 3.4632 7.9572 7.9572 7.9582 7.9582 11.0220 11.0220 11.0233 11.0233 12.7126 12.7126 12.7143 12.7143 14.2161 14.2161 14.2176 14.2176 k =-0.4939 0.2110 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7451 -9.7451 -9.7432 -9.7432 -9.2630 -9.2630 -9.2553 -9.2553 -8.9892 -8.9892 -8.9833 -8.9833 3.4612 3.4612 3.4619 3.4619 7.9566 7.9566 7.9571 7.9571 11.0357 11.0357 11.0363 11.0363 12.6963 12.6963 12.6972 12.6972 14.2958 14.2958 14.2970 14.2970 k =-0.5000 0.1955 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7443 -9.7443 -9.7443 -9.7443 -9.2589 -9.2589 -9.2589 -9.2589 -8.9861 -8.9861 -8.9861 -8.9861 3.4612 3.4612 3.4612 3.4612 7.9565 7.9565 7.9565 7.9565 11.0405 11.0405 11.0405 11.0405 12.6911 12.6911 12.6911 12.6911 14.3322 14.3322 14.3322 14.3322 k =-0.5000 0.1955 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7443 -9.7443 -9.7443 -9.7443 -9.2589 -9.2589 -9.2589 -9.2589 -8.9861 -8.9861 -8.9861 -8.9861 3.4612 3.4612 3.4612 3.4612 7.9565 7.9565 7.9565 7.9565 11.0405 11.0405 11.0405 11.0405 12.6911 12.6911 12.6911 12.6911 14.3322 14.3322 14.3322 14.3322 k =-0.5000 0.1955 0.7192 ( 2320 PWs) bands (ev): -28.0649 -28.0649 -28.0624 -28.0624 -9.7461 -9.7461 -9.7418 -9.7418 -9.2632 -9.2632 -9.2546 -9.2546 -8.9871 -8.9871 -8.9852 -8.9852 3.3521 3.3521 3.5723 3.5723 7.8528 7.8528 8.0609 8.0609 11.0025 11.0025 11.0799 11.0799 12.6103 12.6103 12.7726 12.7726 14.2722 14.2722 14.3953 14.3953 k =-0.5000 0.1955 0.7029 ( 2320 PWs) bands (ev): -28.0663 -28.0663 -28.0612 -28.0612 -9.7474 -9.7474 -9.7387 -9.7387 -9.2676 -9.2676 -9.2503 -9.2503 -8.9882 -8.9882 -8.9844 -8.9844 3.2452 3.2452 3.6853 3.6853 7.7497 7.7497 8.1656 8.1656 10.9659 10.9659 11.1209 11.1209 12.5303 12.5303 12.8546 12.8546 14.2153 14.2153 14.4614 14.4614 k =-0.5000 0.1955 0.6865 ( 2320 PWs) bands (ev): -28.0677 -28.0677 -28.0600 -28.0600 -9.7481 -9.7481 -9.7351 -9.7351 -9.2719 -9.2719 -9.2461 -9.2461 -8.9894 -8.9894 -8.9837 -8.9837 3.1403 3.1403 3.8003 3.8003 7.6476 7.6476 8.2705 8.2705 10.9306 10.9306 11.1636 11.1636 12.4514 12.4514 12.9369 12.9369 14.1618 14.1618 14.5302 14.5302 k =-0.5000 0.1955 0.6702 ( 2320 PWs) bands (ev): -28.0692 -28.0692 -28.0589 -28.0589 -9.7481 -9.7481 -9.7310 -9.7310 -9.2762 -9.2762 -9.2419 -9.2419 -8.9907 -8.9907 -8.9830 -8.9830 3.0376 3.0376 3.9172 3.9172 7.5467 7.5467 8.3754 8.3754 10.8965 10.8965 11.2079 11.2079 12.3737 12.3737 13.0194 13.0194 14.1118 14.1118 14.5574 14.5574 k =-0.5000 0.1955 0.6538 ( 2326 PWs) bands (ev): -28.0707 -28.0707 -28.0579 -28.0579 -9.7477 -9.7477 -9.7264 -9.7264 -9.2805 -9.2805 -9.2378 -9.2378 -8.9921 -8.9921 -8.9825 -8.9825 2.9371 2.9371 4.0358 4.0358 7.4470 7.4470 8.4800 8.4800 10.8634 10.8634 11.2540 11.2540 12.2974 12.2974 13.1018 13.1018 14.0654 14.0654 14.5394 14.5394 k =-0.5000 0.1955 0.6375 ( 2322 PWs) bands (ev): -28.0722 -28.0722 -28.0569 -28.0569 -9.7465 -9.7465 -9.7212 -9.7212 -9.2847 -9.2847 -9.2338 -9.2338 -8.9935 -8.9935 -8.9820 -8.9820 2.8388 2.8388 4.1561 4.1561 7.3489 7.3489 8.5841 8.5841 10.8314 10.8314 11.3021 11.3021 12.2227 12.2227 13.1840 13.1840 14.0226 14.0226 14.5240 14.5240 k =-0.5000 0.1955 0.6211 ( 2318 PWs) bands (ev): -28.0738 -28.0738 -28.0560 -28.0560 -9.7449 -9.7449 -9.7156 -9.7156 -9.2888 -9.2888 -9.2298 -9.2298 -8.9951 -8.9951 -8.9815 -8.9815 2.7427 2.7427 4.2779 4.2779 7.2526 7.2526 8.6874 8.6874 10.8003 10.8003 11.3521 11.3521 12.1499 12.1499 13.2658 13.2658 13.9837 13.9837 14.5109 14.5109 k =-0.5000 0.1955 0.6048 ( 2314 PWs) bands (ev): -28.0755 -28.0755 -28.0551 -28.0551 -9.7426 -9.7426 -9.7095 -9.7095 -9.2928 -9.2928 -9.2259 -9.2259 -8.9968 -8.9968 -8.9811 -8.9811 2.6489 2.6489 4.4011 4.4011 7.1582 7.1582 8.7897 8.7897 10.7700 10.7700 11.4041 11.4041 12.0789 12.0789 13.3472 13.3472 13.9487 13.9487 14.4998 14.4998 k =-0.5000 0.1955 0.5884 ( 2314 PWs) bands (ev): -28.0771 -28.0771 -28.0543 -28.0543 -9.7399 -9.7399 -9.7030 -9.7030 -9.2967 -9.2967 -9.2221 -9.2221 -8.9986 -8.9986 -8.9808 -8.9808 2.5573 2.5573 4.5254 4.5254 7.0662 7.0662 8.8906 8.8906 10.7405 10.7405 11.4582 11.4582 12.0101 12.0101 13.4279 13.4279 13.9176 13.9176 14.4907 14.4907 k =-0.5000 0.1955 0.5721 ( 2314 PWs) bands (ev): -28.0788 -28.0788 -28.0536 -28.0536 -9.7367 -9.7367 -9.6961 -9.6961 -9.3005 -9.3005 -9.2184 -9.2184 -9.0004 -9.0004 -8.9805 -8.9805 2.4681 2.4681 4.6505 4.6505 6.9769 6.9769 8.9898 8.9898 10.7116 10.7116 11.5145 11.5145 11.9435 11.9435 13.5079 13.5079 13.8906 13.8906 14.4831 14.4831 k =-0.5000 0.1955 0.5557 ( 2318 PWs) bands (ev): -28.0805 -28.0805 -28.0529 -28.0529 -9.7330 -9.7330 -9.6889 -9.6889 -9.3041 -9.3041 -9.2148 -9.2148 -9.0024 -9.0024 -8.9802 -8.9802 2.3811 2.3811 4.7760 4.7760 6.8907 6.8907 9.0870 9.0870 10.6834 10.6834 11.5729 11.5729 11.8795 11.8795 13.5871 13.5871 13.8676 13.8676 14.4769 14.4769 k =-0.5000 0.1955 0.5394 ( 2318 PWs) bands (ev): -28.0823 -28.0823 -28.0523 -28.0523 -9.7288 -9.7288 -9.6814 -9.6814 -9.3075 -9.3075 -9.2113 -9.2113 -9.0045 -9.0045 -8.9800 -8.9800 2.2965 2.2965 4.9014 4.9014 6.8084 6.8084 9.1818 9.1818 10.6557 10.6557 11.6336 11.6336 11.8181 11.8181 13.6654 13.6654 13.8487 13.8487 14.4719 14.4719 k =-0.5000 0.1955 0.5231 ( 2314 PWs) bands (ev): -28.0840 -28.0840 -28.0517 -28.0517 -9.7242 -9.7242 -9.6737 -9.6737 -9.3107 -9.3107 -9.2079 -9.2079 -9.0067 -9.0067 -8.9798 -8.9798 2.2142 2.2142 5.0258 5.0258 6.7307 6.7307 9.2738 9.2738 10.6286 10.6286 11.6964 11.6964 11.7598 11.7598 13.7428 13.7428 13.8341 13.8341 14.4680 14.4680 k =-0.5000 0.1955 0.5067 ( 2314 PWs) bands (ev): -28.0858 -28.0858 -28.0511 -28.0511 -9.7192 -9.7192 -9.6657 -9.6657 -9.3136 -9.3136 -9.2045 -9.2045 -9.0090 -9.0090 -8.9796 -8.9796 2.1342 2.1342 5.1480 5.1480 6.6590 6.6590 9.3625 9.3625 10.6019 10.6019 11.7038 11.7038 11.7623 11.7623 13.8172 13.8172 13.8255 13.8255 14.4647 14.4647 k =-0.5000 0.1955 0.4904 ( 2318 PWs) bands (ev): -28.0875 -28.0875 -28.0507 -28.0507 -9.7139 -9.7139 -9.6576 -9.6576 -9.3163 -9.3163 -9.2014 -9.2014 -9.0115 -9.0115 -8.9794 -8.9794 2.0567 2.0567 5.2661 5.2661 6.5951 6.5951 9.4474 9.4474 10.5757 10.5757 11.6518 11.6518 11.8298 11.8298 13.8166 13.8166 13.8953 13.8953 14.4623 14.4623 k =-0.5000 0.1955 0.4740 ( 2316 PWs) bands (ev): -28.0893 -28.0893 -28.0502 -28.0502 -9.7082 -9.7082 -9.6494 -9.6494 -9.3186 -9.3186 -9.1982 -9.1982 -9.0140 -9.0140 -8.9792 -8.9792 1.9815 1.9815 5.3773 5.3773 6.5420 6.5420 9.5282 9.5282 10.5499 10.5499 11.6030 11.6030 11.8998 11.8998 13.8142 13.8142 13.9698 13.9698 14.4606 14.4606 k =-0.5000 0.1955 0.4577 ( 2312 PWs) bands (ev): -28.0911 -28.0911 -28.0499 -28.0499 -9.7023 -9.7023 -9.6411 -9.6411 -9.3207 -9.3207 -9.1952 -9.1952 -9.0166 -9.0166 -8.9790 -8.9790 1.9087 1.9087 5.4773 5.4773 6.5040 6.5040 9.6043 9.6043 10.5246 10.5246 11.5579 11.5579 11.9723 11.9723 13.8158 13.8158 14.0434 14.0434 14.4596 14.4596 k =-0.5000 0.1955 0.4413 ( 2316 PWs) bands (ev): -28.0928 -28.0928 -28.0495 -28.0495 -9.6962 -9.6962 -9.6328 -9.6328 -9.3223 -9.3223 -9.1924 -9.1924 -9.0193 -9.0193 -8.9788 -8.9788 1.8383 1.8383 5.5603 5.5603 6.4868 6.4868 9.6752 9.6752 10.4997 10.4997 11.5166 11.5166 12.0472 12.0472 13.8214 13.8214 14.1157 14.1157 14.4595 14.4595 k =-0.5000 0.1955 0.4250 ( 2316 PWs) bands (ev): -28.0946 -28.0946 -28.0493 -28.0493 -9.6899 -9.6899 -9.6245 -9.6245 -9.3236 -9.3236 -9.1896 -9.1896 -9.0221 -9.0221 -8.9785 -8.9785 1.7703 1.7703 5.6199 5.6199 6.4969 6.4969 9.7405 9.7405 10.4752 10.4752 11.4792 11.4792 12.1246 12.1246 13.8308 13.8308 14.1867 14.1867 14.4604 14.4604 k =-0.5000 0.1955 0.4086 ( 2316 PWs) bands (ev): -28.0963 -28.0963 -28.0490 -28.0490 -9.6835 -9.6835 -9.6164 -9.6164 -9.3245 -9.3245 -9.1868 -9.1868 -9.0250 -9.0250 -8.9782 -8.9782 1.7048 1.7048 5.6520 5.6520 6.5385 6.5385 9.7998 9.7998 10.4512 10.4512 11.4458 11.4458 12.2044 12.2044 13.8441 13.8441 14.2557 14.2557 14.4627 14.4627 k =-0.5000 0.1955 0.3923 ( 2306 PWs) bands (ev): -28.0981 -28.0981 -28.0488 -28.0488 -9.6769 -9.6769 -9.6083 -9.6083 -9.3249 -9.3249 -9.1842 -9.1842 -9.0280 -9.0280 -8.9778 -8.9778 1.6417 1.6417 5.6578 5.6578 6.6103 6.6103 9.8528 9.8528 10.4276 10.4276 11.4164 11.4164 12.2867 12.2867 13.8610 13.8610 14.3215 14.3215 14.4668 14.4668 k =-0.5000 0.1955 0.3759 ( 2308 PWs) bands (ev): -28.0998 -28.0998 -28.0486 -28.0486 -9.6705 -9.6705 -9.6005 -9.6005 -9.3249 -9.3249 -9.1817 -9.1817 -9.0311 -9.0311 -8.9774 -8.9774 1.5811 1.5811 5.6428 5.6428 6.7068 6.7068 9.8992 9.8992 10.4046 10.4046 11.3910 11.3910 12.3715 12.3715 13.8814 13.8814 14.3812 14.3812 14.4732 14.4732 k =-0.5000 0.1955 0.3596 ( 2300 PWs) bands (ev): -28.1014 -28.1014 -28.0485 -28.0485 -9.6641 -9.6641 -9.5928 -9.5928 -9.3244 -9.3244 -9.1791 -9.1791 -9.0343 -9.0343 -8.9769 -8.9769 1.5230 1.5230 5.6135 5.6135 6.8215 6.8215 9.9391 9.9391 10.3820 10.3820 11.3693 11.3693 12.4587 12.4587 13.9052 13.9052 14.4259 14.4259 14.4824 14.4824 k =-0.5000 0.1955 0.3433 ( 2304 PWs) bands (ev): -28.1030 -28.1030 -28.0484 -28.0484 -9.6578 -9.6578 -9.5854 -9.5854 -9.3235 -9.3235 -9.1768 -9.1768 -9.0376 -9.0376 -8.9764 -8.9764 1.4673 1.4673 5.5754 5.5754 6.9489 6.9489 9.9724 9.9724 10.3601 10.3601 11.3511 11.3511 12.5483 12.5483 13.9322 13.9322 14.4286 14.4286 14.4943 14.4943 k =-0.5000 0.1955 0.3269 ( 2308 PWs) bands (ev): -28.1046 -28.1046 -28.0483 -28.0483 -9.6517 -9.6517 -9.5782 -9.5782 -9.3221 -9.3221 -9.1744 -9.1744 -9.0411 -9.0411 -8.9759 -8.9759 1.4141 1.4141 5.5321 5.5321 7.0852 7.0852 9.9994 9.9994 10.3387 10.3387 11.3360 11.3360 12.6403 12.6403 13.9622 13.9622 14.3548 14.3548 14.5096 14.5096 k =-0.5000 0.1955 0.3106 ( 2316 PWs) bands (ev): -28.1062 -28.1062 -28.0482 -28.0482 -9.6459 -9.6459 -9.5712 -9.5712 -9.3204 -9.3204 -9.1722 -9.1722 -9.0446 -9.0446 -8.9753 -8.9753 1.3634 1.3634 5.4863 5.4863 7.2280 7.2280 10.0205 10.0205 10.3180 10.3180 11.3235 11.3235 12.7348 12.7348 13.9950 13.9950 14.2298 14.2298 14.5290 14.5290 k =-0.5000 0.1955 0.2942 ( 2324 PWs) bands (ev): -28.1077 -28.1077 -28.0482 -28.0482 -9.6404 -9.6404 -9.5645 -9.5645 -9.3182 -9.3182 -9.1700 -9.1700 -9.0482 -9.0482 -8.9747 -8.9747 1.3153 1.3153 5.4395 5.4395 7.3753 7.3753 10.0363 10.0363 10.2981 10.2981 11.3131 11.3131 12.8315 12.8315 14.0304 14.0304 14.0861 14.0861 14.5527 14.5527 k =-0.5000 0.1955 0.2779 ( 2324 PWs) bands (ev): -28.1092 -28.1092 -28.0482 -28.0482 -9.6351 -9.6351 -9.5580 -9.5580 -9.3156 -9.3156 -9.1678 -9.1678 -9.0518 -9.0518 -8.9740 -8.9740 1.2696 1.2696 5.3928 5.3928 7.5262 7.5262 10.0472 10.0472 10.2788 10.2788 11.3044 11.3044 12.9306 12.9306 13.9350 13.9350 14.0682 14.0682 14.5808 14.5808 k =-0.5000 0.1955 0.2615 ( 2334 PWs) bands (ev): -28.1106 -28.1106 -28.0482 -28.0482 -9.6303 -9.6303 -9.5518 -9.5518 -9.3127 -9.3127 -9.1656 -9.1656 -9.0556 -9.0556 -8.9732 -8.9732 1.2265 1.2265 5.3470 5.3470 7.6795 7.6795 10.0540 10.0540 10.2604 10.2604 11.2968 11.2968 13.0321 13.0321 13.7806 13.7806 14.1079 14.1079 14.6131 14.6131 k =-0.5000 0.1955 0.2452 ( 2342 PWs) bands (ev): -28.1119 -28.1119 -28.0482 -28.0482 -9.6259 -9.6259 -9.5459 -9.5459 -9.3095 -9.3095 -9.1635 -9.1635 -9.0595 -9.0595 -8.9725 -8.9725 1.1860 1.1860 5.3026 5.3026 7.8346 7.8346 10.0573 10.0573 10.2428 10.2428 11.2900 11.2900 13.1358 13.1358 13.6242 13.6242 14.1494 14.1494 14.6496 14.6496 k =-0.5000 0.1955 0.2288 ( 2342 PWs) bands (ev): -28.1131 -28.1131 -28.0483 -28.0483 -9.6218 -9.6218 -9.5401 -9.5401 -9.3062 -9.3062 -9.1613 -9.1613 -9.0634 -9.0634 -8.9716 -8.9716 1.1480 1.1480 5.2601 5.2601 7.9910 7.9910 10.0577 10.0577 10.2261 10.2261 11.2835 11.2835 13.2416 13.2416 13.4670 13.4670 14.1922 14.1922 14.6899 14.6899 k =-0.5000 0.1955 0.2125 ( 2344 PWs) bands (ev): -28.1143 -28.1143 -28.0483 -28.0483 -9.6182 -9.6182 -9.5346 -9.5346 -9.3026 -9.3026 -9.1590 -9.1590 -9.0674 -9.0674 -8.9707 -8.9707 1.1126 1.1126 5.2197 5.2197 8.1479 8.1479 10.0559 10.0559 10.2104 10.2104 11.2773 11.2773 13.3078 13.3078 13.3511 13.3511 14.2360 14.2360 14.7336 14.7336 k =-0.5000 0.1955 0.1961 ( 2352 PWs) bands (ev): -28.1155 -28.1155 -28.0484 -28.0484 -9.6150 -9.6150 -9.5294 -9.5294 -9.2990 -9.2990 -9.1568 -9.1568 -9.0714 -9.0714 -8.9698 -8.9698 1.0797 1.0797 5.1816 5.1816 8.3047 8.3047 10.0523 10.0523 10.1956 10.1956 11.2710 11.2710 13.1512 13.1512 13.4603 13.4603 14.2804 14.2804 14.7802 14.7802 k =-0.5000 0.1955 0.1798 ( 2356 PWs) bands (ev): -28.1165 -28.1165 -28.0484 -28.0484 -9.6122 -9.6122 -9.5245 -9.5245 -9.2954 -9.2954 -9.1545 -9.1545 -9.0755 -9.0755 -8.9689 -8.9689 1.0495 1.0495 5.1461 5.1461 8.4608 8.4608 10.0476 10.0476 10.1819 10.1819 11.2647 11.2647 12.9945 12.9945 13.5724 13.5724 14.3248 14.3248 14.8289 14.8289 k =-0.5000 0.1955 0.1635 ( 2358 PWs) bands (ev): -28.1175 -28.1175 -28.0485 -28.0485 -9.6098 -9.6098 -9.5199 -9.5199 -9.2918 -9.2918 -9.1520 -9.1520 -9.0797 -9.0797 -8.9680 -8.9680 1.0218 1.0218 5.1133 5.1133 8.6155 8.6155 10.0421 10.0421 10.1692 10.1692 11.2584 11.2584 12.8394 12.8394 13.6865 13.6865 14.3688 14.3688 14.8790 14.8790 k =-0.5000 0.1955 0.1471 ( 2358 PWs) bands (ev): -28.1184 -28.1184 -28.0485 -28.0485 -9.6077 -9.6077 -9.5156 -9.5156 -9.2883 -9.2883 -9.1495 -9.1495 -9.0839 -9.0839 -8.9672 -8.9672 0.9968 0.9968 5.0834 5.0834 8.7676 8.7676 10.0362 10.0362 10.1576 10.1576 11.2521 11.2521 12.6868 12.6868 13.8025 13.8025 14.4117 14.4117 14.9296 14.9296 k =-0.5000 0.1955 0.1308 ( 2354 PWs) bands (ev): -28.1192 -28.1192 -28.0486 -28.0486 -9.6060 -9.6060 -9.5116 -9.5116 -9.2850 -9.2850 -9.1469 -9.1469 -9.0880 -9.0880 -8.9663 -8.9663 0.9744 0.9744 5.0563 5.0563 8.9161 8.9161 10.0301 10.0301 10.1471 10.1471 11.2460 11.2460 12.5379 12.5379 13.9202 13.9202 14.4530 14.4530 14.9796 14.9796 k =-0.5000 0.1955 0.1144 ( 2354 PWs) bands (ev): -28.1199 -28.1199 -28.0486 -28.0486 -9.6045 -9.6045 -9.5081 -9.5081 -9.2820 -9.2820 -9.1441 -9.1441 -9.0922 -9.0922 -8.9655 -8.9655 0.9546 0.9546 5.0323 5.0323 9.0595 9.0595 10.0243 10.0243 10.1378 10.1378 11.2401 11.2401 12.3942 12.3942 14.0395 14.0395 14.4920 14.4920 15.0279 15.0279 k =-0.5000 0.1955 0.0981 ( 2352 PWs) bands (ev): -28.1205 -28.1205 -28.0487 -28.0487 -9.6033 -9.6033 -9.5049 -9.5049 -9.2792 -9.2792 -9.1412 -9.1412 -9.0964 -9.0964 -8.9648 -8.9648 0.9374 0.9374 5.0113 5.0113 9.1956 9.1956 10.0188 10.0188 10.1297 10.1297 11.2347 11.2347 12.2576 12.2576 14.1602 14.1602 14.5279 14.5279 15.0733 15.0733 k =-0.5000 0.1955 0.0817 ( 2352 PWs) bands (ev): -28.1210 -28.1210 -28.0487 -28.0487 -9.6023 -9.6023 -9.5022 -9.5022 -9.2768 -9.2768 -9.1382 -9.1382 -9.1006 -9.1006 -8.9641 -8.9641 0.9228 0.9228 4.9935 4.9935 9.3219 9.3219 10.0139 10.0139 10.1228 10.1228 11.2298 11.2298 12.1309 12.1309 14.2820 14.2820 14.5599 14.5599 15.1147 15.1147 k =-0.5000 0.1955 0.0654 ( 2352 PWs) bands (ev): -28.1214 -28.1214 -28.0487 -28.0487 -9.6015 -9.6015 -9.5000 -9.5000 -9.2748 -9.2748 -9.1350 -9.1350 -9.1048 -9.1048 -8.9636 -8.9636 0.9109 0.9109 4.9788 4.9788 9.4350 9.4350 10.0097 10.0097 10.1171 10.1171 11.2256 11.2256 12.0174 12.0174 14.4047 14.4047 14.5875 14.5875 15.1507 15.1507 k =-0.5000 0.1955 0.0490 ( 2360 PWs) bands (ev): -28.1218 -28.1218 -28.0488 -28.0488 -9.6010 -9.6010 -9.4982 -9.4982 -9.2732 -9.2732 -9.1318 -9.1318 -9.1089 -9.1089 -8.9632 -8.9632 0.9016 0.9016 4.9674 4.9674 9.5309 9.5309 10.0063 10.0063 10.1127 10.1127 11.2222 11.2222 11.9212 11.9212 14.5275 14.5275 14.6097 14.6097 15.1802 15.1802 k =-0.5000 0.1955 0.0327 ( 2370 PWs) bands (ev): -28.1220 -28.1220 -28.0488 -28.0488 -9.6007 -9.6007 -9.4970 -9.4970 -9.2720 -9.2720 -9.1284 -9.1284 -9.1129 -9.1129 -8.9630 -8.9630 0.8950 0.8950 4.9592 4.9592 9.6046 9.6046 10.0039 10.0039 10.1095 10.1095 11.2196 11.2196 11.8472 11.8472 14.6260 14.6260 14.6489 14.6489 15.1898 15.1910 k =-0.5000 0.1955 0.0163 ( 2366 PWs) bands (ev): -28.1222 -28.1222 -28.0488 -28.0488 -9.6004 -9.6004 -9.4962 -9.4962 -9.2713 -9.2713 -9.1249 -9.1249 -9.1167 -9.1167 -8.9627 -8.9627 0.8911 0.8911 4.9543 4.9543 9.6513 9.6513 10.0024 10.0024 10.1076 10.1076 11.2181 11.2181 11.8003 11.8003 14.6361 14.6361 14.7625 14.7625 15.0758 15.0758 k =-0.5000 0.1955 0.0000 ( 2368 PWs) bands (ev): -28.1222 -28.1222 -28.0488 -28.0488 -9.6003 -9.6003 -9.4960 -9.4960 -9.2711 -9.2711 -9.1224 -9.1224 -9.1193 -9.1193 -8.9627 -8.9627 0.8897 0.8897 4.9526 4.9526 9.6674 9.6674 10.0020 10.0020 10.1070 10.1070 11.2176 11.2176 11.7842 11.7842 14.6395 14.6395 14.8282 14.8282 15.0099 15.0099 k = 0.0000 0.0000 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6047 -9.6047 -9.6047 -9.6047 -9.2505 -9.2505 -9.2505 -9.2505 -9.1312 -9.1312 -9.1312 -9.1312 3.1887 3.1887 3.1887 3.1887 8.8859 8.8859 8.8859 8.8859 10.4975 10.4975 10.4975 10.4975 11.2815 11.2815 11.2815 11.2815 16.4544 16.4544 16.4544 16.4545 k =-0.0152 0.0059 0.7355 ( 2338 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6051 -9.6051 -9.6051 -9.6051 -9.2505 -9.2505 -9.2505 -9.2505 -9.1308 -9.1308 -9.1308 -9.1308 3.1893 3.1893 3.1893 3.1893 8.8834 8.8834 8.8834 8.8834 10.4984 10.4984 10.4984 10.4984 11.2843 11.2843 11.2843 11.2843 16.4459 16.4459 16.4459 16.4459 k =-0.0303 0.0119 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6063 -9.6063 -9.6063 -9.6063 -9.2507 -9.2507 -9.2507 -9.2507 -9.1295 -9.1295 -9.1295 -9.1295 3.1910 3.1910 3.1910 3.1910 8.8758 8.8758 8.8758 8.8758 10.5014 10.5014 10.5014 10.5014 11.2927 11.2927 11.2927 11.2927 16.4206 16.4206 16.4206 16.4206 k =-0.0455 0.0178 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6083 -9.6083 -9.6083 -9.6083 -9.2509 -9.2509 -9.2509 -9.2509 -9.1273 -9.1273 -9.1273 -9.1273 3.1937 3.1937 3.1937 3.1937 8.8633 8.8633 8.8633 8.8633 10.5062 10.5062 10.5062 10.5062 11.3067 11.3067 11.3067 11.3067 16.3795 16.3795 16.3795 16.3795 k =-0.0606 0.0237 0.7355 ( 2338 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6110 -9.6110 -9.6110 -9.6110 -9.2512 -9.2512 -9.2512 -9.2512 -9.1242 -9.1242 -9.1242 -9.1242 3.1976 3.1976 3.1976 3.1976 8.8461 8.8461 8.8461 8.8461 10.5130 10.5130 10.5130 10.5130 11.3260 11.3260 11.3260 11.3260 16.3248 16.3248 16.3248 16.3248 k =-0.0758 0.0296 0.7355 ( 2342 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6144 -9.6144 -9.6144 -9.6144 -9.2516 -9.2516 -9.2516 -9.2516 -9.1205 -9.1205 -9.1205 -9.1205 3.2025 3.2025 3.2025 3.2025 8.8245 8.8245 8.8245 8.8245 10.5217 10.5217 10.5217 10.5217 11.3504 11.3504 11.3504 11.3504 16.2587 16.2587 16.2587 16.2587 k =-0.0909 0.0356 0.7355 ( 2346 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6185 -9.6185 -9.6185 -9.6185 -9.2521 -9.2521 -9.2521 -9.2521 -9.1161 -9.1161 -9.1161 -9.1161 3.2084 3.2084 3.2084 3.2084 8.7988 8.7988 8.7988 8.7988 10.5322 10.5322 10.5322 10.5322 11.3796 11.3796 11.3796 11.3796 16.1833 16.1833 16.1834 16.1834 k =-0.1061 0.0415 0.7355 ( 2346 PWs) bands (ev): -28.0641 -28.0641 -28.0641 -28.0641 -9.6232 -9.6232 -9.6232 -9.6232 -9.2525 -9.2525 -9.2525 -9.2525 -9.1111 -9.1111 -9.1111 -9.1111 3.2153 3.2153 3.2153 3.2153 8.7694 8.7694 8.7694 8.7694 10.5445 10.5445 10.5445 10.5445 11.4134 11.4134 11.4134 11.4134 16.1009 16.1009 16.1009 16.1009 k =-0.1212 0.0474 0.7355 ( 2344 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6283 -9.6283 -9.6283 -9.6283 -9.2530 -9.2530 -9.2530 -9.2530 -9.1055 -9.1055 -9.1055 -9.1055 3.2231 3.2231 3.2231 3.2231 8.7368 8.7368 8.7368 8.7368 10.5585 10.5585 10.5585 10.5585 11.4513 11.4513 11.4513 11.4513 16.0132 16.0132 16.0132 16.0132 k =-0.1364 0.0533 0.7355 ( 2344 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6339 -9.6339 -9.6339 -9.6339 -9.2535 -9.2535 -9.2535 -9.2535 -9.0996 -9.0996 -9.0996 -9.0996 3.2318 3.2318 3.2318 3.2318 8.7013 8.7013 8.7013 8.7013 10.5742 10.5742 10.5742 10.5742 11.4932 11.4932 11.4932 11.4932 15.9215 15.9215 15.9215 15.9215 k =-0.1515 0.0593 0.7355 ( 2344 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6398 -9.6398 -9.6398 -9.6398 -9.2540 -9.2540 -9.2540 -9.2540 -9.0933 -9.0933 -9.0933 -9.0933 3.2413 3.2413 3.2413 3.2413 8.6635 8.6635 8.6635 8.6635 10.5916 10.5916 10.5916 10.5916 11.5386 11.5386 11.5386 11.5386 15.8272 15.8272 15.8272 15.8272 k =-0.1667 0.0652 0.7355 ( 2344 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6460 -9.6460 -9.6460 -9.6460 -9.2544 -9.2544 -9.2544 -9.2544 -9.0867 -9.0867 -9.0867 -9.0867 3.2516 3.2516 3.2516 3.2516 8.6236 8.6236 8.6236 8.6236 10.6104 10.6104 10.6104 10.6104 11.5872 11.5872 11.5872 11.5872 15.7313 15.7313 15.7313 15.7313 k =-0.1818 0.0711 0.7355 ( 2348 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6525 -9.6525 -9.6525 -9.6525 -9.2549 -9.2549 -9.2549 -9.2549 -9.0800 -9.0800 -9.0800 -9.0800 3.2625 3.2625 3.2625 3.2625 8.5822 8.5822 8.5822 8.5822 10.6306 10.6306 10.6306 10.6306 11.6387 11.6387 11.6387 11.6387 15.6346 15.6346 15.6346 15.6346 k =-0.1970 0.0770 0.7355 ( 2348 PWs) bands (ev): -28.0640 -28.0640 -28.0640 -28.0640 -9.6590 -9.6590 -9.6590 -9.6590 -9.2553 -9.2553 -9.2553 -9.2553 -9.0732 -9.0732 -9.0732 -9.0732 3.2740 3.2740 3.2740 3.2740 8.5396 8.5396 8.5396 8.5396 10.6521 10.6521 10.6521 10.6521 11.6928 11.6928 11.6928 11.6928 15.5380 15.5380 15.5380 15.5380 k =-0.2121 0.0830 0.7355 ( 2352 PWs) bands (ev): -28.0639 -28.0639 -28.0639 -28.0639 -9.6657 -9.6657 -9.6657 -9.6657 -9.2557 -9.2557 -9.2557 -9.2557 -9.0663 -9.0663 -9.0663 -9.0663 3.2861 3.2861 3.2861 3.2861 8.4964 8.4964 8.4964 8.4964 10.6748 10.6748 10.6748 10.6748 11.7491 11.7491 11.7491 11.7491 15.4419 15.4419 15.4419 15.4419 k =-0.2273 0.0889 0.7355 ( 2352 PWs) bands (ev): -28.0639 -28.0639 -28.0639 -28.0639 -9.6723 -9.6723 -9.6723 -9.6723 -9.2561 -9.2561 -9.2561 -9.2561 -9.0595 -9.0595 -9.0595 -9.0595 3.2985 3.2985 3.2985 3.2985 8.4528 8.4528 8.4528 8.4528 10.6984 10.6984 10.6984 10.6984 11.8075 11.8075 11.8075 11.8075 15.3471 15.3471 15.3471 15.3471 k =-0.2424 0.0948 0.7355 ( 2354 PWs) bands (ev): -28.0639 -28.0639 -28.0639 -28.0639 -9.6789 -9.6789 -9.6789 -9.6789 -9.2564 -9.2564 -9.2564 -9.2564 -9.0527 -9.0527 -9.0527 -9.0527 3.3112 3.3112 3.3112 3.3112 8.4092 8.4092 8.4092 8.4092 10.7230 10.7230 10.7230 10.7230 11.8676 11.8676 11.8676 11.8676 15.2540 15.2540 15.2540 15.2540 k =-0.2576 0.1007 0.7355 ( 2338 PWs) bands (ev): -28.0639 -28.0639 -28.0639 -28.0639 -9.6854 -9.6854 -9.6854 -9.6854 -9.2566 -9.2566 -9.2566 -9.2566 -9.0460 -9.0460 -9.0460 -9.0460 3.3241 3.3241 3.3241 3.3241 8.3660 8.3660 8.3660 8.3660 10.7482 10.7482 10.7482 10.7482 11.9291 11.9291 11.9291 11.9291 15.1632 15.1632 15.1632 15.1632 k =-0.2727 0.1067 0.7355 ( 2330 PWs) bands (ev): -28.0638 -28.0638 -28.0638 -28.0638 -9.6917 -9.6917 -9.6917 -9.6917 -9.2569 -9.2569 -9.2569 -9.2569 -9.0395 -9.0395 -9.0395 -9.0395 3.3371 3.3371 3.3371 3.3371 8.3235 8.3235 8.3235 8.3235 10.7739 10.7739 10.7739 10.7739 11.9916 11.9916 11.9916 11.9916 15.0749 15.0749 15.0749 15.0749 k =-0.2879 0.1126 0.7355 ( 2334 PWs) bands (ev): -28.0638 -28.0638 -28.0638 -28.0638 -9.6978 -9.6978 -9.6978 -9.6978 -9.2572 -9.2572 -9.2572 -9.2572 -9.0332 -9.0332 -9.0332 -9.0332 3.3500 3.3500 3.3500 3.3500 8.2821 8.2821 8.2821 8.2821 10.7998 10.7998 10.7998 10.7998 12.0549 12.0549 12.0549 12.0549 14.9896 14.9896 14.9896 14.9896 k =-0.3030 0.1185 0.7355 ( 2332 PWs) bands (ev): -28.0638 -28.0638 -28.0638 -28.0638 -9.7037 -9.7037 -9.7037 -9.7037 -9.2574 -9.2574 -9.2574 -9.2574 -9.0272 -9.0272 -9.0272 -9.0272 3.3628 3.3628 3.3628 3.3628 8.2420 8.2420 8.2420 8.2420 10.8257 10.8257 10.8257 10.8257 12.1185 12.1185 12.1185 12.1185 14.9079 14.9079 14.9079 14.9079 k =-0.3182 0.1244 0.7355 ( 2326 PWs) bands (ev): -28.0638 -28.0638 -28.0638 -28.0638 -9.7093 -9.7093 -9.7093 -9.7093 -9.2577 -9.2577 -9.2577 -9.2577 -9.0215 -9.0215 -9.0215 -9.0215 3.3752 3.3752 3.3752 3.3752 8.2036 8.2036 8.2036 8.2036 10.8515 10.8515 10.8515 10.8515 12.1821 12.1821 12.1821 12.1821 14.8300 14.8300 14.8300 14.8300 k =-0.3333 0.1304 0.7355 ( 2332 PWs) bands (ev): -28.0638 -28.0638 -28.0638 -28.0638 -9.7146 -9.7146 -9.7146 -9.7146 -9.2579 -9.2579 -9.2579 -9.2579 -9.0162 -9.0162 -9.0162 -9.0162 3.3873 3.3873 3.3873 3.3873 8.1671 8.1671 8.1671 8.1671 10.8767 10.8767 10.8767 10.8767 12.2451 12.2451 12.2451 12.2451 14.7563 14.7563 14.7563 14.7563 k =-0.3485 0.1363 0.7355 ( 2328 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7195 -9.7195 -9.7195 -9.7195 -9.2581 -9.2581 -9.2581 -9.2581 -9.0112 -9.0112 -9.0112 -9.0112 3.3988 3.3988 3.3988 3.3988 8.1329 8.1329 8.1329 8.1329 10.9012 10.9012 10.9012 10.9012 12.3071 12.3071 12.3071 12.3071 14.6873 14.6873 14.6873 14.6873 k =-0.3636 0.1422 0.7355 ( 2322 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7240 -9.7240 -9.7240 -9.7240 -9.2582 -9.2582 -9.2582 -9.2582 -9.0065 -9.0065 -9.0065 -9.0065 3.4097 3.4097 3.4097 3.4097 8.1011 8.1011 8.1011 8.1011 10.9246 10.9246 10.9246 10.9246 12.3674 12.3674 12.3674 12.3674 14.6234 14.6234 14.6234 14.6234 k =-0.3788 0.1481 0.7355 ( 2318 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7281 -9.7281 -9.7281 -9.7281 -9.2584 -9.2584 -9.2584 -9.2584 -9.0024 -9.0024 -9.0024 -9.0024 3.4198 3.4198 3.4198 3.4198 8.0720 8.0720 8.0720 8.0720 10.9467 10.9467 10.9467 10.9467 12.4253 12.4253 12.4253 12.4253 14.5649 14.5649 14.5649 14.5649 k =-0.3939 0.1541 0.7355 ( 2322 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7318 -9.7318 -9.7318 -9.7318 -9.2585 -9.2585 -9.2585 -9.2585 -8.9987 -8.9987 -8.9987 -8.9987 3.4290 3.4290 3.4290 3.4290 8.0457 8.0457 8.0457 8.0457 10.9671 10.9671 10.9671 10.9671 12.4800 12.4800 12.4800 12.4800 14.5122 14.5122 14.5122 14.5122 k =-0.4091 0.1600 0.7355 ( 2322 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7351 -9.7351 -9.7351 -9.7351 -9.2586 -9.2586 -9.2586 -9.2586 -8.9954 -8.9954 -8.9954 -8.9954 3.4372 3.4372 3.4372 3.4372 8.0226 8.0226 8.0226 8.0226 10.9855 10.9855 10.9855 10.9855 12.5307 12.5307 12.5307 12.5307 14.4656 14.4656 14.4656 14.4656 k =-0.4242 0.1659 0.7355 ( 2322 PWs) bands (ev): -28.0637 -28.0637 -28.0637 -28.0637 -9.7378 -9.7378 -9.7378 -9.7378 -9.2587 -9.2587 -9.2587 -9.2587 -8.9926 -8.9926 -8.9926 -8.9926 3.4444 3.4444 3.4444 3.4444 8.0027 8.0027 8.0027 8.0027 11.0017 11.0017 11.0017 11.0017 12.5763 12.5763 12.5763 12.5763 14.4256 14.4256 14.4256 14.4256 k =-0.4394 0.1718 0.7355 ( 2322 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7401 -9.7401 -9.7401 -9.7401 -9.2588 -9.2588 -9.2588 -9.2588 -8.9903 -8.9903 -8.9903 -8.9903 3.4503 3.4503 3.4503 3.4503 7.9863 7.9863 7.9863 7.9863 11.0153 11.0153 11.0153 11.0153 12.6156 12.6156 12.6156 12.6156 14.3924 14.3924 14.3924 14.3924 k =-0.4545 0.1778 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7419 -9.7419 -9.7419 -9.7419 -9.2589 -9.2589 -9.2589 -9.2589 -8.9885 -8.9885 -8.9885 -8.9885 3.4550 3.4550 3.4550 3.4550 7.9733 7.9733 7.9733 7.9733 11.0262 11.0262 11.0262 11.0262 12.6477 12.6477 12.6477 12.6477 14.3662 14.3662 14.3662 14.3662 k =-0.4697 0.1837 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7432 -9.7432 -9.7432 -9.7432 -9.2589 -9.2589 -9.2589 -9.2589 -8.9872 -8.9872 -8.9872 -8.9872 3.4584 3.4584 3.4584 3.4584 7.9640 7.9640 7.9640 7.9640 11.0341 11.0341 11.0341 11.0341 12.6715 12.6715 12.6715 12.6715 14.3474 14.3474 14.3474 14.3474 k =-0.4848 0.1896 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7440 -9.7440 -9.7440 -9.7440 -9.2589 -9.2589 -9.2589 -9.2589 -8.9864 -8.9864 -8.9864 -8.9864 3.4605 3.4605 3.4605 3.4605 7.9584 7.9584 7.9584 7.9584 11.0389 11.0389 11.0389 11.0389 12.6861 12.6861 12.6861 12.6861 14.3360 14.3360 14.3360 14.3360 k =-0.5000 0.1955 0.7355 ( 2324 PWs) bands (ev): -28.0636 -28.0636 -28.0636 -28.0636 -9.7443 -9.7443 -9.7443 -9.7443 -9.2589 -9.2589 -9.2589 -9.2589 -8.9861 -8.9861 -8.9861 -8.9861 3.4612 3.4612 3.4612 3.4612 7.9565 7.9565 7.9565 7.9565 11.0405 11.0405 11.0405 11.0405 12.6911 12.6911 12.6911 12.6911 14.3322 14.3322 14.3322 14.3322 Writing output data file CaSi.save init_run : 0.31s CPU 0.73s WALL ( 1 calls) electrons : 189.42s CPU 194.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 189.41s CPU 194.80s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.06s WALL ( 460 calls) cegterg : 179.82s CPU 182.78s WALL ( 1140 calls) Called by sum_band: Called by *egterg: h_psi : 84.84s CPU 86.57s WALL ( 19738 calls) s_psi : 6.50s CPU 6.71s WALL ( 19738 calls) g_psi : 0.22s CPU 0.21s WALL ( 18138 calls) cdiaghg : 81.34s CPU 82.77s WALL ( 18598 calls) cegterg:over : 5.03s CPU 5.01s WALL ( 18138 calls) cegterg:upda : 3.71s CPU 3.62s WALL ( 18138 calls) cegterg:last : 1.98s CPU 1.98s WALL ( 2654 calls) cdiaghg:chol : 4.17s CPU 4.21s WALL ( 18598 calls) cdiaghg:inve : 2.16s CPU 2.28s WALL ( 18598 calls) cdiaghg:para : 4.61s CPU 4.73s WALL ( 37196 calls) Called by h_psi: h_psi:vloc : 71.40s CPU 72.71s WALL ( 19738 calls) h_psi:vnl : 13.35s CPU 13.71s WALL ( 19738 calls) add_vuspsi : 7.38s CPU 7.60s WALL ( 19738 calls) General routines calbec : 5.91s CPU 6.06s WALL ( 19738 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.56s CPU 68.75s WALL ( 1184000 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.40s WALL ( 920 calls) Parallel routines fft_scatter : 26.07s CPU 26.67s WALL ( 1184023 calls) PWSCF : 3m22.68s CPU 3m56.36s WALL This run was terminated on: 16:34:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=