Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:31:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 34 10 1700 1272 202 Max 43 35 11 1705 1289 209 Sum 1359 1119 333 54445 40993 6557 bravais-lattice index = 14 lattice parameter (alat) = 6.5139 a.u. unit-cell volume = 553.1046 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.513885 celldm(2)= 1.245141 celldm(3)= 1.607195 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.245141 0.000000 ) a(3) = ( 0.000000 0.000000 1.607195 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.803122 -0.000000 ) b(3) = ( 0.000000 0.000000 0.622202 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6225704 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8035973 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6225704 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8035973 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6225704 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8035973 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6225704 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8035973 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 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) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0978261 -0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0021739 k( 12) = ( 0.1195652 -0.0000000 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0021739 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0021739 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0021739 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0021739 k( 34) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0021739 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0021739 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0021739 k( 46) = ( 0.4891304 -0.0000000 -0.0000000), wk = 0.0021739 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.5000000 0.0108530 -0.0000000), wk = 0.0021739 k( 50) = ( 0.5000000 0.0217060 -0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0325590 -0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0434120 -0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0542650 -0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0651180 -0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0759710 -0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0868240 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0976770 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.1085300 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.1193830 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1302360 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1410890 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1519420 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1627950 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1736480 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1845010 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1953540 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.2062070 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2170600 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2279130 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2387660 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.2496190 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.2604720 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2713250 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2821780 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.2930310 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.3038840 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.3147370 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.3255900 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.3364430 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.3472960 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.3581490 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.3690020 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.3798550 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.3907080 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.4015610 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.4015610 -0.0000000), wk = 0.0021739 k( 87) = ( 0.4891304 0.4015610 -0.0000000), wk = 0.0021739 k( 88) = ( 0.4782609 0.4015610 -0.0000000), wk = 0.0021739 k( 89) = ( 0.4673913 0.4015610 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4565217 0.4015610 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4456522 0.4015610 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4347826 0.4015610 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4239130 0.4015610 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4130435 0.4015610 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4021739 0.4015610 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3913044 0.4015610 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3804348 0.4015610 -0.0000000), wk = 0.0021739 k( 98) = ( 0.3695652 0.4015610 -0.0000000), wk = 0.0021739 k( 99) = ( 0.3586956 0.4015610 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3478261 0.4015610 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3369565 0.4015610 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3260870 0.4015610 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3152174 0.4015610 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3043478 0.4015610 -0.0000000), wk = 0.0021739 k( 105) = ( 0.2934783 0.4015610 -0.0000000), wk = 0.0021739 k( 106) = ( 0.2826087 0.4015610 -0.0000000), wk = 0.0021739 k( 107) = ( 0.2717391 0.4015610 -0.0000000), wk = 0.0021739 k( 108) = ( 0.2608696 0.4015610 -0.0000000), wk = 0.0021739 k( 109) = ( 0.2500000 0.4015610 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2391304 0.4015610 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2282609 0.4015610 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2173913 0.4015610 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2065217 0.4015610 -0.0000000), wk = 0.0021739 k( 114) = ( 0.1956522 0.4015610 -0.0000000), wk = 0.0021739 k( 115) = ( 0.1847826 0.4015610 -0.0000000), wk = 0.0021739 k( 116) = ( 0.1739130 0.4015610 -0.0000000), wk = 0.0021739 k( 117) = ( 0.1630435 0.4015610 -0.0000000), wk = 0.0021739 k( 118) = ( 0.1521739 0.4015610 -0.0000000), wk = 0.0021739 k( 119) = ( 0.1413043 0.4015610 -0.0000000), wk = 0.0021739 k( 120) = ( 0.1304348 0.4015610 -0.0000000), wk = 0.0021739 k( 121) = ( 0.1195652 0.4015610 -0.0000000), wk = 0.0021739 k( 122) = ( 0.1086957 0.4015610 -0.0000000), wk = 0.0021739 k( 123) = ( 0.0978261 0.4015610 -0.0000000), wk = 0.0021739 k( 124) = ( 0.0869565 0.4015610 -0.0000000), wk = 0.0021739 k( 125) = ( 0.0760870 0.4015610 -0.0000000), wk = 0.0021739 k( 126) = ( 0.0652174 0.4015610 -0.0000000), wk = 0.0021739 k( 127) = ( 0.0543478 0.4015610 -0.0000000), wk = 0.0021739 k( 128) = ( 0.0434783 0.4015610 -0.0000000), wk = 0.0021739 k( 129) = ( 0.0326087 0.4015610 -0.0000000), wk = 0.0021739 k( 130) = ( 0.0217391 0.4015610 -0.0000000), wk = 0.0021739 k( 131) = ( 0.0108696 0.4015610 -0.0000000), wk = 0.0021739 k( 132) = ( 0.0000000 0.4015610 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0000000 0.4015610 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0000000 0.3907080 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0000000 0.3798550 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0000000 0.3690020 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0000000 0.3581490 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0000000 0.3472960 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0000000 0.3364430 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0000000 0.3255900 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0000000 0.3147370 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.3038840 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.2930310 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.2821780 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.2713250 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.2604720 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.2496190 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2387660 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2279130 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2170600 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2062070 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.1953540 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.1845010 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.1736480 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.1627950 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1519420 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1410890 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1302360 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1193830 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1085300 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.0976770 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.0868240 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0759710 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0651180 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0542650 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0434120 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0325590 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0217060 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0108530 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.0107276), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.0214552), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0321829), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0429105), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0536381), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0643657), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0750934), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0858210), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0965486), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1072762), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1180039), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.1287315), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.1394591), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.1501867), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.1609144), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1716420), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1823696), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1930972), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.2038248), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.2145525), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.2252801), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.2360077), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.2467353), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.2574630), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.2681906), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.2789182), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.2896458), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3003735), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3111011), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3111011), wk = 0.0021739 k( 202) = ( 0.0108696 -0.0000000 0.3111011), wk = 0.0021739 k( 203) = ( 0.0217391 -0.0000000 0.3111011), wk = 0.0021739 k( 204) = ( 0.0326087 -0.0000000 0.3111011), wk = 0.0021739 k( 205) = ( 0.0434783 -0.0000000 0.3111011), wk = 0.0021739 k( 206) = ( 0.0543478 -0.0000000 0.3111011), wk = 0.0021739 k( 207) = ( 0.0652174 -0.0000000 0.3111011), wk = 0.0021739 k( 208) = ( 0.0760870 -0.0000000 0.3111011), wk = 0.0021739 k( 209) = ( 0.0869565 -0.0000000 0.3111011), wk = 0.0021739 k( 210) = ( 0.0978261 -0.0000000 0.3111011), wk = 0.0021739 k( 211) = ( 0.1086957 -0.0000000 0.3111011), wk = 0.0021739 k( 212) = ( 0.1195652 -0.0000000 0.3111011), wk = 0.0021739 k( 213) = ( 0.1304348 -0.0000000 0.3111011), wk = 0.0021739 k( 214) = ( 0.1413043 -0.0000000 0.3111011), wk = 0.0021739 k( 215) = ( 0.1521739 -0.0000000 0.3111011), wk = 0.0021739 k( 216) = ( 0.1630435 -0.0000000 0.3111011), wk = 0.0021739 k( 217) = ( 0.1739130 -0.0000000 0.3111011), wk = 0.0021739 k( 218) = ( 0.1847826 -0.0000000 0.3111011), wk = 0.0021739 k( 219) = ( 0.1956522 -0.0000000 0.3111011), wk = 0.0021739 k( 220) = ( 0.2065217 -0.0000000 0.3111011), wk = 0.0021739 k( 221) = ( 0.2173913 -0.0000000 0.3111011), wk = 0.0021739 k( 222) = ( 0.2282609 -0.0000000 0.3111011), wk = 0.0021739 k( 223) = ( 0.2391304 -0.0000000 0.3111011), wk = 0.0021739 k( 224) = ( 0.2500000 -0.0000000 0.3111011), wk = 0.0021739 k( 225) = ( 0.2608696 -0.0000000 0.3111011), wk = 0.0021739 k( 226) = ( 0.2717391 -0.0000000 0.3111011), wk = 0.0021739 k( 227) = ( 0.2826087 -0.0000000 0.3111011), wk = 0.0021739 k( 228) = ( 0.2934783 -0.0000000 0.3111011), wk = 0.0021739 k( 229) = ( 0.3043478 -0.0000000 0.3111011), wk = 0.0021739 k( 230) = ( 0.3152174 -0.0000000 0.3111011), wk = 0.0021739 k( 231) = ( 0.3260870 -0.0000000 0.3111011), wk = 0.0021739 k( 232) = ( 0.3369565 -0.0000000 0.3111011), wk = 0.0021739 k( 233) = ( 0.3478261 -0.0000000 0.3111011), wk = 0.0021739 k( 234) = ( 0.3586956 -0.0000000 0.3111011), wk = 0.0021739 k( 235) = ( 0.3695652 -0.0000000 0.3111011), wk = 0.0021739 k( 236) = ( 0.3804348 -0.0000000 0.3111011), wk = 0.0021739 k( 237) = ( 0.3913044 -0.0000000 0.3111011), wk = 0.0021739 k( 238) = ( 0.4021739 -0.0000000 0.3111011), wk = 0.0021739 k( 239) = ( 0.4130435 -0.0000000 0.3111011), wk = 0.0021739 k( 240) = ( 0.4239130 -0.0000000 0.3111011), wk = 0.0021739 k( 241) = ( 0.4347826 -0.0000000 0.3111011), wk = 0.0021739 k( 242) = ( 0.4456522 -0.0000000 0.3111011), wk = 0.0021739 k( 243) = ( 0.4565217 -0.0000000 0.3111011), wk = 0.0021739 k( 244) = ( 0.4673913 -0.0000000 0.3111011), wk = 0.0021739 k( 245) = ( 0.4782609 -0.0000000 0.3111011), wk = 0.0021739 k( 246) = ( 0.4891304 -0.0000000 0.3111011), wk = 0.0021739 k( 247) = ( 0.5000000 -0.0000000 0.3111011), wk = 0.0021739 k( 248) = ( 0.5000000 -0.0000000 0.3111011), wk = 0.0021739 k( 249) = ( 0.5000000 0.0108530 0.3111011), wk = 0.0021739 k( 250) = ( 0.5000000 0.0217060 0.3111011), wk = 0.0021739 k( 251) = ( 0.5000000 0.0325590 0.3111011), wk = 0.0021739 k( 252) = ( 0.5000000 0.0434120 0.3111011), wk = 0.0021739 k( 253) = ( 0.5000000 0.0542650 0.3111011), wk = 0.0021739 k( 254) = ( 0.5000000 0.0651180 0.3111011), wk = 0.0021739 k( 255) = ( 0.5000000 0.0759710 0.3111011), wk = 0.0021739 k( 256) = ( 0.5000000 0.0868240 0.3111011), wk = 0.0021739 k( 257) = ( 0.5000000 0.0976770 0.3111011), wk = 0.0021739 k( 258) = ( 0.5000000 0.1085300 0.3111011), wk = 0.0021739 k( 259) = ( 0.5000000 0.1193830 0.3111011), wk = 0.0021739 k( 260) = ( 0.5000000 0.1302360 0.3111011), wk = 0.0021739 k( 261) = ( 0.5000000 0.1410890 0.3111011), wk = 0.0021739 k( 262) = ( 0.5000000 0.1519420 0.3111011), wk = 0.0021739 k( 263) = ( 0.5000000 0.1627950 0.3111011), wk = 0.0021739 k( 264) = ( 0.5000000 0.1736480 0.3111011), wk = 0.0021739 k( 265) = ( 0.5000000 0.1845010 0.3111011), wk = 0.0021739 k( 266) = ( 0.5000000 0.1953540 0.3111011), wk = 0.0021739 k( 267) = ( 0.5000000 0.2062070 0.3111011), wk = 0.0021739 k( 268) = ( 0.5000000 0.2170600 0.3111011), wk = 0.0021739 k( 269) = ( 0.5000000 0.2279130 0.3111011), wk = 0.0021739 k( 270) = ( 0.5000000 0.2387660 0.3111011), wk = 0.0021739 k( 271) = ( 0.5000000 0.2496190 0.3111011), wk = 0.0021739 k( 272) = ( 0.5000000 0.2604720 0.3111011), wk = 0.0021739 k( 273) = ( 0.5000000 0.2713250 0.3111011), wk = 0.0021739 k( 274) = ( 0.5000000 0.2821780 0.3111011), wk = 0.0021739 k( 275) = ( 0.5000000 0.2930310 0.3111011), wk = 0.0021739 k( 276) = ( 0.5000000 0.3038840 0.3111011), wk = 0.0021739 k( 277) = ( 0.5000000 0.3147370 0.3111011), wk = 0.0021739 k( 278) = ( 0.5000000 0.3255900 0.3111011), wk = 0.0021739 k( 279) = ( 0.5000000 0.3364430 0.3111011), wk = 0.0021739 k( 280) = ( 0.5000000 0.3472960 0.3111011), wk = 0.0021739 k( 281) = ( 0.5000000 0.3581490 0.3111011), wk = 0.0021739 k( 282) = ( 0.5000000 0.3690020 0.3111011), wk = 0.0021739 k( 283) = ( 0.5000000 0.3798550 0.3111011), wk = 0.0021739 k( 284) = ( 0.5000000 0.3907080 0.3111011), wk = 0.0021739 k( 285) = ( 0.5000000 0.4015610 0.3111011), wk = 0.0021739 k( 286) = ( 0.5000000 0.4015610 0.3111011), wk = 0.0021739 k( 287) = ( 0.4891304 0.4015610 0.3111011), wk = 0.0021739 k( 288) = ( 0.4782609 0.4015610 0.3111011), wk = 0.0021739 k( 289) = ( 0.4673913 0.4015610 0.3111011), wk = 0.0021739 k( 290) = ( 0.4565217 0.4015610 0.3111011), wk = 0.0021739 k( 291) = ( 0.4456522 0.4015610 0.3111011), wk = 0.0021739 k( 292) = ( 0.4347826 0.4015610 0.3111011), wk = 0.0021739 k( 293) = ( 0.4239130 0.4015610 0.3111011), wk = 0.0021739 k( 294) = ( 0.4130435 0.4015610 0.3111011), wk = 0.0021739 k( 295) = ( 0.4021739 0.4015610 0.3111011), wk = 0.0021739 k( 296) = ( 0.3913044 0.4015610 0.3111011), wk = 0.0021739 k( 297) = ( 0.3804348 0.4015610 0.3111011), wk = 0.0021739 k( 298) = ( 0.3695652 0.4015610 0.3111011), wk = 0.0021739 k( 299) = ( 0.3586956 0.4015610 0.3111011), wk = 0.0021739 k( 300) = ( 0.3478261 0.4015610 0.3111011), wk = 0.0021739 k( 301) = ( 0.3369565 0.4015610 0.3111011), wk = 0.0021739 k( 302) = ( 0.3260870 0.4015610 0.3111011), wk = 0.0021739 k( 303) = ( 0.3152174 0.4015610 0.3111011), wk = 0.0021739 k( 304) = ( 0.3043478 0.4015610 0.3111011), wk = 0.0021739 k( 305) = ( 0.2934783 0.4015610 0.3111011), wk = 0.0021739 k( 306) = ( 0.2826087 0.4015610 0.3111011), wk = 0.0021739 k( 307) = ( 0.2717391 0.4015610 0.3111011), wk = 0.0021739 k( 308) = ( 0.2608696 0.4015610 0.3111011), wk = 0.0021739 k( 309) = ( 0.2500000 0.4015610 0.3111011), wk = 0.0021739 k( 310) = ( 0.2391304 0.4015610 0.3111011), wk = 0.0021739 k( 311) = ( 0.2282609 0.4015610 0.3111011), wk = 0.0021739 k( 312) = ( 0.2173913 0.4015610 0.3111011), wk = 0.0021739 k( 313) = ( 0.2065217 0.4015610 0.3111011), wk = 0.0021739 k( 314) = ( 0.1956522 0.4015610 0.3111011), wk = 0.0021739 k( 315) = ( 0.1847826 0.4015610 0.3111011), wk = 0.0021739 k( 316) = ( 0.1739130 0.4015610 0.3111011), wk = 0.0021739 k( 317) = ( 0.1630435 0.4015610 0.3111011), wk = 0.0021739 k( 318) = ( 0.1521739 0.4015610 0.3111011), wk = 0.0021739 k( 319) = ( 0.1413043 0.4015610 0.3111011), wk = 0.0021739 k( 320) = ( 0.1304348 0.4015610 0.3111011), wk = 0.0021739 k( 321) = ( 0.1195652 0.4015610 0.3111011), wk = 0.0021739 k( 322) = ( 0.1086957 0.4015610 0.3111011), wk = 0.0021739 k( 323) = ( 0.0978261 0.4015610 0.3111011), wk = 0.0021739 k( 324) = ( 0.0869565 0.4015610 0.3111011), wk = 0.0021739 k( 325) = ( 0.0760870 0.4015610 0.3111011), wk = 0.0021739 k( 326) = ( 0.0652174 0.4015610 0.3111011), wk = 0.0021739 k( 327) = ( 0.0543478 0.4015610 0.3111011), wk = 0.0021739 k( 328) = ( 0.0434783 0.4015610 0.3111011), wk = 0.0021739 k( 329) = ( 0.0326087 0.4015610 0.3111011), wk = 0.0021739 k( 330) = ( 0.0217391 0.4015610 0.3111011), wk = 0.0021739 k( 331) = ( 0.0108696 0.4015610 0.3111011), wk = 0.0021739 k( 332) = ( 0.0000000 0.4015610 0.3111011), wk = 0.0021739 k( 333) = ( 0.0000000 0.4015610 0.3111011), wk = 0.0021739 k( 334) = ( 0.0000000 0.3907080 0.3111011), wk = 0.0021739 k( 335) = ( 0.0000000 0.3798550 0.3111011), wk = 0.0021739 k( 336) = ( 0.0000000 0.3690020 0.3111011), wk = 0.0021739 k( 337) = ( 0.0000000 0.3581490 0.3111011), wk = 0.0021739 k( 338) = ( 0.0000000 0.3472960 0.3111011), wk = 0.0021739 k( 339) = ( 0.0000000 0.3364430 0.3111011), wk = 0.0021739 k( 340) = ( 0.0000000 0.3255900 0.3111011), wk = 0.0021739 k( 341) = ( 0.0000000 0.3147370 0.3111011), wk = 0.0021739 k( 342) = ( 0.0000000 0.3038840 0.3111011), wk = 0.0021739 k( 343) = ( 0.0000000 0.2930310 0.3111011), wk = 0.0021739 k( 344) = ( 0.0000000 0.2821780 0.3111011), wk = 0.0021739 k( 345) = ( 0.0000000 0.2713250 0.3111011), wk = 0.0021739 k( 346) = ( 0.0000000 0.2604720 0.3111011), wk = 0.0021739 k( 347) = ( 0.0000000 0.2496190 0.3111011), wk = 0.0021739 k( 348) = ( 0.0000000 0.2387660 0.3111011), wk = 0.0021739 k( 349) = ( 0.0000000 0.2279130 0.3111011), wk = 0.0021739 k( 350) = ( 0.0000000 0.2170600 0.3111011), wk = 0.0021739 k( 351) = ( 0.0000000 0.2062070 0.3111011), wk = 0.0021739 k( 352) = ( 0.0000000 0.1953540 0.3111011), wk = 0.0021739 k( 353) = ( 0.0000000 0.1845010 0.3111011), wk = 0.0021739 k( 354) = ( 0.0000000 0.1736480 0.3111011), wk = 0.0021739 k( 355) = ( 0.0000000 0.1627950 0.3111011), wk = 0.0021739 k( 356) = ( 0.0000000 0.1519420 0.3111011), wk = 0.0021739 k( 357) = ( 0.0000000 0.1410890 0.3111011), wk = 0.0021739 k( 358) = ( 0.0000000 0.1302360 0.3111011), wk = 0.0021739 k( 359) = ( 0.0000000 0.1193830 0.3111011), wk = 0.0021739 k( 360) = ( 0.0000000 0.1085300 0.3111011), wk = 0.0021739 k( 361) = ( 0.0000000 0.0976770 0.3111011), wk = 0.0021739 k( 362) = ( 0.0000000 0.0868240 0.3111011), wk = 0.0021739 k( 363) = ( 0.0000000 0.0759710 0.3111011), wk = 0.0021739 k( 364) = ( 0.0000000 0.0651180 0.3111011), wk = 0.0021739 k( 365) = ( 0.0000000 0.0542650 0.3111011), wk = 0.0021739 k( 366) = ( 0.0000000 0.0434120 0.3111011), wk = 0.0021739 k( 367) = ( 0.0000000 0.0325590 0.3111011), wk = 0.0021739 k( 368) = ( 0.0000000 0.0217060 0.3111011), wk = 0.0021739 k( 369) = ( 0.0000000 0.0108530 0.3111011), wk = 0.0021739 k( 370) = ( 0.0000000 0.0000000 0.3111011), wk = 0.0021739 k( 371) = ( 0.0000000 0.4015610 -0.0000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.4015610 0.0107276), wk = 0.0021739 k( 373) = ( 0.0000000 0.4015610 0.0214552), wk = 0.0021739 k( 374) = ( 0.0000000 0.4015610 0.0321829), wk = 0.0021739 k( 375) = ( 0.0000000 0.4015610 0.0429105), wk = 0.0021739 k( 376) = ( 0.0000000 0.4015610 0.0536381), wk = 0.0021739 k( 377) = ( 0.0000000 0.4015610 0.0643657), wk = 0.0021739 k( 378) = ( 0.0000000 0.4015610 0.0750934), wk = 0.0021739 k( 379) = ( 0.0000000 0.4015610 0.0858210), wk = 0.0021739 k( 380) = ( 0.0000000 0.4015610 0.0965486), wk = 0.0021739 k( 381) = ( 0.0000000 0.4015610 0.1072762), wk = 0.0021739 k( 382) = ( 0.0000000 0.4015610 0.1180039), wk = 0.0021739 k( 383) = ( 0.0000000 0.4015610 0.1287315), wk = 0.0021739 k( 384) = ( 0.0000000 0.4015610 0.1394591), wk = 0.0021739 k( 385) = ( 0.0000000 0.4015610 0.1501867), wk = 0.0021739 k( 386) = ( 0.0000000 0.4015610 0.1609144), wk = 0.0021739 k( 387) = ( 0.0000000 0.4015610 0.1716420), wk = 0.0021739 k( 388) = ( 0.0000000 0.4015610 0.1823696), wk = 0.0021739 k( 389) = ( 0.0000000 0.4015610 0.1930972), wk = 0.0021739 k( 390) = ( 0.0000000 0.4015610 0.2038248), wk = 0.0021739 k( 391) = ( 0.0000000 0.4015610 0.2145525), wk = 0.0021739 k( 392) = ( 0.0000000 0.4015610 0.2252801), wk = 0.0021739 k( 393) = ( 0.0000000 0.4015610 0.2360077), wk = 0.0021739 k( 394) = ( 0.0000000 0.4015610 0.2467353), wk = 0.0021739 k( 395) = ( 0.0000000 0.4015610 0.2574630), wk = 0.0021739 k( 396) = ( 0.0000000 0.4015610 0.2681906), wk = 0.0021739 k( 397) = ( 0.0000000 0.4015610 0.2789182), wk = 0.0021739 k( 398) = ( 0.0000000 0.4015610 0.2896458), wk = 0.0021739 k( 399) = ( 0.0000000 0.4015610 0.3003735), wk = 0.0021739 k( 400) = ( 0.0000000 0.4015610 0.3111011), wk = 0.0021739 k( 401) = ( 0.5000000 -0.0000000 0.3111011), wk = 0.0021739 k( 402) = ( 0.5000000 -0.0000000 0.3003735), wk = 0.0021739 k( 403) = ( 0.5000000 -0.0000000 0.2896458), wk = 0.0021739 k( 404) = ( 0.5000000 -0.0000000 0.2789182), wk = 0.0021739 k( 405) = ( 0.5000000 -0.0000000 0.2681906), wk = 0.0021739 k( 406) = ( 0.5000000 -0.0000000 0.2574630), wk = 0.0021739 k( 407) = ( 0.5000000 -0.0000000 0.2467353), wk = 0.0021739 k( 408) = ( 0.5000000 -0.0000000 0.2360077), wk = 0.0021739 k( 409) = ( 0.5000000 -0.0000000 0.2252801), wk = 0.0021739 k( 410) = ( 0.5000000 -0.0000000 0.2145525), wk = 0.0021739 k( 411) = ( 0.5000000 -0.0000000 0.2038248), wk = 0.0021739 k( 412) = ( 0.5000000 -0.0000000 0.1930972), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.1823696), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.1716420), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.1609144), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1501867), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1394591), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1287315), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1180039), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1072762), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.0965486), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.0858210), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.0750934), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.0643657), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.0536381), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0429105), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0321829), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0214552), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0107276), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 431) = ( 0.5000000 0.4015610 -0.0000000), wk = 0.0021739 k( 432) = ( 0.5000000 0.4015610 0.0107276), wk = 0.0021739 k( 433) = ( 0.5000000 0.4015610 0.0214552), wk = 0.0021739 k( 434) = ( 0.5000000 0.4015610 0.0321829), wk = 0.0021739 k( 435) = ( 0.5000000 0.4015610 0.0429105), wk = 0.0021739 k( 436) = ( 0.5000000 0.4015610 0.0536381), wk = 0.0021739 k( 437) = ( 0.5000000 0.4015610 0.0643657), wk = 0.0021739 k( 438) = ( 0.5000000 0.4015610 0.0750934), wk = 0.0021739 k( 439) = ( 0.5000000 0.4015610 0.0858210), wk = 0.0021739 k( 440) = ( 0.5000000 0.4015610 0.0965486), wk = 0.0021739 k( 441) = ( 0.5000000 0.4015610 0.1072762), wk = 0.0021739 k( 442) = ( 0.5000000 0.4015610 0.1180039), wk = 0.0021739 k( 443) = ( 0.5000000 0.4015610 0.1287315), wk = 0.0021739 k( 444) = ( 0.5000000 0.4015610 0.1394591), wk = 0.0021739 k( 445) = ( 0.5000000 0.4015610 0.1501867), wk = 0.0021739 k( 446) = ( 0.5000000 0.4015610 0.1609144), wk = 0.0021739 k( 447) = ( 0.5000000 0.4015610 0.1716420), wk = 0.0021739 k( 448) = ( 0.5000000 0.4015610 0.1823696), wk = 0.0021739 k( 449) = ( 0.5000000 0.4015610 0.1930972), wk = 0.0021739 k( 450) = ( 0.5000000 0.4015610 0.2038248), wk = 0.0021739 k( 451) = ( 0.5000000 0.4015610 0.2145525), wk = 0.0021739 k( 452) = ( 0.5000000 0.4015610 0.2252801), wk = 0.0021739 k( 453) = ( 0.5000000 0.4015610 0.2360077), wk = 0.0021739 k( 454) = ( 0.5000000 0.4015610 0.2467353), wk = 0.0021739 k( 455) = ( 0.5000000 0.4015610 0.2574630), wk = 0.0021739 k( 456) = ( 0.5000000 0.4015610 0.2681906), wk = 0.0021739 k( 457) = ( 0.5000000 0.4015610 0.2789182), wk = 0.0021739 k( 458) = ( 0.5000000 0.4015610 0.2896458), wk = 0.0021739 k( 459) = ( 0.5000000 0.4015610 0.3003735), wk = 0.0021739 k( 460) = ( 0.5000000 0.4015610 0.3111011), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0021739 k( 3) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0021739 k( 4) = ( 0.0326087 0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0021739 k( 6) = ( 0.0543478 -0.0000000 0.0000000), wk = 0.0021739 k( 7) = ( 0.0652174 0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0760870 -0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0021739 k( 10) = ( 0.0978261 0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.1086957 -0.0000000 0.0000000), wk = 0.0021739 k( 12) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.1304348 0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1630435 -0.0000000 0.0000000), wk = 0.0021739 k( 17) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0021739 k( 18) = ( 0.1847826 -0.0000000 0.0000000), wk = 0.0021739 k( 19) = ( 0.1956522 -0.0000000 0.0000000), wk = 0.0021739 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0021739 k( 21) = ( 0.2173913 -0.0000000 0.0000000), wk = 0.0021739 k( 22) = ( 0.2282609 -0.0000000 0.0000000), wk = 0.0021739 k( 23) = ( 0.2391304 0.0000000 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0021739 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0021739 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2934783 -0.0000000 0.0000000), wk = 0.0021739 k( 29) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0021739 k( 30) = ( 0.3152174 -0.0000000 0.0000000), wk = 0.0021739 k( 31) = ( 0.3260870 -0.0000000 0.0000000), wk = 0.0021739 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0021739 k( 34) = ( 0.3586956 -0.0000000 0.0000000), wk = 0.0021739 k( 35) = ( 0.3695652 -0.0000000 0.0000000), wk = 0.0021739 k( 36) = ( 0.3804348 -0.0000000 0.0000000), wk = 0.0021739 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.4021739 -0.0000000 0.0000000), wk = 0.0021739 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0021739 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.4347826 -0.0000000 0.0000000), wk = 0.0021739 k( 42) = ( 0.4456522 0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.4565217 -0.0000000 0.0000000), wk = 0.0021739 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0021739 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 49) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0021739 k( 50) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0540541 0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1621622 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.2027027 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.2162162 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2972973 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.3243243 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.3513514 0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.4054054 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.4459460 0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.4594595 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 87) = ( 0.4891304 0.5000000 0.0000000), wk = 0.0021739 k( 88) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0021739 k( 89) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0021739 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0021739 k( 91) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0021739 k( 92) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0021739 k( 93) = ( 0.4239130 0.5000000 0.0000000), wk = 0.0021739 k( 94) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0021739 k( 95) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0021739 k( 97) = ( 0.3804348 0.5000000 0.0000000), wk = 0.0021739 k( 98) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0021739 k( 99) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3478261 0.5000000 0.0000000), wk = 0.0021739 k( 101) = ( 0.3369565 0.5000000 0.0000000), wk = 0.0021739 k( 102) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0021739 k( 103) = ( 0.3152174 0.5000000 0.0000000), wk = 0.0021739 k( 104) = ( 0.3043478 0.5000000 0.0000000), wk = 0.0021739 k( 105) = ( 0.2934783 0.5000000 0.0000000), wk = 0.0021739 k( 106) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0021739 k( 107) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0021739 k( 108) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0021739 k( 109) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0021739 k( 110) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0021739 k( 111) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0021739 k( 112) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0021739 k( 113) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0021739 k( 114) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0021739 k( 115) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0021739 k( 116) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0021739 k( 117) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0021739 k( 118) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0021739 k( 119) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0021739 k( 120) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0021739 k( 121) = ( 0.1195652 0.5000000 0.0000000), wk = 0.0021739 k( 122) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0021739 k( 123) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0021739 k( 124) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0021739 k( 125) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0021739 k( 126) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0021739 k( 127) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0021739 k( 128) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0021739 k( 129) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0021739 k( 130) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0021739 k( 131) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0021739 k( 132) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 133) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 134) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0021739 k( 135) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0021739 k( 136) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0021739 k( 137) = ( 0.0000000 0.4459460 0.0000000), wk = 0.0021739 k( 138) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0021739 k( 139) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0021739 k( 140) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0021739 k( 141) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.1486487 0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.0540541 0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0021739 k( 173) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0021739 k( 174) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0021739 k( 175) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.2931035), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 202) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0021739 k( 203) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0021739 k( 204) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0021739 k( 205) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0021739 k( 206) = ( 0.0543478 -0.0000000 0.5000000), wk = 0.0021739 k( 207) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0021739 k( 208) = ( 0.0760870 -0.0000000 0.5000000), wk = 0.0021739 k( 209) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0021739 k( 210) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0021739 k( 211) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0021739 k( 212) = ( 0.1195652 -0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.1413043 -0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.1630435 -0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.1847826 -0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.2282609 -0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.2934783 -0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.3152174 -0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.3369565 -0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.3586956 -0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.3695652 -0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.3804348 -0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.4021739 -0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.4239130 -0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.4673913 -0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0021739 k( 250) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0021739 k( 251) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0021739 k( 252) = ( 0.5000000 0.0540541 0.5000000), wk = 0.0021739 k( 253) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0021739 k( 254) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0021739 k( 255) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0021739 k( 256) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0021739 k( 257) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0021739 k( 258) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0021739 k( 259) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0021739 k( 260) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0021739 k( 261) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0021739 k( 262) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0021739 k( 263) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0021739 k( 264) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0021739 k( 265) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0021739 k( 266) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0021739 k( 267) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0021739 k( 268) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0021739 k( 269) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0021739 k( 270) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0021739 k( 271) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0021739 k( 272) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0021739 k( 273) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0021739 k( 274) = ( 0.5000000 0.3513514 0.5000000), wk = 0.0021739 k( 275) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0021739 k( 276) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0021739 k( 277) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0021739 k( 278) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0021739 k( 279) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0021739 k( 280) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0021739 k( 281) = ( 0.5000000 0.4459460 0.5000000), wk = 0.0021739 k( 282) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0021739 k( 283) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0021739 k( 284) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0021739 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 287) = ( 0.4891304 0.5000000 0.5000000), wk = 0.0021739 k( 288) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0021739 k( 289) = ( 0.4673913 0.5000000 0.5000000), wk = 0.0021739 k( 290) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0021739 k( 291) = ( 0.4456522 0.5000000 0.5000000), wk = 0.0021739 k( 292) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0021739 k( 293) = ( 0.4239130 0.5000000 0.5000000), wk = 0.0021739 k( 294) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0021739 k( 295) = ( 0.4021739 0.5000000 0.5000000), wk = 0.0021739 k( 296) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0021739 k( 297) = ( 0.3804348 0.5000000 0.5000000), wk = 0.0021739 k( 298) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0021739 k( 299) = ( 0.3586956 0.5000000 0.5000000), wk = 0.0021739 k( 300) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0021739 k( 301) = ( 0.3369565 0.5000000 0.5000000), wk = 0.0021739 k( 302) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0021739 k( 303) = ( 0.3152174 0.5000000 0.5000000), wk = 0.0021739 k( 304) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0021739 k( 305) = ( 0.2934783 0.5000000 0.5000000), wk = 0.0021739 k( 306) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0021739 k( 307) = ( 0.2717391 0.5000000 0.5000000), wk = 0.0021739 k( 308) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0021739 k( 309) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0021739 k( 310) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0021739 k( 311) = ( 0.2282609 0.5000000 0.5000000), wk = 0.0021739 k( 312) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0021739 k( 313) = ( 0.2065217 0.5000000 0.5000000), wk = 0.0021739 k( 314) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0021739 k( 315) = ( 0.1847826 0.5000000 0.5000000), wk = 0.0021739 k( 316) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0021739 k( 317) = ( 0.1630435 0.5000000 0.5000000), wk = 0.0021739 k( 318) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0021739 k( 319) = ( 0.1413043 0.5000000 0.5000000), wk = 0.0021739 k( 320) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0021739 k( 321) = ( 0.1195652 0.5000000 0.5000000), wk = 0.0021739 k( 322) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0021739 k( 323) = ( 0.0978261 0.5000000 0.5000000), wk = 0.0021739 k( 324) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0021739 k( 325) = ( 0.0760870 0.5000000 0.5000000), wk = 0.0021739 k( 326) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0021739 k( 327) = ( 0.0543478 0.5000000 0.5000000), wk = 0.0021739 k( 328) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0021739 k( 329) = ( 0.0326087 0.5000000 0.5000000), wk = 0.0021739 k( 330) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0021739 k( 331) = ( 0.0108696 0.5000000 0.5000000), wk = 0.0021739 k( 332) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 333) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 334) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0021739 k( 335) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0021739 k( 336) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0021739 k( 337) = ( 0.0000000 0.4459460 0.5000000), wk = 0.0021739 k( 338) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0021739 k( 339) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0021739 k( 340) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0021739 k( 341) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0021739 k( 342) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0021739 k( 343) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0021739 k( 344) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0021739 k( 345) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0021739 k( 346) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0021739 k( 347) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0021739 k( 348) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0021739 k( 349) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0021739 k( 350) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0021739 k( 351) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0021739 k( 352) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0021739 k( 353) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0021739 k( 354) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0021739 k( 355) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0021739 k( 356) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0021739 k( 357) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0021739 k( 358) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0021739 k( 359) = ( 0.0000000 0.1486487 0.5000000), wk = 0.0021739 k( 360) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0021739 k( 361) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0021739 k( 362) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0021739 k( 363) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0021739 k( 364) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0021739 k( 365) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0021739 k( 366) = ( 0.0000000 0.0540541 0.5000000), wk = 0.0021739 k( 367) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0021739 k( 368) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0021739 k( 369) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0021739 k( 370) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 371) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0021739 k( 373) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0021739 k( 374) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0021739 k( 375) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0021739 k( 376) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0021739 k( 377) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0021739 k( 378) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0021739 k( 379) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0021739 k( 380) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0021739 k( 381) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0021739 k( 382) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0021739 k( 383) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0021739 k( 384) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0021739 k( 385) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0021739 k( 386) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0021739 k( 387) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0021739 k( 388) = ( 0.0000000 0.5000000 0.2931035), wk = 0.0021739 k( 389) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0021739 k( 390) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0021739 k( 391) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0021739 k( 392) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0021739 k( 393) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0021739 k( 394) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0021739 k( 395) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0021739 k( 396) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0021739 k( 397) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0021739 k( 398) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0021739 k( 399) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0021739 k( 400) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 401) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 402) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0021739 k( 403) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0021739 k( 404) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0021739 k( 405) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0021739 k( 406) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0021739 k( 407) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0021739 k( 408) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0021739 k( 409) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0021739 k( 410) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0021739 k( 411) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0021739 k( 412) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0021739 k( 413) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0021739 k( 414) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0021739 k( 415) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0021739 k( 416) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0021739 k( 417) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0021739 k( 418) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0021739 k( 419) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0021739 k( 420) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0021739 k( 421) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0021739 k( 422) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0021739 k( 423) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0021739 k( 424) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0021739 k( 425) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0021739 k( 426) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0021739 k( 427) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0021739 k( 428) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0021739 k( 429) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0021739 k( 430) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 431) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 432) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0021739 k( 433) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0021739 k( 434) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0021739 k( 435) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0021739 k( 436) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0021739 k( 437) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0021739 k( 438) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0021739 k( 439) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0021739 k( 440) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0021739 k( 441) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0021739 k( 442) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0021739 k( 443) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0021739 k( 444) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0021739 k( 445) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0021739 k( 446) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0021739 k( 447) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0021739 k( 448) = ( 0.5000000 0.5000000 0.2931035), wk = 0.0021739 k( 449) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0021739 k( 450) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0021739 k( 451) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0021739 k( 452) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0021739 k( 453) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0021739 k( 454) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0021739 k( 455) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0021739 k( 456) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0021739 k( 457) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0021739 k( 458) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0021739 k( 459) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0021739 k( 460) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 54445 G-vectors FFT dimensions: ( 40, 48, 60) Smooth grid: 40993 G-vectors FFT dimensions: ( 36, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 342, 50) NL pseudopotentials 0.22 Mb ( 171, 84) Each V/rho on FFT grid 0.06 Mb ( 3840) Each G-vector array 0.01 Mb ( 1701) G-vector shells 0.01 Mb ( 854) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 342, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.13 Mb ( 84, 2, 50) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NaO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 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 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.7 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.4 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 17.0 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.5 secs Computing kpt #: 23 total cpu time spent up to now is 19.2 secs Computing kpt #: 24 total cpu time spent up to now is 20.0 secs Computing kpt #: 25 total cpu time spent up to now is 20.7 secs Computing kpt #: 26 total cpu time spent up to now is 21.5 secs Computing kpt #: 27 total cpu time spent up to now is 22.2 secs Computing kpt #: 28 total cpu time spent up to now is 23.0 secs Computing kpt #: 29 total cpu time spent up to now is 23.7 secs Computing kpt #: 30 total cpu time spent up to now is 24.5 secs Computing kpt #: 31 total cpu time spent up to now is 25.2 secs Computing kpt #: 32 total cpu time spent up to now is 26.0 secs Computing kpt #: 33 total cpu time spent up to now is 26.7 secs Computing kpt #: 34 total cpu time spent up to now is 27.5 secs Computing kpt #: 35 total cpu time spent up to now is 28.2 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.8 secs Computing kpt #: 38 total cpu time spent up to now is 30.5 secs Computing kpt #: 39 total cpu time spent up to now is 31.3 secs Computing kpt #: 40 total cpu time spent up to now is 32.1 secs Computing kpt #: 41 total cpu time spent up to now is 33.0 secs Computing kpt #: 42 total cpu time spent up to now is 33.8 secs Computing kpt #: 43 total cpu time spent up to now is 34.8 secs Computing kpt #: 44 total cpu time spent up to now is 35.8 secs Computing kpt #: 45 total cpu time spent up to now is 36.9 secs Computing kpt #: 46 total cpu time spent up to now is 38.0 secs Computing kpt #: 47 total cpu time spent up to now is 38.8 secs Computing kpt #: 48 total cpu time spent up to now is 39.5 secs Computing kpt #: 49 total cpu time spent up to now is 40.8 secs Computing kpt #: 50 total cpu time spent up to now is 42.0 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.2 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.1 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.1 secs Computing kpt #: 55 total cpu time spent up to now is 50.3 secs Computing kpt #: 56 total cpu time spent up to now is 51.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.6 secs Computing kpt #: 58 total cpu time spent up to now is 54.7 secs Computing kpt #: 59 total cpu time spent up to now is 55.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.0 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.0 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.0 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.0 secs Computing kpt #: 65 total cpu time spent up to now is 67.3 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.3 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.3 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.3 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.3 secs Computing kpt #: 70 total cpu time spent up to now is 76.6 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.6 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.7 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.7 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.7 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.8 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 78 total cpu time spent up to now is 92.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.5 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.4 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.4 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.3 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.4 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.3 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.3 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.2 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.1 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.0 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.1 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.1 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.1 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.9 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.0 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.0 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.8 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.6 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.6 secs Computing kpt #: 132 total cpu time spent up to now is 202.5 secs Computing kpt #: 133 total cpu time spent up to now is 203.5 secs Computing kpt #: 134 total cpu time spent up to now is 205.3 secs Computing kpt #: 135 total cpu time spent up to now is 206.3 secs Computing kpt #: 136 total cpu time spent up to now is 207.5 secs Computing kpt #: 137 total cpu time spent up to now is 208.6 secs Computing kpt #: 138 total cpu time spent up to now is 209.7 secs Computing kpt #: 139 total cpu time spent up to now is 210.7 secs Computing kpt #: 140 total cpu time spent up to now is 211.6 secs Computing kpt #: 141 total cpu time spent up to now is 212.6 secs Computing kpt #: 142 total cpu time spent up to now is 213.6 secs Computing kpt #: 143 total cpu time spent up to now is 214.6 secs Computing kpt #: 144 total cpu time spent up to now is 215.5 secs Computing kpt #: 145 total cpu time spent up to now is 216.5 secs Computing kpt #: 146 total cpu time spent up to now is 217.5 secs Computing kpt #: 147 total cpu time spent up to now is 218.4 secs Computing kpt #: 148 total cpu time spent up to now is 219.4 secs Computing kpt #: 149 total cpu time spent up to now is 220.3 secs Computing kpt #: 150 total cpu time spent up to now is 221.3 secs Computing kpt #: 151 total cpu time spent up to now is 222.2 secs Computing kpt #: 152 total cpu time spent up to now is 222.9 secs Computing kpt #: 153 total cpu time spent up to now is 223.8 secs Computing kpt #: 154 total cpu time spent up to now is 224.7 secs Computing kpt #: 155 total cpu time spent up to now is 225.5 secs Computing kpt #: 156 total cpu time spent up to now is 226.3 secs Computing kpt #: 157 total cpu time spent up to now is 227.2 secs Computing kpt #: 158 total cpu time spent up to now is 228.0 secs Computing kpt #: 159 total cpu time spent up to now is 228.7 secs Computing kpt #: 160 total cpu time spent up to now is 229.7 secs Computing kpt #: 161 total cpu time spent up to now is 230.4 secs Computing kpt #: 162 total cpu time spent up to now is 231.3 secs Computing kpt #: 163 total cpu time spent up to now is 232.1 secs Computing kpt #: 164 total cpu time spent up to now is 232.9 secs Computing kpt #: 165 total cpu time spent up to now is 233.7 secs Computing kpt #: 166 total cpu time spent up to now is 234.4 secs Computing kpt #: 167 total cpu time spent up to now is 235.2 secs Computing kpt #: 168 total cpu time spent up to now is 236.0 secs Computing kpt #: 169 total cpu time spent up to now is 236.7 secs Computing kpt #: 170 total cpu time spent up to now is 237.4 secs Computing kpt #: 171 total cpu time spent up to now is 238.2 secs Computing kpt #: 172 total cpu time spent up to now is 238.9 secs Computing kpt #: 173 total cpu time spent up to now is 239.7 secs Computing kpt #: 174 total cpu time spent up to now is 240.4 secs Computing kpt #: 175 total cpu time spent up to now is 241.2 secs Computing kpt #: 176 total cpu time spent up to now is 242.0 secs Computing kpt #: 177 total cpu time spent up to now is 242.8 secs Computing kpt #: 178 total cpu time spent up to now is 243.5 secs Computing kpt #: 179 total cpu time spent up to now is 244.3 secs Computing kpt #: 180 total cpu time spent up to now is 245.1 secs Computing kpt #: 181 total cpu time spent up to now is 245.9 secs Computing kpt #: 182 total cpu time spent up to now is 246.7 secs Computing kpt #: 183 total cpu time spent up to now is 247.5 secs Computing kpt #: 184 total cpu time spent up to now is 248.2 secs Computing kpt #: 185 total cpu time spent up to now is 249.0 secs Computing kpt #: 186 total cpu time spent up to now is 249.8 secs Computing kpt #: 187 total cpu time spent up to now is 250.5 secs Computing kpt #: 188 total cpu time spent up to now is 251.3 secs Computing kpt #: 189 total cpu time spent up to now is 252.1 secs Computing kpt #: 190 total cpu time spent up to now is 253.1 secs Computing kpt #: 191 total cpu time spent up to now is 254.1 secs Computing kpt #: 192 total cpu time spent up to now is 255.1 secs Computing kpt #: 193 total cpu time spent up to now is 256.0 secs Computing kpt #: 194 total cpu time spent up to now is 257.0 secs Computing kpt #: 195 total cpu time spent up to now is 258.1 secs Computing kpt #: 196 total cpu time spent up to now is 259.1 secs Computing kpt #: 197 total cpu time spent up to now is 260.1 secs Computing kpt #: 198 total cpu time spent up to now is 261.1 secs Computing kpt #: 199 total cpu time spent up to now is 262.2 secs Computing kpt #: 200 total cpu time spent up to now is 263.0 secs Computing kpt #: 201 total cpu time spent up to now is 263.9 secs Computing kpt #: 202 total cpu time spent up to now is 264.7 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.6 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.7 secs Computing kpt #: 205 total cpu time spent up to now is 270.2 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.2 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.2 secs Computing kpt #: 208 total cpu time spent up to now is 276.2 secs Computing kpt #: 209 total cpu time spent up to now is 277.7 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.6 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.6 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.6 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.5 secs Computing kpt #: 214 total cpu time spent up to now is 287.0 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.9 secs Computing kpt #: 216 total cpu time spent up to now is 290.5 secs Computing kpt #: 217 total cpu time spent up to now is 292.3 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.3 secs Computing kpt #: 219 total cpu time spent up to now is 295.8 secs Computing kpt #: 220 total cpu time spent up to now is 297.0 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 222 total cpu time spent up to now is 300.5 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.5 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.4 secs Computing kpt #: 225 total cpu time spent up to now is 305.9 secs Computing kpt #: 226 total cpu time spent up to now is 307.1 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.1 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.1 secs Computing kpt #: 229 total cpu time spent up to now is 312.3 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.4 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.4 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.4 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.4 secs Computing kpt #: 235 total cpu time spent up to now is 323.6 secs Computing kpt #: 236 total cpu time spent up to now is 324.9 secs Computing kpt #: 237 total cpu time spent up to now is 326.1 secs Computing kpt #: 238 total cpu time spent up to now is 327.3 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.4 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.4 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.4 secs Computing kpt #: 242 total cpu time spent up to now is 334.6 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.6 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.6 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 340.6 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.5 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.5 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.4 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.3 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.3 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.3 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.3 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.2 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.2 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.2 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.2 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.2 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.1 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.1 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.1 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.1 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.1 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.0 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.0 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.0 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.0 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.0 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.9 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.9 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.9 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.8 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.8 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.8 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.8 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 413.8 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.8 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.8 secs Computing kpt #: 285 total cpu time spent up to now is 418.7 secs Computing kpt #: 286 total cpu time spent up to now is 419.7 secs Computing kpt #: 287 total cpu time spent up to now is 420.6 secs Computing kpt #: 288 total cpu time spent up to now is 421.7 secs Computing kpt #: 289 total cpu time spent up to now is 422.5 secs Computing kpt #: 290 total cpu time spent up to now is 423.5 secs Computing kpt #: 291 total cpu time spent up to now is 424.4 secs Computing kpt #: 292 total cpu time spent up to now is 425.3 secs Computing kpt #: 293 total cpu time spent up to now is 426.2 secs Computing kpt #: 294 total cpu time spent up to now is 427.1 secs Computing kpt #: 295 total cpu time spent up to now is 428.0 secs Computing kpt #: 296 total cpu time spent up to now is 428.9 secs Computing kpt #: 297 total cpu time spent up to now is 429.7 secs Computing kpt #: 298 total cpu time spent up to now is 430.6 secs Computing kpt #: 299 total cpu time spent up to now is 431.5 secs Computing kpt #: 300 total cpu time spent up to now is 432.4 secs Computing kpt #: 301 total cpu time spent up to now is 433.5 secs Computing kpt #: 302 total cpu time spent up to now is 434.5 secs Computing kpt #: 303 total cpu time spent up to now is 435.4 secs Computing kpt #: 304 total cpu time spent up to now is 436.2 secs Computing kpt #: 305 total cpu time spent up to now is 437.1 secs Computing kpt #: 306 total cpu time spent up to now is 438.0 secs Computing kpt #: 307 total cpu time spent up to now is 438.9 secs Computing kpt #: 308 total cpu time spent up to now is 439.7 secs Computing kpt #: 309 total cpu time spent up to now is 440.5 secs Computing kpt #: 310 total cpu time spent up to now is 441.4 secs Computing kpt #: 311 total cpu time spent up to now is 442.2 secs Computing kpt #: 312 total cpu time spent up to now is 443.0 secs Computing kpt #: 313 total cpu time spent up to now is 443.7 secs Computing kpt #: 314 total cpu time spent up to now is 444.5 secs Computing kpt #: 315 total cpu time spent up to now is 445.3 secs Computing kpt #: 316 total cpu time spent up to now is 446.1 secs Computing kpt #: 317 total cpu time spent up to now is 446.9 secs Computing kpt #: 318 total cpu time spent up to now is 447.7 secs Computing kpt #: 319 total cpu time spent up to now is 448.4 secs Computing kpt #: 320 total cpu time spent up to now is 449.2 secs Computing kpt #: 321 total cpu time spent up to now is 450.0 secs Computing kpt #: 322 total cpu time spent up to now is 450.7 secs Computing kpt #: 323 total cpu time spent up to now is 451.5 secs Computing kpt #: 324 total cpu time spent up to now is 452.2 secs Computing kpt #: 325 total cpu time spent up to now is 453.0 secs Computing kpt #: 326 total cpu time spent up to now is 453.7 secs Computing kpt #: 327 total cpu time spent up to now is 454.5 secs Computing kpt #: 328 total cpu time spent up to now is 455.2 secs Computing kpt #: 329 total cpu time spent up to now is 456.0 secs Computing kpt #: 330 total cpu time spent up to now is 456.7 secs Computing kpt #: 331 total cpu time spent up to now is 457.5 secs Computing kpt #: 332 total cpu time spent up to now is 458.2 secs Computing kpt #: 333 total cpu time spent up to now is 458.9 secs Computing kpt #: 334 total cpu time spent up to now is 459.7 secs Computing kpt #: 335 total cpu time spent up to now is 460.5 secs Computing kpt #: 336 total cpu time spent up to now is 461.2 secs Computing kpt #: 337 total cpu time spent up to now is 462.0 secs Computing kpt #: 338 total cpu time spent up to now is 462.9 secs Computing kpt #: 339 total cpu time spent up to now is 463.8 secs Computing kpt #: 340 total cpu time spent up to now is 464.7 secs Computing kpt #: 341 total cpu time spent up to now is 465.7 secs Computing kpt #: 342 total cpu time spent up to now is 466.6 secs Computing kpt #: 343 total cpu time spent up to now is 467.6 secs Computing kpt #: 344 total cpu time spent up to now is 468.5 secs Computing kpt #: 345 total cpu time spent up to now is 469.5 secs Computing kpt #: 346 total cpu time spent up to now is 470.4 secs Computing kpt #: 347 total cpu time spent up to now is 471.4 secs Computing kpt #: 348 total cpu time spent up to now is 472.4 secs Computing kpt #: 349 total cpu time spent up to now is 473.4 secs Computing kpt #: 350 total cpu time spent up to now is 474.2 secs Computing kpt #: 351 total cpu time spent up to now is 475.1 secs Computing kpt #: 352 total cpu time spent up to now is 476.1 secs Computing kpt #: 353 total cpu time spent up to now is 477.0 secs Computing kpt #: 354 total cpu time spent up to now is 478.0 secs Computing kpt #: 355 total cpu time spent up to now is 478.9 secs Computing kpt #: 356 total cpu time spent up to now is 479.9 secs Computing kpt #: 357 total cpu time spent up to now is 480.7 secs Computing kpt #: 358 total cpu time spent up to now is 481.5 secs Computing kpt #: 359 total cpu time spent up to now is 482.4 secs Computing kpt #: 360 total cpu time spent up to now is 483.3 secs Computing kpt #: 361 total cpu time spent up to now is 484.1 secs Computing kpt #: 362 total cpu time spent up to now is 484.9 secs Computing kpt #: 363 total cpu time spent up to now is 485.7 secs Computing kpt #: 364 total cpu time spent up to now is 486.6 secs Computing kpt #: 365 total cpu time spent up to now is 487.5 secs Computing kpt #: 366 total cpu time spent up to now is 488.4 secs Computing kpt #: 367 total cpu time spent up to now is 489.3 secs Computing kpt #: 368 total cpu time spent up to now is 490.9 secs Computing kpt #: 369 total cpu time spent up to now is 493.5 secs Computing kpt #: 370 total cpu time spent up to now is 494.8 secs Computing kpt #: 371 total cpu time spent up to now is 495.7 secs Computing kpt #: 372 total cpu time spent up to now is 496.7 secs Computing kpt #: 373 total cpu time spent up to now is 497.7 secs Computing kpt #: 374 total cpu time spent up to now is 498.7 secs Computing kpt #: 375 total cpu time spent up to now is 499.7 secs Computing kpt #: 376 total cpu time spent up to now is 500.7 secs Computing kpt #: 377 total cpu time spent up to now is 501.8 secs Computing kpt #: 378 total cpu time spent up to now is 502.7 secs Computing kpt #: 379 total cpu time spent up to now is 503.7 secs Computing kpt #: 380 total cpu time spent up to now is 504.7 secs Computing kpt #: 381 total cpu time spent up to now is 505.7 secs Computing kpt #: 382 total cpu time spent up to now is 506.6 secs Computing kpt #: 383 total cpu time spent up to now is 507.6 secs Computing kpt #: 384 total cpu time spent up to now is 508.6 secs Computing kpt #: 385 total cpu time spent up to now is 509.6 secs Computing kpt #: 386 total cpu time spent up to now is 510.5 secs Computing kpt #: 387 total cpu time spent up to now is 511.5 secs Computing kpt #: 388 total cpu time spent up to now is 512.5 secs Computing kpt #: 389 total cpu time spent up to now is 513.5 secs Computing kpt #: 390 total cpu time spent up to now is 514.4 secs Computing kpt #: 391 total cpu time spent up to now is 515.4 secs Computing kpt #: 392 total cpu time spent up to now is 516.4 secs Computing kpt #: 393 total cpu time spent up to now is 517.1 secs Computing kpt #: 394 total cpu time spent up to now is 518.1 secs Computing kpt #: 395 total cpu time spent up to now is 518.9 secs Computing kpt #: 396 total cpu time spent up to now is 519.6 secs Computing kpt #: 397 total cpu time spent up to now is 520.4 secs Computing kpt #: 398 total cpu time spent up to now is 521.2 secs Computing kpt #: 399 total cpu time spent up to now is 521.9 secs Computing kpt #: 400 total cpu time spent up to now is 522.6 secs Computing kpt #: 401 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.5 secs Computing kpt #: 402 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 526.5 secs Computing kpt #: 403 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.4 secs Computing kpt #: 404 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 530.4 secs Computing kpt #: 405 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.3 secs Computing kpt #: 406 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.3 secs Computing kpt #: 407 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 408 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.2 secs Computing kpt #: 409 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.2 secs Computing kpt #: 410 total cpu time spent up to now is 541.6 secs Computing kpt #: 411 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.6 secs Computing kpt #: 412 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.5 secs Computing kpt #: 413 total cpu time spent up to now is 546.8 secs Computing kpt #: 414 total cpu time spent up to now is 548.1 secs Computing kpt #: 415 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.1 secs Computing kpt #: 416 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.0 secs Computing kpt #: 417 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.0 secs Computing kpt #: 418 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.0 secs Computing kpt #: 419 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.8 secs Computing kpt #: 420 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.8 secs Computing kpt #: 421 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.8 secs Computing kpt #: 422 total cpu time spent up to now is 563.1 secs Computing kpt #: 423 total cpu time spent up to now is 564.3 secs Computing kpt #: 424 total cpu time spent up to now is 565.1 secs Computing kpt #: 425 total cpu time spent up to now is 566.1 secs Computing kpt #: 426 total cpu time spent up to now is 567.0 secs Computing kpt #: 427 total cpu time spent up to now is 567.9 secs Computing kpt #: 428 total cpu time spent up to now is 568.8 secs Computing kpt #: 429 total cpu time spent up to now is 569.6 secs Computing kpt #: 430 total cpu time spent up to now is 570.3 secs Computing kpt #: 431 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.3 secs Computing kpt #: 432 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.3 secs Computing kpt #: 433 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.3 secs Computing kpt #: 434 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.3 secs Computing kpt #: 435 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.2 secs Computing kpt #: 436 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.2 secs Computing kpt #: 437 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 584.2 secs Computing kpt #: 438 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.1 secs Computing kpt #: 439 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.1 secs Computing kpt #: 440 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.1 secs Computing kpt #: 441 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.0 secs Computing kpt #: 442 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 594.0 secs Computing kpt #: 443 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.0 secs Computing kpt #: 444 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.0 secs Computing kpt #: 445 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.9 secs Computing kpt #: 446 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.9 secs Computing kpt #: 447 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.9 secs Computing kpt #: 448 total cpu time spent up to now is 605.2 secs Computing kpt #: 449 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.1 secs Computing kpt #: 450 total cpu time spent up to now is 608.3 secs Computing kpt #: 451 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 610.3 secs Computing kpt #: 452 total cpu time spent up to now is 611.5 secs Computing kpt #: 453 total cpu time spent up to now is 612.6 secs Computing kpt #: 454 total cpu time spent up to now is 613.6 secs Computing kpt #: 455 total cpu time spent up to now is 614.7 secs Computing kpt #: 456 total cpu time spent up to now is 615.8 secs Computing kpt #: 457 total cpu time spent up to now is 616.8 secs Computing kpt #: 458 total cpu time spent up to now is 617.7 secs Computing kpt #: 459 total cpu time spent up to now is 618.7 secs Computing kpt #: 460 total cpu time spent up to now is 619.6 secs ethr = 2.38E-11, avg # of iterations = 64.0 total cpu time spent up to now is 619.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3343 -20.3343 -20.2146 -20.2146 -19.5074 -19.5074 -19.4807 -19.4807 -19.3431 -19.3431 -19.3111 -19.3111 -19.3086 -19.3086 -19.2948 -19.2948 -11.4275 -11.4275 -11.3616 -11.3616 -4.0628 -4.0628 -3.6007 -3.6007 -2.5696 -2.5696 -2.1906 -2.1906 -2.1055 -2.1055 -1.8783 -1.8783 1.7609 1.7609 2.6014 2.6014 2.7390 2.7390 2.8065 2.8065 7.6946 7.6946 8.7294 8.7294 9.3781 9.3781 k = 0.0109-0.0000-0.0000 ( 5139 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3343 -20.3343 -20.2147 -20.2147 -19.5072 -19.5072 -19.4807 -19.4807 -19.3429 -19.3429 -19.3110 -19.3110 -19.3086 -19.3086 -19.2948 -19.2948 -11.4274 -11.4274 -11.3616 -11.3616 -4.0626 -4.0626 -3.6007 -3.6007 -2.5694 -2.5694 -2.1915 -2.1915 -2.1055 -2.1055 -1.8792 -1.8792 1.7614 1.7614 2.6014 2.6014 2.7385 2.7385 2.8059 2.8059 7.6966 7.6966 8.7296 8.7296 9.3780 9.3780 k = 0.0217-0.0000-0.0000 ( 5139 PWs) bands (ev): -47.4330 -47.4330 -47.4312 -47.4312 -20.3344 -20.3344 -20.2150 -20.2150 -19.5071 -19.5071 -19.4806 -19.4806 -19.3428 -19.3428 -19.3108 -19.3108 -19.3086 -19.3086 -19.2946 -19.2946 -11.4273 -11.4273 -11.3615 -11.3615 -4.0622 -4.0622 -3.6005 -3.6005 -2.5688 -2.5688 -2.1944 -2.1944 -2.1057 -2.1057 -1.8820 -1.8820 1.7627 1.7627 2.6012 2.6012 2.7368 2.7368 2.8042 2.8042 7.7025 7.7025 8.7303 8.7303 9.3777 9.3777 k = 0.0326-0.0000-0.0000 ( 5139 PWs) bands (ev): -47.4330 -47.4330 -47.4312 -47.4312 -20.3345 -20.3345 -20.2156 -20.2156 -19.5069 -19.5069 -19.4804 -19.4804 -19.3427 -19.3427 -19.3105 -19.3105 -19.3085 -19.3085 -19.2944 -19.2944 -11.4271 -11.4271 -11.3615 -11.3615 -4.0615 -4.0615 -3.6002 -3.6002 -2.5679 -2.5679 -2.1990 -2.1990 -2.1060 -2.1060 -1.8867 -1.8867 1.7648 1.7648 2.6009 2.6009 2.7340 2.7340 2.8013 2.8013 7.7124 7.7124 8.7313 8.7313 9.3770 9.3770 k = 0.0435-0.0000-0.0000 ( 5133 PWs) bands (ev): -47.4330 -47.4330 -47.4312 -47.4312 -20.3347 -20.3347 -20.2163 -20.2163 -19.5065 -19.5065 -19.4802 -19.4802 -19.3425 -19.3425 -19.3100 -19.3100 -19.3084 -19.3084 -19.2941 -19.2941 -11.4268 -11.4268 -11.3615 -11.3615 -4.0605 -4.0605 -3.5998 -3.5998 -2.5666 -2.5666 -2.2055 -2.2055 -2.1064 -2.1064 -1.8932 -1.8932 1.7678 1.7678 2.6005 2.6005 2.7301 2.7301 2.7973 2.7973 7.7262 7.7262 8.7327 8.7327 9.3762 9.3762 k = 0.0543-0.0000-0.0000 ( 5153 PWs) bands (ev): -47.4330 -47.4330 -47.4312 -47.4312 -20.3349 -20.3349 -20.2172 -20.2172 -19.5063 -19.5063 -19.4799 -19.4799 -19.3424 -19.3424 -19.3095 -19.3095 -19.3083 -19.3083 -19.2937 -19.2937 -11.4264 -11.4264 -11.3614 -11.3614 -4.0592 -4.0592 -3.5993 -3.5993 -2.5649 -2.5649 -2.2138 -2.2138 -2.1069 -2.1069 -1.9016 -1.9016 1.7716 1.7716 2.5999 2.5999 2.7252 2.7252 2.7921 2.7921 7.7438 7.7438 8.7345 8.7345 9.3750 9.3750 k = 0.0652-0.0000-0.0000 ( 5153 PWs) bands (ev): -47.4329 -47.4329 -47.4312 -47.4312 -20.3352 -20.3352 -20.2184 -20.2184 -19.5058 -19.5058 -19.4796 -19.4796 -19.3421 -19.3421 -19.3088 -19.3088 -19.3081 -19.3081 -19.2933 -19.2933 -11.4259 -11.4259 -11.3614 -11.3614 -4.0576 -4.0576 -3.5987 -3.5987 -2.5629 -2.5629 -2.2238 -2.2238 -2.1076 -2.1076 -1.9117 -1.9117 1.7763 1.7763 2.5992 2.5992 2.7193 2.7193 2.7859 2.7859 7.7652 7.7652 8.7367 8.7367 9.3736 9.3736 k = 0.0761-0.0000-0.0000 ( 5141 PWs) bands (ev): -47.4329 -47.4329 -47.4312 -47.4312 -20.3355 -20.3355 -20.2197 -20.2197 -19.5052 -19.5052 -19.4791 -19.4791 -19.3418 -19.3418 -19.3081 -19.3081 -19.3077 -19.3077 -19.2926 -19.2926 -11.4253 -11.4253 -11.3613 -11.3613 -4.0557 -4.0557 -3.5980 -3.5980 -2.5605 -2.5605 -2.2354 -2.2354 -2.1083 -2.1083 -1.9234 -1.9234 1.7818 1.7818 2.5983 2.5983 2.7123 2.7123 2.7787 2.7787 7.7904 7.7904 8.7393 8.7393 9.3720 9.3720 k = 0.0870-0.0000-0.0000 ( 5141 PWs) bands (ev): -47.4328 -47.4328 -47.4311 -47.4311 -20.3359 -20.3359 -20.2212 -20.2212 -19.5045 -19.5045 -19.4787 -19.4787 -19.3414 -19.3414 -19.3079 -19.3079 -19.3068 -19.3068 -19.2920 -19.2920 -11.4247 -11.4247 -11.3613 -11.3613 -4.0536 -4.0536 -3.5972 -3.5972 -2.5577 -2.5577 -2.2486 -2.2486 -2.1092 -2.1092 -1.9367 -1.9367 1.7881 1.7881 2.5973 2.5973 2.7044 2.7044 2.7704 2.7704 7.8193 7.8193 8.7422 8.7422 9.3700 9.3700 k = 0.0978-0.0000-0.0000 ( 5153 PWs) bands (ev): -47.4328 -47.4328 -47.4311 -47.4311 -20.3363 -20.3363 -20.2229 -20.2229 -19.5038 -19.5038 -19.4783 -19.4783 -19.3410 -19.3410 -19.3078 -19.3078 -19.3057 -19.3057 -19.2913 -19.2913 -11.4240 -11.4240 -11.3612 -11.3612 -4.0511 -4.0511 -3.5964 -3.5964 -2.5546 -2.5546 -2.2634 -2.2634 -2.1102 -2.1102 -1.9517 -1.9517 1.7952 1.7952 2.5961 2.5961 2.6955 2.6955 2.7612 2.7612 7.8518 7.8518 8.7455 8.7455 9.3678 9.3678 k = 0.1087-0.0000-0.0000 ( 5155 PWs) bands (ev): -47.4327 -47.4327 -47.4311 -47.4311 -20.3367 -20.3367 -20.2248 -20.2248 -19.5030 -19.5030 -19.4777 -19.4777 -19.3406 -19.3406 -19.3076 -19.3076 -19.3045 -19.3045 -19.2904 -19.2904 -11.4232 -11.4232 -11.3611 -11.3611 -4.0484 -4.0484 -3.5956 -3.5956 -2.5511 -2.5511 -2.2795 -2.2795 -2.1114 -2.1114 -1.9681 -1.9681 1.8031 1.8031 2.5947 2.5947 2.6858 2.6858 2.7510 2.7510 7.8878 7.8878 8.7492 8.7492 9.3653 9.3653 k = 0.1196-0.0000-0.0000 ( 5153 PWs) bands (ev): -47.4327 -47.4327 -47.4311 -47.4311 -20.3372 -20.3372 -20.2269 -20.2269 -19.5022 -19.5022 -19.4771 -19.4771 -19.3401 -19.3401 -19.3075 -19.3075 -19.3032 -19.3032 -19.2894 -19.2894 -11.4223 -11.4223 -11.3611 -11.3611 -4.0455 -4.0455 -3.5948 -3.5948 -2.5473 -2.5473 -2.2969 -2.2969 -2.1127 -2.1127 -1.9858 -1.9858 1.8117 1.8117 2.5932 2.5932 2.6754 2.6754 2.7401 2.7401 7.9272 7.9272 8.7533 8.7533 9.3625 9.3625 k = 0.1304-0.0000-0.0000 ( 5159 PWs) bands (ev): -47.4326 -47.4326 -47.4310 -47.4310 -20.3377 -20.3377 -20.2291 -20.2291 -19.5013 -19.5013 -19.4765 -19.4765 -19.3396 -19.3396 -19.3073 -19.3073 -19.3018 -19.3018 -19.2884 -19.2884 -11.4214 -11.4214 -11.3610 -11.3610 -4.0422 -4.0422 -3.5940 -3.5940 -2.5431 -2.5431 -2.3155 -2.3155 -2.1142 -2.1142 -2.0047 -2.0047 1.8210 1.8210 2.5914 2.5914 2.6642 2.6642 2.7282 2.7282 7.9699 7.9699 8.7577 8.7577 9.3593 9.3593 k = 0.1413-0.0000-0.0000 ( 5157 PWs) bands (ev): -47.4325 -47.4325 -47.4310 -47.4310 -20.3382 -20.3382 -20.2315 -20.2315 -19.5003 -19.5003 -19.4759 -19.4759 -19.3390 -19.3390 -19.3072 -19.3072 -19.3003 -19.3003 -19.2874 -19.2874 -11.4203 -11.4203 -11.3609 -11.3609 -4.0387 -4.0387 -3.5932 -3.5932 -2.5386 -2.5386 -2.3350 -2.3350 -2.1158 -2.1158 -2.0249 -2.0249 1.8311 1.8311 2.5893 2.5893 2.6524 2.6524 2.7157 2.7157 8.0158 8.0158 8.7624 8.7624 9.3558 9.3558 k = 0.1522-0.0000-0.0000 ( 5159 PWs) bands (ev): -47.4325 -47.4325 -47.4309 -47.4309 -20.3387 -20.3387 -20.2340 -20.2340 -19.4992 -19.4992 -19.4752 -19.4752 -19.3384 -19.3384 -19.3070 -19.3070 -19.2987 -19.2987 -19.2863 -19.2863 -11.4192 -11.4192 -11.3609 -11.3609 -4.0349 -4.0349 -3.5925 -3.5925 -2.5338 -2.5338 -2.3555 -2.3555 -2.1177 -2.1177 -2.0461 -2.0461 1.8418 1.8418 2.5869 2.5869 2.6400 2.6400 2.7024 2.7024 8.0649 8.0649 8.7674 8.7674 9.3521 9.3521 k = 0.1630-0.0000-0.0000 ( 5159 PWs) bands (ev): -47.4324 -47.4324 -47.4309 -47.4309 -20.3393 -20.3393 -20.2366 -20.2366 -19.4981 -19.4981 -19.4745 -19.4745 -19.3377 -19.3377 -19.3069 -19.3069 -19.2970 -19.2970 -19.2850 -19.2850 -11.4181 -11.4181 -11.3608 -11.3608 -4.0309 -4.0309 -3.5919 -3.5919 -2.5287 -2.5287 -2.3768 -2.3768 -2.1199 -2.1199 -2.0680 -2.0680 1.8531 1.8531 2.5841 2.5841 2.6273 2.6273 2.6885 2.6885 8.1169 8.1169 8.7728 8.7728 9.3479 9.3479 k = 0.1739-0.0000-0.0000 ( 5159 PWs) bands (ev): -47.4323 -47.4323 -47.4308 -47.4308 -20.3398 -20.3398 -20.2394 -20.2394 -19.4970 -19.4970 -19.4738 -19.4738 -19.3370 -19.3370 -19.3068 -19.3068 -19.2952 -19.2952 -19.2837 -19.2837 -11.4169 -11.4169 -11.3607 -11.3607 -4.0266 -4.0266 -3.5914 -3.5914 -2.5233 -2.5233 -2.3987 -2.3987 -2.1228 -2.1228 -2.0902 -2.0902 1.8651 1.8651 2.5807 2.5807 2.6145 2.6145 2.6741 2.6741 8.1718 8.1718 8.7784 8.7784 9.3434 9.3434 k = 0.1848-0.0000-0.0000 ( 5151 PWs) bands (ev): -47.4322 -47.4322 -47.4308 -47.4308 -20.3404 -20.3404 -20.2423 -20.2423 -19.4957 -19.4957 -19.4731 -19.4731 -19.3362 -19.3362 -19.3067 -19.3067 -19.2933 -19.2933 -19.2824 -19.2824 -11.4156 -11.4156 -11.3607 -11.3607 -4.0220 -4.0220 -3.5911 -3.5911 -2.5177 -2.5177 -2.4210 -2.4210 -2.1285 -2.1285 -2.1106 -2.1106 1.8777 1.8777 2.5763 2.5763 2.6020 2.6020 2.6592 2.6592 8.2295 8.2295 8.7844 8.7844 9.3386 9.3386 k = 0.1957-0.0000-0.0000 ( 5151 PWs) bands (ev): -47.4321 -47.4321 -47.4307 -47.4307 -20.3409 -20.3409 -20.2452 -20.2452 -19.4945 -19.4945 -19.4724 -19.4724 -19.3354 -19.3354 -19.3066 -19.3066 -19.2914 -19.2914 -19.2810 -19.2810 -11.4143 -11.4143 -11.3607 -11.3607 -4.0173 -4.0173 -3.5910 -3.5910 -2.5119 -2.5119 -2.4435 -2.4435 -2.1447 -2.1447 -2.1214 -2.1214 1.8909 1.8909 2.5699 2.5699 2.5908 2.5908 2.6440 2.6440 8.2898 8.2898 8.7907 8.7907 9.3334 9.3334 k = 0.2065-0.0000-0.0000 ( 5155 PWs) bands (ev): -47.4321 -47.4321 -47.4307 -47.4307 -20.3414 -20.3414 -20.2483 -20.2483 -19.4933 -19.4933 -19.4717 -19.4717 -19.3346 -19.3346 -19.3065 -19.3065 -19.2895 -19.2895 -19.2795 -19.2795 -11.4129 -11.4129 -11.3607 -11.3607 -4.0122 -4.0122 -3.5911 -3.5911 -2.5062 -2.5062 -2.4659 -2.4659 -2.1680 -2.1680 -2.1257 -2.1257 1.9045 1.9045 2.5603 2.5603 2.5822 2.5822 2.6285 2.6285 8.3526 8.3526 8.7972 8.7972 9.3278 9.3278 k = 0.2174-0.0000-0.0000 ( 5155 PWs) bands (ev): -47.4320 -47.4320 -47.4306 -47.4306 -20.3419 -20.3419 -20.2515 -20.2515 -19.4921 -19.4921 -19.4710 -19.4710 -19.3338 -19.3338 -19.3064 -19.3064 -19.2875 -19.2875 -19.2780 -19.2780 -11.4115 -11.4115 -11.3607 -11.3607 -4.0069 -4.0069 -3.5915 -3.5915 -2.5028 -2.5028 -2.4858 -2.4858 -2.1929 -2.1929 -2.1290 -2.1290 1.9187 1.9187 2.5481 2.5481 2.5756 2.5756 2.6128 2.6128 8.4178 8.4178 8.8040 8.8040 9.3219 9.3219 k = 0.2283-0.0000-0.0000 ( 5151 PWs) bands (ev): -47.4319 -47.4319 -47.4306 -47.4306 -20.3424 -20.3424 -20.2547 -20.2547 -19.4908 -19.4908 -19.4702 -19.4702 -19.3330 -19.3330 -19.3063 -19.3063 -19.2854 -19.2854 -19.2764 -19.2764 -11.4101 -11.4101 -11.3607 -11.3607 -4.0014 -4.0014 -3.5922 -3.5922 -2.5156 -2.5156 -2.4890 -2.4890 -2.2185 -2.2185 -2.1323 -2.1323 1.9333 1.9333 2.5344 2.5344 2.5699 2.5699 2.5972 2.5972 8.4853 8.4853 8.8111 8.8111 9.3155 9.3155 k = 0.2391-0.0000-0.0000 ( 5125 PWs) bands (ev): -47.4317 -47.4317 -47.4305 -47.4305 -20.3428 -20.3428 -20.2580 -20.2580 -19.4894 -19.4894 -19.4695 -19.4695 -19.3321 -19.3321 -19.3062 -19.3062 -19.2832 -19.2832 -19.2747 -19.2747 -11.4086 -11.4086 -11.3607 -11.3607 -3.9956 -3.9956 -3.5933 -3.5933 -2.5369 -2.5369 -2.4831 -2.4831 -2.2443 -2.2443 -2.1355 -2.1355 1.9484 1.9484 2.5201 2.5201 2.5637 2.5637 2.5823 2.5823 8.5551 8.5551 8.8184 8.8184 9.3088 9.3088 k = 0.2500-0.0000-0.0000 ( 5129 PWs) bands (ev): -47.4317 -47.4317 -47.4304 -47.4304 -20.3432 -20.3432 -20.2613 -20.2613 -19.4881 -19.4881 -19.4688 -19.4688 -19.3312 -19.3312 -19.3062 -19.3062 -19.2812 -19.2812 -19.2731 -19.2731 -11.4071 -11.4071 -11.3608 -11.3608 -3.9895 -3.9895 -3.5949 -3.5949 -2.5587 -2.5587 -2.4762 -2.4762 -2.2704 -2.2704 -2.1390 -2.1390 1.9638 1.9638 2.5055 2.5055 2.5552 2.5552 2.5695 2.5695 8.6268 8.6268 8.8260 8.8260 9.3017 9.3017 k = 0.2609-0.0000-0.0000 ( 5131 PWs) bands (ev): -47.4316 -47.4316 -47.4304 -47.4304 -20.3436 -20.3436 -20.2647 -20.2647 -19.4868 -19.4868 -19.4682 -19.4682 -19.3303 -19.3303 -19.3061 -19.3061 -19.2791 -19.2791 -19.2715 -19.2715 -11.4055 -11.4055 -11.3609 -11.3609 -3.9833 -3.9833 -3.5969 -3.5969 -2.5802 -2.5802 -2.4689 -2.4689 -2.2965 -2.2965 -2.1426 -2.1426 1.9796 1.9796 2.4909 2.4909 2.5426 2.5426 2.5605 2.5605 8.7006 8.7006 8.8338 8.8338 9.2942 9.2942 k = 0.2717-0.0000-0.0000 ( 5135 PWs) bands (ev): -47.4315 -47.4315 -47.4303 -47.4303 -20.3439 -20.3439 -20.2681 -20.2681 -19.4855 -19.4855 -19.4676 -19.4676 -19.3294 -19.3294 -19.3061 -19.3061 -19.2771 -19.2771 -19.2699 -19.2699 -11.4040 -11.4040 -11.3610 -11.3610 -3.9767 -3.9767 -3.5994 -3.5994 -2.6011 -2.6011 -2.4613 -2.4613 -2.3226 -2.3226 -2.1464 -2.1464 1.9957 1.9957 2.4764 2.4764 2.5278 2.5278 2.5537 2.5537 8.7761 8.7761 8.8420 8.8420 9.2864 9.2864 k = 0.2826-0.0000-0.0000 ( 5133 PWs) bands (ev): -47.4314 -47.4314 -47.4303 -47.4303 -20.3441 -20.3441 -20.2715 -20.2715 -19.4842 -19.4842 -19.4670 -19.4670 -19.3285 -19.3285 -19.3062 -19.3062 -19.2750 -19.2750 -19.2683 -19.2683 -11.4024 -11.4024 -11.3611 -11.3611 -3.9700 -3.9700 -3.6025 -3.6025 -2.6211 -2.6211 -2.4535 -2.4535 -2.3485 -2.3485 -2.1505 -2.1505 2.0121 2.0121 2.4620 2.4620 2.5123 2.5123 2.5474 2.5474 8.8485 8.8485 8.8552 8.8552 9.2782 9.2782 k = 0.2935-0.0000-0.0000 ( 5135 PWs) bands (ev): -47.4313 -47.4313 -47.4302 -47.4302 -20.3443 -20.3443 -20.2749 -20.2749 -19.4830 -19.4830 -19.4664 -19.4664 -19.3275 -19.3275 -19.3062 -19.3062 -19.2730 -19.2730 -19.2667 -19.2667 -11.4008 -11.4008 -11.3613 -11.3613 -3.9629 -3.9629 -3.6061 -3.6061 -2.6402 -2.6402 -2.4456 -2.4456 -2.3741 -2.3741 -2.1547 -2.1547 2.0287 2.0287 2.4480 2.4480 2.4968 2.4968 2.5410 2.5410 8.8586 8.8586 8.9327 8.9327 9.2696 9.2696 k = 0.3043-0.0000-0.0000 ( 5135 PWs) bands (ev): -47.4312 -47.4312 -47.4302 -47.4302 -20.3444 -20.3444 -20.2783 -20.2783 -19.4817 -19.4817 -19.4659 -19.4659 -19.3266 -19.3266 -19.3062 -19.3062 -19.2710 -19.2710 -19.2652 -19.2652 -11.3992 -11.3992 -11.3615 -11.3615 -3.9556 -3.9556 -3.6104 -3.6104 -2.6583 -2.6583 -2.4378 -2.4378 -2.3990 -2.3990 -2.1592 -2.1592 2.0455 2.0455 2.4343 2.4343 2.4814 2.4814 2.5344 2.5344 8.8675 8.8675 9.0132 9.0132 9.2606 9.2606 k = 0.3152-0.0000-0.0000 ( 5131 PWs) bands (ev): -47.4311 -47.4311 -47.4301 -47.4301 -20.3445 -20.3445 -20.2817 -20.2817 -19.4805 -19.4805 -19.4654 -19.4654 -19.3257 -19.3257 -19.3063 -19.3063 -19.2689 -19.2689 -19.2636 -19.2636 -11.3976 -11.3976 -11.3618 -11.3618 -3.9481 -3.9481 -3.6153 -3.6153 -2.6751 -2.6751 -2.4330 -2.4330 -2.4205 -2.4205 -2.1639 -2.1639 2.0624 2.0624 2.4211 2.4211 2.4663 2.4663 2.5274 2.5274 8.8765 8.8765 9.0952 9.0952 9.2514 9.2514 k = 0.3261-0.0000-0.0000 ( 5131 PWs) bands (ev): -47.4310 -47.4310 -47.4301 -47.4301 -20.3444 -20.3444 -20.2850 -20.2850 -19.4793 -19.4793 -19.4649 -19.4649 -19.3248 -19.3248 -19.3064 -19.3064 -19.2671 -19.2671 -19.2621 -19.2621 -11.3960 -11.3960 -11.3621 -11.3621 -3.9402 -3.9402 -3.6208 -3.6208 -2.6906 -2.6906 -2.4507 -2.4507 -2.4188 -2.4188 -2.1689 -2.1689 2.0795 2.0795 2.4083 2.4083 2.4516 2.4516 2.5201 2.5201 8.8857 8.8857 9.1786 9.1786 9.2418 9.2418 k = 0.3370-0.0000-0.0000 ( 5133 PWs) bands (ev): -47.4309 -47.4309 -47.4300 -47.4300 -20.3443 -20.3443 -20.2884 -20.2884 -19.4781 -19.4781 -19.4645 -19.4645 -19.3239 -19.3239 -19.3065 -19.3065 -19.2652 -19.2652 -19.2606 -19.2606 -11.3944 -11.3944 -11.3624 -11.3624 -3.9322 -3.9322 -3.6270 -3.6270 -2.7047 -2.7047 -2.4741 -2.4741 -2.4108 -2.4108 -2.1741 -2.1741 2.0967 2.0967 2.3962 2.3962 2.4374 2.4374 2.5124 2.5124 8.8952 8.8952 9.2315 9.2315 9.2637 9.2637 k = 0.3478-0.0000-0.0000 ( 5133 PWs) bands (ev): -47.4308 -47.4308 -47.4300 -47.4300 -20.3441 -20.3441 -20.2917 -20.2917 -19.4769 -19.4769 -19.4642 -19.4642 -19.3230 -19.3230 -19.3067 -19.3067 -19.2635 -19.2635 -19.2592 -19.2592 -11.3928 -11.3928 -11.3628 -11.3628 -3.9238 -3.9238 -3.6339 -3.6339 -2.7174 -2.7174 -2.4972 -2.4972 -2.4022 -2.4022 -2.1795 -2.1795 2.1140 2.1140 2.3846 2.3846 2.4236 2.4236 2.5043 2.5043 8.9049 8.9049 9.2215 9.2215 9.3493 9.3493 k = 0.3587-0.0000-0.0000 ( 5127 PWs) bands (ev): -47.4307 -47.4307 -47.4300 -47.4300 -20.3438 -20.3438 -20.2949 -20.2949 -19.4758 -19.4758 -19.4639 -19.4639 -19.3220 -19.3220 -19.3069 -19.3069 -19.2617 -19.2617 -19.2579 -19.2579 -11.3912 -11.3912 -11.3632 -11.3632 -3.9152 -3.9152 -3.6415 -3.6415 -2.7286 -2.7286 -2.5198 -2.5198 -2.3935 -2.3935 -2.1852 -2.1852 2.1312 2.1312 2.3738 2.3738 2.4105 2.4105 2.4957 2.4957 8.9148 8.9148 9.2110 9.2110 9.4363 9.4363 k = 0.3696-0.0000-0.0000 ( 5127 PWs) bands (ev): -47.4306 -47.4306 -47.4299 -47.4299 -20.3433 -20.3433 -20.2981 -20.2981 -19.4747 -19.4747 -19.4636 -19.4636 -19.3211 -19.3211 -19.3071 -19.3071 -19.2601 -19.2601 -19.2566 -19.2566 -11.3896 -11.3896 -11.3637 -11.3637 -3.9063 -3.9063 -3.6496 -3.6496 -2.7382 -2.7382 -2.5418 -2.5418 -2.3846 -2.3846 -2.1911 -2.1911 2.1484 2.1484 2.3636 2.3636 2.3980 2.3980 2.4868 2.4868 8.9249 8.9249 9.2003 9.2003 9.5244 9.5244 k = 0.3804-0.0000-0.0000 ( 5127 PWs) bands (ev): -47.4305 -47.4305 -47.4299 -47.4299 -20.3428 -20.3428 -20.3012 -20.3012 -19.4736 -19.4736 -19.4634 -19.4634 -19.3202 -19.3202 -19.3073 -19.3073 -19.2586 -19.2586 -19.2554 -19.2554 -11.3881 -11.3881 -11.3642 -11.3642 -3.8971 -3.8971 -3.6584 -3.6584 -2.7462 -2.7462 -2.5629 -2.5629 -2.3757 -2.3757 -2.1972 -2.1972 2.1655 2.1655 2.3543 2.3543 2.3862 2.3862 2.4773 2.4773 8.9353 8.9353 9.1893 9.1893 9.6133 9.6133 k = 0.3913-0.0000-0.0000 ( 5127 PWs) bands (ev): -47.4305 -47.4305 -47.4299 -47.4299 -20.3422 -20.3422 -20.3042 -20.3042 -19.4726 -19.4726 -19.4633 -19.4633 -19.3194 -19.3194 -19.3076 -19.3076 -19.2571 -19.2571 -19.2543 -19.2543 -11.3866 -11.3866 -11.3647 -11.3647 -3.8876 -3.8876 -3.6677 -3.6677 -2.7526 -2.7526 -2.5833 -2.5833 -2.3667 -2.3667 -2.2036 -2.2036 2.1826 2.1826 2.3457 2.3457 2.3751 2.3751 2.4675 2.4675 8.9458 8.9458 9.1781 9.1781 9.7032 9.7032 k = 0.4022-0.0000-0.0000 ( 5109 PWs) bands (ev): -47.4304 -47.4304 -47.4299 -47.4299 -20.3414 -20.3414 -20.3072 -20.3072 -19.4716 -19.4716 -19.4631 -19.4631 -19.3185 -19.3185 -19.3078 -19.3078 -19.2558 -19.2558 -19.2532 -19.2532 -11.3851 -11.3851 -11.3653 -11.3653 -3.8779 -3.8779 -3.6776 -3.6776 -2.7574 -2.7574 -2.6027 -2.6027 -2.3577 -2.3577 -2.2102 -2.2102 2.1995 2.1995 2.3380 2.3380 2.3648 2.3648 2.4572 2.4572 8.9565 8.9565 9.1667 9.1667 9.7938 9.7938 k = 0.4130-0.0000-0.0000 ( 5113 PWs) bands (ev): -47.4303 -47.4303 -47.4299 -47.4299 -20.3405 -20.3405 -20.3101 -20.3101 -19.4706 -19.4706 -19.4631 -19.4631 -19.3176 -19.3176 -19.3081 -19.3081 -19.2546 -19.2546 -19.2523 -19.2523 -11.3836 -11.3836 -11.3660 -11.3660 -3.8678 -3.8678 -3.6879 -3.6879 -2.7606 -2.7606 -2.6213 -2.6213 -2.3487 -2.3487 -2.2170 -2.2170 2.2161 2.2161 2.3312 2.3312 2.3554 2.3554 2.4465 2.4465 8.9674 8.9674 9.1552 9.1552 9.8852 9.8852 k = 0.4239-0.0000-0.0000 ( 5117 PWs) bands (ev): -47.4302 -47.4302 -47.4298 -47.4298 -20.3396 -20.3396 -20.3128 -20.3128 -19.4697 -19.4697 -19.4631 -19.4631 -19.3168 -19.3168 -19.3085 -19.3085 -19.2536 -19.2536 -19.2515 -19.2515 -11.3821 -11.3821 -11.3667 -11.3667 -3.8576 -3.8576 -3.6986 -3.6986 -2.7622 -2.7622 -2.6389 -2.6389 -2.3398 -2.3398 -2.2241 -2.2241 2.2326 2.2326 2.3253 2.3253 2.3469 2.3469 2.4353 2.4353 8.9785 8.9785 9.1435 9.1435 9.9772 9.9772 k = 0.4348-0.0000-0.0000 ( 5111 PWs) bands (ev): -47.4302 -47.4302 -47.4298 -47.4298 -20.3384 -20.3384 -20.3155 -20.3155 -19.4689 -19.4689 -19.4632 -19.4632 -19.3160 -19.3160 -19.3089 -19.3089 -19.2526 -19.2526 -19.2508 -19.2508 -11.3807 -11.3807 -11.3675 -11.3675 -3.8470 -3.8470 -3.7096 -3.7096 -2.7623 -2.7623 -2.6555 -2.6555 -2.3308 -2.3308 -2.2313 -2.2313 2.2487 2.2487 2.3204 2.3204 2.3393 2.3393 2.4237 2.4237 8.9897 8.9897 9.1317 9.1317 10.0697 10.0697 k = 0.4457-0.0000-0.0000 ( 5091 PWs) bands (ev): -47.4301 -47.4301 -47.4298 -47.4298 -20.3372 -20.3372 -20.3181 -20.3181 -19.4681 -19.4681 -19.4632 -19.4632 -19.3152 -19.3152 -19.3092 -19.3092 -19.2517 -19.2517 -19.2501 -19.2501 -11.3794 -11.3794 -11.3683 -11.3683 -3.8362 -3.8362 -3.7209 -3.7209 -2.7608 -2.7608 -2.6711 -2.6711 -2.3219 -2.3219 -2.2387 -2.2387 2.2643 2.2643 2.3164 2.3164 2.3328 2.3328 2.4117 2.4117 9.0012 9.0012 9.1198 9.1198 10.1627 10.1627 k = 0.4565-0.0000-0.0000 ( 5075 PWs) bands (ev): -47.4300 -47.4300 -47.4298 -47.4298 -20.3358 -20.3358 -20.3205 -20.3205 -19.4673 -19.4673 -19.4634 -19.4634 -19.3145 -19.3145 -19.3096 -19.3096 -19.2508 -19.2508 -19.2497 -19.2497 -11.3781 -11.3781 -11.3692 -11.3692 -3.8252 -3.8252 -3.7324 -3.7324 -2.7578 -2.7578 -2.6856 -2.6856 -2.3130 -2.3130 -2.2463 -2.2463 2.2793 2.2793 2.3136 2.3136 2.3277 2.3277 2.3993 2.3993 9.0127 9.0127 9.1079 9.1079 10.2561 10.2561 k = 0.4674-0.0000-0.0000 ( 5083 PWs) bands (ev): -47.4300 -47.4300 -47.4298 -47.4298 -20.3344 -20.3344 -20.3228 -20.3228 -19.4666 -19.4666 -19.4638 -19.4638 -19.3138 -19.3138 -19.3102 -19.3102 -19.2502 -19.2502 -19.2494 -19.2494 -11.3768 -11.3768 -11.3701 -11.3701 -3.8139 -3.8139 -3.7440 -3.7440 -2.7534 -2.7534 -2.6990 -2.6990 -2.3043 -2.3043 -2.2542 -2.2542 2.2926 2.2926 2.3117 2.3117 2.3247 2.3247 2.3865 2.3865 9.0243 9.0243 9.0959 9.0959 10.3497 10.3497 k = 0.4783-0.0000-0.0000 ( 5081 PWs) bands (ev): -47.4300 -47.4300 -47.4298 -47.4298 -20.3328 -20.3328 -20.3251 -20.3251 -19.4660 -19.4660 -19.4641 -19.4641 -19.3131 -19.3131 -19.3107 -19.3107 -19.2497 -19.2497 -19.2492 -19.2492 -11.3755 -11.3755 -11.3711 -11.3711 -3.8025 -3.8025 -3.7558 -3.7558 -2.7476 -2.7476 -2.7112 -2.7112 -2.2957 -2.2957 -2.2622 -2.2622 2.3021 2.3021 2.3106 2.3106 2.3262 2.3262 2.3734 2.3734 9.0361 9.0361 9.0839 9.0839 10.4435 10.4435 k = 0.4891-0.0000-0.0000 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3310 -20.3310 -20.3272 -20.3272 -19.4654 -19.4654 -19.4645 -19.4645 -19.3124 -19.3124 -19.3113 -19.3113 -19.2494 -19.2494 -19.2492 -19.2492 -11.3744 -11.3744 -11.3721 -11.3721 -3.7910 -3.7910 -3.7675 -3.7675 -2.7405 -2.7405 -2.7222 -2.7222 -2.2871 -2.2871 -2.2703 -2.2703 2.3062 2.3062 2.3094 2.3094 2.3347 2.3347 2.3601 2.3601 9.0479 9.0479 9.0718 9.0718 10.5373 10.5373 k = 0.5000-0.0000-0.0000 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3292 -20.3292 -20.3292 -20.3292 -19.4650 -19.4650 -19.4650 -19.4650 -19.3118 -19.3118 -19.3118 -19.3118 -19.2492 -19.2492 -19.2492 -19.2492 -11.3732 -11.3732 -11.3732 -11.3732 -3.7793 -3.7793 -3.7793 -3.7793 -2.7320 -2.7320 -2.7320 -2.7320 -2.2787 -2.2787 -2.2787 -2.2787 2.3079 2.3079 2.3079 2.3079 2.3469 2.3469 2.3469 2.3469 9.0599 9.0599 9.0599 9.0599 10.6311 10.6311 k = 0.5000-0.0000-0.0000 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3292 -20.3292 -20.3292 -20.3292 -19.4650 -19.4650 -19.4650 -19.4650 -19.3118 -19.3118 -19.3118 -19.3118 -19.2492 -19.2492 -19.2492 -19.2492 -11.3732 -11.3732 -11.3732 -11.3732 -3.7793 -3.7793 -3.7793 -3.7793 -2.7320 -2.7320 -2.7320 -2.7320 -2.2787 -2.2787 -2.2787 -2.2787 2.3079 2.3079 2.3079 2.3079 2.3469 2.3469 2.3469 2.3469 9.0599 9.0599 9.0599 9.0599 10.6311 10.6311 k = 0.5000 0.0109-0.0000 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3290 -20.3290 -20.3290 -20.3290 -19.4652 -19.4652 -19.4648 -19.4648 -19.3119 -19.3119 -19.3118 -19.3118 -19.2496 -19.2496 -19.2492 -19.2492 -11.3733 -11.3733 -11.3733 -11.3733 -3.7789 -3.7789 -3.7789 -3.7789 -2.7321 -2.7321 -2.7319 -2.7319 -2.2790 -2.2790 -2.2786 -2.2786 2.3043 2.3043 2.3096 2.3096 2.3453 2.3453 2.3506 2.3506 9.0588 9.0588 9.0592 9.0592 10.6336 10.6336 k = 0.5000 0.0217-0.0000 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3284 -20.3284 -20.3284 -20.3284 -19.4655 -19.4655 -19.4647 -19.4647 -19.3120 -19.3120 -19.3118 -19.3118 -19.2503 -19.2503 -19.2496 -19.2496 -11.3736 -11.3736 -11.3735 -11.3735 -3.7778 -3.7778 -3.7777 -3.7777 -2.7322 -2.7322 -2.7318 -2.7318 -2.2795 -2.2795 -2.2788 -2.2788 2.2995 2.2995 2.3087 2.3087 2.3463 2.3463 2.3556 2.3556 9.0559 9.0559 9.0567 9.0567 10.6412 10.6412 k = 0.5000 0.0326-0.0000 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3275 -20.3275 -20.3275 -20.3275 -19.4660 -19.4660 -19.4648 -19.4648 -19.3121 -19.3121 -19.3119 -19.3119 -19.2513 -19.2513 -19.2503 -19.2503 -11.3740 -11.3740 -11.3738 -11.3738 -3.7759 -3.7759 -3.7758 -3.7758 -2.7323 -2.7323 -2.7316 -2.7316 -2.2804 -2.2804 -2.2792 -2.2792 2.2938 2.2938 2.3054 2.3054 2.3497 2.3497 2.3614 2.3614 9.0513 9.0513 9.0526 9.0526 10.6540 10.6540 k = 0.5000 0.0434-0.0000 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3261 -20.3261 -20.3261 -20.3261 -19.4665 -19.4665 -19.4649 -19.4649 -19.3122 -19.3122 -19.3119 -19.3119 -19.2527 -19.2527 -19.2513 -19.2513 -11.3745 -11.3745 -11.3743 -11.3743 -3.7732 -3.7732 -3.7730 -3.7730 -2.7324 -2.7324 -2.7315 -2.7315 -2.2814 -2.2814 -2.2798 -2.2798 2.2875 2.2875 2.3002 2.3002 2.3551 2.3551 2.3680 2.3680 9.0452 9.0452 9.0468 9.0468 10.6718 10.6720 k = 0.5000 0.0543-0.0000 ( 5110 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3244 -20.3244 -20.3244 -20.3244 -19.4671 -19.4671 -19.4651 -19.4651 -19.3124 -19.3124 -19.3119 -19.3119 -19.2545 -19.2545 -19.2527 -19.2527 -11.3752 -11.3752 -11.3749 -11.3749 -3.7698 -3.7698 -3.7695 -3.7695 -2.7326 -2.7326 -2.7314 -2.7314 -2.2827 -2.2827 -2.2807 -2.2807 2.2806 2.2806 2.2939 2.2939 2.3617 2.3617 2.3752 2.3752 9.0376 9.0376 9.0396 9.0396 10.6945 10.6946 k = 0.5000 0.0651-0.0000 ( 5110 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3224 -20.3224 -20.3223 -20.3223 -19.4679 -19.4679 -19.4654 -19.4654 -19.3125 -19.3125 -19.3120 -19.3120 -19.2565 -19.2565 -19.2544 -19.2544 -11.3761 -11.3761 -11.3757 -11.3757 -3.7656 -3.7656 -3.7653 -3.7653 -2.7328 -2.7328 -2.7313 -2.7313 -2.2842 -2.2842 -2.2818 -2.2818 2.2732 2.2732 2.2866 2.2866 2.3694 2.3694 2.3831 2.3831 9.0288 9.0288 9.0312 9.0312 10.7217 10.7225 k = 0.5000 0.0760-0.0000 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3200 -20.3200 -20.3199 -20.3199 -19.4686 -19.4686 -19.4658 -19.4658 -19.3127 -19.3127 -19.3120 -19.3120 -19.2588 -19.2588 -19.2563 -19.2563 -11.3770 -11.3770 -11.3765 -11.3765 -3.7607 -3.7607 -3.7604 -3.7604 -2.7330 -2.7330 -2.7313 -2.7313 -2.2858 -2.2858 -2.2831 -2.2831 2.2653 2.2653 2.2786 2.2786 2.3779 2.3779 2.3916 2.3916 9.0189 9.0189 9.0217 9.0217 10.7534 10.7534 k = 0.5000 0.0868-0.0000 ( 5108 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3172 -20.3172 -20.3172 -20.3172 -19.4695 -19.4695 -19.4663 -19.4663 -19.3129 -19.3129 -19.3121 -19.3121 -19.2615 -19.2615 -19.2586 -19.2586 -11.3781 -11.3781 -11.3776 -11.3776 -3.7551 -3.7551 -3.7547 -3.7547 -2.7334 -2.7334 -2.7313 -2.7313 -2.2877 -2.2877 -2.2845 -2.2845 2.2567 2.2567 2.2699 2.2699 2.3872 2.3872 2.4008 2.4008 9.0082 9.0082 9.0113 9.0113 10.7892 10.7892 k = 0.5000 0.0977-0.0000 ( 5108 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3142 -20.3142 -20.3141 -20.3141 -19.4705 -19.4705 -19.4668 -19.4668 -19.3131 -19.3131 -19.3122 -19.3122 -19.2644 -19.2644 -19.2612 -19.2612 -11.3793 -11.3793 -11.3787 -11.3787 -3.7488 -3.7488 -3.7484 -3.7484 -2.7338 -2.7338 -2.7315 -2.7315 -2.2897 -2.2897 -2.2861 -2.2861 2.2476 2.2476 2.2605 2.2605 2.3972 2.3972 2.4106 2.4106 8.9968 8.9968 9.0002 9.0002 10.8289 10.8299 k = 0.5000 0.1085-0.0000 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3108 -20.3108 -20.3107 -20.3107 -19.4716 -19.4716 -19.4675 -19.4675 -19.3133 -19.3133 -19.3123 -19.3123 -19.2675 -19.2675 -19.2640 -19.2640 -11.3806 -11.3806 -11.3799 -11.3799 -3.7419 -3.7419 -3.7414 -3.7414 -2.7344 -2.7344 -2.7318 -2.7318 -2.2919 -2.2919 -2.2878 -2.2878 2.2380 2.2380 2.2506 2.2506 2.4080 2.4080 2.4212 2.4212 8.9850 8.9850 8.9887 8.9887 10.8723 10.8723 k = 0.5000 0.1194-0.0000 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3071 -20.3071 -20.3070 -20.3070 -19.4728 -19.4728 -19.4682 -19.4682 -19.3135 -19.3135 -19.3124 -19.3124 -19.2708 -19.2708 -19.2670 -19.2670 -11.3819 -11.3819 -11.3812 -11.3812 -3.7343 -3.7343 -3.7338 -3.7338 -2.7352 -2.7352 -2.7323 -2.7323 -2.2941 -2.2941 -2.2896 -2.2896 2.2278 2.2278 2.2402 2.2402 2.4194 2.4194 2.4323 2.4323 8.9728 8.9728 8.9768 8.9768 10.9190 10.9190 k = 0.5000 0.1302-0.0000 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3032 -20.3032 -20.3031 -20.3031 -19.4741 -19.4741 -19.4690 -19.4690 -19.3138 -19.3138 -19.3125 -19.3125 -19.2743 -19.2743 -19.2702 -19.2702 -11.3834 -11.3834 -11.3827 -11.3827 -3.7261 -3.7261 -3.7256 -3.7256 -2.7363 -2.7363 -2.7330 -2.7330 -2.2965 -2.2965 -2.2915 -2.2915 2.2172 2.2172 2.2292 2.2292 2.4314 2.4314 2.4440 2.4440 8.9605 8.9605 8.9648 8.9648 10.9691 10.9696 k = 0.5000 0.1411-0.0000 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2990 -20.2990 -20.2989 -20.2989 -19.4755 -19.4755 -19.4700 -19.4700 -19.3142 -19.3142 -19.3126 -19.3126 -19.2780 -19.2780 -19.2736 -19.2736 -11.3850 -11.3850 -11.3841 -11.3841 -3.7173 -3.7173 -3.7168 -3.7168 -2.7375 -2.7375 -2.7338 -2.7338 -2.2989 -2.2989 -2.2934 -2.2934 2.2061 2.2061 2.2179 2.2179 2.4439 2.4439 2.4564 2.4564 8.9483 8.9483 8.9527 8.9527 11.0220 11.0227 k = 0.5000 0.1519-0.0000 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2946 -20.2946 -20.2945 -20.2945 -19.4771 -19.4771 -19.4711 -19.4711 -19.3147 -19.3147 -19.3128 -19.3128 -19.2817 -19.2817 -19.2771 -19.2771 -11.3866 -11.3866 -11.3857 -11.3857 -3.7081 -3.7081 -3.7075 -3.7075 -2.7391 -2.7391 -2.7350 -2.7350 -2.3014 -2.3014 -2.2954 -2.2954 2.1947 2.1947 2.2061 2.2061 2.4570 2.4570 2.4692 2.4692 8.9362 8.9362 8.9409 8.9409 11.0778 11.0781 k = 0.5000 0.1628-0.0000 ( 5108 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2899 -20.2899 -20.2899 -20.2899 -19.4788 -19.4788 -19.4723 -19.4723 -19.3152 -19.3152 -19.3130 -19.3130 -19.2855 -19.2855 -19.2807 -19.2807 -11.3882 -11.3882 -11.3873 -11.3873 -3.6983 -3.6983 -3.6978 -3.6978 -2.7409 -2.7409 -2.7365 -2.7365 -2.3038 -2.3038 -2.2973 -2.2973 2.1829 2.1829 2.1941 2.1941 2.4705 2.4705 2.4824 2.4824 8.9243 8.9243 8.9292 8.9292 11.1359 11.1365 k = 0.5000 0.1736-0.0000 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2851 -20.2851 -20.2851 -20.2851 -19.4805 -19.4805 -19.4736 -19.4736 -19.3159 -19.3159 -19.3132 -19.3132 -19.2892 -19.2892 -19.2844 -19.2844 -11.3899 -11.3899 -11.3890 -11.3890 -3.6881 -3.6881 -3.6876 -3.6876 -2.7431 -2.7431 -2.7383 -2.7383 -2.3062 -2.3062 -2.2992 -2.2992 2.1709 2.1709 2.1818 2.1818 2.4844 2.4844 2.4961 2.4961 8.9129 8.9129 8.9180 8.9180 11.1966 11.1973 k = 0.5000 0.1845-0.0000 ( 5110 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2802 -20.2802 -20.2801 -20.2801 -19.4824 -19.4824 -19.4749 -19.4749 -19.3167 -19.3167 -19.3135 -19.3135 -19.2929 -19.2929 -19.2881 -19.2881 -11.3917 -11.3917 -11.3907 -11.3907 -3.6776 -3.6776 -3.6770 -3.6770 -2.7456 -2.7456 -2.7404 -2.7404 -2.3085 -2.3085 -2.3010 -2.3010 2.1587 2.1587 2.1694 2.1694 2.4985 2.4985 2.5101 2.5101 8.9019 8.9019 8.9072 8.9072 11.2592 11.2592 k = 0.5000 0.1954-0.0000 ( 5114 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2751 -20.2751 -20.2750 -20.2750 -19.4843 -19.4843 -19.4764 -19.4764 -19.3177 -19.3177 -19.3137 -19.3137 -19.2963 -19.2963 -19.2918 -19.2918 -11.3934 -11.3934 -11.3924 -11.3924 -3.6667 -3.6667 -3.6661 -3.6661 -2.7485 -2.7485 -2.7429 -2.7429 -2.3107 -2.3107 -2.3027 -2.3027 2.1464 2.1464 2.1569 2.1569 2.5129 2.5129 2.5242 2.5242 8.8914 8.8914 8.8969 8.8969 11.3239 11.3243 k = 0.5000 0.2062-0.0000 ( 5118 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2700 -20.2700 -20.2699 -20.2699 -19.4864 -19.4864 -19.4780 -19.4780 -19.3190 -19.3190 -19.3141 -19.3141 -19.2995 -19.2995 -19.2955 -19.2955 -11.3952 -11.3952 -11.3941 -11.3941 -3.6555 -3.6555 -3.6549 -3.6549 -2.7518 -2.7518 -2.7458 -2.7458 -2.3128 -2.3128 -2.3043 -2.3043 2.1341 2.1341 2.1443 2.1443 2.5273 2.5273 2.5386 2.5386 8.8815 8.8815 8.8871 8.8871 11.3907 11.3922 k = 0.5000 0.2171-0.0000 ( 5118 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2648 -20.2648 -20.2647 -20.2647 -19.4886 -19.4886 -19.4797 -19.4797 -19.3207 -19.3207 -19.3145 -19.3145 -19.3022 -19.3022 -19.2989 -19.2989 -11.3969 -11.3969 -11.3958 -11.3958 -3.6441 -3.6441 -3.6436 -3.6436 -2.7555 -2.7555 -2.7490 -2.7490 -2.3147 -2.3147 -2.3057 -2.3057 2.1218 2.1218 2.1319 2.1319 2.5418 2.5418 2.5529 2.5529 8.8722 8.8722 8.8780 8.8780 11.4590 11.4604 k = 0.5000 0.2279-0.0000 ( 5118 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2596 -20.2596 -20.2595 -20.2595 -19.4908 -19.4908 -19.4815 -19.4815 -19.3227 -19.3227 -19.3150 -19.3150 -19.3044 -19.3044 -19.3022 -19.3022 -11.3986 -11.3986 -11.3974 -11.3974 -3.6326 -3.6326 -3.6321 -3.6321 -2.7595 -2.7595 -2.7526 -2.7526 -2.3164 -2.3164 -2.3070 -2.3070 2.1097 2.1097 2.1196 2.1196 2.5562 2.5562 2.5672 2.5672 8.8635 8.8635 8.8695 8.8695 11.5290 11.5302 k = 0.5000 0.2388-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2544 -20.2544 -20.2543 -20.2543 -19.4931 -19.4931 -19.4834 -19.4834 -19.3252 -19.3252 -19.3158 -19.3158 -19.3062 -19.3062 -19.3052 -19.3052 -11.4003 -11.4003 -11.3991 -11.3991 -3.6211 -3.6211 -3.6206 -3.6206 -2.7639 -2.7639 -2.7566 -2.7566 -2.3180 -2.3180 -2.3081 -2.3081 2.0978 2.0978 2.1076 2.1076 2.5705 2.5705 2.5813 2.5813 8.8554 8.8554 8.8616 8.8616 11.6002 11.6002 k = 0.5000 0.2496-0.0000 ( 5122 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2493 -20.2493 -20.2492 -20.2492 -19.4954 -19.4954 -19.4853 -19.4853 -19.3278 -19.3278 -19.3169 -19.3169 -19.3076 -19.3076 -19.3076 -19.3076 -11.4020 -11.4020 -11.4007 -11.4007 -3.6096 -3.6096 -3.6091 -3.6091 -2.7686 -2.7686 -2.7609 -2.7609 -2.3193 -2.3193 -2.3090 -2.3090 2.0862 2.0862 2.0958 2.0958 2.5844 2.5844 2.5952 2.5952 8.8481 8.8481 8.8544 8.8544 11.6728 11.6740 k = 0.5000 0.2605-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2443 -20.2443 -20.2442 -20.2442 -19.4978 -19.4978 -19.4872 -19.4872 -19.3307 -19.3307 -19.3186 -19.3186 -19.3095 -19.3095 -19.3086 -19.3086 -11.4035 -11.4035 -11.4022 -11.4022 -3.5982 -3.5982 -3.5977 -3.5977 -2.7735 -2.7735 -2.7655 -2.7655 -2.3205 -2.3205 -2.3097 -2.3097 2.0750 2.0750 2.0845 2.0845 2.5980 2.5980 2.6086 2.6086 8.8414 8.8414 8.8478 8.8478 11.7465 11.7474 k = 0.5000 0.2713-0.0000 ( 5122 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2394 -20.2394 -20.2394 -20.2394 -19.5002 -19.5002 -19.4892 -19.4892 -19.3335 -19.3335 -19.3206 -19.3206 -19.3107 -19.3107 -19.3094 -19.3094 -11.4051 -11.4051 -11.4037 -11.4037 -3.5870 -3.5870 -3.5866 -3.5866 -2.7786 -2.7786 -2.7703 -2.7703 -2.3214 -2.3214 -2.3103 -2.3103 2.0643 2.0643 2.0736 2.0736 2.6111 2.6111 2.6216 2.6216 8.8353 8.8353 8.8419 8.8419 11.8212 11.8212 k = 0.5000 0.2822-0.0000 ( 5130 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2348 -20.2348 -20.2347 -20.2347 -19.5025 -19.5025 -19.4912 -19.4912 -19.3363 -19.3363 -19.3229 -19.3229 -19.3115 -19.3115 -19.3100 -19.3100 -11.4065 -11.4065 -11.4051 -11.4051 -3.5761 -3.5761 -3.5757 -3.5757 -2.7839 -2.7839 -2.7752 -2.7752 -2.3222 -2.3222 -2.3107 -2.3107 2.0541 2.0541 2.0633 2.0633 2.6235 2.6235 2.6340 2.6340 8.8299 8.8299 8.8366 8.8366 11.8971 11.8971 k = 0.5000 0.2930-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2303 -20.2303 -20.2303 -20.2303 -19.5048 -19.5048 -19.4932 -19.4932 -19.3390 -19.3390 -19.3252 -19.3252 -19.3120 -19.3120 -19.3105 -19.3105 -11.4078 -11.4078 -11.4065 -11.4065 -3.5657 -3.5657 -3.5653 -3.5653 -2.7892 -2.7892 -2.7802 -2.7802 -2.3228 -2.3228 -2.3110 -2.3110 2.0445 2.0445 2.0537 2.0537 2.6353 2.6353 2.6457 2.6457 8.8250 8.8250 8.8319 8.8319 11.9727 11.9732 k = 0.5000 0.3039-0.0000 ( 5128 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2262 -20.2262 -20.2261 -20.2261 -19.5070 -19.5070 -19.4951 -19.4951 -19.3415 -19.3415 -19.3274 -19.3274 -19.3124 -19.3124 -19.3109 -19.3109 -11.4091 -11.4091 -11.4077 -11.4077 -3.5558 -3.5558 -3.5554 -3.5554 -2.7944 -2.7944 -2.7851 -2.7851 -2.3232 -2.3232 -2.3111 -2.3111 2.0356 2.0356 2.0447 2.0447 2.6463 2.6463 2.6567 2.6567 8.8208 8.8208 8.8277 8.8277 12.0487 12.0489 k = 0.5000 0.3147-0.0000 ( 5132 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2223 -20.2223 -20.2223 -20.2223 -19.5091 -19.5091 -19.4969 -19.4969 -19.3438 -19.3438 -19.3295 -19.3295 -19.3127 -19.3127 -19.3113 -19.3113 -11.4102 -11.4102 -11.4088 -11.4088 -3.5465 -3.5465 -3.5462 -3.5462 -2.7995 -2.7995 -2.7899 -2.7899 -2.3235 -2.3235 -2.3112 -2.3112 2.0275 2.0275 2.0365 2.0365 2.6564 2.6564 2.6667 2.6667 8.8171 8.8171 8.8241 8.8241 12.1237 12.1239 k = 0.5000 0.3256-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4298 -47.4298 -20.2188 -20.2188 -20.2188 -20.2188 -19.5110 -19.5110 -19.4986 -19.4986 -19.3458 -19.3458 -19.3313 -19.3313 -19.3129 -19.3129 -19.3115 -19.3115 -11.4113 -11.4113 -11.4098 -11.4098 -3.5379 -3.5379 -3.5377 -3.5377 -2.8043 -2.8043 -2.7945 -2.7945 -2.3238 -2.3238 -2.3112 -2.3112 2.0202 2.0202 2.0291 2.0291 2.6656 2.6656 2.6758 2.6758 8.8139 8.8139 8.8210 8.8210 12.1961 12.1961 k = 0.5000 0.3364-0.0000 ( 5130 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2157 -20.2157 -20.2157 -20.2157 -19.5128 -19.5128 -19.5002 -19.5002 -19.3476 -19.3476 -19.3330 -19.3330 -19.3130 -19.3130 -19.3117 -19.3117 -11.4122 -11.4122 -11.4107 -11.4107 -3.5303 -3.5303 -3.5301 -3.5301 -2.8087 -2.8087 -2.7988 -2.7988 -2.3239 -2.3239 -2.3111 -2.3111 2.0137 2.0137 2.0226 2.0226 2.6736 2.6736 2.6839 2.6839 8.8112 8.8112 8.8185 8.8185 12.2605 12.2607 k = 0.5000 0.3473-0.0000 ( 5130 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2130 -20.2130 -20.2130 -20.2130 -19.5143 -19.5143 -19.5015 -19.5015 -19.3492 -19.3492 -19.3344 -19.3344 -19.3132 -19.3132 -19.3119 -19.3119 -11.4129 -11.4129 -11.4115 -11.4115 -3.5236 -3.5236 -3.5234 -3.5234 -2.8127 -2.8127 -2.8026 -2.8026 -2.3239 -2.3239 -2.3110 -2.3110 2.0081 2.0081 2.0170 2.0170 2.6806 2.6806 2.6908 2.6908 8.8090 8.8090 8.8163 8.8163 12.3051 12.3052 k = 0.5000 0.3581-0.0000 ( 5126 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2107 -20.2107 -20.2107 -20.2107 -19.5156 -19.5156 -19.5027 -19.5027 -19.3504 -19.3504 -19.3356 -19.3356 -19.3133 -19.3133 -19.3120 -19.3120 -11.4136 -11.4136 -11.4121 -11.4121 -3.5179 -3.5179 -3.5178 -3.5178 -2.8161 -2.8161 -2.8059 -2.8059 -2.3239 -2.3239 -2.3109 -2.3109 2.0035 2.0035 2.0124 2.0124 2.6864 2.6864 2.6966 2.6966 8.8072 8.8072 8.8146 8.8146 12.3203 12.3205 k = 0.5000 0.3690-0.0000 ( 5128 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2089 -20.2089 -20.2089 -20.2089 -19.5167 -19.5167 -19.5036 -19.5036 -19.3514 -19.3514 -19.3365 -19.3365 -19.3133 -19.3133 -19.3121 -19.3121 -11.4141 -11.4141 -11.4126 -11.4126 -3.5134 -3.5134 -3.5134 -3.5134 -2.8189 -2.8189 -2.8085 -2.8085 -2.3239 -2.3239 -2.3108 -2.3108 1.9999 1.9999 2.0087 2.0087 2.6909 2.6909 2.7011 2.7011 8.8059 8.8059 8.8133 8.8133 12.3187 12.3192 k = 0.5000 0.3799-0.0000 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2077 -20.2077 -20.2077 -20.2077 -19.5174 -19.5174 -19.5043 -19.5043 -19.3521 -19.3521 -19.3371 -19.3371 -19.3134 -19.3134 -19.3122 -19.3122 -11.4144 -11.4144 -11.4129 -11.4129 -3.5102 -3.5102 -3.5101 -3.5101 -2.8209 -2.8209 -2.8104 -2.8104 -2.3239 -2.3239 -2.3107 -2.3107 1.9973 1.9973 2.0061 2.0061 2.6942 2.6942 2.7044 2.7044 8.8050 8.8050 8.8124 8.8124 12.3133 12.3140 k = 0.5000 0.3907-0.0000 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2069 -20.2069 -20.2069 -20.2069 -19.5179 -19.5179 -19.5047 -19.5047 -19.3526 -19.3526 -19.3375 -19.3375 -19.3134 -19.3134 -19.3122 -19.3122 -11.4147 -11.4147 -11.4132 -11.4132 -3.5082 -3.5082 -3.5082 -3.5082 -2.8222 -2.8222 -2.8116 -2.8116 -2.3239 -2.3239 -2.3106 -2.3106 1.9958 1.9958 2.0046 2.0046 2.6962 2.6962 2.7064 2.7064 8.8044 8.8044 8.8119 8.8119 12.3087 12.3098 k = 0.5000 0.4016-0.0000 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2066 -20.2066 -20.2066 -20.2066 -19.5180 -19.5180 -19.5049 -19.5049 -19.3527 -19.3527 -19.3377 -19.3377 -19.3134 -19.3134 -19.3122 -19.3122 -11.4147 -11.4147 -11.4132 -11.4132 -3.5075 -3.5075 -3.5075 -3.5075 -2.8226 -2.8226 -2.8120 -2.8120 -2.3239 -2.3239 -2.3106 -2.3106 1.9953 1.9953 2.0040 2.0040 2.6969 2.6969 2.7071 2.7071 8.8042 8.8042 8.8117 8.8117 12.3072 12.3084 k = 0.5000 0.4016-0.0000 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2066 -20.2066 -20.2066 -20.2066 -19.5180 -19.5180 -19.5049 -19.5049 -19.3527 -19.3527 -19.3377 -19.3377 -19.3134 -19.3134 -19.3122 -19.3122 -11.4147 -11.4147 -11.4132 -11.4132 -3.5075 -3.5075 -3.5075 -3.5075 -2.8226 -2.8226 -2.8120 -2.8120 -2.3239 -2.3239 -2.3106 -2.3106 1.9953 1.9953 2.0040 2.0040 2.6969 2.6969 2.7071 2.7071 8.8042 8.8042 8.8117 8.8117 12.3073 12.3084 k = 0.4891 0.4016-0.0000 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2068 -20.2068 -20.2068 -20.2068 -19.5180 -19.5180 -19.5048 -19.5048 -19.3526 -19.3526 -19.3376 -19.3376 -19.3134 -19.3134 -19.3122 -19.3122 -11.4149 -11.4149 -11.4134 -11.4134 -3.5078 -3.5078 -3.5078 -3.5078 -2.8218 -2.8218 -2.8112 -2.8112 -2.3239 -2.3239 -2.3106 -2.3106 1.9960 1.9960 2.0048 2.0048 2.6969 2.6969 2.7071 2.7071 8.8027 8.8027 8.8102 8.8102 12.3061 12.3070 k = 0.4783 0.4016-0.0000 ( 5128 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2075 -20.2075 -20.2075 -20.2075 -19.5177 -19.5177 -19.5045 -19.5045 -19.3525 -19.3525 -19.3373 -19.3373 -19.3132 -19.3132 -19.3119 -19.3119 -11.4154 -11.4154 -11.4139 -11.4139 -3.5087 -3.5087 -3.5087 -3.5087 -2.8194 -2.8194 -2.8089 -2.8089 -2.3239 -2.3239 -2.3106 -2.3106 1.9983 1.9983 2.0071 2.0071 2.6968 2.6968 2.7070 2.7070 8.7984 8.7984 8.8058 8.8058 12.3026 12.3033 k = 0.4674 0.4016-0.0000 ( 5130 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2086 -20.2086 -20.2086 -20.2086 -19.5173 -19.5173 -19.5041 -19.5041 -19.3521 -19.3521 -19.3368 -19.3368 -19.3129 -19.3129 -19.3114 -19.3114 -11.4162 -11.4162 -11.4147 -11.4147 -3.5101 -3.5101 -3.5101 -3.5101 -2.8155 -2.8155 -2.8050 -2.8050 -2.3240 -2.3240 -2.3107 -2.3107 2.0021 2.0021 2.0109 2.0109 2.6968 2.6968 2.7070 2.7070 8.7911 8.7911 8.7985 8.7985 12.2963 12.2967 k = 0.4565 0.4016-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2101 -20.2101 -20.2101 -20.2101 -19.5167 -19.5167 -19.5035 -19.5035 -19.3517 -19.3517 -19.3361 -19.3361 -19.3125 -19.3125 -19.3108 -19.3108 -11.4173 -11.4173 -11.4158 -11.4158 -3.5121 -3.5121 -3.5121 -3.5121 -2.8101 -2.8101 -2.7995 -2.7995 -2.3241 -2.3241 -2.3107 -2.3107 2.0073 2.0073 2.0162 2.0162 2.6967 2.6967 2.7070 2.7070 8.7809 8.7809 8.7883 8.7883 12.2869 12.2872 k = 0.4457 0.4016-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2120 -20.2120 -20.2120 -20.2120 -19.5159 -19.5159 -19.5027 -19.5027 -19.3512 -19.3512 -19.3352 -19.3352 -19.3120 -19.3120 -19.3099 -19.3099 -11.4188 -11.4188 -11.4173 -11.4173 -3.5147 -3.5147 -3.5146 -3.5146 -2.8032 -2.8032 -2.7926 -2.7926 -2.3241 -2.3241 -2.3107 -2.3107 2.0140 2.0140 2.0230 2.0230 2.6966 2.6966 2.7070 2.7070 8.7680 8.7680 8.7753 8.7753 12.2736 12.2738 k = 0.4348 0.4016-0.0000 ( 5126 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2143 -20.2143 -20.2143 -20.2143 -19.5150 -19.5150 -19.5017 -19.5017 -19.3505 -19.3505 -19.3342 -19.3342 -19.3113 -19.3113 -19.3089 -19.3089 -11.4205 -11.4205 -11.4190 -11.4190 -3.5177 -3.5177 -3.5177 -3.5177 -2.7949 -2.7949 -2.7842 -2.7842 -2.3242 -2.3242 -2.3107 -2.3107 2.0222 2.0222 2.0313 2.0313 2.6965 2.6965 2.7069 2.7069 8.7523 8.7523 8.7596 8.7596 12.2558 12.2566 k = 0.4239 0.4016-0.0000 ( 5126 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.2170 -20.2170 -20.2170 -20.2170 -19.5139 -19.5139 -19.5007 -19.5007 -19.3498 -19.3498 -19.3331 -19.3331 -19.3105 -19.3105 -19.3077 -19.3077 -11.4226 -11.4226 -11.4211 -11.4211 -3.5212 -3.5212 -3.5211 -3.5211 -2.7852 -2.7852 -2.7744 -2.7744 -2.3243 -2.3243 -2.3107 -2.3107 2.0318 2.0318 2.0410 2.0410 2.6964 2.6964 2.7069 2.7069 8.7340 8.7340 8.7412 8.7412 12.2341 12.2343 k = 0.4130 0.4016-0.0000 ( 5122 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.2201 -20.2201 -20.2201 -20.2201 -19.5127 -19.5127 -19.4994 -19.4994 -19.3490 -19.3490 -19.3318 -19.3318 -19.3095 -19.3095 -19.3063 -19.3063 -11.4249 -11.4249 -11.4234 -11.4234 -3.5252 -3.5252 -3.5251 -3.5251 -2.7742 -2.7742 -2.7634 -2.7634 -2.3243 -2.3243 -2.3106 -2.3106 2.0428 2.0428 2.0521 2.0521 2.6962 2.6962 2.7068 2.7068 8.7132 8.7132 8.7203 8.7203 12.2075 12.2089 k = 0.4022 0.4016-0.0000 ( 5122 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.2235 -20.2235 -20.2235 -20.2235 -19.5113 -19.5113 -19.4981 -19.4981 -19.3481 -19.3481 -19.3305 -19.3305 -19.3083 -19.3083 -19.3047 -19.3047 -11.4275 -11.4275 -11.4261 -11.4261 -3.5295 -3.5295 -3.5294 -3.5294 -2.7620 -2.7620 -2.7510 -2.7510 -2.3243 -2.3243 -2.3105 -2.3105 2.0551 2.0551 2.0645 2.0645 2.6960 2.6960 2.7068 2.7068 8.6899 8.6899 8.6969 8.6969 12.1775 12.1807 k = 0.3913 0.4016-0.0000 ( 5116 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.2273 -20.2273 -20.2273 -20.2273 -19.5099 -19.5099 -19.4966 -19.4966 -19.3471 -19.3471 -19.3292 -19.3292 -19.3068 -19.3068 -19.3028 -19.3028 -11.4304 -11.4304 -11.4290 -11.4290 -3.5342 -3.5342 -3.5341 -3.5341 -2.7486 -2.7486 -2.7375 -2.7375 -2.3242 -2.3242 -2.3103 -2.3103 2.0687 2.0687 2.0782 2.0782 2.6959 2.6959 2.7068 2.7068 8.6643 8.6643 8.6712 8.6712 12.1462 12.1464 k = 0.3804 0.4016-0.0000 ( 5120 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.2313 -20.2313 -20.2313 -20.2313 -19.5083 -19.5083 -19.4951 -19.4951 -19.3461 -19.3461 -19.3279 -19.3279 -19.3052 -19.3052 -19.3009 -19.3009 -11.4335 -11.4335 -11.4321 -11.4321 -3.5393 -3.5393 -3.5391 -3.5391 -2.7342 -2.7342 -2.7230 -2.7230 -2.3241 -2.3241 -2.3100 -2.3100 2.0835 2.0835 2.0932 2.0932 2.6957 2.6957 2.7067 2.7067 8.6366 8.6366 8.6433 8.6433 12.1119 12.1133 k = 0.3696 0.4016-0.0000 ( 5132 PWs) bands (ev): -47.4302 -47.4302 -47.4302 -47.4302 -20.2356 -20.2356 -20.2356 -20.2356 -19.5067 -19.5067 -19.4935 -19.4935 -19.3451 -19.3451 -19.3267 -19.3267 -19.3034 -19.3034 -19.2987 -19.2987 -11.4369 -11.4369 -11.4355 -11.4355 -3.5446 -3.5446 -3.5444 -3.5444 -2.7189 -2.7189 -2.7075 -2.7075 -2.3238 -2.3238 -2.3096 -2.3096 2.0994 2.0994 2.1093 2.1093 2.6954 2.6954 2.7067 2.7067 8.6068 8.6068 8.6133 8.6133 12.0773 12.0785 k = 0.3587 0.4016-0.0000 ( 5132 PWs) bands (ev): -47.4303 -47.4303 -47.4303 -47.4303 -20.2401 -20.2401 -20.2401 -20.2401 -19.5050 -19.5050 -19.4918 -19.4918 -19.3440 -19.3440 -19.3254 -19.3254 -19.3012 -19.3012 -19.2964 -19.2964 -11.4405 -11.4405 -11.4391 -11.4391 -3.5502 -3.5502 -3.5500 -3.5500 -2.7027 -2.7027 -2.6910 -2.6910 -2.3234 -2.3234 -2.3090 -2.3090 2.1165 2.1165 2.1266 2.1266 2.6952 2.6952 2.7067 2.7067 8.5751 8.5751 8.5815 8.5815 12.0417 12.0453 k = 0.3478 0.4016-0.0000 ( 5132 PWs) bands (ev): -47.4303 -47.4303 -47.4303 -47.4303 -20.2449 -20.2449 -20.2449 -20.2449 -19.5032 -19.5032 -19.4901 -19.4901 -19.3428 -19.3428 -19.3242 -19.3242 -19.2989 -19.2989 -19.2939 -19.2939 -11.4443 -11.4443 -11.4429 -11.4429 -3.5560 -3.5560 -3.5558 -3.5558 -2.6857 -2.6857 -2.6739 -2.6739 -2.3229 -2.3229 -2.3082 -2.3082 2.1346 2.1346 2.1449 2.1449 2.6950 2.6950 2.7067 2.7067 8.5417 8.5417 8.5480 8.5480 12.0065 12.0090 k = 0.3370 0.4016-0.0000 ( 5116 PWs) bands (ev): -47.4304 -47.4304 -47.4304 -47.4304 -20.2499 -20.2499 -20.2498 -20.2498 -19.5012 -19.5012 -19.4882 -19.4882 -19.3416 -19.3416 -19.3230 -19.3230 -19.2962 -19.2962 -19.2912 -19.2912 -11.4482 -11.4482 -11.4469 -11.4469 -3.5620 -3.5620 -3.5617 -3.5617 -2.6682 -2.6682 -2.6561 -2.6561 -2.3220 -2.3220 -2.3072 -2.3072 2.1537 2.1537 2.1643 2.1643 2.6949 2.6949 2.7068 2.7068 8.5068 8.5068 8.5129 8.5129 11.9714 11.9755 k = 0.3261 0.4016-0.0000 ( 5112 PWs) bands (ev): -47.4304 -47.4304 -47.4304 -47.4304 -20.2550 -20.2550 -20.2550 -20.2550 -19.4993 -19.4993 -19.4864 -19.4864 -19.3404 -19.3404 -19.3219 -19.3219 -19.2934 -19.2934 -19.2884 -19.2884 -11.4524 -11.4524 -11.4511 -11.4511 -3.5681 -3.5681 -3.5678 -3.5678 -2.6501 -2.6501 -2.6378 -2.6378 -2.3209 -2.3209 -2.3058 -2.3058 2.1736 2.1736 2.1845 2.1845 2.6947 2.6947 2.7068 2.7068 8.4705 8.4705 8.4764 8.4764 11.9370 11.9386 k = 0.3152 0.4016-0.0000 ( 5106 PWs) bands (ev): -47.4305 -47.4305 -47.4305 -47.4305 -20.2602 -20.2602 -20.2602 -20.2602 -19.4974 -19.4974 -19.4846 -19.4846 -19.3392 -19.3392 -19.3209 -19.3209 -19.2904 -19.2904 -19.2855 -19.2855 -11.4566 -11.4566 -11.4554 -11.4554 -3.5744 -3.5744 -3.5740 -3.5740 -2.6318 -2.6318 -2.6192 -2.6192 -2.3194 -2.3194 -2.3041 -2.3041 2.1943 2.1943 2.2055 2.2055 2.6945 2.6945 2.7070 2.7070 8.4329 8.4329 8.4387 8.4387 11.9028 11.9054 k = 0.3043 0.4016-0.0000 ( 5112 PWs) bands (ev): -47.4306 -47.4306 -47.4306 -47.4306 -20.2656 -20.2656 -20.2656 -20.2656 -19.4954 -19.4954 -19.4827 -19.4827 -19.3380 -19.3380 -19.3200 -19.3200 -19.2873 -19.2873 -19.2825 -19.2825 -11.4611 -11.4611 -11.4598 -11.4598 -3.5807 -3.5807 -3.5804 -3.5804 -2.6134 -2.6134 -2.6005 -2.6005 -2.3175 -2.3175 -2.3019 -2.3019 2.2157 2.2157 2.2272 2.2272 2.6943 2.6943 2.7071 2.7071 8.3943 8.3943 8.3999 8.3999 11.8692 11.8716 k = 0.2935 0.4016-0.0000 ( 5112 PWs) bands (ev): -47.4306 -47.4306 -47.4306 -47.4306 -20.2710 -20.2710 -20.2710 -20.2710 -19.4934 -19.4934 -19.4809 -19.4809 -19.3367 -19.3367 -19.3190 -19.3190 -19.2840 -19.2840 -19.2794 -19.2794 -11.4656 -11.4656 -11.4643 -11.4643 -3.5871 -3.5871 -3.5867 -3.5867 -2.5949 -2.5949 -2.5817 -2.5817 -2.3150 -2.3150 -2.2991 -2.2991 2.2377 2.2377 2.2496 2.2496 2.6942 2.6942 2.7073 2.7073 8.3549 8.3549 8.3602 8.3602 11.8364 11.8371 k = 0.2826 0.4016-0.0000 ( 5098 PWs) bands (ev): -47.4307 -47.4307 -47.4307 -47.4307 -20.2765 -20.2765 -20.2765 -20.2765 -19.4914 -19.4914 -19.4791 -19.4791 -19.3354 -19.3354 -19.3181 -19.3181 -19.2806 -19.2806 -19.2761 -19.2761 -11.4702 -11.4702 -11.4690 -11.4690 -3.5935 -3.5935 -3.5931 -3.5931 -2.5767 -2.5767 -2.5632 -2.5632 -2.3117 -2.3117 -2.2957 -2.2957 2.2602 2.2602 2.2724 2.2724 2.6941 2.6941 2.7077 2.7077 8.3147 8.3147 8.3199 8.3199 11.8044 11.8048 k = 0.2717 0.4016-0.0000 ( 5094 PWs) bands (ev): -47.4308 -47.4308 -47.4308 -47.4308 -20.2820 -20.2820 -20.2820 -20.2820 -19.4894 -19.4894 -19.4773 -19.4773 -19.3341 -19.3341 -19.3172 -19.3172 -19.2772 -19.2772 -19.2729 -19.2729 -11.4748 -11.4748 -11.4737 -11.4737 -3.5999 -3.5999 -3.5995 -3.5995 -2.5589 -2.5589 -2.5452 -2.5452 -2.3077 -2.3077 -2.2915 -2.2915 2.2830 2.2830 2.2957 2.2957 2.6941 2.6941 2.7081 2.7081 8.2741 8.2741 8.2790 8.2790 11.7732 11.7741 k = 0.2609 0.4016-0.0000 ( 5118 PWs) bands (ev): -47.4309 -47.4309 -47.4309 -47.4309 -20.2875 -20.2875 -20.2875 -20.2875 -19.4875 -19.4875 -19.4757 -19.4757 -19.3329 -19.3329 -19.3164 -19.3164 -19.2738 -19.2738 -19.2697 -19.2697 -11.4795 -11.4795 -11.4784 -11.4784 -3.6063 -3.6063 -3.6059 -3.6059 -2.5418 -2.5418 -2.5280 -2.5280 -2.3027 -2.3027 -2.2864 -2.2864 2.3060 2.3060 2.3192 2.3192 2.6941 2.6941 2.7085 2.7085 8.2331 8.2331 8.2378 8.2378 11.7427 11.7430 k = 0.2500 0.4016-0.0000 ( 5122 PWs) bands (ev): -47.4309 -47.4309 -47.4309 -47.4309 -20.2930 -20.2930 -20.2930 -20.2930 -19.4856 -19.4856 -19.4740 -19.4740 -19.3316 -19.3316 -19.3156 -19.3156 -19.2703 -19.2703 -19.2664 -19.2664 -11.4842 -11.4842 -11.4832 -11.4832 -3.6126 -3.6126 -3.6123 -3.6123 -2.5256 -2.5256 -2.5117 -2.5117 -2.2965 -2.2965 -2.2802 -2.2802 2.3292 2.3292 2.3429 2.3429 2.6943 2.6943 2.7091 2.7091 8.1920 8.1920 8.1965 8.1965 11.7130 11.7131 k = 0.2391 0.4016-0.0000 ( 5118 PWs) bands (ev): -47.4310 -47.4310 -47.4310 -47.4310 -20.2985 -20.2985 -20.2984 -20.2984 -19.4837 -19.4837 -19.4724 -19.4724 -19.3302 -19.3302 -19.3148 -19.3148 -19.2668 -19.2668 -19.2631 -19.2631 -11.4890 -11.4890 -11.4879 -11.4879 -3.6189 -3.6189 -3.6185 -3.6185 -2.5105 -2.5105 -2.4967 -2.4967 -2.2890 -2.2890 -2.2729 -2.2729 2.3524 2.3524 2.3666 2.3666 2.6945 2.6945 2.7099 2.7099 8.1509 8.1509 8.1552 8.1552 11.6840 11.6852 k = 0.2283 0.4016-0.0000 ( 5114 PWs) bands (ev): -47.4311 -47.4311 -47.4311 -47.4311 -20.3038 -20.3038 -20.3038 -20.3038 -19.4818 -19.4818 -19.4708 -19.4708 -19.3289 -19.3289 -19.3139 -19.3139 -19.2634 -19.2634 -19.2599 -19.2599 -11.4937 -11.4937 -11.4926 -11.4926 -3.6250 -3.6250 -3.6247 -3.6247 -2.4966 -2.4966 -2.4831 -2.4831 -2.2801 -2.2801 -2.2644 -2.2644 2.3755 2.3755 2.3903 2.3903 2.6949 2.6949 2.7109 2.7109 8.1100 8.1100 8.1141 8.1141 11.6560 11.6583 k = 0.2174 0.4016-0.0000 ( 5122 PWs) bands (ev): -47.4312 -47.4312 -47.4312 -47.4312 -20.3091 -20.3091 -20.3090 -20.3090 -19.4800 -19.4800 -19.4693 -19.4693 -19.3275 -19.3275 -19.3132 -19.3132 -19.2600 -19.2600 -19.2567 -19.2567 -11.4983 -11.4983 -11.4973 -11.4973 -3.6311 -3.6311 -3.6307 -3.6307 -2.4841 -2.4841 -2.4711 -2.4711 -2.2697 -2.2697 -2.2546 -2.2546 2.3982 2.3982 2.4137 2.4137 2.6954 2.6954 2.7120 2.7120 8.0695 8.0695 8.0734 8.0734 11.6287 11.6293 k = 0.2065 0.4016-0.0000 ( 5122 PWs) bands (ev): -47.4312 -47.4312 -47.4312 -47.4312 -20.3142 -20.3142 -20.3142 -20.3142 -19.4782 -19.4782 -19.4679 -19.4679 -19.3262 -19.3262 -19.3124 -19.3124 -19.2567 -19.2567 -19.2536 -19.2536 -11.5029 -11.5029 -11.5019 -11.5019 -3.6370 -3.6370 -3.6366 -3.6366 -2.4730 -2.4730 -2.4608 -2.4608 -2.2579 -2.2579 -2.2436 -2.2436 2.4206 2.4206 2.4367 2.4367 2.6962 2.6962 2.7135 2.7135 8.0296 8.0296 8.0333 8.0333 11.6023 11.6044 k = 0.1957 0.4016-0.0000 ( 5114 PWs) bands (ev): -47.4313 -47.4313 -47.4313 -47.4313 -20.3192 -20.3192 -20.3192 -20.3192 -19.4764 -19.4764 -19.4666 -19.4666 -19.3248 -19.3248 -19.3116 -19.3116 -19.2534 -19.2534 -19.2505 -19.2505 -11.5073 -11.5073 -11.5065 -11.5065 -3.6427 -3.6427 -3.6423 -3.6423 -2.4634 -2.4634 -2.4521 -2.4521 -2.2447 -2.2447 -2.2314 -2.2314 2.4423 2.4423 2.4592 2.4592 2.6973 2.6973 2.7152 2.7152 7.9904 7.9904 7.9939 7.9939 11.5767 11.5770 k = 0.1848 0.4016-0.0000 ( 5114 PWs) bands (ev): -47.4314 -47.4314 -47.4314 -47.4314 -20.3241 -20.3241 -20.3240 -20.3240 -19.4747 -19.4747 -19.4653 -19.4653 -19.3234 -19.3234 -19.3109 -19.3109 -19.2502 -19.2502 -19.2475 -19.2475 -11.5117 -11.5117 -11.5109 -11.5109 -3.6482 -3.6482 -3.6479 -3.6479 -2.4552 -2.4552 -2.4448 -2.4448 -2.2306 -2.2306 -2.2183 -2.2183 2.4633 2.4633 2.4809 2.4809 2.6987 2.6987 2.7172 2.7172 7.9522 7.9522 7.9555 7.9555 11.5521 11.5526 k = 0.1739 0.4016-0.0000 ( 5118 PWs) bands (ev): -47.4314 -47.4314 -47.4314 -47.4314 -20.3288 -20.3288 -20.3287 -20.3287 -19.4731 -19.4731 -19.4641 -19.4641 -19.3221 -19.3221 -19.3103 -19.3103 -19.2471 -19.2471 -19.2446 -19.2446 -11.5160 -11.5160 -11.5152 -11.5152 -3.6535 -3.6535 -3.6532 -3.6532 -2.4483 -2.4483 -2.4389 -2.4389 -2.2157 -2.2157 -2.2045 -2.2045 2.4834 2.4834 2.5016 2.5016 2.7005 2.7005 2.7196 2.7196 7.9150 7.9150 7.9181 7.9181 11.5285 11.5293 k = 0.1630 0.4016-0.0000 ( 5118 PWs) bands (ev): -47.4315 -47.4315 -47.4315 -47.4315 -20.3332 -20.3332 -20.3332 -20.3332 -19.4716 -19.4716 -19.4631 -19.4631 -19.3208 -19.3208 -19.3096 -19.3096 -19.2441 -19.2441 -19.2418 -19.2418 -11.5200 -11.5200 -11.5193 -11.5193 -3.6586 -3.6586 -3.6583 -3.6583 -2.4425 -2.4425 -2.4341 -2.4341 -2.2003 -2.2003 -2.1902 -2.1902 2.5024 2.5024 2.5212 2.5212 2.7028 2.7028 2.7224 2.7224 7.8791 7.8791 7.8820 7.8820 11.5059 11.5071 k = 0.1522 0.4016-0.0000 ( 5114 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3375 -20.3375 -20.3375 -20.3375 -19.4701 -19.4701 -19.4621 -19.4621 -19.3195 -19.3195 -19.3090 -19.3090 -19.2413 -19.2413 -19.2391 -19.2391 -11.5240 -11.5240 -11.5232 -11.5232 -3.6635 -3.6635 -3.6632 -3.6632 -2.4377 -2.4377 -2.4302 -2.4302 -2.1847 -2.1847 -2.1756 -2.1756 2.5202 2.5202 2.5394 2.5394 2.7057 2.7057 2.7258 2.7258 7.8447 7.8447 7.8473 7.8473 11.4842 11.4849 k = 0.1413 0.4016-0.0000 ( 5114 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3415 -20.3415 -20.3415 -20.3415 -19.4687 -19.4687 -19.4612 -19.4612 -19.3182 -19.3182 -19.3084 -19.3084 -19.2386 -19.2386 -19.2366 -19.2366 -11.5277 -11.5277 -11.5270 -11.5270 -3.6681 -3.6681 -3.6678 -3.6678 -2.4337 -2.4337 -2.4271 -2.4271 -2.1692 -2.1692 -2.1611 -2.1611 2.5366 2.5366 2.5560 2.5560 2.7094 2.7094 2.7296 2.7296 7.8118 7.8118 7.8143 7.8143 11.4638 11.4640 k = 0.1304 0.4016-0.0000 ( 5110 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3453 -20.3453 -20.3453 -20.3453 -19.4674 -19.4674 -19.4603 -19.4603 -19.3170 -19.3170 -19.3079 -19.3079 -19.2361 -19.2361 -19.2342 -19.2342 -11.5312 -11.5312 -11.5306 -11.5306 -3.6724 -3.6724 -3.6722 -3.6722 -2.4304 -2.4304 -2.4246 -2.4246 -2.1540 -2.1540 -2.1468 -2.1468 2.5515 2.5515 2.5708 2.5708 2.7139 2.7139 2.7339 2.7339 7.7806 7.7806 7.7829 7.7829 11.4445 11.4451 k = 0.1196 0.4016-0.0000 ( 5106 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3489 -20.3489 -20.3488 -20.3488 -19.4661 -19.4661 -19.4596 -19.4596 -19.3157 -19.3157 -19.3074 -19.3074 -19.2337 -19.2337 -19.2320 -19.2320 -11.5345 -11.5345 -11.5339 -11.5339 -3.6764 -3.6764 -3.6762 -3.6762 -2.4277 -2.4277 -2.4226 -2.4226 -2.1392 -2.1392 -2.1329 -2.1329 2.5648 2.5648 2.5836 2.5836 2.7192 2.7192 2.7387 2.7387 7.7514 7.7514 7.7535 7.7535 11.4264 11.4289 k = 0.1087 0.4016-0.0000 ( 5098 PWs) bands (ev): -47.4318 -47.4318 -47.4318 -47.4318 -20.3521 -20.3521 -20.3521 -20.3521 -19.4649 -19.4649 -19.4590 -19.4590 -19.3146 -19.3146 -19.3069 -19.3069 -19.2314 -19.2314 -19.2300 -19.2300 -11.5376 -11.5376 -11.5371 -11.5371 -3.6801 -3.6801 -3.6799 -3.6799 -2.4254 -2.4254 -2.4210 -2.4210 -2.1252 -2.1252 -2.1196 -2.1196 2.5766 2.5766 2.5945 2.5945 2.7254 2.7254 2.7440 2.7440 7.7242 7.7242 7.7260 7.7260 11.4097 11.4101 k = 0.0978 0.4016-0.0000 ( 5102 PWs) bands (ev): -47.4318 -47.4318 -47.4318 -47.4318 -20.3551 -20.3551 -20.3551 -20.3551 -19.4638 -19.4638 -19.4584 -19.4584 -19.3135 -19.3135 -19.3066 -19.3066 -19.2294 -19.2294 -19.2281 -19.2281 -11.5404 -11.5404 -11.5399 -11.5399 -3.6835 -3.6835 -3.6834 -3.6834 -2.4236 -2.4236 -2.4198 -2.4198 -2.1121 -2.1121 -2.1072 -2.1072 2.5867 2.5867 2.6034 2.6034 2.7321 2.7321 2.7494 2.7494 7.6991 7.6991 7.7008 7.7008 11.3942 11.3950 k = 0.0870 0.4016-0.0000 ( 5106 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3578 -20.3578 -20.3578 -20.3578 -19.4628 -19.4628 -19.4580 -19.4580 -19.3124 -19.3124 -19.3063 -19.3063 -19.2276 -19.2276 -19.2265 -19.2265 -11.5430 -11.5430 -11.5425 -11.5425 -3.6866 -3.6866 -3.6865 -3.6865 -2.4221 -2.4221 -2.4189 -2.4189 -2.0999 -2.0999 -2.0957 -2.0957 2.5954 2.5954 2.6105 2.6105 2.7394 2.7394 2.7550 2.7550 7.6763 7.6763 7.6778 7.6778 11.3803 11.3808 k = 0.0761 0.4016-0.0000 ( 5110 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3603 -20.3603 -20.3602 -20.3602 -19.4619 -19.4619 -19.4577 -19.4577 -19.3115 -19.3115 -19.3061 -19.3061 -19.2260 -19.2260 -19.2250 -19.2250 -11.5452 -11.5452 -11.5449 -11.5449 -3.6894 -3.6894 -3.6893 -3.6893 -2.4209 -2.4209 -2.4182 -2.4182 -2.0889 -2.0889 -2.0853 -2.0853 2.6027 2.6027 2.6160 2.6160 2.7467 2.7467 2.7605 2.7605 7.6560 7.6560 7.6572 7.6572 11.3678 11.3688 k = 0.0652 0.4016-0.0000 ( 5110 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3624 -20.3624 -20.3623 -20.3623 -19.4610 -19.4610 -19.4574 -19.4574 -19.3106 -19.3106 -19.3059 -19.3059 -19.2245 -19.2245 -19.2237 -19.2237 -11.5472 -11.5472 -11.5469 -11.5469 -3.6918 -3.6918 -3.6917 -3.6917 -2.4199 -2.4199 -2.4176 -2.4176 -2.0791 -2.0791 -2.0761 -2.0761 2.6088 2.6088 2.6201 2.6201 2.7539 2.7539 2.7657 2.7657 7.6381 7.6381 7.6392 7.6392 11.3568 11.3569 k = 0.0543 0.4016-0.0000 ( 5106 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3641 -20.3641 -20.3641 -20.3641 -19.4603 -19.4603 -19.4572 -19.4572 -19.3097 -19.3097 -19.3059 -19.3059 -19.2233 -19.2233 -19.2226 -19.2226 -11.5489 -11.5489 -11.5487 -11.5487 -3.6938 -3.6938 -3.6937 -3.6937 -2.4191 -2.4191 -2.4172 -2.4172 -2.0707 -2.0707 -2.0682 -2.0682 2.6137 2.6137 2.6232 2.6232 2.7606 2.7606 2.7704 2.7704 7.6228 7.6228 7.6237 7.6237 11.3475 11.3475 k = 0.0435 0.4016-0.0000 ( 5108 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3656 -20.3656 -20.3656 -20.3656 -19.4596 -19.4596 -19.4572 -19.4572 -19.3090 -19.3090 -19.3059 -19.3059 -19.2222 -19.2222 -19.2217 -19.2217 -11.5503 -11.5503 -11.5501 -11.5501 -3.6955 -3.6955 -3.6954 -3.6954 -2.4184 -2.4184 -2.4170 -2.4170 -2.0636 -2.0636 -2.0617 -2.0617 2.6178 2.6178 2.6253 2.6253 2.7666 2.7666 2.7743 2.7743 7.6102 7.6102 7.6110 7.6110 11.3399 11.3408 k = 0.0326 0.4016-0.0000 ( 5110 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3668 -20.3668 -20.3668 -20.3668 -19.4590 -19.4590 -19.4572 -19.4572 -19.3083 -19.3083 -19.3060 -19.3060 -19.2214 -19.2214 -19.2210 -19.2210 -11.5514 -11.5514 -11.5512 -11.5512 -3.6968 -3.6968 -3.6968 -3.6968 -2.4179 -2.4179 -2.4168 -2.4168 -2.0580 -2.0580 -2.0566 -2.0566 2.6210 2.6210 2.6265 2.6265 2.7716 2.7716 2.7774 2.7774 7.6004 7.6004 7.6009 7.6009 11.3339 11.3339 k = 0.0217 0.4016-0.0000 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3676 -20.3676 -20.3676 -20.3676 -19.4585 -19.4585 -19.4573 -19.4573 -19.3077 -19.3077 -19.3062 -19.3062 -19.2208 -19.2208 -19.2205 -19.2205 -11.5522 -11.5522 -11.5521 -11.5521 -3.6978 -3.6978 -3.6977 -3.6977 -2.4175 -2.4175 -2.4168 -2.4168 -2.0540 -2.0540 -2.0530 -2.0530 2.6234 2.6234 2.6271 2.6271 2.7755 2.7755 2.7794 2.7794 7.5933 7.5933 7.5937 7.5937 11.3296 11.3298 k = 0.0109 0.4016-0.0000 ( 5124 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3681 -20.3681 -20.3681 -20.3681 -19.4581 -19.4581 -19.4575 -19.4575 -19.3072 -19.3072 -19.3065 -19.3065 -19.2204 -19.2204 -19.2203 -19.2203 -11.5526 -11.5526 -11.5526 -11.5526 -3.6983 -3.6983 -3.6983 -3.6983 -2.4172 -2.4172 -2.4168 -2.4168 -2.0514 -2.0514 -2.0509 -2.0509 2.6252 2.6252 2.6271 2.6271 2.7783 2.7783 2.7802 2.7802 7.5891 7.5891 7.5893 7.5893 11.3270 11.3271 k = 0.0000 0.4016-0.0000 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3683 -20.3683 -20.3683 -20.3683 -19.4578 -19.4578 -19.4578 -19.4578 -19.3069 -19.3069 -19.3069 -19.3069 -19.2203 -19.2203 -19.2203 -19.2203 -11.5528 -11.5528 -11.5528 -11.5528 -3.6985 -3.6985 -3.6985 -3.6985 -2.4170 -2.4170 -2.4170 -2.4170 -2.0504 -2.0504 -2.0504 -2.0504 2.6264 2.6264 2.6264 2.6264 2.7798 2.7798 2.7798 2.7798 7.5878 7.5878 7.5878 7.5878 11.3263 11.3263 k = 0.0000 0.4016-0.0000 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3683 -20.3683 -20.3683 -20.3683 -19.4578 -19.4578 -19.4578 -19.4578 -19.3069 -19.3069 -19.3069 -19.3069 -19.2203 -19.2203 -19.2203 -19.2203 -11.5528 -11.5528 -11.5528 -11.5528 -3.6985 -3.6985 -3.6985 -3.6985 -2.4170 -2.4170 -2.4170 -2.4170 -2.0504 -2.0504 -2.0504 -2.0504 2.6264 2.6264 2.6264 2.6264 2.7798 2.7798 2.7798 2.7798 7.5878 7.5878 7.5878 7.5878 11.3263 11.3263 k = 0.0000 0.3907-0.0000 ( 5126 PWs) bands (ev): -47.4321 -47.4321 -47.4320 -47.4320 -20.3703 -20.3703 -20.3659 -20.3659 -19.4582 -19.4582 -19.4573 -19.4573 -19.3072 -19.3072 -19.3064 -19.3064 -19.2207 -19.2207 -19.2202 -19.2202 -11.5537 -11.5537 -11.5513 -11.5513 -3.7157 -3.7157 -3.6817 -3.6817 -2.4169 -2.4169 -2.4169 -2.4169 -2.0569 -2.0569 -2.0438 -2.0438 2.6074 2.6074 2.6438 2.6438 2.7785 2.7785 2.7813 2.7813 7.5377 7.5377 7.6408 7.6408 11.2745 11.2745 k = 0.0000 0.3799-0.0000 ( 5128 PWs) bands (ev): -47.4321 -47.4321 -47.4320 -47.4320 -20.3721 -20.3721 -20.3633 -20.3633 -19.4588 -19.4588 -19.4570 -19.4570 -19.3076 -19.3076 -19.3060 -19.3060 -19.2215 -19.2215 -19.2206 -19.2206 -11.5540 -11.5540 -11.5493 -11.5493 -3.7331 -3.7331 -3.6653 -3.6653 -2.4168 -2.4168 -2.4165 -2.4165 -2.0634 -2.0634 -2.0371 -2.0371 2.5867 2.5867 2.6595 2.6595 2.7771 2.7771 2.7827 2.7827 7.4906 7.4906 7.6964 7.6964 11.2163 11.2163 k = 0.0000 0.3690-0.0000 ( 5130 PWs) bands (ev): -47.4322 -47.4322 -47.4319 -47.4319 -20.3735 -20.3735 -20.3603 -20.3603 -19.4595 -19.4595 -19.4567 -19.4567 -19.3081 -19.3081 -19.3056 -19.3056 -19.2227 -19.2227 -19.2213 -19.2213 -11.5538 -11.5538 -11.5467 -11.5467 -3.7507 -3.7507 -3.6494 -3.6494 -2.4169 -2.4169 -2.4159 -2.4159 -2.0698 -2.0698 -2.0304 -2.0304 2.5646 2.5646 2.6734 2.6734 2.7757 2.7757 2.7841 2.7841 7.4468 7.4468 7.7545 7.7545 11.1523 11.1523 k = 0.0000 0.3581-0.0000 ( 5128 PWs) bands (ev): -47.4322 -47.4322 -47.4319 -47.4319 -20.3747 -20.3747 -20.3571 -20.3571 -19.4602 -19.4602 -19.4564 -19.4564 -19.3085 -19.3085 -19.3053 -19.3053 -19.2242 -19.2242 -19.2224 -19.2224 -11.5530 -11.5530 -11.5436 -11.5436 -3.7682 -3.7682 -3.6343 -3.6343 -2.4171 -2.4171 -2.4148 -2.4148 -2.0761 -2.0761 -2.0237 -2.0237 2.5410 2.5410 2.6856 2.6856 2.7743 2.7743 2.7855 2.7855 7.4063 7.4063 7.8148 7.8148 11.0832 11.0832 k = 0.0000 0.3473-0.0000 ( 5129 PWs) bands (ev): -47.4322 -47.4322 -47.4319 -47.4319 -20.3756 -20.3756 -20.3536 -20.3536 -19.4610 -19.4610 -19.4563 -19.4563 -19.3089 -19.3089 -19.3049 -19.3049 -19.2261 -19.2261 -19.2239 -19.2239 -11.5517 -11.5517 -11.5400 -11.5400 -3.7857 -3.7857 -3.6199 -3.6199 -2.4175 -2.4175 -2.4131 -2.4131 -2.0824 -2.0824 -2.0170 -2.0170 2.5160 2.5160 2.6960 2.6960 2.7729 2.7729 2.7868 2.7868 7.3693 7.3693 7.8771 7.8771 11.0098 11.0098 k = 0.0000 0.3364-0.0000 ( 5129 PWs) bands (ev): -47.4323 -47.4323 -47.4318 -47.4318 -20.3762 -20.3762 -20.3498 -20.3498 -19.4618 -19.4618 -19.4563 -19.4563 -19.3094 -19.3094 -19.3046 -19.3046 -19.2283 -19.2283 -19.2256 -19.2256 -11.5499 -11.5499 -11.5358 -11.5358 -3.8030 -3.8030 -3.6065 -3.6065 -2.4183 -2.4183 -2.4107 -2.4107 -2.0884 -2.0884 -2.0103 -2.0103 2.4897 2.4897 2.7047 2.7047 2.7716 2.7716 2.7881 2.7881 7.3359 7.3359 7.9412 7.9412 10.9328 10.9328 k = 0.0000 0.3256-0.0000 ( 5125 PWs) bands (ev): -47.4323 -47.4323 -47.4318 -47.4318 -20.3765 -20.3765 -20.3457 -20.3457 -19.4627 -19.4627 -19.4563 -19.4563 -19.3098 -19.3098 -19.3043 -19.3043 -19.2308 -19.2308 -19.2278 -19.2278 -11.5476 -11.5476 -11.5311 -11.5311 -3.8201 -3.8201 -3.5940 -3.5940 -2.4195 -2.4195 -2.4075 -2.4075 -2.0944 -2.0944 -2.0036 -2.0036 2.4623 2.4623 2.7117 2.7117 2.7703 2.7703 2.7894 2.7894 7.3062 7.3062 8.0067 8.0067 10.8528 10.8528 k = 0.0000 0.3147-0.0000 ( 5121 PWs) bands (ev): -47.4323 -47.4323 -47.4318 -47.4318 -20.3765 -20.3765 -20.3414 -20.3414 -19.4637 -19.4637 -19.4563 -19.4563 -19.3103 -19.3103 -19.3039 -19.3039 -19.2337 -19.2337 -19.2301 -19.2301 -11.5448 -11.5448 -11.5260 -11.5260 -3.8368 -3.8368 -3.5827 -3.5827 -2.4211 -2.4211 -2.4035 -2.4035 -2.1003 -2.1003 -1.9969 -1.9969 2.4339 2.4339 2.7170 2.7170 2.7690 2.7690 2.7906 2.7906 7.2803 7.2803 8.0734 8.0734 10.7705 10.7705 k = 0.0000 0.3039-0.0000 ( 5129 PWs) bands (ev): -47.4324 -47.4324 -47.4317 -47.4317 -20.3763 -20.3763 -20.3369 -20.3369 -19.4648 -19.4648 -19.4565 -19.4565 -19.3108 -19.3108 -19.3036 -19.3036 -19.2369 -19.2369 -19.2328 -19.2328 -11.5416 -11.5416 -11.5204 -11.5204 -3.8531 -3.8531 -3.5726 -3.5726 -2.4232 -2.4232 -2.3985 -2.3985 -2.1060 -2.1060 -1.9903 -1.9903 2.4045 2.4045 2.7208 2.7208 2.7677 2.7677 2.7918 2.7918 7.2581 7.2581 8.1410 8.1410 10.6862 10.6862 k = 0.0000 0.2930-0.0000 ( 5133 PWs) bands (ev): -47.4324 -47.4324 -47.4317 -47.4317 -20.3758 -20.3758 -20.3322 -20.3322 -19.4660 -19.4660 -19.4567 -19.4567 -19.3113 -19.3113 -19.3034 -19.3034 -19.2404 -19.2404 -19.2357 -19.2357 -11.5379 -11.5379 -11.5144 -11.5144 -3.8690 -3.8690 -3.5637 -3.5637 -2.4258 -2.4258 -2.3925 -2.3925 -2.1116 -2.1116 -1.9837 -1.9837 2.3743 2.3743 2.7230 2.7230 2.7663 2.7663 2.7929 2.7929 7.2398 7.2398 8.2092 8.2092 10.6004 10.6004 k = 0.0000 0.2822-0.0000 ( 5137 PWs) bands (ev): -47.4325 -47.4325 -47.4317 -47.4317 -20.3751 -20.3751 -20.3272 -20.3272 -19.4672 -19.4672 -19.4571 -19.4571 -19.3117 -19.3117 -19.3031 -19.3031 -19.2440 -19.2440 -19.2389 -19.2389 -11.5339 -11.5339 -11.5081 -11.5081 -3.8844 -3.8844 -3.5561 -3.5561 -2.4290 -2.4290 -2.3854 -2.3854 -2.1170 -2.1170 -1.9772 -1.9772 2.3435 2.3435 2.7240 2.7240 2.7650 2.7650 2.7940 2.7940 7.2253 7.2253 8.2777 8.2777 10.5135 10.5135 k = 0.0000 0.2713-0.0000 ( 5133 PWs) bands (ev): -47.4325 -47.4325 -47.4316 -47.4316 -20.3742 -20.3742 -20.3220 -20.3220 -19.4685 -19.4685 -19.4575 -19.4575 -19.3123 -19.3123 -19.3029 -19.3029 -19.2479 -19.2479 -19.2422 -19.2422 -11.5296 -11.5296 -11.5014 -11.5014 -3.8992 -3.8992 -3.5498 -3.5498 -2.4327 -2.4327 -2.3773 -2.3773 -2.1222 -2.1222 -1.9708 -1.9708 2.3121 2.3121 2.7236 2.7236 2.7636 2.7636 2.7950 2.7950 7.2146 7.2146 8.3463 8.3463 10.4258 10.4258 k = 0.0000 0.2605-0.0000 ( 5133 PWs) bands (ev): -47.4325 -47.4325 -47.4316 -47.4316 -20.3730 -20.3730 -20.3167 -20.3167 -19.4699 -19.4699 -19.4580 -19.4580 -19.3128 -19.3128 -19.3027 -19.3027 -19.2519 -19.2519 -19.2457 -19.2457 -11.5249 -11.5249 -11.4944 -11.4944 -3.9134 -3.9134 -3.5448 -3.5448 -2.4369 -2.4369 -2.3681 -2.3681 -2.1273 -2.1273 -1.9645 -1.9645 2.2803 2.2803 2.7221 2.7221 2.7621 2.7621 2.7959 2.7959 7.2077 7.2077 8.4145 8.4145 10.3376 10.3376 k = 0.0000 0.2496-0.0000 ( 5127 PWs) bands (ev): -47.4326 -47.4326 -47.4316 -47.4316 -20.3717 -20.3717 -20.3112 -20.3112 -19.4714 -19.4714 -19.4586 -19.4586 -19.3134 -19.3134 -19.3024 -19.3024 -19.2561 -19.2561 -19.2494 -19.2494 -11.5200 -11.5200 -11.4872 -11.4872 -3.9270 -3.9270 -3.5412 -3.5412 -2.4417 -2.4417 -2.3578 -2.3578 -2.1321 -2.1321 -1.9583 -1.9583 2.2482 2.2482 2.7196 2.7196 2.7606 2.7606 2.7968 2.7968 7.2046 7.2046 8.4822 8.4822 10.2491 10.2491 k = 0.0000 0.2388-0.0000 ( 5129 PWs) bands (ev): -47.4326 -47.4326 -47.4316 -47.4316 -20.3701 -20.3701 -20.3056 -20.3056 -19.4730 -19.4730 -19.4592 -19.4592 -19.3140 -19.3140 -19.3023 -19.3023 -19.2603 -19.2603 -19.2531 -19.2531 -11.5148 -11.5148 -11.4797 -11.4797 -3.9400 -3.9400 -3.5387 -3.5387 -2.4470 -2.4470 -2.3466 -2.3466 -2.1369 -2.1369 -1.9523 -1.9523 2.2160 2.2160 2.7161 2.7161 2.7590 2.7590 2.7976 2.7976 7.2051 7.2051 8.5490 8.5490 10.1605 10.1605 k = 0.0000 0.2279-0.0000 ( 5133 PWs) bands (ev): -47.4326 -47.4326 -47.4315 -47.4315 -20.3684 -20.3684 -20.2999 -20.2999 -19.4746 -19.4746 -19.4600 -19.4600 -19.3146 -19.3146 -19.3022 -19.3022 -19.2646 -19.2646 -19.2570 -19.2570 -11.5094 -11.5094 -11.4721 -11.4721 -3.9522 -3.9522 -3.5375 -3.5375 -2.4528 -2.4528 -2.3345 -2.3345 -2.1415 -2.1415 -1.9464 -1.9464 2.1839 2.1839 2.7117 2.7117 2.7574 2.7574 2.7984 2.7984 7.2093 7.2093 8.6147 8.6147 10.0722 10.0722 k = 0.0000 0.2171-0.0000 ( 5121 PWs) bands (ev): -47.4327 -47.4327 -47.4315 -47.4315 -20.3666 -20.3666 -20.2942 -20.2942 -19.4763 -19.4763 -19.4608 -19.4608 -19.3153 -19.3153 -19.3021 -19.3021 -19.2688 -19.2688 -19.2608 -19.2608 -11.5039 -11.5039 -11.4644 -11.4644 -3.9638 -3.9638 -3.5373 -3.5373 -2.4590 -2.4590 -2.3216 -2.3216 -2.1458 -2.1458 -1.9406 -1.9406 2.1519 2.1519 2.7066 2.7066 2.7559 2.7559 2.7991 2.7991 7.2169 7.2169 8.6789 8.6789 9.9842 9.9842 k = 0.0000 0.2062-0.0000 ( 5123 PWs) bands (ev): -47.4327 -47.4327 -47.4315 -47.4315 -20.3646 -20.3646 -20.2883 -20.2883 -19.4780 -19.4780 -19.4618 -19.4618 -19.3161 -19.3161 -19.3021 -19.3021 -19.2729 -19.2729 -19.2647 -19.2647 -11.4983 -11.4983 -11.4566 -11.4566 -3.9746 -3.9746 -3.5382 -3.5382 -2.4656 -2.4656 -2.3079 -2.3079 -2.1500 -2.1500 -1.9350 -1.9350 2.1202 2.1202 2.7007 2.7007 2.7543 2.7543 2.7998 2.7998 7.2279 7.2279 8.7414 8.7414 9.8967 9.8967 k = 0.0000 0.1954-0.0000 ( 5117 PWs) bands (ev): -47.4327 -47.4327 -47.4315 -47.4315 -20.3626 -20.3626 -20.2825 -20.2825 -19.4799 -19.4799 -19.4628 -19.4628 -19.3169 -19.3169 -19.3022 -19.3022 -19.2768 -19.2768 -19.2685 -19.2685 -11.4927 -11.4927 -11.4488 -11.4488 -3.9848 -3.9848 -3.5400 -3.5400 -2.4725 -2.4725 -2.2938 -2.2938 -2.1539 -2.1539 -1.9297 -1.9297 2.0890 2.0890 2.6944 2.6944 2.7528 2.7528 2.8005 2.8005 7.2421 7.2421 8.8020 8.8020 9.8100 9.8100 k = 0.0000 0.1845-0.0000 ( 5113 PWs) bands (ev): -47.4327 -47.4327 -47.4314 -47.4314 -20.3604 -20.3604 -20.2767 -20.2767 -19.4817 -19.4817 -19.4639 -19.4639 -19.3179 -19.3179 -19.3025 -19.3025 -19.2804 -19.2804 -19.2723 -19.2723 -11.4870 -11.4870 -11.4411 -11.4411 -3.9942 -3.9942 -3.5425 -3.5425 -2.4797 -2.4797 -2.2792 -2.2792 -2.1577 -2.1577 -1.9244 -1.9244 2.0585 2.0585 2.6876 2.6876 2.7514 2.7514 2.8012 2.8012 7.2594 7.2594 8.8603 8.8603 9.7242 9.7242 k = 0.0000 0.1736-0.0000 ( 5113 PWs) bands (ev): -47.4328 -47.4328 -47.4314 -47.4314 -20.3582 -20.3582 -20.2709 -20.2709 -19.4837 -19.4837 -19.4650 -19.4650 -19.3190 -19.3190 -19.3028 -19.3028 -19.2838 -19.2838 -19.2760 -19.2760 -11.4814 -11.4814 -11.4335 -11.4335 -4.0030 -4.0030 -3.5458 -3.5458 -2.4871 -2.4871 -2.2643 -2.2643 -2.1612 -2.1612 -1.9195 -1.9195 2.0287 2.0287 2.6804 2.6804 2.7501 2.7501 2.8018 2.8018 7.2796 7.2796 8.9163 8.9163 9.6395 9.6395 k = 0.0000 0.1628-0.0000 ( 5109 PWs) bands (ev): -47.4328 -47.4328 -47.4314 -47.4314 -20.3560 -20.3560 -20.2652 -20.2652 -19.4857 -19.4857 -19.4662 -19.4662 -19.3203 -19.3203 -19.3033 -19.3033 -19.2866 -19.2866 -19.2795 -19.2795 -11.4759 -11.4759 -11.4260 -11.4260 -4.0110 -4.0110 -3.5496 -3.5496 -2.4947 -2.4947 -2.2493 -2.2493 -2.1645 -2.1645 -1.9147 -1.9147 1.9997 1.9997 2.6731 2.6731 2.7488 2.7488 2.8023 2.8023 7.3026 7.3026 8.9696 8.9696 9.5560 9.5560 k = 0.0000 0.1519-0.0000 ( 5107 PWs) bands (ev): -47.4328 -47.4328 -47.4314 -47.4314 -20.3538 -20.3538 -20.2597 -20.2597 -19.4877 -19.4877 -19.4675 -19.4675 -19.3218 -19.3218 -19.3040 -19.3040 -19.2890 -19.2890 -19.2829 -19.2829 -11.4705 -11.4705 -11.4187 -11.4187 -4.0184 -4.0184 -3.5539 -3.5539 -2.5022 -2.5022 -2.2345 -2.2345 -2.1675 -2.1675 -1.9102 -1.9102 1.9719 1.9719 2.6657 2.6657 2.7476 2.7476 2.8029 2.8029 7.3280 7.3280 9.0202 9.0202 9.4741 9.4741 k = 0.0000 0.1411-0.0000 ( 5125 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3515 -20.3515 -20.2543 -20.2543 -19.4899 -19.4899 -19.4688 -19.4688 -19.3237 -19.3237 -19.3049 -19.3049 -19.2910 -19.2910 -19.2861 -19.2861 -11.4652 -11.4652 -11.4116 -11.4116 -4.0251 -4.0251 -3.5585 -3.5585 -2.5098 -2.5098 -2.2199 -2.2199 -2.1703 -2.1703 -1.9060 -1.9060 1.9452 1.9452 2.6583 2.6583 2.7464 2.7464 2.8034 2.8034 7.3557 7.3557 9.0678 9.0678 9.3939 9.3939 k = 0.0000 0.1302-0.0000 ( 5131 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3494 -20.3494 -20.2491 -20.2491 -19.4919 -19.4919 -19.4702 -19.4702 -19.3256 -19.3256 -19.3058 -19.3058 -19.2926 -19.2926 -19.2889 -19.2889 -11.4602 -11.4602 -11.4049 -11.4049 -4.0312 -4.0312 -3.5632 -3.5632 -2.5173 -2.5173 -2.2059 -2.2059 -2.1726 -2.1726 -1.9021 -1.9021 1.9199 1.9199 2.6510 2.6510 2.7453 2.7453 2.8038 2.8038 7.3854 7.3854 9.1124 9.1124 9.3158 9.3158 k = 0.0000 0.1194-0.0000 ( 5135 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3473 -20.3473 -20.2441 -20.2441 -19.4940 -19.4940 -19.4715 -19.4715 -19.3277 -19.3277 -19.3067 -19.3067 -19.2942 -19.2942 -19.2912 -19.2912 -11.4554 -11.4554 -11.3985 -11.3985 -4.0367 -4.0367 -3.5680 -3.5680 -2.5245 -2.5245 -2.1932 -2.1932 -2.1739 -2.1739 -1.8984 -1.8984 1.8960 1.8960 2.6440 2.6440 2.7443 2.7443 2.8042 2.8042 7.4167 7.4167 9.1536 9.1536 9.2402 9.2402 k = 0.0000 0.1085-0.0000 ( 5135 PWs) bands (ev): -47.4329 -47.4329 -47.4313 -47.4313 -20.3452 -20.3452 -20.2394 -20.2394 -19.4960 -19.4960 -19.4728 -19.4728 -19.3299 -19.3299 -19.3075 -19.3075 -19.2961 -19.2961 -19.2926 -19.2926 -11.4508 -11.4508 -11.3925 -11.3925 -4.0415 -4.0415 -3.5728 -3.5728 -2.5315 -2.5315 -2.1848 -2.1848 -2.1713 -2.1713 -1.8950 -1.8950 1.8737 1.8737 2.6373 2.6373 2.7434 2.7434 2.8046 2.8046 7.4494 7.4494 9.1654 9.1654 9.1933 9.1933 k = 0.0000 0.0977-0.0000 ( 5131 PWs) bands (ev): -47.4329 -47.4329 -47.4313 -47.4313 -20.3433 -20.3433 -20.2350 -20.2350 -19.4978 -19.4978 -19.4740 -19.4740 -19.3320 -19.3320 -19.3082 -19.3082 -19.2982 -19.2982 -19.2934 -19.2934 -11.4466 -11.4466 -11.3869 -11.3869 -4.0458 -4.0458 -3.5775 -3.5775 -2.5381 -2.5381 -2.1834 -2.1834 -2.1623 -2.1623 -1.8919 -1.8919 1.8532 1.8532 2.6310 2.6310 2.7426 2.7426 2.8049 2.8049 7.4828 7.4828 9.0963 9.0963 9.2271 9.2271 k = 0.0000 0.0868-0.0000 ( 5133 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3416 -20.3416 -20.2309 -20.2309 -19.4996 -19.4996 -19.4753 -19.4753 -19.3341 -19.3341 -19.3089 -19.3089 -19.3003 -19.3003 -19.2939 -19.2939 -11.4428 -11.4428 -11.3818 -11.3818 -4.0495 -4.0495 -3.5819 -3.5819 -2.5442 -2.5442 -2.1843 -2.1843 -2.1517 -2.1517 -1.8891 -1.8891 1.8344 1.8344 2.6252 2.6252 2.7419 2.7419 2.8053 2.8053 7.5165 7.5165 9.0300 9.0300 9.2584 9.2584 k = 0.0000 0.0760-0.0000 ( 5143 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3399 -20.3399 -20.2273 -20.2273 -19.5013 -19.5013 -19.4765 -19.4765 -19.3360 -19.3360 -19.3094 -19.3094 -19.3023 -19.3023 -19.2942 -19.2942 -11.4393 -11.4393 -11.3772 -11.3772 -4.0528 -4.0528 -3.5860 -3.5860 -2.5499 -2.5499 -2.1856 -2.1856 -2.1415 -2.1415 -1.8866 -1.8866 1.8176 1.8176 2.6198 2.6198 2.7412 2.7412 2.8055 2.8055 7.5499 7.5499 8.9679 8.9679 9.2861 9.2861 k = 0.0000 0.0651-0.0000 ( 5147 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3385 -20.3385 -20.2240 -20.2240 -19.5028 -19.5028 -19.4775 -19.4775 -19.3378 -19.3378 -19.3099 -19.3099 -19.3039 -19.3039 -19.2944 -19.2944 -11.4363 -11.4363 -11.3731 -11.3731 -4.0555 -4.0555 -3.5897 -3.5897 -2.5549 -2.5549 -2.1869 -2.1869 -2.1323 -2.1323 -1.8844 -1.8844 1.8029 1.8029 2.6151 2.6151 2.7406 2.7406 2.8058 2.8058 7.5822 7.5822 8.9107 8.9107 9.3104 9.3104 k = 0.0000 0.0543-0.0000 ( 5149 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3373 -20.3373 -20.2212 -20.2212 -19.5042 -19.5042 -19.4785 -19.4785 -19.3393 -19.3393 -19.3103 -19.3103 -19.3054 -19.3054 -19.2946 -19.2946 -11.4336 -11.4336 -11.3697 -11.3697 -4.0578 -4.0578 -3.5929 -3.5929 -2.5593 -2.5593 -2.1880 -2.1880 -2.1243 -2.1243 -1.8825 -1.8825 1.7902 1.7902 2.6110 2.6110 2.7401 2.7401 2.8060 2.8060 7.6124 7.6124 8.8594 8.8594 9.3310 9.3310 k = 0.0000 0.0434-0.0000 ( 5143 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3362 -20.3362 -20.2189 -20.2189 -19.5052 -19.5052 -19.4792 -19.4792 -19.3406 -19.3406 -19.3105 -19.3105 -19.3066 -19.3066 -19.2947 -19.2947 -11.4314 -11.4314 -11.3668 -11.3668 -4.0596 -4.0596 -3.5957 -3.5957 -2.5629 -2.5629 -2.1889 -2.1889 -2.1177 -2.1177 -1.8810 -1.8810 1.7798 1.7798 2.6076 2.6076 2.7397 2.7397 2.8062 2.8062 7.6395 7.6395 8.8151 8.8151 9.3479 9.3479 k = 0.0000 0.0326-0.0000 ( 5135 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3354 -20.3354 -20.2170 -20.2170 -19.5061 -19.5061 -19.4798 -19.4798 -19.3416 -19.3416 -19.3107 -19.3107 -19.3075 -19.3075 -19.2947 -19.2947 -11.4297 -11.4297 -11.3645 -11.3645 -4.0610 -4.0610 -3.5978 -3.5978 -2.5658 -2.5658 -2.1896 -2.1896 -2.1124 -2.1124 -1.8798 -1.8798 1.7716 1.7716 2.6050 2.6050 2.7394 2.7394 2.8063 2.8063 7.6624 7.6624 8.7788 8.7788 9.3611 9.3611 k = 0.0000 0.0217-0.0000 ( 5133 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3348 -20.3348 -20.2157 -20.2157 -19.5067 -19.5067 -19.4803 -19.4803 -19.3423 -19.3423 -19.3109 -19.3109 -19.3081 -19.3081 -19.2948 -19.2948 -11.4285 -11.4285 -11.3629 -11.3629 -4.0620 -4.0620 -3.5994 -3.5994 -2.5679 -2.5679 -2.1902 -2.1902 -2.1085 -2.1085 -1.8790 -1.8790 1.7657 1.7657 2.6030 2.6030 2.7392 2.7392 2.8064 2.8064 7.6799 7.6799 8.7518 8.7518 9.3706 9.3706 k = 0.0000 0.0109-0.0000 ( 5139 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3344 -20.3344 -20.2149 -20.2149 -19.5072 -19.5072 -19.4806 -19.4806 -19.3428 -19.3428 -19.3110 -19.3110 -19.3085 -19.3085 -19.2948 -19.2948 -11.4277 -11.4277 -11.3619 -11.3619 -4.0626 -4.0626 -3.6004 -3.6004 -2.5692 -2.5692 -2.1905 -2.1905 -2.1062 -2.1062 -1.8784 -1.8784 1.7621 1.7621 2.6019 2.6019 2.7391 2.7391 2.8065 2.8065 7.6909 7.6909 8.7351 8.7351 9.3763 9.3763 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3343 -20.3343 -20.2146 -20.2146 -19.5074 -19.5074 -19.4807 -19.4807 -19.3431 -19.3431 -19.3111 -19.3111 -19.3086 -19.3086 -19.2948 -19.2948 -11.4275 -11.4275 -11.3616 -11.3616 -4.0628 -4.0628 -3.6007 -3.6007 -2.5696 -2.5696 -2.1906 -2.1906 -2.1055 -2.1055 -1.8783 -1.8783 1.7609 1.7609 2.6014 2.6014 2.7390 2.7390 2.8065 2.8065 7.6946 7.6946 8.7294 8.7294 9.3781 9.3781 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3343 -20.3343 -20.2146 -20.2146 -19.5074 -19.5074 -19.4807 -19.4807 -19.3431 -19.3431 -19.3111 -19.3111 -19.3086 -19.3086 -19.2948 -19.2948 -11.4275 -11.4275 -11.3616 -11.3616 -4.0628 -4.0628 -3.6007 -3.6007 -2.5696 -2.5696 -2.1906 -2.1906 -2.1055 -2.1055 -1.8783 -1.8783 1.7609 1.7609 2.6014 2.6014 2.7390 2.7390 2.8065 2.8065 7.6946 7.6946 8.7294 8.7294 9.3781 9.3781 k = 0.0000 0.0000 0.0107 ( 5137 PWs) bands (ev): -47.4331 -47.4331 -47.4313 -47.4313 -20.3343 -20.3343 -20.2149 -20.2149 -19.5072 -19.5072 -19.4806 -19.4806 -19.3428 -19.3428 -19.3110 -19.3110 -19.3086 -19.3086 -19.2948 -19.2948 -11.4275 -11.4275 -11.3617 -11.3617 -4.0627 -4.0627 -3.6014 -3.6014 -2.5689 -2.5689 -2.1904 -2.1904 -2.1056 -2.1056 -1.8785 -1.8785 1.7617 1.7617 2.6011 2.6011 2.7391 2.7391 2.8065 2.8065 7.6939 7.6939 8.7269 8.7269 9.3806 9.3806 k = 0.0000 0.0000 0.0215 ( 5137 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3345 -20.3345 -20.2157 -20.2157 -19.5069 -19.5069 -19.4805 -19.4805 -19.3424 -19.3424 -19.3109 -19.3109 -19.3084 -19.3084 -19.2946 -19.2946 -11.4276 -11.4276 -11.3620 -11.3620 -4.0623 -4.0623 -3.6035 -3.6035 -2.5668 -2.5668 -2.1898 -2.1898 -2.1058 -2.1058 -1.8793 -1.8793 1.7641 1.7641 2.5998 2.5998 2.7393 2.7393 2.8064 2.8064 7.6917 7.6917 8.7193 8.7193 9.3880 9.3880 k = 0.0000 0.0000 0.0322 ( 5145 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3348 -20.3348 -20.2170 -20.2170 -19.5064 -19.5064 -19.4803 -19.4803 -19.3419 -19.3419 -19.3108 -19.3108 -19.3082 -19.3082 -19.2944 -19.2944 -11.4277 -11.4277 -11.3626 -11.3626 -4.0618 -4.0618 -3.6070 -3.6070 -2.5634 -2.5634 -2.1887 -2.1887 -2.1064 -2.1064 -1.8805 -1.8805 1.7679 1.7679 2.5977 2.5977 2.7397 2.7397 2.8062 2.8062 7.6881 7.6881 8.7068 8.7068 9.4001 9.4001 k = 0.0000 0.0000 0.0429 ( 5157 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3351 -20.3351 -20.2188 -20.2188 -19.5057 -19.5057 -19.4800 -19.4800 -19.3411 -19.3411 -19.3107 -19.3107 -19.3079 -19.3079 -19.2941 -19.2941 -11.4279 -11.4279 -11.3635 -11.3635 -4.0610 -4.0610 -3.6118 -3.6118 -2.5586 -2.5586 -2.1873 -2.1873 -2.1071 -2.1071 -1.8823 -1.8823 1.7733 1.7733 2.5948 2.5948 2.7402 2.7402 2.8060 2.8060 7.6832 7.6832 8.6895 8.6895 9.4170 9.4170 k = 0.0000 0.0000 0.0536 ( 5155 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3355 -20.3355 -20.2210 -20.2210 -19.5048 -19.5048 -19.4796 -19.4796 -19.3400 -19.3400 -19.3104 -19.3104 -19.3075 -19.3075 -19.2937 -19.2937 -11.4282 -11.4282 -11.3645 -11.3645 -4.0599 -4.0599 -3.6179 -3.6179 -2.5526 -2.5526 -2.1854 -2.1854 -2.1080 -2.1080 -1.8845 -1.8845 1.7803 1.7803 2.5910 2.5910 2.7409 2.7409 2.8058 2.8058 7.6773 7.6773 8.6679 8.6679 9.4383 9.4383 k = 0.0000 0.0000 0.0644 ( 5153 PWs) bands (ev): -47.4330 -47.4330 -47.4313 -47.4313 -20.3360 -20.3360 -20.2238 -20.2238 -19.5037 -19.5037 -19.4791 -19.4791 -19.3387 -19.3387 -19.3102 -19.3102 -19.3071 -19.3071 -19.2932 -19.2932 -11.4284 -11.4284 -11.3658 -11.3658 -4.0586 -4.0586 -3.6251 -3.6251 -2.5453 -2.5453 -2.1832 -2.1832 -2.1092 -2.1092 -1.8872 -1.8872 1.7887 1.7887 2.5864 2.5864 2.7417 2.7417 2.8055 2.8055 7.6706 7.6706 8.6423 8.6423 9.4639 9.4639 k = 0.0000 0.0000 0.0751 ( 5145 PWs) bands (ev): -47.4330 -47.4330 -47.4314 -47.4314 -20.3366 -20.3366 -20.2269 -20.2269 -19.5024 -19.5024 -19.4785 -19.4785 -19.3372 -19.3372 -19.3099 -19.3099 -19.3064 -19.3064 -19.2926 -19.2926 -11.4287 -11.4287 -11.3673 -11.3673 -4.0570 -4.0570 -3.6335 -3.6335 -2.5370 -2.5370 -2.1805 -2.1805 -2.1106 -2.1106 -1.8903 -1.8903 1.7985 1.7985 2.5810 2.5810 2.7426 2.7426 2.8052 2.8052 7.6632 7.6632 8.6131 8.6131 9.4935 9.4935 k = 0.0000 0.0000 0.0858 ( 5149 PWs) bands (ev): -47.4330 -47.4330 -47.4314 -47.4314 -20.3372 -20.3372 -20.2304 -20.2304 -19.5011 -19.5011 -19.4780 -19.4780 -19.3356 -19.3356 -19.3096 -19.3096 -19.3058 -19.3058 -19.2919 -19.2919 -11.4291 -11.4291 -11.3689 -11.3689 -4.0552 -4.0552 -3.6429 -3.6429 -2.5276 -2.5276 -2.1775 -2.1775 -2.1123 -2.1123 -1.8939 -1.8939 1.8097 1.8097 2.5746 2.5746 2.7437 2.7437 2.8048 2.8048 7.6555 7.6555 8.5806 8.5806 9.5269 9.5269 k = 0.0000 0.0000 0.0965 ( 5139 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3378 -20.3378 -20.2343 -20.2343 -19.4996 -19.4996 -19.4774 -19.4774 -19.3338 -19.3338 -19.3093 -19.3093 -19.3050 -19.3050 -19.2909 -19.2909 -11.4294 -11.4294 -11.3708 -11.3708 -4.0530 -4.0530 -3.6532 -3.6532 -2.5172 -2.5172 -2.1741 -2.1741 -2.1142 -2.1142 -1.8979 -1.8979 1.8223 1.8223 2.5674 2.5674 2.7449 2.7449 2.8043 2.8043 7.6477 7.6477 8.5453 8.5453 9.5639 9.5639 k = 0.0000 0.0000 0.1073 ( 5135 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3384 -20.3384 -20.2385 -20.2385 -19.4981 -19.4981 -19.4767 -19.4767 -19.3320 -19.3320 -19.3090 -19.3090 -19.3041 -19.3041 -19.2899 -19.2899 -11.4297 -11.4297 -11.3728 -11.3728 -4.0505 -4.0505 -3.6644 -3.6644 -2.5061 -2.5061 -2.1703 -2.1703 -2.1165 -2.1165 -1.9024 -1.9024 1.8362 1.8362 2.5593 2.5593 2.7462 2.7462 2.8038 2.8038 7.6401 7.6401 8.5076 8.5076 9.6040 9.6040 k = 0.0000 0.0000 0.1180 ( 5135 PWs) bands (ev): -47.4329 -47.4329 -47.4314 -47.4314 -20.3390 -20.3390 -20.2429 -20.2429 -19.4965 -19.4965 -19.4761 -19.4761 -19.3301 -19.3301 -19.3088 -19.3088 -19.3031 -19.3031 -19.2888 -19.2888 -11.4300 -11.4300 -11.3750 -11.3750 -4.0477 -4.0477 -3.6763 -3.6763 -2.4942 -2.4942 -2.1662 -2.1662 -2.1191 -2.1191 -1.9073 -1.9073 1.8513 1.8513 2.5503 2.5503 2.7476 2.7476 2.8032 2.8032 7.6329 7.6329 8.4680 8.4680 9.6471 9.6471 k = 0.0000 0.0000 0.1287 ( 5127 PWs) bands (ev): -47.4328 -47.4328 -47.4315 -47.4315 -20.3396 -20.3396 -20.2476 -20.2476 -19.4948 -19.4948 -19.4755 -19.4755 -19.3283 -19.3283 -19.3086 -19.3086 -19.3019 -19.3019 -19.2875 -19.2875 -11.4303 -11.4303 -11.3773 -11.3773 -4.0445 -4.0445 -3.6889 -3.6889 -2.4816 -2.4816 -2.1618 -2.1618 -2.1219 -2.1219 -1.9126 -1.9126 1.8676 1.8676 2.5404 2.5404 2.7491 2.7491 2.8026 2.8026 7.6264 7.6264 8.4269 8.4269 9.6930 9.6930 k = 0.0000 0.0000 0.1395 ( 5117 PWs) bands (ev): -47.4328 -47.4328 -47.4315 -47.4315 -20.3401 -20.3401 -20.2524 -20.2524 -19.4932 -19.4932 -19.4749 -19.4749 -19.3264 -19.3264 -19.3084 -19.3084 -19.3005 -19.3005 -19.2861 -19.2861 -11.4305 -11.4305 -11.3798 -11.3798 -4.0409 -4.0409 -3.7019 -3.7019 -2.4685 -2.4685 -2.1571 -2.1571 -2.1250 -2.1250 -1.9182 -1.9182 1.8849 1.8849 2.5296 2.5296 2.7508 2.7508 2.8019 2.8019 7.6207 7.6207 8.3845 8.3845 9.7413 9.7413 k = 0.0000 0.0000 0.1502 ( 5119 PWs) bands (ev): -47.4328 -47.4328 -47.4315 -47.4315 -20.3405 -20.3405 -20.2574 -20.2574 -19.4915 -19.4915 -19.4744 -19.4744 -19.3247 -19.3247 -19.3084 -19.3084 -19.2990 -19.2990 -19.2847 -19.2847 -11.4307 -11.4307 -11.3823 -11.3823 -4.0369 -4.0369 -3.7155 -3.7155 -2.4549 -2.4549 -2.1523 -2.1523 -2.1283 -2.1283 -1.9242 -1.9242 1.9033 1.9033 2.5178 2.5178 2.7525 2.7525 2.8011 2.8011 7.6162 7.6162 8.3414 8.3414 9.7919 9.7919 k = 0.0000 0.0000 0.1609 ( 5135 PWs) bands (ev): -47.4328 -47.4328 -47.4316 -47.4316 -20.3408 -20.3408 -20.2624 -20.2624 -19.4899 -19.4899 -19.4740 -19.4740 -19.3231 -19.3231 -19.3084 -19.3084 -19.2973 -19.2973 -19.2834 -19.2834 -11.4309 -11.4309 -11.3849 -11.3849 -4.0326 -4.0326 -3.7294 -3.7294 -2.4410 -2.4410 -2.1480 -2.1480 -2.1314 -2.1314 -1.9306 -1.9306 1.9226 1.9226 2.5052 2.5052 2.7542 2.7542 2.8003 2.8003 7.6129 7.6129 8.2977 8.2977 9.8444 9.8444 k = 0.0000 0.0000 0.1716 ( 5135 PWs) bands (ev): -47.4327 -47.4327 -47.4316 -47.4316 -20.3410 -20.3410 -20.2676 -20.2676 -19.4884 -19.4884 -19.4735 -19.4735 -19.3217 -19.3217 -19.3084 -19.3084 -19.2955 -19.2955 -19.2819 -19.2819 -11.4309 -11.4309 -11.3876 -11.3876 -4.0278 -4.0278 -3.7435 -3.7435 -2.4268 -2.4268 -2.1457 -2.1457 -2.1325 -2.1325 -1.9372 -1.9372 1.9427 1.9427 2.4916 2.4916 2.7561 2.7561 2.7994 2.7994 7.6112 7.6112 8.2539 8.2539 9.8988 9.8988 k = 0.0000 0.0000 0.1824 ( 5137 PWs) bands (ev): -47.4327 -47.4327 -47.4316 -47.4316 -20.3410 -20.3410 -20.2727 -20.2727 -19.4868 -19.4868 -19.4731 -19.4731 -19.3204 -19.3204 -19.3084 -19.3084 -19.2935 -19.2935 -19.2805 -19.2805 -11.4309 -11.4309 -11.3903 -11.3903 -4.0225 -4.0225 -3.7578 -3.7578 -2.4124 -2.4124 -2.1474 -2.1474 -2.1298 -2.1298 -1.9441 -1.9441 1.9637 1.9637 2.4772 2.4772 2.7579 2.7579 2.7984 2.7984 7.6111 7.6111 8.2102 8.2102 9.9548 9.9548 k = 0.0000 0.0000 0.1931 ( 5133 PWs) bands (ev): -47.4326 -47.4326 -47.4317 -47.4317 -20.3409 -20.3409 -20.2778 -20.2778 -19.4854 -19.4854 -19.4727 -19.4727 -19.3192 -19.3192 -19.3085 -19.3085 -19.2914 -19.2914 -19.2790 -19.2790 -11.4307 -11.4307 -11.3931 -11.3931 -4.0167 -4.0167 -3.7722 -3.7722 -2.3979 -2.3979 -2.1519 -2.1519 -2.1245 -2.1245 -1.9513 -1.9513 1.9853 1.9853 2.4618 2.4618 2.7599 2.7599 2.7974 2.7974 7.6127 7.6127 8.1669 8.1669 10.0122 10.0122 k = 0.0000 0.0000 0.2038 ( 5133 PWs) bands (ev): -47.4326 -47.4326 -47.4317 -47.4317 -20.3406 -20.3406 -20.2829 -20.2829 -19.4839 -19.4839 -19.4725 -19.4725 -19.3182 -19.3182 -19.3086 -19.3086 -19.2892 -19.2892 -19.2776 -19.2776 -11.4305 -11.4305 -11.3958 -11.3958 -4.0105 -4.0105 -3.7867 -3.7867 -2.3833 -2.3833 -2.1576 -2.1576 -2.1183 -2.1183 -1.9587 -1.9587 2.0075 2.0075 2.4456 2.4456 2.7619 2.7619 2.7963 2.7963 7.6163 7.6163 8.1241 8.1241 10.0708 10.0708 k = 0.0000 0.0000 0.2146 ( 5141 PWs) bands (ev): -47.4326 -47.4326 -47.4318 -47.4318 -20.3401 -20.3401 -20.2878 -20.2878 -19.4826 -19.4826 -19.4723 -19.4723 -19.3173 -19.3173 -19.3088 -19.3088 -19.2871 -19.2871 -19.2764 -19.2764 -11.4301 -11.4301 -11.3986 -11.3986 -4.0038 -4.0038 -3.8011 -3.8011 -2.3687 -2.3687 -2.1640 -2.1640 -2.1115 -2.1115 -1.9664 -1.9664 2.0302 2.0302 2.4286 2.4286 2.7638 2.7638 2.7951 2.7951 7.6218 7.6218 8.0822 8.0822 10.1306 10.1306 k = 0.0000 0.0000 0.2253 ( 5140 PWs) bands (ev): -47.4325 -47.4325 -47.4318 -47.4318 -20.3393 -20.3393 -20.2927 -20.2927 -19.4813 -19.4813 -19.4721 -19.4721 -19.3164 -19.3164 -19.3090 -19.3090 -19.2849 -19.2849 -19.2753 -19.2753 -11.4296 -11.4296 -11.4013 -11.4013 -3.9966 -3.9966 -3.8154 -3.8154 -2.3543 -2.3543 -2.1711 -2.1711 -2.1044 -2.1044 -1.9742 -1.9742 2.0534 2.0534 2.4107 2.4107 2.7658 2.7658 2.7939 2.7939 7.6294 7.6294 8.0413 8.0413 10.1913 10.1913 k = 0.0000 0.0000 0.2360 ( 5138 PWs) bands (ev): -47.4325 -47.4325 -47.4318 -47.4318 -20.3384 -20.3384 -20.2973 -20.2973 -19.4801 -19.4801 -19.4721 -19.4721 -19.3156 -19.3156 -19.3092 -19.3092 -19.2829 -19.2829 -19.2743 -19.2743 -11.4289 -11.4289 -11.4039 -11.4039 -3.9888 -3.9888 -3.8296 -3.8296 -2.3400 -2.3400 -2.1787 -2.1787 -2.0971 -2.0971 -1.9822 -1.9822 2.0768 2.0768 2.3920 2.3920 2.7678 2.7678 2.7926 2.7926 7.6392 7.6392 8.0016 8.0016 10.2528 10.2528 k = 0.0000 0.0000 0.2467 ( 5124 PWs) bands (ev): -47.4324 -47.4324 -47.4319 -47.4319 -20.3372 -20.3372 -20.3018 -20.3018 -19.4789 -19.4789 -19.4721 -19.4721 -19.3149 -19.3149 -19.3095 -19.3095 -19.2808 -19.2808 -19.2734 -19.2734 -11.4281 -11.4281 -11.4065 -11.4065 -3.9805 -3.9805 -3.8435 -3.8435 -2.3258 -2.3258 -2.1870 -2.1870 -2.0894 -2.0894 -1.9903 -1.9903 2.1005 2.1005 2.3726 2.3726 2.7699 2.7699 2.7912 2.7912 7.6511 7.6511 7.9633 7.9633 10.3149 10.3149 k = 0.0000 0.0000 0.2575 ( 5126 PWs) bands (ev): -47.4324 -47.4324 -47.4319 -47.4319 -20.3357 -20.3357 -20.3062 -20.3062 -19.4779 -19.4779 -19.4722 -19.4722 -19.3142 -19.3142 -19.3098 -19.3098 -19.2790 -19.2790 -19.2728 -19.2728 -11.4271 -11.4271 -11.4090 -11.4090 -3.9718 -3.9718 -3.8571 -3.8571 -2.3120 -2.3120 -2.1958 -2.1958 -2.0816 -2.0816 -1.9986 -1.9986 2.1244 2.1244 2.3524 2.3524 2.7718 2.7718 2.7897 2.7897 7.6653 7.6653 7.9266 7.9266 10.3775 10.3775 k = 0.0000 0.0000 0.2682 ( 5132 PWs) bands (ev): -47.4323 -47.4323 -47.4320 -47.4320 -20.3340 -20.3340 -20.3103 -20.3103 -19.4770 -19.4770 -19.4724 -19.4724 -19.3137 -19.3137 -19.3101 -19.3101 -19.2775 -19.2775 -19.2724 -19.2724 -11.4260 -11.4260 -11.4115 -11.4115 -3.9625 -3.9625 -3.8705 -3.8705 -2.2984 -2.2984 -2.2052 -2.2052 -2.0737 -2.0737 -2.0069 -2.0069 2.1483 2.1483 2.3315 2.3315 2.7738 2.7738 2.7882 2.7882 7.6817 7.6817 7.8914 7.8914 10.4405 10.4405 k = 0.0000 0.0000 0.2789 ( 5136 PWs) bands (ev): -47.4323 -47.4323 -47.4320 -47.4320 -20.3319 -20.3319 -20.3142 -20.3142 -19.4761 -19.4761 -19.4727 -19.4727 -19.3131 -19.3131 -19.3105 -19.3105 -19.2761 -19.2761 -19.2722 -19.2722 -11.4247 -11.4247 -11.4138 -11.4138 -3.9526 -3.9526 -3.8835 -3.8835 -2.2852 -2.2852 -2.2151 -2.2151 -2.0656 -2.0656 -2.0154 -2.0154 2.1721 2.1721 2.3101 2.3101 2.7758 2.7758 2.7866 2.7866 7.7004 7.7004 7.8581 7.8581 10.5037 10.5037 k = 0.0000 0.0000 0.2896 ( 5140 PWs) bands (ev): -47.4322 -47.4322 -47.4321 -47.4321 -20.3297 -20.3297 -20.3178 -20.3178 -19.4754 -19.4754 -19.4730 -19.4730 -19.3126 -19.3126 -19.3109 -19.3109 -19.2749 -19.2749 -19.2722 -19.2722 -11.4233 -11.4233 -11.4159 -11.4159 -3.9423 -3.9423 -3.8962 -3.8962 -2.2724 -2.2724 -2.2255 -2.2255 -2.0574 -2.0574 -2.0238 -2.0238 2.1959 2.1959 2.2881 2.2881 2.7777 2.7777 2.7849 2.7849 7.7213 7.7213 7.8266 7.8266 10.5670 10.5670 k = 0.0000 0.0000 0.3004 ( 5140 PWs) bands (ev): -47.4322 -47.4322 -47.4321 -47.4321 -20.3271 -20.3271 -20.3212 -20.3212 -19.4746 -19.4746 -19.4735 -19.4735 -19.3122 -19.3122 -19.3113 -19.3113 -19.2738 -19.2738 -19.2725 -19.2725 -11.4217 -11.4217 -11.4180 -11.4180 -3.9315 -3.9315 -3.9084 -3.9084 -2.2600 -2.2600 -2.2366 -2.2366 -2.0490 -2.0490 -2.0322 -2.0322 2.2194 2.2194 2.2656 2.2656 2.7796 2.7796 2.7832 2.7832 7.7444 7.7444 7.7971 7.7971 10.6302 10.6302 k = 0.0000 0.0000 0.3111 ( 5132 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3243 -20.3243 -20.3243 -20.3243 -19.4740 -19.4740 -19.4740 -19.4740 -19.3117 -19.3117 -19.3117 -19.3117 -19.2730 -19.2730 -19.2730 -19.2730 -11.4199 -11.4199 -11.4199 -11.4199 -3.9201 -3.9201 -3.9201 -3.9201 -2.2480 -2.2480 -2.2480 -2.2480 -2.0407 -2.0407 -2.0407 -2.0407 2.2427 2.2427 2.2427 2.2427 2.7814 2.7814 2.7814 2.7814 7.7697 7.7697 7.7697 7.7697 10.6931 10.6931 k = 0.0000 0.0000 0.3111 ( 5132 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3243 -20.3243 -20.3243 -20.3243 -19.4740 -19.4740 -19.4740 -19.4740 -19.3117 -19.3117 -19.3117 -19.3117 -19.2730 -19.2730 -19.2730 -19.2730 -11.4199 -11.4199 -11.4199 -11.4199 -3.9201 -3.9201 -3.9201 -3.9201 -2.2480 -2.2480 -2.2480 -2.2480 -2.0407 -2.0407 -2.0407 -2.0407 2.2427 2.2427 2.2427 2.2427 2.7814 2.7814 2.7814 2.7814 7.7697 7.7697 7.7697 7.7697 10.6931 10.6931 k = 0.0109-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3244 -20.3244 -20.3243 -20.3243 -19.4742 -19.4742 -19.4738 -19.4738 -19.3117 -19.3117 -19.3117 -19.3117 -19.2731 -19.2731 -19.2728 -19.2728 -11.4199 -11.4199 -11.4199 -11.4199 -3.9199 -3.9199 -3.9199 -3.9199 -2.2491 -2.2491 -2.2480 -2.2480 -2.0418 -2.0418 -2.0406 -2.0406 2.2428 2.2428 2.2430 2.2430 2.7807 2.7807 2.7809 2.7809 7.7711 7.7711 7.7714 7.7714 10.6935 10.6937 k = 0.0217-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3245 -20.3245 -20.3244 -20.3244 -19.4743 -19.4743 -19.4735 -19.4735 -19.3118 -19.3118 -19.3118 -19.3118 -19.2730 -19.2730 -19.2723 -19.2723 -11.4198 -11.4198 -11.4198 -11.4198 -3.9192 -3.9192 -3.9192 -3.9192 -2.2512 -2.2512 -2.2489 -2.2489 -2.0440 -2.0440 -2.0415 -2.0415 2.2433 2.2433 2.2436 2.2436 2.7787 2.7787 2.7792 2.7792 7.7755 7.7755 7.7761 7.7761 10.6947 10.6947 k = 0.0326-0.0000 0.3111 ( 5154 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3248 -20.3248 -20.3246 -20.3246 -19.4745 -19.4745 -19.4733 -19.4733 -19.3120 -19.3120 -19.3119 -19.3119 -19.2728 -19.2728 -19.2717 -19.2717 -11.4197 -11.4197 -11.4197 -11.4197 -3.9180 -3.9180 -3.9180 -3.9180 -2.2543 -2.2543 -2.2509 -2.2509 -2.0472 -2.0472 -2.0435 -2.0435 2.2440 2.2440 2.2445 2.2445 2.7755 2.7755 2.7763 2.7763 7.7829 7.7829 7.7838 7.7838 10.6968 10.6968 k = 0.0435-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3252 -20.3252 -20.3250 -20.3250 -19.4745 -19.4745 -19.4729 -19.4729 -19.3121 -19.3121 -19.3120 -19.3120 -19.2722 -19.2722 -19.2708 -19.2708 -11.4196 -11.4196 -11.4195 -11.4195 -3.9164 -3.9164 -3.9164 -3.9164 -2.2586 -2.2586 -2.2540 -2.2540 -2.0513 -2.0513 -2.0463 -2.0463 2.2452 2.2452 2.2459 2.2459 2.7712 2.7712 2.7723 2.7723 7.7933 7.7933 7.7945 7.7945 10.6997 10.6997 k = 0.0543-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3257 -20.3257 -20.3254 -20.3254 -19.4745 -19.4745 -19.4725 -19.4725 -19.3122 -19.3122 -19.3121 -19.3121 -19.2716 -19.2716 -19.2699 -19.2699 -11.4194 -11.4194 -11.4194 -11.4194 -3.9142 -3.9142 -3.9142 -3.9142 -2.2640 -2.2640 -2.2583 -2.2583 -2.0561 -2.0561 -2.0499 -2.0499 2.2467 2.2467 2.2475 2.2475 2.7657 2.7657 2.7671 2.7671 7.8066 7.8066 7.8080 7.8080 10.7036 10.7036 k = 0.0652-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3264 -20.3264 -20.3259 -20.3259 -19.4744 -19.4744 -19.4720 -19.4720 -19.3123 -19.3123 -19.3123 -19.3123 -19.2707 -19.2707 -19.2687 -19.2687 -11.4191 -11.4191 -11.4191 -11.4191 -3.9116 -3.9116 -3.9116 -3.9116 -2.2706 -2.2706 -2.2638 -2.2638 -2.0616 -2.0616 -2.0542 -2.0542 2.2485 2.2485 2.2495 2.2495 2.7591 2.7591 2.7608 2.7608 7.8228 7.8228 7.8245 7.8245 10.7083 10.7084 k = 0.0761-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3271 -20.3271 -20.3266 -20.3266 -19.4743 -19.4743 -19.4715 -19.4715 -19.3125 -19.3125 -19.3125 -19.3125 -19.2697 -19.2697 -19.2674 -19.2674 -11.4188 -11.4188 -11.4188 -11.4188 -3.9086 -3.9086 -3.9086 -3.9086 -2.2787 -2.2787 -2.2709 -2.2709 -2.0675 -2.0675 -2.0590 -2.0590 2.2506 2.2506 2.2518 2.2518 2.7514 2.7514 2.7534 2.7534 7.8417 7.8417 7.8436 7.8436 10.7139 10.7139 k = 0.0870-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3278 -20.3278 -20.3273 -20.3273 -19.4742 -19.4742 -19.4710 -19.4710 -19.3127 -19.3127 -19.3127 -19.3127 -19.2685 -19.2685 -19.2660 -19.2660 -11.4185 -11.4185 -11.4185 -11.4185 -3.9051 -3.9051 -3.9051 -3.9051 -2.2882 -2.2882 -2.2794 -2.2794 -2.0736 -2.0736 -2.0641 -2.0641 2.2530 2.2530 2.2544 2.2544 2.7426 2.7426 2.7449 2.7449 7.8632 7.8632 7.8655 7.8655 10.7204 10.7204 k = 0.0978-0.0000 0.3111 ( 5130 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3287 -20.3287 -20.3281 -20.3281 -19.4740 -19.4740 -19.4705 -19.4705 -19.3129 -19.3129 -19.3128 -19.3128 -19.2672 -19.2672 -19.2644 -19.2644 -11.4182 -11.4182 -11.4182 -11.4182 -3.9012 -3.9012 -3.9011 -3.9011 -2.2992 -2.2992 -2.2896 -2.2896 -2.0798 -2.0798 -2.0693 -2.0693 2.2557 2.2557 2.2573 2.2573 2.7330 2.7330 2.7356 2.7356 7.8873 7.8873 7.8899 7.8899 10.7277 10.7277 k = 0.1087-0.0000 0.3111 ( 5134 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3297 -20.3297 -20.3290 -20.3290 -19.4737 -19.4737 -19.4699 -19.4699 -19.3131 -19.3131 -19.3129 -19.3129 -19.2658 -19.2658 -19.2628 -19.2628 -11.4178 -11.4178 -11.4178 -11.4178 -3.8968 -3.8968 -3.8968 -3.8968 -2.3119 -2.3119 -2.3016 -2.3016 -2.0859 -2.0859 -2.0746 -2.0746 2.2587 2.2587 2.2605 2.2605 2.7223 2.7223 2.7253 2.7253 7.9138 7.9138 7.9167 7.9167 10.7358 10.7358 k = 0.1196-0.0000 0.3111 ( 5134 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3308 -20.3308 -20.3300 -20.3300 -19.4735 -19.4735 -19.4692 -19.4692 -19.3133 -19.3133 -19.3130 -19.3130 -19.2642 -19.2642 -19.2610 -19.2610 -11.4174 -11.4174 -11.4173 -11.4173 -3.8920 -3.8920 -3.8920 -3.8920 -2.3262 -2.3262 -2.3154 -2.3154 -2.0917 -2.0917 -2.0798 -2.0798 2.2618 2.2618 2.2639 2.2639 2.7109 2.7109 2.7142 2.7142 7.9427 7.9427 7.9458 7.9458 10.7447 10.7448 k = 0.1304-0.0000 0.3111 ( 5146 PWs) bands (ev): -47.4318 -47.4318 -47.4318 -47.4318 -20.3319 -20.3319 -20.3311 -20.3311 -19.4732 -19.4732 -19.4686 -19.4686 -19.3135 -19.3135 -19.3131 -19.3131 -19.2626 -19.2626 -19.2592 -19.2592 -11.4169 -11.4169 -11.4169 -11.4169 -3.8868 -3.8868 -3.8868 -3.8868 -2.3422 -2.3422 -2.3309 -2.3309 -2.0972 -2.0972 -2.0848 -2.0848 2.2652 2.2652 2.2675 2.2675 2.6986 2.6986 2.7022 2.7022 7.9737 7.9737 7.9770 7.9770 10.7544 10.7545 k = 0.1413-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3331 -20.3331 -20.3322 -20.3322 -19.4729 -19.4729 -19.4679 -19.4679 -19.3137 -19.3137 -19.3132 -19.3132 -19.2608 -19.2608 -19.2573 -19.2573 -11.4164 -11.4164 -11.4164 -11.4164 -3.8812 -3.8812 -3.8812 -3.8812 -2.3598 -2.3598 -2.3483 -2.3483 -2.1022 -2.1022 -2.0894 -2.0894 2.2688 2.2688 2.2714 2.2714 2.6857 2.6857 2.6897 2.6897 8.0066 8.0066 8.0103 8.0103 10.7649 10.7649 k = 0.1522-0.0000 0.3111 ( 5150 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3344 -20.3344 -20.3334 -20.3334 -19.4726 -19.4726 -19.4673 -19.4673 -19.3139 -19.3139 -19.3132 -19.3132 -19.2590 -19.2590 -19.2553 -19.2553 -11.4159 -11.4159 -11.4159 -11.4159 -3.8752 -3.8752 -3.8752 -3.8752 -2.3789 -2.3789 -2.3673 -2.3673 -2.1067 -2.1067 -2.0938 -2.0938 2.2725 2.2725 2.2753 2.2753 2.6721 2.6721 2.6765 2.6765 8.0415 8.0415 8.0454 8.0454 10.7762 10.7762 k = 0.1630-0.0000 0.3111 ( 5162 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3357 -20.3357 -20.3347 -20.3347 -19.4723 -19.4723 -19.4666 -19.4666 -19.3141 -19.3141 -19.3133 -19.3133 -19.2571 -19.2571 -19.2532 -19.2532 -11.4154 -11.4154 -11.4153 -11.4153 -3.8689 -3.8689 -3.8688 -3.8688 -2.3995 -2.3995 -2.3879 -2.3879 -2.1108 -2.1108 -2.0978 -2.0978 2.2763 2.2763 2.2795 2.2795 2.6580 2.6580 2.6628 2.6628 8.0780 8.0780 8.0822 8.0822 10.7883 10.7883 k = 0.1739-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3371 -20.3371 -20.3360 -20.3360 -19.4718 -19.4718 -19.4658 -19.4658 -19.3142 -19.3142 -19.3132 -19.3132 -19.2550 -19.2550 -19.2510 -19.2510 -11.4148 -11.4148 -11.4148 -11.4148 -3.8621 -3.8621 -3.8621 -3.8621 -2.4214 -2.4214 -2.4099 -2.4099 -2.1144 -2.1144 -2.1014 -2.1014 2.2802 2.2802 2.2837 2.2837 2.6435 2.6435 2.6487 2.6487 8.1160 8.1160 8.1205 8.1205 10.8011 10.8011 k = 0.1848-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4315 -47.4315 -47.4315 -47.4315 -20.3385 -20.3385 -20.3374 -20.3374 -19.4713 -19.4713 -19.4650 -19.4650 -19.3143 -19.3143 -19.3131 -19.3131 -19.2530 -19.2530 -19.2489 -19.2489 -11.4142 -11.4142 -11.4142 -11.4142 -3.8551 -3.8551 -3.8550 -3.8550 -2.4446 -2.4446 -2.4332 -2.4332 -2.1176 -2.1176 -2.1047 -2.1047 2.2841 2.2841 2.2880 2.2880 2.6286 2.6286 2.6343 2.6343 8.1553 8.1553 8.1601 8.1601 10.8147 10.8148 k = 0.1957-0.0000 0.3111 ( 5142 PWs) bands (ev): -47.4314 -47.4314 -47.4314 -47.4314 -20.3400 -20.3400 -20.3388 -20.3388 -19.4709 -19.4709 -19.4642 -19.4642 -19.3144 -19.3144 -19.3131 -19.3131 -19.2509 -19.2509 -19.2467 -19.2467 -11.4136 -11.4136 -11.4136 -11.4136 -3.8477 -3.8477 -3.8476 -3.8476 -2.4688 -2.4688 -2.4576 -2.4576 -2.1205 -2.1205 -2.1076 -2.1076 2.2879 2.2879 2.2923 2.2923 2.6135 2.6135 2.6197 2.6197 8.1958 8.1958 8.2009 8.2009 10.8291 10.8291 k = 0.2065-0.0000 0.3111 ( 5138 PWs) bands (ev): -47.4313 -47.4313 -47.4313 -47.4313 -20.3415 -20.3415 -20.3403 -20.3403 -19.4704 -19.4704 -19.4635 -19.4635 -19.3145 -19.3145 -19.3129 -19.3129 -19.2487 -19.2487 -19.2444 -19.2444 -11.4130 -11.4130 -11.4130 -11.4130 -3.8400 -3.8400 -3.8399 -3.8399 -2.4939 -2.4939 -2.4829 -2.4829 -2.1230 -2.1230 -2.1103 -2.1103 2.2917 2.2917 2.2965 2.2965 2.5983 2.5983 2.6050 2.6050 8.2373 8.2373 8.2426 8.2426 10.8442 10.8442 k = 0.2174-0.0000 0.3111 ( 5146 PWs) bands (ev): -47.4313 -47.4313 -47.4313 -47.4313 -20.3430 -20.3430 -20.3418 -20.3418 -19.4700 -19.4700 -19.4627 -19.4627 -19.3145 -19.3145 -19.3128 -19.3128 -19.2466 -19.2466 -19.2422 -19.2422 -11.4124 -11.4124 -11.4123 -11.4123 -3.8320 -3.8320 -3.8319 -3.8319 -2.5199 -2.5199 -2.5091 -2.5091 -2.1253 -2.1253 -2.1127 -2.1127 2.2953 2.2953 2.3006 2.3006 2.5830 2.5830 2.5904 2.5904 8.2795 8.2795 8.2851 8.2851 10.8601 10.8601 k = 0.2283-0.0000 0.3111 ( 5146 PWs) bands (ev): -47.4312 -47.4312 -47.4312 -47.4312 -20.3446 -20.3446 -20.3433 -20.3433 -19.4695 -19.4695 -19.4619 -19.4619 -19.3145 -19.3145 -19.3127 -19.3127 -19.2444 -19.2444 -19.2399 -19.2399 -11.4117 -11.4117 -11.4117 -11.4117 -3.8237 -3.8237 -3.8237 -3.8237 -2.5464 -2.5464 -2.5359 -2.5359 -2.1273 -2.1273 -2.1149 -2.1149 2.2987 2.2987 2.3045 2.3045 2.5679 2.5679 2.5759 2.5759 8.3224 8.3224 8.3282 8.3282 10.8767 10.8767 k = 0.2391-0.0000 0.3111 ( 5144 PWs) bands (ev): -47.4311 -47.4311 -47.4311 -47.4311 -20.3461 -20.3461 -20.3448 -20.3448 -19.4690 -19.4690 -19.4611 -19.4611 -19.3145 -19.3145 -19.3125 -19.3125 -19.2422 -19.2422 -19.2377 -19.2377 -11.4111 -11.4111 -11.4111 -11.4111 -3.8152 -3.8152 -3.8152 -3.8152 -2.5735 -2.5735 -2.5632 -2.5632 -2.1290 -2.1290 -2.1169 -2.1169 2.3017 2.3017 2.3082 2.3082 2.5530 2.5530 2.5617 2.5617 8.3656 8.3656 8.3717 8.3717 10.8941 10.8941 k = 0.2500-0.0000 0.3111 ( 5144 PWs) bands (ev): -47.4310 -47.4310 -47.4310 -47.4310 -20.3477 -20.3477 -20.3463 -20.3463 -19.4685 -19.4685 -19.4603 -19.4603 -19.3145 -19.3145 -19.3123 -19.3123 -19.2400 -19.2400 -19.2354 -19.2354 -11.4105 -11.4105 -11.4104 -11.4104 -3.8065 -3.8065 -3.8064 -3.8064 -2.6009 -2.6009 -2.5908 -2.5908 -2.1306 -2.1306 -2.1187 -2.1187 2.3043 2.3043 2.3115 2.3115 2.5385 2.5385 2.5480 2.5480 8.4091 8.4091 8.4154 8.4154 10.9123 10.9124 k = 0.2609-0.0000 0.3111 ( 5140 PWs) bands (ev): -47.4310 -47.4310 -47.4310 -47.4310 -20.3493 -20.3493 -20.3479 -20.3479 -19.4680 -19.4680 -19.4596 -19.4596 -19.3144 -19.3144 -19.3120 -19.3120 -19.2378 -19.2378 -19.2332 -19.2332 -11.4098 -11.4098 -11.4098 -11.4098 -3.7976 -3.7976 -3.7975 -3.7975 -2.6285 -2.6285 -2.6186 -2.6186 -2.1321 -2.1321 -2.1203 -2.1203 2.3064 2.3064 2.3143 2.3143 2.5247 2.5247 2.5349 2.5349 8.4525 8.4525 8.4592 8.4592 10.9312 10.9312 k = 0.2717-0.0000 0.3111 ( 5140 PWs) bands (ev): -47.4309 -47.4309 -47.4309 -47.4309 -20.3508 -20.3508 -20.3494 -20.3494 -19.4675 -19.4675 -19.4588 -19.4588 -19.3143 -19.3143 -19.3118 -19.3118 -19.2357 -19.2357 -19.2310 -19.2310 -11.4092 -11.4092 -11.4091 -11.4091 -3.7884 -3.7884 -3.7883 -3.7883 -2.6561 -2.6561 -2.6465 -2.6465 -2.1334 -2.1334 -2.1217 -2.1217 2.3078 2.3078 2.3164 2.3164 2.5115 2.5115 2.5226 2.5226 8.4958 8.4958 8.5027 8.5027 10.9510 10.9510 k = 0.2826-0.0000 0.3111 ( 5148 PWs) bands (ev): -47.4308 -47.4308 -47.4308 -47.4308 -20.3524 -20.3524 -20.3509 -20.3509 -19.4670 -19.4670 -19.4581 -19.4581 -19.3143 -19.3143 -19.3115 -19.3115 -19.2336 -19.2336 -19.2289 -19.2289 -11.4085 -11.4085 -11.4085 -11.4085 -3.7792 -3.7792 -3.7791 -3.7791 -2.6837 -2.6837 -2.6743 -2.6743 -2.1346 -2.1346 -2.1231 -2.1231 2.3084 2.3084 2.3178 2.3178 2.4994 2.4994 2.5113 2.5113 8.5388 8.5388 8.5459 8.5459 10.9715 10.9715 k = 0.2935-0.0000 0.3111 ( 5136 PWs) bands (ev): -47.4307 -47.4307 -47.4307 -47.4307 -20.3539 -20.3539 -20.3524 -20.3524 -19.4665 -19.4665 -19.4573 -19.4573 -19.3141 -19.3141 -19.3112 -19.3112 -19.2315 -19.2315 -19.2267 -19.2267 -11.4079 -11.4079 -11.4079 -11.4079 -3.7698 -3.7698 -3.7697 -3.7697 -2.7111 -2.7111 -2.7018 -2.7018 -2.1356 -2.1356 -2.1243 -2.1243 2.3082 2.3082 2.3183 2.3183 2.4884 2.4884 2.5010 2.5010 8.5811 8.5811 8.5885 8.5885 10.9928 10.9928 k = 0.3043-0.0000 0.3111 ( 5132 PWs) bands (ev): -47.4307 -47.4307 -47.4307 -47.4307 -20.3554 -20.3554 -20.3538 -20.3538 -19.4660 -19.4660 -19.4566 -19.4566 -19.3140 -19.3140 -19.3110 -19.3110 -19.2295 -19.2295 -19.2246 -19.2246 -11.4073 -11.4073 -11.4072 -11.4072 -3.7603 -3.7603 -3.7602 -3.7602 -2.7382 -2.7382 -2.7291 -2.7291 -2.1366 -2.1366 -2.1254 -2.1254 2.3070 2.3070 2.3178 2.3178 2.4787 2.4787 2.4920 2.4920 8.6228 8.6228 8.6303 8.6303 11.0150 11.0150 k = 0.3152-0.0000 0.3111 ( 5132 PWs) bands (ev): -47.4306 -47.4306 -47.4306 -47.4306 -20.3569 -20.3569 -20.3553 -20.3553 -19.4655 -19.4655 -19.4559 -19.4559 -19.3139 -19.3139 -19.3107 -19.3107 -19.2275 -19.2275 -19.2226 -19.2226 -11.4067 -11.4067 -11.4066 -11.4066 -3.7508 -3.7508 -3.7506 -3.7506 -2.7649 -2.7649 -2.7559 -2.7559 -2.1375 -2.1375 -2.1264 -2.1264 2.3048 2.3048 2.3160 2.3160 2.4705 2.4705 2.4844 2.4844 8.6635 8.6635 8.6713 8.6713 11.0379 11.0385 k = 0.3261-0.0000 0.3111 ( 5120 PWs) bands (ev): -47.4305 -47.4305 -47.4305 -47.4305 -20.3583 -20.3583 -20.3567 -20.3567 -19.4650 -19.4650 -19.4552 -19.4552 -19.3137 -19.3137 -19.3104 -19.3104 -19.2255 -19.2255 -19.2206 -19.2206 -11.4061 -11.4061 -11.4060 -11.4060 -3.7413 -3.7413 -3.7410 -3.7410 -2.7910 -2.7910 -2.7821 -2.7821 -2.1383 -2.1383 -2.1273 -2.1273 2.3016 2.3016 2.3131 2.3131 2.4638 2.4638 2.4781 2.4781 8.7030 8.7030 8.7110 8.7110 11.0616 11.0669 k = 0.3370-0.0000 0.3111 ( 5124 PWs) bands (ev): -47.4305 -47.4305 -47.4305 -47.4305 -20.3596 -20.3596 -20.3580 -20.3580 -19.4646 -19.4646 -19.4546 -19.4546 -19.3136 -19.3136 -19.3101 -19.3101 -19.2237 -19.2237 -19.2188 -19.2188 -11.4055 -11.4055 -11.4055 -11.4055 -3.7318 -3.7318 -3.7315 -3.7315 -2.8164 -2.8164 -2.8077 -2.8077 -2.1390 -2.1390 -2.1282 -2.1282 2.2974 2.2974 2.3091 2.3091 2.4587 2.4587 2.4732 2.4732 8.7413 8.7413 8.7495 8.7495 11.0860 11.0865 k = 0.3478-0.0000 0.3111 ( 5114 PWs) bands (ev): -47.4304 -47.4304 -47.4304 -47.4304 -20.3609 -20.3609 -20.3593 -20.3593 -19.4641 -19.4641 -19.4539 -19.4539 -19.3134 -19.3134 -19.3098 -19.3098 -19.2219 -19.2219 -19.2170 -19.2170 -11.4050 -11.4050 -11.4049 -11.4049 -3.7223 -3.7223 -3.7220 -3.7220 -2.8411 -2.8411 -2.8324 -2.8324 -2.1397 -2.1397 -2.1289 -2.1289 2.2925 2.2925 2.3041 2.3041 2.4550 2.4550 2.4694 2.4694 8.7780 8.7780 8.7864 8.7864 11.1110 11.1113 k = 0.3587-0.0000 0.3111 ( 5106 PWs) bands (ev): -47.4303 -47.4303 -47.4303 -47.4303 -20.3622 -20.3622 -20.3605 -20.3605 -19.4637 -19.4637 -19.4533 -19.4533 -19.3133 -19.3133 -19.3096 -19.3096 -19.2202 -19.2202 -19.2152 -19.2152 -11.4045 -11.4045 -11.4044 -11.4044 -3.7130 -3.7130 -3.7126 -3.7126 -2.8648 -2.8648 -2.8562 -2.8562 -2.1403 -2.1403 -2.1296 -2.1296 2.2869 2.2869 2.2982 2.2982 2.4526 2.4526 2.4668 2.4668 8.8131 8.8131 8.8217 8.8217 11.1367 11.1367 k = 0.3696-0.0000 0.3111 ( 5112 PWs) bands (ev): -47.4303 -47.4303 -47.4303 -47.4303 -20.3633 -20.3633 -20.3616 -20.3616 -19.4633 -19.4633 -19.4528 -19.4528 -19.3131 -19.3131 -19.3093 -19.3093 -19.2187 -19.2187 -19.2137 -19.2137 -11.4040 -11.4040 -11.4039 -11.4039 -3.7039 -3.7039 -3.7035 -3.7035 -2.8876 -2.8876 -2.8791 -2.8791 -2.1409 -2.1409 -2.1303 -2.1303 2.2808 2.2808 2.2919 2.2919 2.4511 2.4511 2.4651 2.4651 8.8463 8.8463 8.8551 8.8551 11.1629 11.1629 k = 0.3804-0.0000 0.3111 ( 5112 PWs) bands (ev): -47.4302 -47.4302 -47.4302 -47.4302 -20.3644 -20.3644 -20.3627 -20.3627 -19.4630 -19.4630 -19.4523 -19.4523 -19.3130 -19.3130 -19.3091 -19.3091 -19.2172 -19.2172 -19.2122 -19.2122 -11.4035 -11.4035 -11.4035 -11.4035 -3.6950 -3.6950 -3.6946 -3.6946 -2.9092 -2.9092 -2.9007 -2.9007 -2.1414 -2.1414 -2.1309 -2.1309 2.2745 2.2745 2.2852 2.2852 2.4505 2.4505 2.4641 2.4641 8.8776 8.8776 8.8865 8.8865 11.1894 11.1894 k = 0.3913-0.0000 0.3111 ( 5104 PWs) bands (ev): -47.4302 -47.4302 -47.4302 -47.4302 -20.3655 -20.3655 -20.3637 -20.3637 -19.4626 -19.4626 -19.4518 -19.4518 -19.3128 -19.3128 -19.3088 -19.3088 -19.2158 -19.2158 -19.2108 -19.2108 -11.4031 -11.4031 -11.4030 -11.4030 -3.6865 -3.6865 -3.6860 -3.6860 -2.9295 -2.9295 -2.9210 -2.9210 -2.1419 -2.1419 -2.1314 -2.1314 2.2683 2.2683 2.2785 2.2785 2.4505 2.4505 2.4637 2.4637 8.9067 8.9067 8.9157 8.9157 11.2161 11.2161 k = 0.4022-0.0000 0.3111 ( 5094 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.3664 -20.3664 -20.3646 -20.3646 -19.4623 -19.4623 -19.4514 -19.4514 -19.3127 -19.3127 -19.3086 -19.3086 -19.2145 -19.2145 -19.2095 -19.2095 -11.4027 -11.4027 -11.4027 -11.4027 -3.6783 -3.6783 -3.6778 -3.6778 -2.9484 -2.9484 -2.9400 -2.9400 -2.1423 -2.1423 -2.1318 -2.1318 2.2621 2.2621 2.2719 2.2719 2.4509 2.4509 2.4638 2.4638 8.9335 8.9335 8.9426 8.9426 11.2427 11.2427 k = 0.4130-0.0000 0.3111 ( 5106 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.3673 -20.3673 -20.3655 -20.3655 -19.4620 -19.4620 -19.4510 -19.4510 -19.3126 -19.3126 -19.3084 -19.3084 -19.2134 -19.2134 -19.2083 -19.2083 -11.4024 -11.4024 -11.4023 -11.4023 -3.6707 -3.6707 -3.6701 -3.6701 -2.9658 -2.9658 -2.9574 -2.9574 -2.1427 -2.1427 -2.1323 -2.1323 2.2562 2.2562 2.2656 2.2656 2.4516 2.4516 2.4640 2.4640 8.9578 8.9578 8.9671 8.9671 11.2689 11.2692 k = 0.4239-0.0000 0.3111 ( 5104 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.3680 -20.3680 -20.3662 -20.3662 -19.4618 -19.4618 -19.4507 -19.4507 -19.3125 -19.3125 -19.3082 -19.3082 -19.2123 -19.2123 -19.2073 -19.2073 -11.4021 -11.4021 -11.4020 -11.4020 -3.6637 -3.6637 -3.6630 -3.6630 -2.9816 -2.9816 -2.9732 -2.9732 -2.1430 -2.1430 -2.1327 -2.1327 2.2508 2.2508 2.2599 2.2599 2.4524 2.4524 2.4646 2.4646 8.9796 8.9796 8.9890 8.9890 11.2943 11.2949 k = 0.4348-0.0000 0.3111 ( 5102 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.3687 -20.3687 -20.3669 -20.3669 -19.4616 -19.4616 -19.4504 -19.4504 -19.3124 -19.3124 -19.3081 -19.3081 -19.2114 -19.2114 -19.2064 -19.2064 -11.4018 -11.4018 -11.4017 -11.4017 -3.6573 -3.6573 -3.6565 -3.6565 -2.9956 -2.9956 -2.9872 -2.9872 -2.1433 -2.1433 -2.1330 -2.1330 2.2459 2.2459 2.2546 2.2546 2.4533 2.4533 2.4652 2.4652 8.9987 8.9987 9.0082 9.0082 11.3184 11.3186 k = 0.4457-0.0000 0.3111 ( 5096 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.3693 -20.3693 -20.3675 -20.3675 -19.4614 -19.4614 -19.4501 -19.4501 -19.3123 -19.3123 -19.3079 -19.3079 -19.2106 -19.2106 -19.2056 -19.2056 -11.4015 -11.4015 -11.4015 -11.4015 -3.6517 -3.6517 -3.6509 -3.6509 -3.0077 -3.0077 -2.9992 -2.9992 -2.1435 -2.1435 -2.1333 -2.1333 2.2416 2.2416 2.2501 2.2501 2.4542 2.4542 2.4658 2.4658 9.0151 9.0151 9.0246 9.0246 11.3405 11.3405 k = 0.4565-0.0000 0.3111 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3697 -20.3697 -20.3679 -20.3679 -19.4612 -19.4612 -19.4499 -19.4499 -19.3122 -19.3122 -19.3078 -19.3078 -19.2100 -19.2100 -19.2049 -19.2049 -11.4013 -11.4013 -11.4013 -11.4013 -3.6469 -3.6469 -3.6461 -3.6461 -3.0178 -3.0178 -3.0093 -3.0093 -2.1437 -2.1437 -2.1335 -2.1335 2.2380 2.2380 2.2463 2.2463 2.4550 2.4550 2.4664 2.4664 9.0285 9.0285 9.0382 9.0382 11.3601 11.3601 k = 0.4674-0.0000 0.3111 ( 5094 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3701 -20.3701 -20.3683 -20.3683 -19.4611 -19.4611 -19.4497 -19.4497 -19.3122 -19.3122 -19.3077 -19.3077 -19.2095 -19.2095 -19.2044 -19.2044 -11.4012 -11.4012 -11.4011 -11.4011 -3.6431 -3.6431 -3.6422 -3.6422 -3.0258 -3.0258 -3.0173 -3.0173 -2.1439 -2.1439 -2.1336 -2.1336 2.2351 2.2351 2.2433 2.2433 2.4556 2.4556 2.4669 2.4669 9.0391 9.0391 9.0488 9.0488 11.3764 11.3770 k = 0.4783-0.0000 0.3111 ( 5090 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3704 -20.3704 -20.3685 -20.3685 -19.4610 -19.4610 -19.4496 -19.4496 -19.3121 -19.3121 -19.3076 -19.3076 -19.2091 -19.2091 -19.2040 -19.2040 -11.4011 -11.4011 -11.4010 -11.4010 -3.6404 -3.6404 -3.6394 -3.6394 -3.0315 -3.0315 -3.0230 -3.0230 -2.1440 -2.1440 -2.1338 -2.1338 2.2331 2.2331 2.2411 2.2411 2.4561 2.4561 2.4672 2.4672 9.0467 9.0467 9.0564 9.0564 11.3887 11.3887 k = 0.4891-0.0000 0.3111 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3705 -20.3705 -20.3687 -20.3687 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2089 -19.2089 -19.2038 -19.2038 -11.4010 -11.4010 -11.4009 -11.4009 -3.6387 -3.6387 -3.6377 -3.6377 -3.0350 -3.0350 -3.0265 -3.0265 -2.1440 -2.1440 -2.1338 -2.1338 2.2318 2.2318 2.2398 2.2398 2.4564 2.4564 2.4675 2.4675 9.0513 9.0513 9.0610 9.0610 11.3964 11.3964 k = 0.5000-0.0000 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3706 -20.3706 -20.3687 -20.3687 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2088 -19.2088 -19.2037 -19.2037 -11.4010 -11.4010 -11.4009 -11.4009 -3.6381 -3.6381 -3.6372 -3.6372 -3.0362 -3.0362 -3.0277 -3.0277 -2.1441 -2.1441 -2.1338 -2.1338 2.2314 2.2314 2.2393 2.2393 2.4565 2.4565 2.4676 2.4676 9.0528 9.0528 9.0625 9.0625 11.3990 11.3990 k = 0.5000-0.0000 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3706 -20.3706 -20.3687 -20.3687 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2088 -19.2088 -19.2037 -19.2037 -11.4010 -11.4010 -11.4009 -11.4009 -3.6381 -3.6381 -3.6372 -3.6372 -3.0362 -3.0362 -3.0277 -3.0277 -2.1441 -2.1441 -2.1338 -2.1338 2.2314 2.2314 2.2393 2.2393 2.4565 2.4565 2.4676 2.4676 9.0528 9.0528 9.0625 9.0625 11.3990 11.3990 k = 0.5000 0.0109 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3704 -20.3704 -20.3686 -20.3686 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2090 -19.2090 -19.2039 -19.2039 -11.4011 -11.4011 -11.4010 -11.4010 -3.6381 -3.6381 -3.6371 -3.6371 -3.0355 -3.0355 -3.0270 -3.0270 -2.1445 -2.1445 -2.1343 -2.1343 2.2314 2.2314 2.2393 2.2393 2.4568 2.4568 2.4679 2.4679 9.0515 9.0515 9.0613 9.0613 11.4019 11.4027 k = 0.5000 0.0217 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3699 -20.3699 -20.3680 -20.3680 -19.4611 -19.4611 -19.4496 -19.4496 -19.3122 -19.3122 -19.3077 -19.3077 -19.2094 -19.2094 -19.2043 -19.2043 -11.4013 -11.4013 -11.4012 -11.4012 -3.6380 -3.6380 -3.6370 -3.6370 -3.0336 -3.0336 -3.0251 -3.0251 -2.1460 -2.1460 -2.1358 -2.1358 2.2314 2.2314 2.2392 2.2392 2.4578 2.4578 2.4687 2.4687 9.0477 9.0477 9.0574 9.0574 11.4105 11.4107 k = 0.5000 0.0326 0.3111 ( 5080 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3690 -20.3690 -20.3671 -20.3671 -19.4612 -19.4612 -19.4498 -19.4498 -19.3123 -19.3123 -19.3078 -19.3078 -19.2102 -19.2102 -19.2051 -19.2051 -11.4016 -11.4016 -11.4015 -11.4015 -3.6378 -3.6378 -3.6369 -3.6369 -3.0305 -3.0305 -3.0220 -3.0220 -2.1483 -2.1483 -2.1381 -2.1381 2.2313 2.2313 2.2391 2.2391 2.4594 2.4594 2.4702 2.4702 9.0415 9.0415 9.0511 9.0511 11.4248 11.4253 k = 0.5000 0.0434 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3677 -20.3677 -20.3659 -20.3659 -19.4616 -19.4616 -19.4502 -19.4502 -19.3125 -19.3125 -19.3079 -19.3079 -19.2112 -19.2112 -19.2062 -19.2062 -11.4021 -11.4021 -11.4020 -11.4020 -3.6375 -3.6375 -3.6366 -3.6366 -3.0261 -3.0261 -3.0176 -3.0176 -2.1516 -2.1516 -2.1414 -2.1414 2.2312 2.2312 2.2388 2.2388 2.4617 2.4617 2.4723 2.4723 9.0330 9.0330 9.0424 9.0424 11.4446 11.4451 k = 0.5000 0.0543 0.3111 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3661 -20.3661 -20.3643 -20.3643 -19.4619 -19.4619 -19.4505 -19.4505 -19.3127 -19.3127 -19.3081 -19.3081 -19.2125 -19.2125 -19.2075 -19.2075 -11.4027 -11.4027 -11.4026 -11.4026 -3.6372 -3.6372 -3.6363 -3.6363 -3.0205 -3.0205 -3.0121 -3.0121 -2.1557 -2.1557 -2.1456 -2.1456 2.2310 2.2310 2.2384 2.2384 2.4647 2.4647 2.4751 2.4751 9.0223 9.0223 9.0315 9.0315 11.4697 11.4705 k = 0.5000 0.0651 0.3111 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3642 -20.3642 -20.3624 -20.3624 -19.4624 -19.4624 -19.4510 -19.4510 -19.3130 -19.3130 -19.3084 -19.3084 -19.2141 -19.2141 -19.2092 -19.2092 -11.4034 -11.4034 -11.4033 -11.4033 -3.6366 -3.6366 -3.6358 -3.6358 -3.0139 -3.0139 -3.0055 -3.0055 -2.1608 -2.1608 -2.1507 -2.1507 2.2306 2.2306 2.2377 2.2377 2.4685 2.4685 2.4786 2.4786 9.0096 9.0096 9.0186 9.0186 11.4999 11.5003 k = 0.5000 0.0760 0.3111 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3620 -20.3620 -20.3602 -20.3602 -19.4629 -19.4629 -19.4516 -19.4516 -19.3134 -19.3134 -19.3087 -19.3087 -19.2159 -19.2159 -19.2110 -19.2110 -11.4042 -11.4042 -11.4042 -11.4042 -3.6360 -3.6360 -3.6351 -3.6351 -3.0061 -3.0061 -2.9977 -2.9977 -2.1668 -2.1668 -2.1567 -2.1567 2.2300 2.2300 2.2369 2.2369 2.4730 2.4730 2.4828 2.4828 8.9952 8.9952 9.0040 9.0040 11.5349 11.5359 k = 0.5000 0.0868 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3594 -20.3594 -20.3576 -20.3576 -19.4636 -19.4636 -19.4522 -19.4522 -19.3138 -19.3138 -19.3090 -19.3090 -19.2179 -19.2179 -19.2131 -19.2131 -11.4052 -11.4052 -11.4051 -11.4051 -3.6351 -3.6351 -3.6343 -3.6343 -2.9974 -2.9974 -2.9890 -2.9890 -2.1736 -2.1736 -2.1636 -2.1636 2.2292 2.2292 2.2357 2.2357 2.4784 2.4784 2.4878 2.4878 8.9792 8.9792 8.9878 8.9878 11.5749 11.5780 k = 0.5000 0.0977 0.3111 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3565 -20.3565 -20.3547 -20.3547 -19.4643 -19.4643 -19.4530 -19.4530 -19.3143 -19.3143 -19.3094 -19.3094 -19.2201 -19.2201 -19.2155 -19.2155 -11.4063 -11.4063 -11.4062 -11.4062 -3.6340 -3.6340 -3.6333 -3.6333 -2.9878 -2.9878 -2.9794 -2.9794 -2.1812 -2.1812 -2.1713 -2.1713 2.2280 2.2280 2.2342 2.2342 2.4845 2.4845 2.4936 2.4936 8.9620 8.9620 8.9703 8.9703 11.6184 11.6219 k = 0.5000 0.1085 0.3111 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3534 -20.3534 -20.3516 -20.3516 -19.4651 -19.4651 -19.4538 -19.4538 -19.3148 -19.3148 -19.3098 -19.3098 -19.2225 -19.2225 -19.2180 -19.2180 -11.4074 -11.4074 -11.4073 -11.4073 -3.6327 -3.6327 -3.6320 -3.6320 -2.9773 -2.9773 -2.9690 -2.9690 -2.1897 -2.1897 -2.1798 -2.1798 2.2266 2.2266 2.2324 2.2324 2.4916 2.4916 2.5001 2.5001 8.9438 8.9438 8.9518 8.9518 11.6662 11.6681 k = 0.5000 0.1194 0.3111 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3499 -20.3499 -20.3482 -20.3482 -19.4660 -19.4660 -19.4548 -19.4548 -19.3154 -19.3154 -19.3103 -19.3103 -19.2251 -19.2251 -19.2207 -19.2207 -11.4087 -11.4087 -11.4086 -11.4086 -3.6312 -3.6312 -3.6305 -3.6305 -2.9660 -2.9660 -2.9577 -2.9577 -2.1989 -2.1989 -2.1890 -2.1890 2.2247 2.2247 2.2302 2.2302 2.4994 2.4994 2.5075 2.5075 8.9247 8.9247 8.9325 8.9325 11.7174 11.7192 k = 0.5000 0.1302 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3463 -20.3463 -20.3445 -20.3445 -19.4669 -19.4669 -19.4558 -19.4558 -19.3160 -19.3160 -19.3109 -19.3109 -19.2278 -19.2278 -19.2236 -19.2236 -11.4100 -11.4100 -11.4099 -11.4099 -3.6294 -3.6294 -3.6287 -3.6287 -2.9541 -2.9541 -2.9458 -2.9458 -2.2088 -2.2088 -2.1990 -2.1990 2.2225 2.2225 2.2275 2.2275 2.5080 2.5080 2.5157 2.5157 8.9051 8.9051 8.9126 8.9126 11.7720 11.7730 k = 0.5000 0.1411 0.3111 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3424 -20.3424 -20.3406 -20.3406 -19.4680 -19.4680 -19.4570 -19.4570 -19.3168 -19.3168 -19.3115 -19.3115 -19.2306 -19.2306 -19.2266 -19.2266 -11.4114 -11.4114 -11.4113 -11.4113 -3.6272 -3.6272 -3.6266 -3.6266 -2.9416 -2.9416 -2.9333 -2.9333 -2.2194 -2.2194 -2.2096 -2.2096 2.2199 2.2199 2.2245 2.2245 2.5174 2.5174 2.5246 2.5246 8.8851 8.8851 8.8923 8.8923 11.8297 11.8310 k = 0.5000 0.1519 0.3111 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3382 -20.3382 -20.3365 -20.3365 -19.4691 -19.4691 -19.4582 -19.4582 -19.3176 -19.3176 -19.3122 -19.3122 -19.2335 -19.2335 -19.2297 -19.2297 -11.4128 -11.4128 -11.4128 -11.4128 -3.6248 -3.6248 -3.6242 -3.6242 -2.9285 -2.9285 -2.9203 -2.9203 -2.2306 -2.2306 -2.2209 -2.2209 2.2169 2.2169 2.2211 2.2211 2.5276 2.5276 2.5342 2.5342 8.8650 8.8650 8.8718 8.8718 11.8897 11.8915 k = 0.5000 0.1628 0.3111 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3340 -20.3340 -20.3323 -20.3323 -19.4704 -19.4704 -19.4596 -19.4596 -19.3185 -19.3185 -19.3130 -19.3130 -19.2365 -19.2365 -19.2328 -19.2328 -11.4143 -11.4143 -11.4143 -11.4143 -3.6221 -3.6221 -3.6215 -3.6215 -2.9151 -2.9151 -2.9069 -2.9069 -2.2424 -2.2424 -2.2328 -2.2328 2.2135 2.2135 2.2174 2.2174 2.5383 2.5383 2.5445 2.5445 8.8449 8.8449 8.8514 8.8514 11.9514 11.9528 k = 0.5000 0.1736 0.3111 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3295 -20.3295 -20.3279 -20.3279 -19.4717 -19.4717 -19.4610 -19.4610 -19.3194 -19.3194 -19.3138 -19.3138 -19.2394 -19.2394 -19.2360 -19.2360 -11.4159 -11.4159 -11.4158 -11.4158 -3.6191 -3.6191 -3.6185 -3.6185 -2.9013 -2.9013 -2.8931 -2.8931 -2.2547 -2.2547 -2.2452 -2.2452 2.2099 2.2099 2.2134 2.2134 2.5496 2.5496 2.5554 2.5554 8.8249 8.8249 8.8312 8.8312 12.0137 12.0151 k = 0.5000 0.1845 0.3111 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3249 -20.3249 -20.3233 -20.3233 -19.4730 -19.4730 -19.4625 -19.4625 -19.3204 -19.3204 -19.3147 -19.3147 -19.2423 -19.2423 -19.2391 -19.2391 -11.4174 -11.4174 -11.4174 -11.4174 -3.6158 -3.6158 -3.6152 -3.6152 -2.8872 -2.8872 -2.8791 -2.8791 -2.2675 -2.2675 -2.2581 -2.2581 2.2059 2.2059 2.2091 2.2091 2.5614 2.5614 2.5667 2.5667 8.8053 8.8053 8.8113 8.8113 12.0755 12.0762 k = 0.5000 0.1954 0.3111 ( 5088 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.3202 -20.3202 -20.3187 -20.3187 -19.4744 -19.4744 -19.4641 -19.4641 -19.3214 -19.3214 -19.3156 -19.3156 -19.2452 -19.2452 -19.2423 -19.2423 -11.4190 -11.4190 -11.4190 -11.4190 -3.6122 -3.6122 -3.6116 -3.6116 -2.8729 -2.8729 -2.8649 -2.8649 -2.2808 -2.2808 -2.2714 -2.2714 2.2017 2.2017 2.2046 2.2046 2.5736 2.5736 2.5785 2.5785 8.7862 8.7862 8.7918 8.7918 12.1313 12.1321 k = 0.5000 0.2062 0.3111 ( 5092 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.3155 -20.3155 -20.3139 -20.3139 -19.4759 -19.4759 -19.4658 -19.4658 -19.3225 -19.3225 -19.3167 -19.3167 -19.2480 -19.2480 -19.2454 -19.2454 -11.4206 -11.4206 -11.4206 -11.4206 -3.6083 -3.6083 -3.6078 -3.6078 -2.8586 -2.8586 -2.8505 -2.8505 -2.2944 -2.2944 -2.2851 -2.2851 2.1974 2.1974 2.1999 2.1999 2.5860 2.5860 2.5905 2.5905 8.7676 8.7676 8.7730 8.7730 12.1671 12.1680 k = 0.5000 0.2171 0.3111 ( 5084 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.3107 -20.3107 -20.3092 -20.3092 -19.4774 -19.4774 -19.4676 -19.4676 -19.3236 -19.3236 -19.3178 -19.3178 -19.2507 -19.2507 -19.2483 -19.2483 -11.4222 -11.4222 -11.4222 -11.4222 -3.6042 -3.6042 -3.6037 -3.6037 -2.8441 -2.8441 -2.8361 -2.8361 -2.3082 -2.3082 -2.2991 -2.2991 2.1928 2.1928 2.1951 2.1951 2.5987 2.5987 2.6028 2.6028 8.7498 8.7498 8.7548 8.7548 12.1736 12.1758 k = 0.5000 0.2279 0.3111 ( 5084 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.3059 -20.3059 -20.3045 -20.3045 -19.4789 -19.4789 -19.4695 -19.4695 -19.3248 -19.3248 -19.3190 -19.3190 -19.2533 -19.2533 -19.2512 -19.2512 -11.4238 -11.4238 -11.4237 -11.4237 -3.5999 -3.5999 -3.5995 -3.5995 -2.8297 -2.8297 -2.8217 -2.8217 -2.3223 -2.3223 -2.3133 -2.3133 2.1882 2.1882 2.1902 2.1902 2.6113 2.6113 2.6151 2.6151 8.7327 8.7327 8.7374 8.7374 12.1639 12.1654 k = 0.5000 0.2388 0.3111 ( 5084 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.3011 -20.3011 -20.2997 -20.2997 -19.4805 -19.4805 -19.4714 -19.4714 -19.3260 -19.3260 -19.3202 -19.3202 -19.2558 -19.2558 -19.2539 -19.2539 -11.4253 -11.4253 -11.4253 -11.4253 -3.5955 -3.5955 -3.5951 -3.5951 -2.8154 -2.8154 -2.8075 -2.8075 -2.3366 -2.3366 -2.3277 -2.3277 2.1836 2.1836 2.1854 2.1854 2.6240 2.6240 2.6274 2.6274 8.7165 8.7165 8.7209 8.7209 12.1481 12.1489 k = 0.5000 0.2496 0.3111 ( 5088 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2965 -20.2965 -20.2951 -20.2951 -19.4821 -19.4821 -19.4734 -19.4734 -19.3273 -19.3273 -19.3216 -19.3216 -19.2581 -19.2581 -19.2564 -19.2564 -11.4268 -11.4268 -11.4268 -11.4268 -3.5909 -3.5909 -3.5905 -3.5905 -2.8012 -2.8012 -2.7933 -2.7933 -2.3509 -2.3509 -2.3421 -2.3421 2.1789 2.1789 2.1805 2.1805 2.6364 2.6364 2.6395 2.6395 8.7011 8.7011 8.7053 8.7053 12.1289 12.1294 k = 0.5000 0.2605 0.3111 ( 5088 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2919 -20.2919 -20.2906 -20.2906 -19.4838 -19.4838 -19.4754 -19.4754 -19.3285 -19.3285 -19.3229 -19.3229 -19.2602 -19.2602 -19.2588 -19.2588 -11.4282 -11.4282 -11.4282 -11.4282 -3.5863 -3.5863 -3.5859 -3.5859 -2.7872 -2.7872 -2.7794 -2.7794 -2.3652 -2.3652 -2.3566 -2.3566 2.1744 2.1744 2.1758 2.1758 2.6486 2.6486 2.6514 2.6514 8.6868 8.6868 8.6906 8.6906 12.1085 12.1091 k = 0.5000 0.2713 0.3111 ( 5092 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2874 -20.2874 -20.2862 -20.2862 -19.4853 -19.4853 -19.4775 -19.4775 -19.3298 -19.3298 -19.3243 -19.3243 -19.2622 -19.2622 -19.2610 -19.2610 -11.4296 -11.4296 -11.4296 -11.4296 -3.5817 -3.5817 -3.5813 -3.5813 -2.7735 -2.7735 -2.7658 -2.7658 -2.3795 -2.3795 -2.3709 -2.3709 2.1699 2.1699 2.1711 2.1711 2.6604 2.6604 2.6629 2.6629 8.6734 8.6734 8.6770 8.6770 12.0859 12.0893 k = 0.5000 0.2822 0.3111 ( 5096 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2831 -20.2831 -20.2820 -20.2820 -19.4869 -19.4869 -19.4795 -19.4795 -19.3309 -19.3309 -19.3257 -19.3257 -19.2640 -19.2640 -19.2630 -19.2630 -11.4309 -11.4309 -11.4309 -11.4309 -3.5771 -3.5771 -3.5768 -3.5768 -2.7601 -2.7601 -2.7525 -2.7525 -2.3935 -2.3935 -2.3852 -2.3852 2.1656 2.1656 2.1667 2.1667 2.6717 2.6717 2.6740 2.6740 8.6611 8.6611 8.6644 8.6644 12.0637 12.0664 k = 0.5000 0.2930 0.3111 ( 5100 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2791 -20.2791 -20.2780 -20.2780 -19.4884 -19.4884 -19.4816 -19.4816 -19.3321 -19.3321 -19.3271 -19.3271 -19.2656 -19.2656 -19.2648 -19.2648 -11.4321 -11.4321 -11.4321 -11.4321 -3.5727 -3.5727 -3.5724 -3.5724 -2.7471 -2.7471 -2.7396 -2.7396 -2.4073 -2.4073 -2.3991 -2.3991 2.1616 2.1616 2.1625 2.1625 2.6825 2.6825 2.6845 2.6845 8.6498 8.6498 8.6528 8.6528 12.0410 12.0420 k = 0.5000 0.3039 0.3111 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2753 -20.2753 -20.2743 -20.2743 -19.4898 -19.4898 -19.4836 -19.4836 -19.3331 -19.3331 -19.3285 -19.3285 -19.2670 -19.2670 -19.2664 -19.2664 -11.4333 -11.4333 -11.4333 -11.4333 -3.5684 -3.5684 -3.5682 -3.5682 -2.7344 -2.7344 -2.7272 -2.7272 -2.4206 -2.4206 -2.4128 -2.4128 2.1577 2.1577 2.1585 2.1585 2.6925 2.6925 2.6943 2.6943 8.6396 8.6396 8.6423 8.6423 12.0185 12.0189 k = 0.5000 0.3147 0.3111 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2718 -20.2718 -20.2709 -20.2709 -19.4911 -19.4911 -19.4855 -19.4855 -19.3341 -19.3341 -19.3299 -19.3299 -19.2683 -19.2683 -19.2678 -19.2678 -11.4343 -11.4343 -11.4343 -11.4343 -3.5644 -3.5644 -3.5642 -3.5642 -2.7223 -2.7223 -2.7153 -2.7153 -2.4335 -2.4335 -2.4259 -2.4259 2.1542 2.1542 2.1549 2.1549 2.7018 2.7018 2.7033 2.7033 8.6305 8.6305 8.6329 8.6329 11.9972 11.9984 k = 0.5000 0.3256 0.3111 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2686 -20.2686 -20.2678 -20.2678 -19.4923 -19.4923 -19.4873 -19.4873 -19.3349 -19.3349 -19.3311 -19.3311 -19.2694 -19.2694 -19.2690 -19.2690 -11.4353 -11.4353 -11.4353 -11.4353 -3.5606 -3.5606 -3.5604 -3.5604 -2.7108 -2.7108 -2.7041 -2.7041 -2.4456 -2.4456 -2.4385 -2.4385 2.1510 2.1510 2.1516 2.1516 2.7102 2.7102 2.7115 2.7115 8.6225 8.6225 8.6246 8.6246 11.9775 11.9783 k = 0.5000 0.3364 0.3111 ( 5100 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2657 -20.2657 -20.2651 -20.2651 -19.4933 -19.4933 -19.4889 -19.4889 -19.3356 -19.3356 -19.3323 -19.3323 -19.2703 -19.2703 -19.2700 -19.2700 -11.4361 -11.4361 -11.4361 -11.4361 -3.5573 -3.5573 -3.5571 -3.5571 -2.7000 -2.7000 -2.6937 -2.6937 -2.4569 -2.4569 -2.4503 -2.4503 2.1482 2.1482 2.1487 2.1487 2.7176 2.7176 2.7187 2.7187 8.6156 8.6156 8.6174 8.6174 11.9603 11.9608 k = 0.5000 0.3473 0.3111 ( 5100 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2633 -20.2633 -20.2627 -20.2627 -19.4941 -19.4941 -19.4904 -19.4904 -19.3362 -19.3362 -19.3333 -19.3333 -19.2711 -19.2711 -19.2708 -19.2708 -11.4368 -11.4368 -11.4368 -11.4368 -3.5543 -3.5543 -3.5541 -3.5541 -2.6900 -2.6900 -2.6843 -2.6843 -2.4672 -2.4672 -2.4612 -2.4612 2.1457 2.1457 2.1461 2.1461 2.7241 2.7241 2.7250 2.7250 8.6098 8.6098 8.6113 8.6113 11.9445 11.9452 k = 0.5000 0.3581 0.3111 ( 5116 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2612 -20.2612 -20.2607 -20.2607 -19.4948 -19.4948 -19.4918 -19.4918 -19.3367 -19.3367 -19.3343 -19.3343 -19.2717 -19.2717 -19.2716 -19.2716 -11.4374 -11.4374 -11.4374 -11.4374 -3.5518 -3.5518 -3.5517 -3.5517 -2.6811 -2.6811 -2.6762 -2.6762 -2.4761 -2.4761 -2.4709 -2.4709 2.1437 2.1437 2.1440 2.1440 2.7294 2.7294 2.7301 2.7301 8.6051 8.6051 8.6063 8.6063 11.9304 11.9311 k = 0.5000 0.3690 0.3111 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2596 -20.2596 -20.2592 -20.2592 -19.4953 -19.4953 -19.4930 -19.4930 -19.3370 -19.3370 -19.3352 -19.3352 -19.2722 -19.2722 -19.2721 -19.2721 -11.4379 -11.4379 -11.4379 -11.4379 -3.5498 -3.5498 -3.5497 -3.5497 -2.6735 -2.6735 -2.6695 -2.6695 -2.4834 -2.4834 -2.4792 -2.4792 2.1421 2.1421 2.1423 2.1423 2.7336 2.7336 2.7342 2.7342 8.6015 8.6015 8.6024 8.6024 11.9198 11.9207 k = 0.5000 0.3799 0.3111 ( 5128 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2583 -20.2583 -20.2581 -20.2581 -19.4955 -19.4955 -19.4940 -19.4940 -19.3371 -19.3371 -19.3359 -19.3359 -19.2726 -19.2726 -19.2725 -19.2725 -11.4382 -11.4382 -11.4382 -11.4382 -3.5484 -3.5484 -3.5483 -3.5483 -2.6675 -2.6675 -2.6647 -2.6647 -2.4887 -2.4887 -2.4857 -2.4857 2.1409 2.1409 2.1411 2.1411 2.7367 2.7367 2.7371 2.7371 8.5989 8.5989 8.5995 8.5995 11.9121 11.9127 k = 0.5000 0.3907 0.3111 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2576 -20.2576 -20.2575 -20.2575 -19.4954 -19.4954 -19.4947 -19.4947 -19.3370 -19.3370 -19.3364 -19.3364 -19.2727 -19.2727 -19.2727 -19.2727 -11.4384 -11.4384 -11.4384 -11.4384 -3.5475 -3.5475 -3.5474 -3.5474 -2.6634 -2.6634 -2.6620 -2.6620 -2.4917 -2.4917 -2.4901 -2.4901 2.1403 2.1403 2.1403 2.1403 2.7386 2.7386 2.7388 2.7388 8.5975 8.5975 8.5978 8.5978 11.9075 11.9077 k = 0.5000 0.4016 0.3111 ( 5128 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2573 -20.2573 -20.2573 -20.2573 -19.4952 -19.4952 -19.4952 -19.4952 -19.3368 -19.3368 -19.3368 -19.3368 -19.2728 -19.2728 -19.2728 -19.2728 -11.4385 -11.4385 -11.4385 -11.4385 -3.5472 -3.5472 -3.5472 -3.5472 -2.6616 -2.6616 -2.6616 -2.6616 -2.4922 -2.4922 -2.4922 -2.4922 2.1400 2.1400 2.1400 2.1400 2.7393 2.7393 2.7393 2.7393 8.5971 8.5971 8.5971 8.5971 11.9061 11.9061 k = 0.5000 0.4016 0.3111 ( 5128 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2573 -20.2573 -20.2573 -20.2573 -19.4952 -19.4952 -19.4952 -19.4952 -19.3368 -19.3368 -19.3368 -19.3368 -19.2728 -19.2728 -19.2728 -19.2728 -11.4385 -11.4385 -11.4385 -11.4385 -3.5472 -3.5472 -3.5472 -3.5472 -2.6616 -2.6616 -2.6616 -2.6616 -2.4922 -2.4922 -2.4922 -2.4922 2.1400 2.1400 2.1400 2.1400 2.7393 2.7393 2.7393 2.7393 8.5971 8.5971 8.5971 8.5971 11.9061 11.9061 k = 0.4891 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2575 -20.2575 -20.2575 -20.2575 -19.4951 -19.4951 -19.4951 -19.4951 -19.3367 -19.3367 -19.3367 -19.3367 -19.2727 -19.2727 -19.2727 -19.2727 -11.4386 -11.4386 -11.4386 -11.4386 -3.5471 -3.5471 -3.5471 -3.5471 -2.6609 -2.6609 -2.6609 -2.6609 -2.4923 -2.4923 -2.4923 -2.4923 2.1408 2.1408 2.1408 2.1408 2.7393 2.7393 2.7393 2.7393 8.5967 8.5967 8.5967 8.5967 11.9026 11.9026 k = 0.4783 0.4016 0.3111 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2581 -20.2581 -20.2581 -20.2581 -19.4948 -19.4948 -19.4948 -19.4948 -19.3365 -19.3365 -19.3365 -19.3365 -19.2724 -19.2724 -19.2724 -19.2724 -11.4391 -11.4391 -11.4391 -11.4391 -3.5470 -3.5470 -3.5470 -3.5470 -2.6590 -2.6590 -2.6590 -2.6590 -2.4928 -2.4928 -2.4928 -2.4928 2.1428 2.1428 2.1428 2.1428 2.7391 2.7391 2.7391 2.7391 8.5957 8.5957 8.5957 8.5957 11.8921 11.8921 k = 0.4674 0.4016 0.3111 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2591 -20.2591 -20.2591 -20.2591 -19.4944 -19.4944 -19.4944 -19.4944 -19.3362 -19.3362 -19.3362 -19.3362 -19.2720 -19.2720 -19.2720 -19.2720 -11.4400 -11.4400 -11.4400 -11.4400 -3.5468 -3.5468 -3.5468 -3.5468 -2.6559 -2.6559 -2.6559 -2.6559 -2.4935 -2.4935 -2.4935 -2.4935 2.1462 2.1462 2.1462 2.1462 2.7389 2.7389 2.7389 2.7389 8.5939 8.5939 8.5939 8.5939 11.8749 11.8749 k = 0.4565 0.4016 0.3111 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2605 -20.2605 -20.2605 -20.2605 -19.4939 -19.4939 -19.4939 -19.4939 -19.3357 -19.3357 -19.3357 -19.3357 -19.2714 -19.2714 -19.2714 -19.2714 -11.4412 -11.4412 -11.4412 -11.4412 -3.5465 -3.5465 -3.5465 -3.5465 -2.6516 -2.6516 -2.6516 -2.6516 -2.4946 -2.4946 -2.4946 -2.4946 2.1510 2.1510 2.1510 2.1510 2.7385 2.7385 2.7385 2.7385 8.5915 8.5915 8.5915 8.5915 11.8512 11.8512 k = 0.4457 0.4016 0.3111 ( 5096 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2622 -20.2622 -20.2622 -20.2622 -19.4932 -19.4932 -19.4932 -19.4932 -19.3352 -19.3352 -19.3352 -19.3352 -19.2706 -19.2706 -19.2706 -19.2706 -11.4427 -11.4427 -11.4427 -11.4427 -3.5461 -3.5461 -3.5461 -3.5461 -2.6461 -2.6461 -2.6461 -2.6461 -2.4960 -2.4960 -2.4960 -2.4960 2.1570 2.1570 2.1570 2.1570 2.7380 2.7380 2.7380 2.7380 8.5884 8.5884 8.5884 8.5884 11.8213 11.8213 k = 0.4348 0.4016 0.3111 ( 5108 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2644 -20.2644 -20.2644 -20.2644 -19.4924 -19.4924 -19.4924 -19.4924 -19.3346 -19.3346 -19.3346 -19.3346 -19.2696 -19.2696 -19.2696 -19.2696 -11.4445 -11.4445 -11.4445 -11.4445 -3.5457 -3.5457 -3.5457 -3.5457 -2.6393 -2.6393 -2.6393 -2.6393 -2.4976 -2.4976 -2.4976 -2.4976 2.1644 2.1644 2.1644 2.1644 2.7374 2.7374 2.7374 2.7374 8.5846 8.5846 8.5846 8.5846 11.7859 11.7859 k = 0.4239 0.4016 0.3111 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.2668 -20.2668 -20.2668 -20.2668 -19.4915 -19.4915 -19.4915 -19.4915 -19.3338 -19.3338 -19.3338 -19.3338 -19.2685 -19.2685 -19.2685 -19.2685 -11.4467 -11.4467 -11.4467 -11.4467 -3.5452 -3.5452 -3.5452 -3.5452 -2.6314 -2.6314 -2.6314 -2.6314 -2.4996 -2.4996 -2.4996 -2.4996 2.1730 2.1730 2.1730 2.1730 2.7367 2.7367 2.7367 2.7367 8.5801 8.5801 8.5801 8.5801 11.7452 11.7452 k = 0.4130 0.4016 0.3111 ( 5104 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.2696 -20.2696 -20.2696 -20.2696 -19.4904 -19.4904 -19.4904 -19.4904 -19.3330 -19.3330 -19.3330 -19.3330 -19.2672 -19.2672 -19.2672 -19.2672 -11.4492 -11.4492 -11.4492 -11.4492 -3.5447 -3.5447 -3.5447 -3.5447 -2.6224 -2.6224 -2.6224 -2.6224 -2.5017 -2.5017 -2.5017 -2.5017 2.1828 2.1828 2.1828 2.1828 2.7359 2.7359 2.7359 2.7359 8.5750 8.5750 8.5750 8.5750 11.6998 11.6998 k = 0.4022 0.4016 0.3111 ( 5096 PWs) bands (ev): -47.4300 -47.4300 -47.4300 -47.4300 -20.2728 -20.2728 -20.2728 -20.2728 -19.4892 -19.4892 -19.4892 -19.4892 -19.3320 -19.3320 -19.3320 -19.3320 -19.2657 -19.2657 -19.2657 -19.2657 -11.4519 -11.4519 -11.4519 -11.4519 -3.5441 -3.5441 -3.5441 -3.5441 -2.6122 -2.6122 -2.6122 -2.6122 -2.5042 -2.5042 -2.5042 -2.5042 2.1939 2.1939 2.1939 2.1939 2.7351 2.7351 2.7351 2.7351 8.5692 8.5692 8.5692 8.5692 11.6502 11.6502 k = 0.3913 0.4016 0.3111 ( 5116 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.2762 -20.2762 -20.2762 -20.2762 -19.4880 -19.4880 -19.4880 -19.4880 -19.3311 -19.3311 -19.3311 -19.3311 -19.2641 -19.2641 -19.2641 -19.2641 -11.4550 -11.4550 -11.4550 -11.4550 -3.5435 -3.5435 -3.5435 -3.5435 -2.6010 -2.6010 -2.6010 -2.6010 -2.5068 -2.5068 -2.5068 -2.5068 2.2061 2.2061 2.2061 2.2061 2.7340 2.7340 2.7340 2.7340 8.5628 8.5628 8.5628 8.5628 11.5969 11.5969 k = 0.3804 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4301 -47.4301 -47.4301 -47.4301 -20.2799 -20.2799 -20.2799 -20.2799 -19.4867 -19.4867 -19.4867 -19.4867 -19.3301 -19.3301 -19.3301 -19.3301 -19.2623 -19.2623 -19.2623 -19.2623 -11.4583 -11.4583 -11.4583 -11.4583 -3.5429 -3.5429 -3.5429 -3.5429 -2.5887 -2.5887 -2.5887 -2.5887 -2.5097 -2.5097 -2.5097 -2.5097 2.2194 2.2194 2.2194 2.2194 2.7330 2.7330 2.7330 2.7330 8.5559 8.5559 8.5559 8.5559 11.5404 11.5404 k = 0.3696 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4302 -47.4302 -47.4302 -47.4302 -20.2839 -20.2839 -20.2839 -20.2839 -19.4851 -19.4851 -19.4851 -19.4851 -19.3290 -19.3290 -19.3290 -19.3290 -19.2603 -19.2603 -19.2603 -19.2603 -11.4618 -11.4618 -11.4618 -11.4618 -3.5423 -3.5423 -3.5423 -3.5423 -2.5755 -2.5755 -2.5755 -2.5755 -2.5127 -2.5127 -2.5127 -2.5127 2.2338 2.2338 2.2338 2.2338 2.7318 2.7318 2.7318 2.7318 8.5483 8.5483 8.5483 8.5483 11.4812 11.4812 k = 0.3587 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4302 -47.4302 -47.4302 -47.4302 -20.2881 -20.2881 -20.2881 -20.2881 -19.4836 -19.4836 -19.4836 -19.4836 -19.3279 -19.3279 -19.3279 -19.3279 -19.2582 -19.2582 -19.2582 -19.2582 -11.4656 -11.4656 -11.4656 -11.4656 -3.5416 -3.5416 -3.5416 -3.5416 -2.5617 -2.5617 -2.5617 -2.5617 -2.5156 -2.5156 -2.5156 -2.5156 2.2492 2.2492 2.2492 2.2492 2.7306 2.7306 2.7306 2.7306 8.5402 8.5402 8.5402 8.5402 11.4195 11.4195 k = 0.3478 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4303 -47.4303 -47.4303 -47.4303 -20.2925 -20.2925 -20.2925 -20.2925 -19.4820 -19.4820 -19.4820 -19.4820 -19.3267 -19.3267 -19.3267 -19.3267 -19.2559 -19.2559 -19.2559 -19.2559 -11.4696 -11.4696 -11.4696 -11.4696 -3.5410 -3.5410 -3.5410 -3.5410 -2.5476 -2.5476 -2.5476 -2.5476 -2.5179 -2.5179 -2.5179 -2.5179 2.2655 2.2655 2.2655 2.2655 2.7293 2.7293 2.7293 2.7293 8.5315 8.5315 8.5315 8.5315 11.3560 11.3560 k = 0.3370 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4304 -47.4304 -47.4304 -47.4304 -20.2971 -20.2971 -20.2971 -20.2971 -19.4804 -19.4804 -19.4804 -19.4804 -19.3256 -19.3256 -19.3256 -19.3256 -19.2535 -19.2535 -19.2535 -19.2535 -11.4738 -11.4738 -11.4738 -11.4738 -3.5403 -3.5403 -3.5403 -3.5403 -2.5361 -2.5361 -2.5361 -2.5361 -2.5170 -2.5170 -2.5170 -2.5170 2.2828 2.2828 2.2828 2.2828 2.7280 2.7280 2.7280 2.7280 8.5223 8.5223 8.5223 8.5223 11.2908 11.2908 k = 0.3261 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4304 -47.4304 -47.4304 -47.4304 -20.3018 -20.3018 -20.3018 -20.3018 -19.4786 -19.4786 -19.4786 -19.4786 -19.3244 -19.3244 -19.3244 -19.3244 -19.2510 -19.2510 -19.2510 -19.2510 -11.4781 -11.4781 -11.4781 -11.4781 -3.5397 -3.5397 -3.5397 -3.5397 -2.5331 -2.5331 -2.5331 -2.5331 -2.5069 -2.5069 -2.5069 -2.5069 2.3008 2.3008 2.3008 2.3008 2.7265 2.7265 2.7265 2.7265 8.5127 8.5127 8.5127 8.5127 11.2244 11.2244 k = 0.3152 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4305 -47.4305 -47.4305 -47.4305 -20.3067 -20.3067 -20.3067 -20.3067 -19.4769 -19.4769 -19.4769 -19.4769 -19.3232 -19.3232 -19.3232 -19.3232 -19.2483 -19.2483 -19.2483 -19.2483 -11.4826 -11.4826 -11.4826 -11.4826 -3.5391 -3.5391 -3.5391 -3.5391 -2.5354 -2.5354 -2.5354 -2.5354 -2.4910 -2.4910 -2.4910 -2.4910 2.3196 2.3196 2.3196 2.3196 2.7251 2.7251 2.7251 2.7251 8.5027 8.5027 8.5027 8.5027 11.1570 11.1570 k = 0.3043 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4306 -47.4306 -47.4306 -47.4306 -20.3117 -20.3117 -20.3117 -20.3117 -19.4751 -19.4751 -19.4751 -19.4751 -19.3220 -19.3220 -19.3220 -19.3220 -19.2456 -19.2456 -19.2456 -19.2456 -11.4873 -11.4873 -11.4873 -11.4873 -3.5385 -3.5385 -3.5385 -3.5385 -2.5390 -2.5390 -2.5390 -2.5390 -2.4732 -2.4732 -2.4732 -2.4732 2.3391 2.3391 2.3391 2.3391 2.7236 2.7236 2.7236 2.7236 8.4922 8.4922 8.4922 8.4922 11.0891 11.0891 k = 0.2935 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4306 -47.4306 -47.4306 -47.4306 -20.3168 -20.3168 -20.3168 -20.3168 -19.4733 -19.4733 -19.4733 -19.4733 -19.3207 -19.3207 -19.3207 -19.3207 -19.2427 -19.2427 -19.2427 -19.2427 -11.4920 -11.4920 -11.4920 -11.4920 -3.5380 -3.5380 -3.5380 -3.5380 -2.5430 -2.5430 -2.5430 -2.5430 -2.4544 -2.4544 -2.4544 -2.4544 2.3592 2.3592 2.3592 2.3592 2.7220 2.7220 2.7220 2.7220 8.4814 8.4814 8.4814 8.4814 11.0208 11.0208 k = 0.2826 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4307 -47.4307 -47.4307 -47.4307 -20.3219 -20.3219 -20.3219 -20.3219 -19.4715 -19.4715 -19.4715 -19.4715 -19.3195 -19.3195 -19.3195 -19.3195 -19.2398 -19.2398 -19.2398 -19.2398 -11.4969 -11.4969 -11.4969 -11.4969 -3.5374 -3.5374 -3.5374 -3.5374 -2.5473 -2.5473 -2.5473 -2.5473 -2.4350 -2.4350 -2.4350 -2.4350 2.3797 2.3797 2.3797 2.3797 2.7205 2.7205 2.7205 2.7205 8.4703 8.4703 8.4703 8.4703 10.9524 10.9524 k = 0.2717 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4308 -47.4308 -47.4308 -47.4308 -20.3271 -20.3271 -20.3271 -20.3271 -19.4697 -19.4697 -19.4697 -19.4697 -19.3183 -19.3183 -19.3183 -19.3183 -19.2369 -19.2369 -19.2369 -19.2369 -11.5018 -11.5018 -11.5018 -11.5018 -3.5370 -3.5370 -3.5370 -3.5370 -2.5517 -2.5517 -2.5517 -2.5517 -2.4150 -2.4150 -2.4150 -2.4150 2.4006 2.4006 2.4006 2.4006 2.7189 2.7189 2.7189 2.7189 8.4588 8.4588 8.4588 8.4588 10.8843 10.8843 k = 0.2609 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4308 -47.4308 -47.4308 -47.4308 -20.3322 -20.3322 -20.3322 -20.3322 -19.4679 -19.4679 -19.4679 -19.4679 -19.3171 -19.3171 -19.3171 -19.3171 -19.2339 -19.2339 -19.2339 -19.2339 -11.5068 -11.5068 -11.5068 -11.5068 -3.5365 -3.5365 -3.5365 -3.5365 -2.5562 -2.5562 -2.5562 -2.5562 -2.3946 -2.3946 -2.3946 -2.3946 2.4219 2.4219 2.4219 2.4219 2.7173 2.7173 2.7173 2.7173 8.4472 8.4472 8.4472 8.4472 10.8165 10.8165 k = 0.2500 0.4016 0.3111 ( 5108 PWs) bands (ev): -47.4309 -47.4309 -47.4309 -47.4309 -20.3374 -20.3374 -20.3374 -20.3374 -19.4662 -19.4662 -19.4662 -19.4662 -19.3158 -19.3158 -19.3158 -19.3158 -19.2309 -19.2309 -19.2309 -19.2309 -11.5117 -11.5117 -11.5117 -11.5117 -3.5361 -3.5361 -3.5361 -3.5361 -2.5607 -2.5607 -2.5607 -2.5607 -2.3740 -2.3740 -2.3740 -2.3740 2.4434 2.4434 2.4434 2.4434 2.7156 2.7156 2.7156 2.7156 8.4354 8.4354 8.4354 8.4354 10.7495 10.7495 k = 0.2391 0.4016 0.3111 ( 5100 PWs) bands (ev): -47.4310 -47.4310 -47.4310 -47.4310 -20.3425 -20.3425 -20.3425 -20.3425 -19.4644 -19.4644 -19.4644 -19.4644 -19.3146 -19.3146 -19.3146 -19.3146 -19.2278 -19.2278 -19.2278 -19.2278 -11.5167 -11.5167 -11.5167 -11.5167 -3.5357 -3.5357 -3.5357 -3.5357 -2.5653 -2.5653 -2.5653 -2.5653 -2.3531 -2.3531 -2.3531 -2.3531 2.4650 2.4650 2.4650 2.4650 2.7140 2.7140 2.7140 2.7140 8.4235 8.4235 8.4235 8.4235 10.6834 10.6834 k = 0.2283 0.4016 0.3111 ( 5108 PWs) bands (ev): -47.4311 -47.4311 -47.4311 -47.4311 -20.3475 -20.3475 -20.3475 -20.3475 -19.4628 -19.4628 -19.4628 -19.4628 -19.3135 -19.3135 -19.3135 -19.3135 -19.2249 -19.2249 -19.2249 -19.2249 -11.5217 -11.5217 -11.5217 -11.5217 -3.5354 -3.5354 -3.5354 -3.5354 -2.5698 -2.5698 -2.5698 -2.5698 -2.3322 -2.3322 -2.3322 -2.3322 2.4865 2.4865 2.4865 2.4865 2.7124 2.7124 2.7124 2.7124 8.4116 8.4116 8.4116 8.4116 10.6183 10.6183 k = 0.2174 0.4016 0.3111 ( 5108 PWs) bands (ev): -47.4311 -47.4311 -47.4311 -47.4311 -20.3525 -20.3525 -20.3525 -20.3525 -19.4611 -19.4611 -19.4611 -19.4611 -19.3123 -19.3123 -19.3123 -19.3123 -19.2219 -19.2219 -19.2219 -19.2219 -11.5266 -11.5266 -11.5266 -11.5266 -3.5351 -3.5351 -3.5351 -3.5351 -2.5743 -2.5743 -2.5743 -2.5743 -2.3113 -2.3113 -2.3113 -2.3113 2.5080 2.5080 2.5080 2.5080 2.7109 2.7109 2.7109 2.7109 8.3996 8.3996 8.3996 8.3996 10.5547 10.5547 k = 0.2065 0.4016 0.3111 ( 5100 PWs) bands (ev): -47.4312 -47.4312 -47.4312 -47.4312 -20.3573 -20.3573 -20.3573 -20.3573 -19.4595 -19.4595 -19.4595 -19.4595 -19.3112 -19.3112 -19.3112 -19.3112 -19.2189 -19.2189 -19.2189 -19.2189 -11.5314 -11.5314 -11.5314 -11.5314 -3.5349 -3.5349 -3.5349 -3.5349 -2.5788 -2.5788 -2.5788 -2.5788 -2.2905 -2.2905 -2.2905 -2.2905 2.5293 2.5293 2.5293 2.5293 2.7093 2.7093 2.7093 2.7093 8.3877 8.3877 8.3877 8.3877 10.4926 10.4926 k = 0.1957 0.4016 0.3111 ( 5088 PWs) bands (ev): -47.4313 -47.4313 -47.4313 -47.4313 -20.3620 -20.3620 -20.3620 -20.3620 -19.4579 -19.4579 -19.4579 -19.4579 -19.3101 -19.3101 -19.3101 -19.3101 -19.2160 -19.2160 -19.2160 -19.2160 -11.5361 -11.5361 -11.5361 -11.5361 -3.5347 -3.5347 -3.5347 -3.5347 -2.5832 -2.5832 -2.5832 -2.5832 -2.2700 -2.2700 -2.2700 -2.2700 2.5503 2.5503 2.5503 2.5503 2.7079 2.7079 2.7079 2.7079 8.3758 8.3758 8.3758 8.3758 10.4323 10.4323 k = 0.1848 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4314 -47.4314 -47.4314 -47.4314 -20.3666 -20.3666 -20.3666 -20.3666 -19.4566 -19.4566 -19.4566 -19.4566 -19.3091 -19.3091 -19.3091 -19.3091 -19.2133 -19.2133 -19.2133 -19.2133 -11.5407 -11.5407 -11.5407 -11.5407 -3.5345 -3.5345 -3.5345 -3.5345 -2.5875 -2.5875 -2.5875 -2.5875 -2.2498 -2.2498 -2.2498 -2.2498 2.5708 2.5708 2.5708 2.5708 2.7065 2.7065 2.7065 2.7065 8.3642 8.3642 8.3642 8.3642 10.3739 10.3739 k = 0.1739 0.4016 0.3111 ( 5112 PWs) bands (ev): -47.4314 -47.4314 -47.4314 -47.4314 -20.3710 -20.3710 -20.3710 -20.3710 -19.4552 -19.4552 -19.4552 -19.4552 -19.3080 -19.3080 -19.3080 -19.3080 -19.2105 -19.2105 -19.2105 -19.2105 -11.5452 -11.5452 -11.5452 -11.5452 -3.5344 -3.5344 -3.5344 -3.5344 -2.5916 -2.5916 -2.5916 -2.5916 -2.2300 -2.2300 -2.2300 -2.2300 2.5908 2.5908 2.5908 2.5908 2.7052 2.7052 2.7052 2.7052 8.3528 8.3528 8.3528 8.3528 10.3177 10.3177 k = 0.1630 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4315 -47.4315 -47.4315 -47.4315 -20.3753 -20.3753 -20.3753 -20.3753 -19.4538 -19.4538 -19.4538 -19.4538 -19.3070 -19.3070 -19.3070 -19.3070 -19.2080 -19.2080 -19.2080 -19.2080 -11.5495 -11.5495 -11.5495 -11.5495 -3.5343 -3.5343 -3.5343 -3.5343 -2.5957 -2.5957 -2.5957 -2.5957 -2.2108 -2.2108 -2.2108 -2.2108 2.6101 2.6101 2.6101 2.6101 2.7040 2.7040 2.7040 2.7040 8.3417 8.3417 8.3417 8.3417 10.2639 10.2639 k = 0.1522 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3793 -20.3793 -20.3793 -20.3793 -19.4526 -19.4526 -19.4526 -19.4526 -19.3060 -19.3060 -19.3060 -19.3060 -19.2055 -19.2055 -19.2055 -19.2055 -11.5537 -11.5537 -11.5537 -11.5537 -3.5342 -3.5342 -3.5342 -3.5342 -2.5995 -2.5995 -2.5995 -2.5995 -2.1922 -2.1922 -2.1922 -2.1922 2.6286 2.6286 2.6286 2.6286 2.7031 2.7031 2.7031 2.7031 8.3309 8.3309 8.3309 8.3309 10.2125 10.2125 k = 0.1413 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4316 -47.4316 -47.4316 -47.4316 -20.3832 -20.3832 -20.3832 -20.3832 -19.4514 -19.4514 -19.4514 -19.4514 -19.3051 -19.3051 -19.3051 -19.3051 -19.2031 -19.2031 -19.2031 -19.2031 -11.5576 -11.5576 -11.5576 -11.5576 -3.5341 -3.5341 -3.5341 -3.5341 -2.6032 -2.6032 -2.6032 -2.6032 -2.1744 -2.1744 -2.1744 -2.1744 2.6459 2.6459 2.6459 2.6459 2.7025 2.7025 2.7025 2.7025 8.3206 8.3206 8.3206 8.3206 10.1639 10.1639 k = 0.1304 0.4016 0.3111 ( 5136 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3868 -20.3868 -20.3868 -20.3868 -19.4503 -19.4503 -19.4503 -19.4503 -19.3042 -19.3042 -19.3042 -19.3042 -19.2009 -19.2009 -19.2009 -19.2009 -11.5614 -11.5614 -11.5614 -11.5614 -3.5340 -3.5340 -3.5340 -3.5340 -2.6067 -2.6067 -2.6067 -2.6067 -2.1575 -2.1575 -2.1575 -2.1575 2.6616 2.6616 2.6616 2.6616 2.7027 2.7027 2.7027 2.7027 8.3107 8.3107 8.3107 8.3107 10.1182 10.1182 k = 0.1196 0.4016 0.3111 ( 5132 PWs) bands (ev): -47.4317 -47.4317 -47.4317 -47.4317 -20.3901 -20.3901 -20.3901 -20.3901 -19.4493 -19.4493 -19.4493 -19.4493 -19.3034 -19.3034 -19.3034 -19.3034 -19.1988 -19.1988 -19.1988 -19.1988 -11.5649 -11.5649 -11.5649 -11.5649 -3.5340 -3.5340 -3.5340 -3.5340 -2.6100 -2.6100 -2.6100 -2.6100 -2.1415 -2.1415 -2.1415 -2.1415 2.6748 2.6748 2.6748 2.6748 2.7046 2.7046 2.7046 2.7046 8.3014 8.3014 8.3014 8.3014 10.0755 10.0755 k = 0.1087 0.4016 0.3111 ( 5132 PWs) bands (ev): -47.4318 -47.4318 -47.4318 -47.4318 -20.3932 -20.3932 -20.3932 -20.3932 -19.4484 -19.4484 -19.4484 -19.4484 -19.3026 -19.3026 -19.3026 -19.3026 -19.1969 -19.1969 -19.1969 -19.1969 -11.5681 -11.5681 -11.5681 -11.5681 -3.5340 -3.5340 -3.5340 -3.5340 -2.6130 -2.6130 -2.6130 -2.6130 -2.1266 -2.1266 -2.1266 -2.1266 2.6835 2.6835 2.6835 2.6835 2.7099 2.7099 2.7099 2.7099 8.2927 8.2927 8.2927 8.2927 10.0359 10.0359 k = 0.0978 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4318 -47.4318 -47.4318 -47.4318 -20.3961 -20.3961 -20.3961 -20.3961 -19.4475 -19.4475 -19.4475 -19.4475 -19.3018 -19.3018 -19.3018 -19.3018 -19.1950 -19.1950 -19.1950 -19.1950 -11.5711 -11.5711 -11.5711 -11.5711 -3.5339 -3.5339 -3.5339 -3.5339 -2.6158 -2.6158 -2.6158 -2.6158 -2.1127 -2.1127 -2.1127 -2.1127 2.6875 2.6875 2.6875 2.6875 2.7190 2.7190 2.7190 2.7190 8.2846 8.2846 8.2846 8.2846 9.9997 9.9997 k = 0.0870 0.4016 0.3111 ( 5116 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.3987 -20.3987 -20.3987 -20.3987 -19.4467 -19.4467 -19.4467 -19.4467 -19.3012 -19.3012 -19.3012 -19.3012 -19.1934 -19.1934 -19.1934 -19.1934 -11.5738 -11.5738 -11.5738 -11.5738 -3.5339 -3.5339 -3.5339 -3.5339 -2.6183 -2.6183 -2.6183 -2.6183 -2.1001 -2.1001 -2.1001 -2.1001 2.6887 2.6887 2.6887 2.6887 2.7295 2.7295 2.7295 2.7295 8.2772 8.2772 8.2772 8.2772 9.9669 9.9669 k = 0.0761 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.4010 -20.4010 -20.4010 -20.4010 -19.4461 -19.4461 -19.4461 -19.4461 -19.3006 -19.3006 -19.3006 -19.3006 -19.1920 -19.1920 -19.1920 -19.1920 -11.5762 -11.5762 -11.5762 -11.5762 -3.5339 -3.5339 -3.5339 -3.5339 -2.6206 -2.6206 -2.6206 -2.6206 -2.0889 -2.0889 -2.0889 -2.0889 2.6890 2.6890 2.6890 2.6890 2.7398 2.7398 2.7398 2.7398 8.2706 8.2706 8.2706 8.2706 9.9377 9.9377 k = 0.0652 0.4016 0.3111 ( 5128 PWs) bands (ev): -47.4319 -47.4319 -47.4319 -47.4319 -20.4030 -20.4030 -20.4030 -20.4030 -19.4455 -19.4455 -19.4455 -19.4455 -19.3001 -19.3001 -19.3001 -19.3001 -19.1908 -19.1908 -19.1908 -19.1908 -11.5783 -11.5783 -11.5783 -11.5783 -3.5339 -3.5339 -3.5339 -3.5339 -2.6225 -2.6225 -2.6225 -2.6225 -2.0789 -2.0789 -2.0789 -2.0789 2.6889 2.6889 2.6889 2.6889 2.7492 2.7492 2.7492 2.7492 8.2648 8.2648 8.2648 8.2648 9.9122 9.9122 k = 0.0543 0.4016 0.3111 ( 5132 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4047 -20.4047 -20.4047 -20.4047 -19.4450 -19.4450 -19.4450 -19.4450 -19.2996 -19.2996 -19.2996 -19.2996 -19.1897 -19.1897 -19.1897 -19.1897 -11.5801 -11.5801 -11.5801 -11.5801 -3.5340 -3.5340 -3.5340 -3.5340 -2.6242 -2.6242 -2.6242 -2.6242 -2.0704 -2.0704 -2.0704 -2.0704 2.6886 2.6886 2.6886 2.6886 2.7574 2.7574 2.7574 2.7574 8.2598 8.2598 8.2598 8.2598 9.8904 9.8904 k = 0.0435 0.4016 0.3111 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4061 -20.4061 -20.4061 -20.4061 -19.4446 -19.4446 -19.4446 -19.4446 -19.2992 -19.2992 -19.2992 -19.2992 -19.1888 -19.1888 -19.1888 -19.1888 -11.5816 -11.5816 -11.5816 -11.5816 -3.5340 -3.5340 -3.5340 -3.5340 -2.6256 -2.6256 -2.6256 -2.6256 -2.0633 -2.0633 -2.0633 -2.0633 2.6884 2.6884 2.6884 2.6884 2.7643 2.7643 2.7643 2.7643 8.2556 8.2556 8.2556 8.2556 9.8725 9.8725 k = 0.0326 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4072 -20.4072 -20.4072 -20.4072 -19.4443 -19.4443 -19.4443 -19.4443 -19.2989 -19.2989 -19.2989 -19.2989 -19.1881 -19.1881 -19.1881 -19.1881 -11.5828 -11.5828 -11.5828 -11.5828 -3.5340 -3.5340 -3.5340 -3.5340 -2.6267 -2.6267 -2.6267 -2.6267 -2.0578 -2.0578 -2.0578 -2.0578 2.6881 2.6881 2.6881 2.6881 2.7697 2.7697 2.7697 2.7697 8.2524 8.2524 8.2524 8.2524 9.8585 9.8585 k = 0.0217 0.4016 0.3111 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4080 -20.4080 -20.4080 -20.4080 -19.4440 -19.4440 -19.4440 -19.4440 -19.2987 -19.2987 -19.2987 -19.2987 -19.1876 -19.1876 -19.1876 -19.1876 -11.5836 -11.5836 -11.5836 -11.5836 -3.5340 -3.5340 -3.5340 -3.5340 -2.6275 -2.6275 -2.6275 -2.6275 -2.0538 -2.0538 -2.0538 -2.0538 2.6879 2.6879 2.6879 2.6879 2.7736 2.7736 2.7736 2.7736 8.2500 8.2500 8.2500 8.2500 9.8485 9.8485 k = 0.0109 0.4016 0.3111 ( 5124 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4085 -20.4085 -20.4085 -20.4085 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1873 -19.1873 -19.1873 -19.1873 -11.5842 -11.5842 -11.5842 -11.5842 -3.5340 -3.5340 -3.5340 -3.5340 -2.6280 -2.6280 -2.6280 -2.6280 -2.0514 -2.0514 -2.0514 -2.0514 2.6878 2.6878 2.6878 2.6878 2.7760 2.7760 2.7760 2.7760 8.2486 8.2486 8.2486 8.2486 9.8424 9.8424 k = 0.0000 0.4016 0.3111 ( 5140 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4086 -20.4086 -20.4086 -20.4086 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1872 -19.1872 -19.1872 -19.1872 -11.5843 -11.5843 -11.5843 -11.5843 -3.5340 -3.5340 -3.5340 -3.5340 -2.6282 -2.6282 -2.6282 -2.6282 -2.0506 -2.0506 -2.0506 -2.0506 2.6877 2.6877 2.6877 2.6877 2.7767 2.7767 2.7767 2.7767 8.2481 8.2481 8.2481 8.2481 9.8404 9.8404 k = 0.0000 0.4016 0.3111 ( 5140 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4086 -20.4086 -20.4086 -20.4086 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1872 -19.1872 -19.1872 -19.1872 -11.5843 -11.5843 -11.5843 -11.5843 -3.5340 -3.5340 -3.5340 -3.5340 -2.6282 -2.6282 -2.6282 -2.6282 -2.0506 -2.0506 -2.0506 -2.0506 2.6877 2.6877 2.6877 2.6877 2.7767 2.7767 2.7767 2.7767 8.2481 8.2481 8.2481 8.2481 9.8404 9.8404 k = 0.0000 0.3907 0.3111 ( 5124 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4085 -20.4085 -20.4085 -20.4085 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1874 -19.1874 -19.1874 -19.1874 -11.5840 -11.5840 -11.5840 -11.5840 -3.5350 -3.5350 -3.5350 -3.5350 -2.6271 -2.6271 -2.6271 -2.6271 -2.0506 -2.0506 -2.0506 -2.0506 2.6869 2.6869 2.6869 2.6869 2.7767 2.7767 2.7767 2.7767 8.2468 8.2468 8.2468 8.2468 9.8429 9.8429 k = 0.0000 0.3799 0.3111 ( 5124 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4081 -20.4081 -20.4081 -20.4081 -19.4440 -19.4440 -19.4440 -19.4440 -19.2986 -19.2986 -19.2986 -19.2986 -19.1879 -19.1879 -19.1879 -19.1879 -11.5832 -11.5832 -11.5832 -11.5832 -3.5379 -3.5379 -3.5379 -3.5379 -2.6242 -2.6242 -2.6242 -2.6242 -2.0505 -2.0505 -2.0505 -2.0505 2.6842 2.6842 2.6842 2.6842 2.7767 2.7767 2.7767 2.7767 8.2426 8.2426 8.2426 8.2426 9.8505 9.8505 k = 0.0000 0.3690 0.3111 ( 5124 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4074 -20.4074 -20.4074 -20.4074 -19.4442 -19.4442 -19.4442 -19.4442 -19.2986 -19.2986 -19.2986 -19.2986 -19.1888 -19.1888 -19.1888 -19.1888 -11.5817 -11.5817 -11.5817 -11.5817 -3.5428 -3.5428 -3.5428 -3.5428 -2.6193 -2.6193 -2.6193 -2.6193 -2.0504 -2.0504 -2.0504 -2.0504 2.6799 2.6799 2.6799 2.6799 2.7767 2.7767 2.7767 2.7767 8.2359 8.2359 8.2359 8.2359 9.8629 9.8629 k = 0.0000 0.3581 0.3111 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4064 -20.4064 -20.4064 -20.4064 -19.4444 -19.4444 -19.4444 -19.4444 -19.2987 -19.2987 -19.2987 -19.2987 -19.1901 -19.1901 -19.1901 -19.1901 -11.5797 -11.5797 -11.5797 -11.5797 -3.5494 -3.5494 -3.5494 -3.5494 -2.6126 -2.6126 -2.6126 -2.6126 -2.0503 -2.0503 -2.0503 -2.0503 2.6738 2.6738 2.6738 2.6738 2.7767 2.7767 2.7767 2.7767 8.2266 8.2266 8.2266 8.2266 9.8798 9.8798 k = 0.0000 0.3473 0.3111 ( 5122 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4052 -20.4052 -20.4052 -20.4052 -19.4447 -19.4447 -19.4447 -19.4447 -19.2987 -19.2987 -19.2987 -19.2987 -19.1916 -19.1916 -19.1916 -19.1916 -11.5771 -11.5771 -11.5771 -11.5771 -3.5578 -3.5578 -3.5578 -3.5578 -2.6042 -2.6042 -2.6042 -2.6042 -2.0502 -2.0502 -2.0502 -2.0502 2.6661 2.6661 2.6661 2.6661 2.7766 2.7766 2.7766 2.7766 8.2151 8.2151 8.2151 8.2151 9.9011 9.9011 k = 0.0000 0.3364 0.3111 ( 5126 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4038 -20.4038 -20.4038 -20.4038 -19.4450 -19.4450 -19.4450 -19.4450 -19.2988 -19.2988 -19.2988 -19.2988 -19.1936 -19.1936 -19.1936 -19.1936 -11.5740 -11.5740 -11.5740 -11.5740 -3.5676 -3.5676 -3.5676 -3.5676 -2.5942 -2.5942 -2.5942 -2.5942 -2.0500 -2.0500 -2.0500 -2.0500 2.6568 2.6568 2.6568 2.6568 2.7766 2.7766 2.7766 2.7766 8.2016 8.2016 8.2016 8.2016 9.9263 9.9263 k = 0.0000 0.3256 0.3111 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4020 -20.4020 -20.4020 -20.4020 -19.4454 -19.4454 -19.4454 -19.4454 -19.2989 -19.2989 -19.2989 -19.2989 -19.1957 -19.1957 -19.1957 -19.1957 -11.5704 -11.5704 -11.5704 -11.5704 -3.5789 -3.5789 -3.5789 -3.5789 -2.5829 -2.5829 -2.5829 -2.5829 -2.0497 -2.0497 -2.0497 -2.0497 2.6461 2.6461 2.6461 2.6461 2.7766 2.7766 2.7766 2.7766 8.1863 8.1863 8.1863 8.1863 9.9548 9.9548 k = 0.0000 0.3147 0.3111 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4001 -20.4001 -20.4001 -20.4001 -19.4459 -19.4459 -19.4459 -19.4459 -19.2990 -19.2990 -19.2990 -19.2990 -19.1982 -19.1982 -19.1982 -19.1982 -11.5663 -11.5663 -11.5663 -11.5663 -3.5913 -3.5913 -3.5913 -3.5913 -2.5704 -2.5704 -2.5704 -2.5704 -2.0495 -2.0495 -2.0495 -2.0495 2.6339 2.6339 2.6339 2.6339 2.7767 2.7767 2.7767 2.7767 8.1696 8.1696 8.1696 8.1696 9.9864 9.9864 k = 0.0000 0.3039 0.3111 ( 5118 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3979 -20.3979 -20.3979 -20.3979 -19.4465 -19.4465 -19.4465 -19.4465 -19.2992 -19.2992 -19.2992 -19.2992 -19.2009 -19.2009 -19.2009 -19.2009 -11.5617 -11.5617 -11.5617 -11.5617 -3.6048 -3.6048 -3.6048 -3.6048 -2.5568 -2.5568 -2.5568 -2.5568 -2.0492 -2.0492 -2.0492 -2.0492 2.6204 2.6204 2.6204 2.6204 2.7767 2.7767 2.7767 2.7767 8.1517 8.1517 8.1517 8.1517 10.0204 10.0204 k = 0.0000 0.2930 0.3111 ( 5118 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3955 -20.3955 -20.3955 -20.3955 -19.4471 -19.4471 -19.4471 -19.4471 -19.2994 -19.2994 -19.2994 -19.2994 -19.2040 -19.2040 -19.2040 -19.2040 -11.5567 -11.5567 -11.5567 -11.5567 -3.6192 -3.6192 -3.6192 -3.6192 -2.5424 -2.5424 -2.5424 -2.5424 -2.0489 -2.0489 -2.0489 -2.0489 2.6057 2.6057 2.6057 2.6057 2.7768 2.7768 2.7768 2.7768 8.1328 8.1328 8.1328 8.1328 10.0565 10.0565 k = 0.0000 0.2822 0.3111 ( 5114 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3929 -20.3929 -20.3929 -20.3929 -19.4477 -19.4477 -19.4477 -19.4477 -19.2995 -19.2995 -19.2995 -19.2995 -19.2072 -19.2072 -19.2072 -19.2072 -11.5513 -11.5513 -11.5513 -11.5513 -3.6342 -3.6342 -3.6342 -3.6342 -2.5273 -2.5273 -2.5273 -2.5273 -2.0486 -2.0486 -2.0486 -2.0486 2.5900 2.5900 2.5900 2.5900 2.7769 2.7769 2.7769 2.7769 8.1132 8.1132 8.1132 8.1132 10.0940 10.0940 k = 0.0000 0.2713 0.3111 ( 5110 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3901 -20.3901 -20.3901 -20.3901 -19.4485 -19.4485 -19.4485 -19.4485 -19.2997 -19.2997 -19.2997 -19.2997 -19.2106 -19.2106 -19.2106 -19.2106 -11.5456 -11.5456 -11.5456 -11.5456 -3.6498 -3.6498 -3.6498 -3.6498 -2.5117 -2.5117 -2.5117 -2.5117 -2.0482 -2.0482 -2.0482 -2.0482 2.5734 2.5734 2.5734 2.5734 2.7771 2.7771 2.7771 2.7771 8.0931 8.0931 8.0931 8.0931 10.1326 10.1326 k = 0.0000 0.2605 0.3111 ( 5116 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3872 -20.3872 -20.3872 -20.3872 -19.4493 -19.4493 -19.4493 -19.4493 -19.3000 -19.3000 -19.3000 -19.3000 -19.2142 -19.2142 -19.2142 -19.2142 -11.5396 -11.5396 -11.5396 -11.5396 -3.6658 -3.6658 -3.6658 -3.6658 -2.4957 -2.4957 -2.4957 -2.4957 -2.0479 -2.0479 -2.0479 -2.0479 2.5560 2.5560 2.5560 2.5560 2.7772 2.7772 2.7772 2.7772 8.0727 8.0727 8.0727 8.0727 10.1717 10.1717 k = 0.0000 0.2496 0.3111 ( 5126 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3841 -20.3841 -20.3841 -20.3841 -19.4502 -19.4502 -19.4502 -19.4502 -19.3003 -19.3003 -19.3003 -19.3003 -19.2179 -19.2179 -19.2179 -19.2179 -11.5332 -11.5332 -11.5332 -11.5332 -3.6820 -3.6820 -3.6820 -3.6820 -2.4796 -2.4796 -2.4796 -2.4796 -2.0475 -2.0475 -2.0475 -2.0475 2.5380 2.5380 2.5380 2.5380 2.7774 2.7774 2.7774 2.7774 8.0523 8.0523 8.0523 8.0523 10.2109 10.2109 k = 0.0000 0.2388 0.3111 ( 5122 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3808 -20.3808 -20.3808 -20.3808 -19.4512 -19.4512 -19.4512 -19.4512 -19.3005 -19.3005 -19.3005 -19.3005 -19.2217 -19.2217 -19.2217 -19.2217 -11.5267 -11.5267 -11.5267 -11.5267 -3.6984 -3.6984 -3.6984 -3.6984 -2.4633 -2.4633 -2.4633 -2.4633 -2.0471 -2.0471 -2.0471 -2.0471 2.5196 2.5196 2.5196 2.5196 2.7776 2.7776 2.7776 2.7776 8.0319 8.0319 8.0319 8.0319 10.2499 10.2499 k = 0.0000 0.2279 0.3111 ( 5132 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3775 -20.3775 -20.3775 -20.3775 -19.4522 -19.4522 -19.4522 -19.4522 -19.3009 -19.3009 -19.3009 -19.3009 -19.2255 -19.2255 -19.2255 -19.2255 -11.5200 -11.5200 -11.5200 -11.5200 -3.7147 -3.7147 -3.7147 -3.7147 -2.4471 -2.4471 -2.4471 -2.4471 -2.0467 -2.0467 -2.0467 -2.0467 2.5007 2.5007 2.5007 2.5007 2.7778 2.7778 2.7778 2.7778 8.0117 8.0117 8.0117 8.0117 10.2882 10.2882 k = 0.0000 0.2171 0.3111 ( 5136 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3740 -20.3740 -20.3740 -20.3740 -19.4533 -19.4533 -19.4533 -19.4533 -19.3012 -19.3012 -19.3012 -19.3012 -19.2294 -19.2294 -19.2294 -19.2294 -11.5131 -11.5131 -11.5131 -11.5131 -3.7309 -3.7309 -3.7309 -3.7309 -2.4310 -2.4310 -2.4310 -2.4310 -2.0463 -2.0463 -2.0463 -2.0463 2.4818 2.4818 2.4818 2.4818 2.7780 2.7780 2.7780 2.7780 7.9918 7.9918 7.9918 7.9918 10.3256 10.3256 k = 0.0000 0.2062 0.3111 ( 5136 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3705 -20.3705 -20.3705 -20.3705 -19.4545 -19.4545 -19.4545 -19.4545 -19.3016 -19.3016 -19.3016 -19.3016 -19.2333 -19.2333 -19.2333 -19.2333 -11.5062 -11.5062 -11.5062 -11.5062 -3.7469 -3.7469 -3.7469 -3.7469 -2.4152 -2.4152 -2.4152 -2.4152 -2.0459 -2.0459 -2.0459 -2.0459 2.4628 2.4628 2.4628 2.4628 2.7783 2.7783 2.7783 2.7783 7.9723 7.9723 7.9723 7.9723 10.3618 10.3618 k = 0.0000 0.1954 0.3111 ( 5152 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3669 -20.3669 -20.3669 -20.3669 -19.4557 -19.4557 -19.4557 -19.4557 -19.3021 -19.3021 -19.3021 -19.3021 -19.2372 -19.2372 -19.2372 -19.2372 -11.4992 -11.4992 -11.4992 -11.4992 -3.7626 -3.7626 -3.7626 -3.7626 -2.3998 -2.3998 -2.3998 -2.3998 -2.0455 -2.0455 -2.0455 -2.0455 2.4439 2.4439 2.4439 2.4439 2.7785 2.7785 2.7785 2.7785 7.9534 7.9534 7.9534 7.9534 10.3964 10.3964 k = 0.0000 0.1845 0.3111 ( 5152 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3634 -20.3634 -20.3634 -20.3634 -19.4570 -19.4570 -19.4570 -19.4570 -19.3025 -19.3025 -19.3025 -19.3025 -19.2410 -19.2410 -19.2410 -19.2410 -11.4922 -11.4922 -11.4922 -11.4922 -3.7779 -3.7779 -3.7779 -3.7779 -2.3848 -2.3848 -2.3848 -2.3848 -2.0451 -2.0451 -2.0451 -2.0451 2.4252 2.4252 2.4252 2.4252 2.7787 2.7787 2.7787 2.7787 7.9350 7.9350 7.9350 7.9350 10.4294 10.4294 k = 0.0000 0.1736 0.3111 ( 5158 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3598 -20.3598 -20.3598 -20.3598 -19.4583 -19.4583 -19.4583 -19.4583 -19.3031 -19.3031 -19.3031 -19.3031 -19.2446 -19.2446 -19.2446 -19.2446 -11.4853 -11.4853 -11.4853 -11.4853 -3.7928 -3.7928 -3.7928 -3.7928 -2.3703 -2.3703 -2.3703 -2.3703 -2.0447 -2.0447 -2.0447 -2.0447 2.4069 2.4069 2.4069 2.4069 2.7789 2.7789 2.7789 2.7789 7.9174 7.9174 7.9174 7.9174 10.4606 10.4606 k = 0.0000 0.1628 0.3111 ( 5164 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3563 -20.3563 -20.3563 -20.3563 -19.4597 -19.4597 -19.4597 -19.4597 -19.3036 -19.3036 -19.3036 -19.3036 -19.2481 -19.2481 -19.2481 -19.2481 -11.4786 -11.4786 -11.4786 -11.4786 -3.8070 -3.8070 -3.8070 -3.8070 -2.3564 -2.3564 -2.3564 -2.3564 -2.0443 -2.0443 -2.0443 -2.0443 2.3892 2.3892 2.3892 2.3892 2.7792 2.7792 2.7792 2.7792 7.9005 7.9005 7.9005 7.9005 10.4899 10.4899 k = 0.0000 0.1519 0.3111 ( 5168 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3528 -20.3528 -20.3528 -20.3528 -19.4611 -19.4611 -19.4611 -19.4611 -19.3042 -19.3042 -19.3042 -19.3042 -19.2514 -19.2514 -19.2514 -19.2514 -11.4720 -11.4720 -11.4720 -11.4720 -3.8207 -3.8207 -3.8207 -3.8207 -2.3431 -2.3431 -2.3431 -2.3431 -2.0439 -2.0439 -2.0439 -2.0439 2.3720 2.3720 2.3720 2.3720 2.7794 2.7794 2.7794 2.7794 7.8845 7.8845 7.8845 7.8845 10.5171 10.5171 k = 0.0000 0.1411 0.3111 ( 5168 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3494 -20.3494 -20.3494 -20.3494 -19.4624 -19.4624 -19.4624 -19.4624 -19.3049 -19.3049 -19.3049 -19.3049 -19.2545 -19.2545 -19.2545 -19.2545 -11.4656 -11.4656 -11.4656 -11.4656 -3.8336 -3.8336 -3.8336 -3.8336 -2.3306 -2.3306 -2.3306 -2.3306 -2.0435 -2.0435 -2.0435 -2.0435 2.3556 2.3556 2.3556 2.3556 2.7796 2.7796 2.7796 2.7796 7.8694 7.8694 7.8694 7.8694 10.5423 10.5423 k = 0.0000 0.1302 0.3111 ( 5170 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3461 -20.3461 -20.3461 -20.3461 -19.4638 -19.4638 -19.4638 -19.4638 -19.3055 -19.3055 -19.3055 -19.3055 -19.2574 -19.2574 -19.2574 -19.2574 -11.4594 -11.4594 -11.4594 -11.4594 -3.8458 -3.8458 -3.8458 -3.8458 -2.3188 -2.3188 -2.3188 -2.3188 -2.0431 -2.0431 -2.0431 -2.0431 2.3399 2.3399 2.3399 2.3399 2.7799 2.7799 2.7799 2.7799 7.8551 7.8551 7.8551 7.8551 10.5654 10.5654 k = 0.0000 0.1194 0.3111 ( 5162 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3429 -20.3429 -20.3429 -20.3429 -19.4651 -19.4651 -19.4651 -19.4651 -19.3062 -19.3062 -19.3062 -19.3062 -19.2600 -19.2600 -19.2600 -19.2600 -11.4536 -11.4536 -11.4536 -11.4536 -3.8573 -3.8573 -3.8573 -3.8573 -2.3078 -2.3078 -2.3078 -2.3078 -2.0428 -2.0428 -2.0428 -2.0428 2.3252 2.3252 2.3252 2.3252 2.7801 2.7801 2.7801 2.7801 7.8419 7.8419 7.8419 7.8419 10.5865 10.5865 k = 0.0000 0.1085 0.3111 ( 5166 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3400 -20.3400 -20.3400 -20.3400 -19.4665 -19.4665 -19.4665 -19.4665 -19.3069 -19.3069 -19.3069 -19.3069 -19.2624 -19.2624 -19.2624 -19.2624 -11.4481 -11.4481 -11.4481 -11.4481 -3.8678 -3.8678 -3.8678 -3.8678 -2.2977 -2.2977 -2.2977 -2.2977 -2.0424 -2.0424 -2.0424 -2.0424 2.3115 2.3115 2.3115 2.3115 2.7803 2.7803 2.7803 2.7803 7.8297 7.8297 7.8297 7.8297 10.6056 10.6056 k = 0.0000 0.0977 0.3111 ( 5162 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3372 -20.3372 -20.3372 -20.3372 -19.4677 -19.4677 -19.4677 -19.4677 -19.3077 -19.3077 -19.3077 -19.3077 -19.2646 -19.2646 -19.2646 -19.2646 -11.4430 -11.4430 -11.4430 -11.4430 -3.8775 -3.8775 -3.8775 -3.8775 -2.2884 -2.2884 -2.2884 -2.2884 -2.0421 -2.0421 -2.0421 -2.0421 2.2989 2.2989 2.2989 2.2989 2.7805 2.7805 2.7805 2.7805 7.8185 7.8185 7.8185 7.8185 10.6226 10.6226 k = 0.0000 0.0868 0.3111 ( 5162 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3346 -20.3346 -20.3346 -20.3346 -19.4690 -19.4690 -19.4690 -19.4690 -19.3084 -19.3084 -19.3084 -19.3084 -19.2664 -19.2664 -19.2664 -19.2664 -11.4384 -11.4384 -11.4384 -11.4384 -3.8863 -3.8863 -3.8863 -3.8863 -2.2801 -2.2801 -2.2801 -2.2801 -2.0418 -2.0418 -2.0418 -2.0418 2.2874 2.2874 2.2874 2.2874 2.7807 2.7807 2.7807 2.7807 7.8084 7.8084 7.8084 7.8084 10.6378 10.6378 k = 0.0000 0.0760 0.3111 ( 5158 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3323 -20.3323 -20.3323 -20.3323 -19.4700 -19.4700 -19.4700 -19.4700 -19.3091 -19.3091 -19.3091 -19.3091 -19.2681 -19.2681 -19.2681 -19.2681 -11.4342 -11.4342 -11.4342 -11.4342 -3.8941 -3.8941 -3.8941 -3.8941 -2.2726 -2.2726 -2.2726 -2.2726 -2.0416 -2.0416 -2.0416 -2.0416 2.2771 2.2771 2.2771 2.2771 2.7808 2.7808 2.7808 2.7808 7.7995 7.7995 7.7995 7.7995 10.6510 10.6510 k = 0.0000 0.0651 0.3111 ( 5154 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3302 -20.3302 -20.3302 -20.3302 -19.4710 -19.4710 -19.4710 -19.4710 -19.3097 -19.3097 -19.3097 -19.3097 -19.2694 -19.2694 -19.2694 -19.2694 -11.4305 -11.4305 -11.4305 -11.4305 -3.9010 -3.9010 -3.9010 -3.9010 -2.2661 -2.2661 -2.2661 -2.2661 -2.0413 -2.0413 -2.0413 -2.0413 2.2681 2.2681 2.2681 2.2681 2.7809 2.7809 2.7809 2.7809 7.7916 7.7916 7.7916 7.7916 10.6623 10.6623 k = 0.0000 0.0543 0.3111 ( 5154 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3284 -20.3284 -20.3284 -20.3284 -19.4719 -19.4719 -19.4719 -19.4719 -19.3103 -19.3103 -19.3103 -19.3103 -19.2706 -19.2706 -19.2706 -19.2706 -11.4273 -11.4273 -11.4273 -11.4273 -3.9068 -3.9068 -3.9068 -3.9068 -2.2606 -2.2606 -2.2606 -2.2606 -2.0411 -2.0411 -2.0411 -2.0411 2.2604 2.2604 2.2604 2.2604 2.7811 2.7811 2.7811 2.7811 7.7850 7.7850 7.7850 7.7850 10.6718 10.6718 k = 0.0000 0.0434 0.3111 ( 5150 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3270 -20.3270 -20.3270 -20.3270 -19.4727 -19.4727 -19.4727 -19.4727 -19.3108 -19.3108 -19.3108 -19.3108 -19.2715 -19.2715 -19.2715 -19.2715 -11.4247 -11.4247 -11.4247 -11.4247 -3.9116 -3.9116 -3.9116 -3.9116 -2.2561 -2.2561 -2.2561 -2.2561 -2.0410 -2.0410 -2.0410 -2.0410 2.2541 2.2541 2.2541 2.2541 2.7812 2.7812 2.7812 2.7812 7.7795 7.7795 7.7795 7.7795 10.6795 10.6795 k = 0.0000 0.0326 0.3111 ( 5146 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3258 -20.3258 -20.3258 -20.3258 -19.4733 -19.4733 -19.4733 -19.4733 -19.3112 -19.3112 -19.3112 -19.3112 -19.2722 -19.2722 -19.2722 -19.2722 -11.4226 -11.4226 -11.4226 -11.4226 -3.9153 -3.9153 -3.9153 -3.9153 -2.2526 -2.2526 -2.2526 -2.2526 -2.0408 -2.0408 -2.0408 -2.0408 2.2491 2.2491 2.2491 2.2491 2.7813 2.7813 2.7813 2.7813 7.7752 7.7752 7.7752 7.7752 10.6855 10.6855 k = 0.0000 0.0217 0.3111 ( 5142 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3249 -20.3249 -20.3249 -20.3249 -19.4737 -19.4737 -19.4737 -19.4737 -19.3115 -19.3115 -19.3115 -19.3115 -19.2727 -19.2727 -19.2727 -19.2727 -11.4211 -11.4211 -11.4211 -11.4211 -3.9180 -3.9180 -3.9180 -3.9180 -2.2501 -2.2501 -2.2501 -2.2501 -2.0407 -2.0407 -2.0407 -2.0407 2.2456 2.2456 2.2456 2.2456 2.7813 2.7813 2.7813 2.7813 7.7722 7.7722 7.7722 7.7722 10.6897 10.6897 k = 0.0000 0.0109 0.3111 ( 5136 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3244 -20.3244 -20.3244 -20.3244 -19.4739 -19.4739 -19.4739 -19.4739 -19.3116 -19.3116 -19.3116 -19.3116 -19.2729 -19.2729 -19.2729 -19.2729 -11.4202 -11.4202 -11.4202 -11.4202 -3.9196 -3.9196 -3.9196 -3.9196 -2.2485 -2.2485 -2.2485 -2.2485 -2.0407 -2.0407 -2.0407 -2.0407 2.2434 2.2434 2.2434 2.2434 2.7814 2.7814 2.7814 2.7814 7.7703 7.7703 7.7703 7.7703 10.6923 10.6923 k = 0.0000 0.0000 0.3111 ( 5132 PWs) bands (ev): -47.4322 -47.4322 -47.4322 -47.4322 -20.3243 -20.3243 -20.3243 -20.3243 -19.4740 -19.4740 -19.4740 -19.4740 -19.3117 -19.3117 -19.3117 -19.3117 -19.2730 -19.2730 -19.2730 -19.2730 -11.4199 -11.4199 -11.4199 -11.4199 -3.9201 -3.9201 -3.9201 -3.9201 -2.2480 -2.2480 -2.2480 -2.2480 -2.0407 -2.0407 -2.0407 -2.0407 2.2427 2.2427 2.2427 2.2427 2.7814 2.7814 2.7814 2.7814 7.7697 7.7697 7.7697 7.7697 10.6931 10.6931 k = 0.0000 0.4016-0.0000 ( 5142 PWs) bands (ev): -47.4321 -47.4321 -47.4321 -47.4321 -20.3683 -20.3683 -20.3683 -20.3683 -19.4578 -19.4578 -19.4578 -19.4578 -19.3069 -19.3069 -19.3069 -19.3069 -19.2203 -19.2203 -19.2203 -19.2203 -11.5528 -11.5528 -11.5528 -11.5528 -3.6985 -3.6985 -3.6985 -3.6985 -2.4170 -2.4170 -2.4170 -2.4170 -2.0504 -2.0504 -2.0504 -2.0504 2.6264 2.6264 2.6264 2.6264 2.7798 2.7798 2.7798 2.7798 7.5878 7.5878 7.5878 7.5878 11.3263 11.3263 k = 0.0000 0.4016 0.0107 ( 5126 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3684 -20.3684 -20.3684 -20.3684 -19.4577 -19.4577 -19.4577 -19.4577 -19.3068 -19.3068 -19.3068 -19.3068 -19.2202 -19.2202 -19.2202 -19.2202 -11.5529 -11.5529 -11.5529 -11.5529 -3.6981 -3.6981 -3.6981 -3.6981 -2.4175 -2.4175 -2.4175 -2.4175 -2.0504 -2.0504 -2.0504 -2.0504 2.6266 2.6266 2.6266 2.6266 2.7799 2.7799 2.7799 2.7799 7.5892 7.5892 7.5892 7.5892 11.3217 11.3217 k = 0.0000 0.4016 0.0215 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3688 -20.3688 -20.3688 -20.3688 -19.4575 -19.4575 -19.4575 -19.4575 -19.3067 -19.3067 -19.3067 -19.3067 -19.2199 -19.2199 -19.2199 -19.2199 -11.5531 -11.5531 -11.5531 -11.5531 -3.6969 -3.6969 -3.6969 -3.6969 -2.4191 -2.4191 -2.4191 -2.4191 -2.0504 -2.0504 -2.0504 -2.0504 2.6272 2.6272 2.6272 2.6272 2.7798 2.7798 2.7798 2.7798 7.5932 7.5932 7.5932 7.5932 11.3079 11.3079 k = 0.0000 0.4016 0.0322 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3694 -20.3694 -20.3694 -20.3694 -19.4573 -19.4573 -19.4573 -19.4573 -19.3065 -19.3065 -19.3065 -19.3065 -19.2195 -19.2195 -19.2195 -19.2195 -11.5536 -11.5536 -11.5536 -11.5536 -3.6948 -3.6948 -3.6948 -3.6948 -2.4218 -2.4218 -2.4218 -2.4218 -2.0504 -2.0504 -2.0504 -2.0504 2.6281 2.6281 2.6281 2.6281 2.7798 2.7798 2.7798 2.7798 7.6000 7.6000 7.6000 7.6000 11.2852 11.2852 k = 0.0000 0.4016 0.0429 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3702 -20.3702 -20.3702 -20.3702 -19.4569 -19.4569 -19.4569 -19.4569 -19.3063 -19.3063 -19.3063 -19.3063 -19.2189 -19.2189 -19.2189 -19.2189 -11.5542 -11.5542 -11.5542 -11.5542 -3.6920 -3.6920 -3.6920 -3.6920 -2.4256 -2.4256 -2.4256 -2.4256 -2.0504 -2.0504 -2.0504 -2.0504 2.6294 2.6294 2.6294 2.6294 2.7797 2.7797 2.7797 2.7797 7.6094 7.6094 7.6094 7.6094 11.2537 11.2537 k = 0.0000 0.4016 0.0536 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3713 -20.3713 -20.3713 -20.3713 -19.4565 -19.4565 -19.4565 -19.4565 -19.3060 -19.3060 -19.3060 -19.3060 -19.2182 -19.2182 -19.2182 -19.2182 -11.5550 -11.5550 -11.5550 -11.5550 -3.6884 -3.6884 -3.6884 -3.6884 -2.4304 -2.4304 -2.4304 -2.4304 -2.0504 -2.0504 -2.0504 -2.0504 2.6310 2.6310 2.6310 2.6310 2.7797 2.7797 2.7797 2.7797 7.6215 7.6215 7.6215 7.6215 11.2141 11.2141 k = 0.0000 0.4016 0.0644 ( 5118 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3726 -20.3726 -20.3726 -20.3726 -19.4560 -19.4560 -19.4560 -19.4560 -19.3057 -19.3057 -19.3057 -19.3057 -19.2172 -19.2172 -19.2172 -19.2172 -11.5560 -11.5560 -11.5560 -11.5560 -3.6841 -3.6841 -3.6841 -3.6841 -2.4362 -2.4362 -2.4362 -2.4362 -2.0504 -2.0504 -2.0504 -2.0504 2.6329 2.6329 2.6329 2.6329 2.7796 2.7796 2.7796 2.7796 7.6361 7.6361 7.6361 7.6361 11.1668 11.1668 k = 0.0000 0.4016 0.0751 ( 5110 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3740 -20.3740 -20.3740 -20.3740 -19.4554 -19.4554 -19.4554 -19.4554 -19.3053 -19.3053 -19.3053 -19.3053 -19.2162 -19.2162 -19.2162 -19.2162 -11.5571 -11.5571 -11.5571 -11.5571 -3.6791 -3.6791 -3.6791 -3.6791 -2.4429 -2.4429 -2.4429 -2.4429 -2.0504 -2.0504 -2.0504 -2.0504 2.6351 2.6351 2.6351 2.6351 2.7794 2.7794 2.7794 2.7794 7.6533 7.6533 7.6533 7.6533 11.1127 11.1127 k = 0.0000 0.4016 0.0858 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3757 -20.3757 -20.3757 -20.3757 -19.4548 -19.4548 -19.4548 -19.4548 -19.3050 -19.3050 -19.3050 -19.3050 -19.2150 -19.2150 -19.2150 -19.2150 -11.5583 -11.5583 -11.5583 -11.5583 -3.6733 -3.6733 -3.6733 -3.6733 -2.4505 -2.4505 -2.4505 -2.4505 -2.0504 -2.0504 -2.0504 -2.0504 2.6375 2.6375 2.6375 2.6375 2.7793 2.7793 2.7793 2.7793 7.6729 7.6729 7.6729 7.6729 11.0526 11.0526 k = 0.0000 0.4016 0.0965 ( 5108 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3774 -20.3774 -20.3774 -20.3774 -19.4541 -19.4541 -19.4541 -19.4541 -19.3046 -19.3046 -19.3046 -19.3046 -19.2136 -19.2136 -19.2136 -19.2136 -11.5597 -11.5597 -11.5597 -11.5597 -3.6670 -3.6670 -3.6670 -3.6670 -2.4589 -2.4589 -2.4589 -2.4589 -2.0504 -2.0504 -2.0504 -2.0504 2.6402 2.6402 2.6402 2.6402 2.7792 2.7792 2.7792 2.7792 7.6949 7.6949 7.6949 7.6949 10.9875 10.9875 k = 0.0000 0.4016 0.1073 ( 5108 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3794 -20.3794 -20.3794 -20.3794 -19.4534 -19.4534 -19.4534 -19.4534 -19.3041 -19.3041 -19.3041 -19.3041 -19.2121 -19.2121 -19.2121 -19.2121 -11.5612 -11.5612 -11.5612 -11.5612 -3.6600 -3.6600 -3.6600 -3.6600 -2.4680 -2.4680 -2.4680 -2.4680 -2.0504 -2.0504 -2.0504 -2.0504 2.6431 2.6431 2.6431 2.6431 2.7790 2.7790 2.7790 2.7790 7.7191 7.7191 7.7191 7.7191 10.9184 10.9184 k = 0.0000 0.4016 0.1180 ( 5108 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3814 -20.3814 -20.3814 -20.3814 -19.4526 -19.4526 -19.4526 -19.4526 -19.3037 -19.3037 -19.3037 -19.3037 -19.2106 -19.2106 -19.2106 -19.2106 -11.5627 -11.5627 -11.5627 -11.5627 -3.6526 -3.6526 -3.6526 -3.6526 -2.4778 -2.4778 -2.4778 -2.4778 -2.0504 -2.0504 -2.0504 -2.0504 2.6462 2.6462 2.6462 2.6462 2.7788 2.7788 2.7788 2.7788 7.7456 7.7456 7.7456 7.7456 10.8461 10.8461 k = 0.0000 0.4016 0.1287 ( 5100 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3835 -20.3835 -20.3835 -20.3835 -19.4519 -19.4519 -19.4519 -19.4519 -19.3032 -19.3032 -19.3032 -19.3032 -19.2089 -19.2089 -19.2089 -19.2089 -11.5643 -11.5643 -11.5643 -11.5643 -3.6447 -3.6447 -3.6447 -3.6447 -2.4880 -2.4880 -2.4880 -2.4880 -2.0504 -2.0504 -2.0504 -2.0504 2.6494 2.6494 2.6494 2.6494 2.7787 2.7787 2.7787 2.7787 7.7740 7.7740 7.7740 7.7740 10.7716 10.7716 k = 0.0000 0.4016 0.1395 ( 5100 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3856 -20.3856 -20.3856 -20.3856 -19.4511 -19.4511 -19.4511 -19.4511 -19.3027 -19.3027 -19.3027 -19.3027 -19.2072 -19.2072 -19.2072 -19.2072 -11.5660 -11.5660 -11.5660 -11.5660 -3.6364 -3.6364 -3.6364 -3.6364 -2.4988 -2.4988 -2.4988 -2.4988 -2.0504 -2.0504 -2.0504 -2.0504 2.6526 2.6526 2.6526 2.6526 2.7785 2.7785 2.7785 2.7785 7.8042 7.8042 7.8042 7.8042 10.6956 10.6956 k = 0.0000 0.4016 0.1502 ( 5096 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3878 -20.3878 -20.3878 -20.3878 -19.4503 -19.4503 -19.4503 -19.4503 -19.3023 -19.3023 -19.3023 -19.3023 -19.2054 -19.2054 -19.2054 -19.2054 -11.5677 -11.5677 -11.5677 -11.5677 -3.6279 -3.6279 -3.6279 -3.6279 -2.5099 -2.5099 -2.5099 -2.5099 -2.0504 -2.0504 -2.0504 -2.0504 2.6560 2.6560 2.6560 2.6560 2.7783 2.7783 2.7783 2.7783 7.8362 7.8362 7.8362 7.8362 10.6189 10.6189 k = 0.0000 0.4016 0.1609 ( 5104 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3900 -20.3900 -20.3900 -20.3900 -19.4496 -19.4496 -19.4496 -19.4496 -19.3018 -19.3018 -19.3018 -19.3018 -19.2037 -19.2037 -19.2037 -19.2037 -11.5694 -11.5694 -11.5694 -11.5694 -3.6191 -3.6191 -3.6191 -3.6191 -2.5212 -2.5212 -2.5212 -2.5212 -2.0504 -2.0504 -2.0504 -2.0504 2.6593 2.6593 2.6593 2.6593 2.7781 2.7781 2.7781 2.7781 7.8695 7.8695 7.8695 7.8695 10.5421 10.5421 k = 0.0000 0.4016 0.1716 ( 5096 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3921 -20.3921 -20.3921 -20.3921 -19.4488 -19.4488 -19.4488 -19.4488 -19.3014 -19.3014 -19.3014 -19.3014 -19.2018 -19.2018 -19.2018 -19.2018 -11.5711 -11.5711 -11.5711 -11.5711 -3.6102 -3.6102 -3.6102 -3.6102 -2.5326 -2.5326 -2.5326 -2.5326 -2.0505 -2.0505 -2.0505 -2.0505 2.6626 2.6626 2.6626 2.6626 2.7780 2.7780 2.7780 2.7780 7.9041 7.9041 7.9041 7.9041 10.4660 10.4660 k = 0.0000 0.4016 0.1824 ( 5100 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3943 -20.3943 -20.3943 -20.3943 -19.4482 -19.4482 -19.4482 -19.4482 -19.3010 -19.3010 -19.3010 -19.3010 -19.2001 -19.2001 -19.2001 -19.2001 -11.5728 -11.5728 -11.5728 -11.5728 -3.6013 -3.6013 -3.6013 -3.6013 -2.5439 -2.5439 -2.5439 -2.5439 -2.0505 -2.0505 -2.0505 -2.0505 2.6658 2.6658 2.6658 2.6658 2.7778 2.7778 2.7778 2.7778 7.9395 7.9395 7.9395 7.9395 10.3911 10.3911 k = 0.0000 0.4016 0.1931 ( 5100 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3963 -20.3963 -20.3963 -20.3963 -19.4475 -19.4475 -19.4475 -19.4475 -19.3006 -19.3006 -19.3006 -19.3006 -19.1983 -19.1983 -19.1983 -19.1983 -11.5744 -11.5744 -11.5744 -11.5744 -3.5925 -3.5925 -3.5925 -3.5925 -2.5551 -2.5551 -2.5551 -2.5551 -2.0505 -2.0505 -2.0505 -2.0505 2.6689 2.6689 2.6689 2.6689 2.7777 2.7777 2.7777 2.7777 7.9755 7.9755 7.9755 7.9755 10.3181 10.3181 k = 0.0000 0.4016 0.2038 ( 5104 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.3982 -20.3982 -20.3982 -20.3982 -19.4469 -19.4469 -19.4469 -19.4469 -19.3003 -19.3003 -19.3003 -19.3003 -19.1966 -19.1966 -19.1966 -19.1966 -11.5759 -11.5759 -11.5759 -11.5759 -3.5839 -3.5839 -3.5839 -3.5839 -2.5660 -2.5660 -2.5660 -2.5660 -2.0505 -2.0505 -2.0505 -2.0505 2.6719 2.6719 2.6719 2.6719 2.7775 2.7775 2.7775 2.7775 8.0116 8.0116 8.0116 8.0116 10.2475 10.2475 k = 0.0000 0.4016 0.2146 ( 5098 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4001 -20.4001 -20.4001 -20.4001 -19.4463 -19.4463 -19.4463 -19.4463 -19.2999 -19.2999 -19.2999 -19.2999 -19.1949 -19.1949 -19.1949 -19.1949 -11.5774 -11.5774 -11.5774 -11.5774 -3.5756 -3.5756 -3.5756 -3.5756 -2.5764 -2.5764 -2.5764 -2.5764 -2.0505 -2.0505 -2.0505 -2.0505 2.6747 2.6747 2.6747 2.6747 2.7774 2.7774 2.7774 2.7774 8.0474 8.0474 8.0474 8.0474 10.1801 10.1801 k = 0.0000 0.4016 0.2253 ( 5096 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4017 -20.4017 -20.4017 -20.4017 -19.4458 -19.4458 -19.4458 -19.4458 -19.2996 -19.2996 -19.2996 -19.2996 -19.1934 -19.1934 -19.1934 -19.1934 -11.5787 -11.5787 -11.5787 -11.5787 -3.5677 -3.5677 -3.5677 -3.5677 -2.5863 -2.5863 -2.5863 -2.5863 -2.0505 -2.0505 -2.0505 -2.0505 2.6773 2.6773 2.6773 2.6773 2.7773 2.7773 2.7773 2.7773 8.0823 8.0823 8.0823 8.0823 10.1166 10.1166 k = 0.0000 0.4016 0.2360 ( 5102 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4033 -20.4033 -20.4033 -20.4033 -19.4454 -19.4454 -19.4454 -19.4454 -19.2994 -19.2994 -19.2994 -19.2994 -19.1920 -19.1920 -19.1920 -19.1920 -11.5800 -11.5800 -11.5800 -11.5800 -3.5605 -3.5605 -3.5605 -3.5605 -2.5954 -2.5954 -2.5954 -2.5954 -2.0506 -2.0506 -2.0506 -2.0506 2.6796 2.6796 2.6796 2.6796 2.7771 2.7771 2.7771 2.7771 8.1158 8.1158 8.1158 8.1158 10.0576 10.0576 k = 0.0000 0.4016 0.2467 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4047 -20.4047 -20.4047 -20.4047 -19.4450 -19.4450 -19.4450 -19.4450 -19.2992 -19.2992 -19.2992 -19.2992 -19.1908 -19.1908 -19.1908 -19.1908 -11.5811 -11.5811 -11.5811 -11.5811 -3.5539 -3.5539 -3.5539 -3.5539 -2.6036 -2.6036 -2.6036 -2.6036 -2.0506 -2.0506 -2.0506 -2.0506 2.6817 2.6817 2.6817 2.6817 2.7770 2.7770 2.7770 2.7770 8.1471 8.1471 8.1471 8.1471 10.0040 10.0040 k = 0.0000 0.4016 0.2575 ( 5120 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4059 -20.4059 -20.4059 -20.4059 -19.4447 -19.4447 -19.4447 -19.4447 -19.2990 -19.2990 -19.2990 -19.2990 -19.1898 -19.1898 -19.1898 -19.1898 -11.5821 -11.5821 -11.5821 -11.5821 -3.5480 -3.5480 -3.5480 -3.5480 -2.6108 -2.6108 -2.6108 -2.6108 -2.0506 -2.0506 -2.0506 -2.0506 2.6835 2.6835 2.6835 2.6835 2.7769 2.7769 2.7769 2.7769 8.1755 8.1755 8.1755 8.1755 9.9566 9.9566 k = 0.0000 0.4016 0.2682 ( 5116 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4068 -20.4068 -20.4068 -20.4068 -19.4444 -19.4444 -19.4444 -19.4444 -19.2988 -19.2988 -19.2988 -19.2988 -19.1888 -19.1888 -19.1888 -19.1888 -11.5829 -11.5829 -11.5829 -11.5829 -3.5431 -3.5431 -3.5431 -3.5431 -2.6169 -2.6169 -2.6169 -2.6169 -2.0506 -2.0506 -2.0506 -2.0506 2.6850 2.6850 2.6850 2.6850 2.7769 2.7769 2.7769 2.7769 8.2003 8.2003 8.2003 8.2003 9.9162 9.9162 k = 0.0000 0.4016 0.2789 ( 5108 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4076 -20.4076 -20.4076 -20.4076 -19.4441 -19.4441 -19.4441 -19.4441 -19.2987 -19.2987 -19.2987 -19.2987 -19.1881 -19.1881 -19.1881 -19.1881 -11.5835 -11.5835 -11.5835 -11.5835 -3.5392 -3.5392 -3.5392 -3.5392 -2.6217 -2.6217 -2.6217 -2.6217 -2.0506 -2.0506 -2.0506 -2.0506 2.6862 2.6862 2.6862 2.6862 2.7768 2.7768 2.7768 2.7768 8.2206 8.2206 8.2206 8.2206 9.8837 9.8837 k = 0.0000 0.4016 0.2896 ( 5104 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4082 -20.4082 -20.4082 -20.4082 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1876 -19.1876 -19.1876 -19.1876 -11.5839 -11.5839 -11.5839 -11.5839 -3.5363 -3.5363 -3.5363 -3.5363 -2.6252 -2.6252 -2.6252 -2.6252 -2.0506 -2.0506 -2.0506 -2.0506 2.6871 2.6871 2.6871 2.6871 2.7768 2.7768 2.7768 2.7768 8.2357 8.2357 8.2357 8.2357 9.8599 9.8599 k = 0.0000 0.4016 0.3004 ( 5130 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4085 -20.4085 -20.4085 -20.4085 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1873 -19.1873 -19.1873 -19.1873 -11.5842 -11.5842 -11.5842 -11.5842 -3.5346 -3.5346 -3.5346 -3.5346 -2.6274 -2.6274 -2.6274 -2.6274 -2.0506 -2.0506 -2.0506 -2.0506 2.6876 2.6876 2.6876 2.6876 2.7768 2.7768 2.7768 2.7768 8.2450 8.2450 8.2450 8.2450 9.8453 9.8453 k = 0.0000 0.4016 0.3111 ( 5140 PWs) bands (ev): -47.4320 -47.4320 -47.4320 -47.4320 -20.4086 -20.4086 -20.4086 -20.4086 -19.4439 -19.4439 -19.4439 -19.4439 -19.2986 -19.2986 -19.2986 -19.2986 -19.1872 -19.1872 -19.1872 -19.1872 -11.5843 -11.5843 -11.5843 -11.5843 -3.5340 -3.5340 -3.5340 -3.5340 -2.6282 -2.6282 -2.6282 -2.6282 -2.0506 -2.0506 -2.0506 -2.0506 2.6877 2.6877 2.6877 2.6877 2.7767 2.7767 2.7767 2.7767 8.2481 8.2481 8.2481 8.2481 9.8404 9.8404 k = 0.5000-0.0000 0.3111 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3706 -20.3706 -20.3687 -20.3687 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2088 -19.2088 -19.2037 -19.2037 -11.4010 -11.4010 -11.4009 -11.4009 -3.6381 -3.6381 -3.6372 -3.6372 -3.0362 -3.0362 -3.0277 -3.0277 -2.1441 -2.1441 -2.1338 -2.1338 2.2314 2.2314 2.2393 2.2393 2.4565 2.4565 2.4676 2.4676 9.0528 9.0528 9.0625 9.0625 11.3990 11.3990 k = 0.5000-0.0000 0.3004 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3705 -20.3705 -20.3686 -20.3686 -19.4609 -19.4609 -19.4495 -19.4495 -19.3121 -19.3121 -19.3076 -19.3076 -19.2090 -19.2090 -19.2039 -19.2039 -11.4009 -11.4009 -11.4008 -11.4008 -3.6387 -3.6387 -3.6377 -3.6377 -3.0353 -3.0353 -3.0268 -3.0268 -2.1443 -2.1443 -2.1341 -2.1341 2.2316 2.2316 2.2395 2.2395 2.4562 2.4562 2.4673 2.4673 9.0528 9.0528 9.0625 9.0625 11.3945 11.3950 k = 0.5000-0.0000 0.2896 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3701 -20.3701 -20.3683 -20.3683 -19.4610 -19.4610 -19.4496 -19.4496 -19.3121 -19.3121 -19.3076 -19.3076 -19.2094 -19.2094 -19.2043 -19.2043 -11.4007 -11.4007 -11.4006 -11.4006 -3.6403 -3.6403 -3.6394 -3.6394 -3.0326 -3.0326 -3.0241 -3.0241 -2.1452 -2.1452 -2.1350 -2.1350 2.2320 2.2320 2.2400 2.2400 2.4554 2.4554 2.4665 2.4665 9.0528 9.0528 9.0625 9.0625 11.3811 11.3823 k = 0.5000-0.0000 0.2789 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3696 -20.3696 -20.3677 -20.3677 -19.4610 -19.4610 -19.4497 -19.4497 -19.3121 -19.3121 -19.3076 -19.3076 -19.2100 -19.2100 -19.2049 -19.2049 -11.4003 -11.4003 -11.4002 -11.4002 -3.6430 -3.6430 -3.6421 -3.6421 -3.0281 -3.0281 -3.0197 -3.0197 -2.1467 -2.1467 -2.1365 -2.1365 2.2327 2.2327 2.2407 2.2407 2.4540 2.4540 2.4651 2.4651 9.0528 9.0528 9.0625 9.0625 11.3598 11.3598 k = 0.5000-0.0000 0.2682 ( 5086 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3688 -20.3688 -20.3670 -20.3670 -19.4612 -19.4612 -19.4499 -19.4499 -19.3121 -19.3121 -19.3077 -19.3077 -19.2108 -19.2108 -19.2058 -19.2058 -11.3997 -11.3997 -11.3996 -11.3996 -3.6467 -3.6467 -3.6457 -3.6457 -3.0220 -3.0220 -3.0136 -3.0136 -2.1487 -2.1487 -2.1386 -2.1386 2.2338 2.2338 2.2418 2.2418 2.4521 2.4521 2.4632 2.4632 9.0529 9.0529 9.0624 9.0624 11.3321 11.3347 k = 0.5000-0.0000 0.2575 ( 5082 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3678 -20.3678 -20.3660 -20.3660 -19.4613 -19.4613 -19.4502 -19.4502 -19.3121 -19.3121 -19.3077 -19.3077 -19.2119 -19.2119 -19.2070 -19.2070 -11.3990 -11.3990 -11.3989 -11.3989 -3.6513 -3.6513 -3.6503 -3.6503 -3.0143 -3.0143 -3.0060 -3.0060 -2.1513 -2.1513 -2.1412 -2.1412 2.2350 2.2350 2.2431 2.2431 2.4497 2.4497 2.4608 2.4608 9.0529 9.0529 9.0624 9.0624 11.2994 11.3000 k = 0.5000-0.0000 0.2467 ( 5078 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3666 -20.3666 -20.3648 -20.3648 -19.4615 -19.4615 -19.4504 -19.4504 -19.3122 -19.3122 -19.3077 -19.3077 -19.2131 -19.2131 -19.2083 -19.2083 -11.3982 -11.3982 -11.3981 -11.3981 -3.6567 -3.6567 -3.6557 -3.6557 -3.0052 -3.0052 -2.9969 -2.9969 -2.1544 -2.1544 -2.1444 -2.1444 2.2366 2.2366 2.2447 2.2447 2.4468 2.4468 2.4579 2.4579 9.0530 9.0530 9.0623 9.0623 11.2628 11.2629 k = 0.5000-0.0000 0.2360 ( 5084 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3652 -20.3652 -20.3635 -20.3635 -19.4617 -19.4617 -19.4508 -19.4508 -19.3122 -19.3122 -19.3078 -19.3078 -19.2146 -19.2146 -19.2099 -19.2099 -11.3972 -11.3972 -11.3971 -11.3971 -3.6627 -3.6627 -3.6617 -3.6617 -2.9947 -2.9947 -2.9865 -2.9865 -2.1581 -2.1581 -2.1481 -2.1481 2.2384 2.2384 2.2466 2.2466 2.4434 2.4434 2.4545 2.4545 9.0531 9.0531 9.0622 9.0622 11.2237 11.2237 k = 0.5000-0.0000 0.2253 ( 5088 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3636 -20.3636 -20.3619 -20.3619 -19.4619 -19.4619 -19.4512 -19.4512 -19.3123 -19.3123 -19.3079 -19.3079 -19.2163 -19.2163 -19.2117 -19.2117 -11.3961 -11.3961 -11.3960 -11.3960 -3.6693 -3.6693 -3.6684 -3.6684 -2.9831 -2.9831 -2.9750 -2.9750 -2.1623 -2.1623 -2.1524 -2.1524 2.2405 2.2405 2.2488 2.2488 2.4396 2.4396 2.4507 2.4507 9.0532 9.0532 9.0621 9.0621 11.1831 11.1836 k = 0.5000-0.0000 0.2146 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3619 -20.3619 -20.3603 -20.3603 -19.4622 -19.4622 -19.4517 -19.4517 -19.3124 -19.3124 -19.3080 -19.3080 -19.2182 -19.2182 -19.2137 -19.2137 -11.3949 -11.3949 -11.3948 -11.3948 -3.6764 -3.6764 -3.6754 -3.6754 -2.9705 -2.9705 -2.9624 -2.9624 -2.1670 -2.1670 -2.1573 -2.1573 2.2428 2.2428 2.2511 2.2511 2.4354 2.4354 2.4465 2.4465 9.0533 9.0533 9.0620 9.0620 11.1414 11.1414 k = 0.5000-0.0000 0.2038 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3601 -20.3601 -20.3585 -20.3585 -19.4625 -19.4625 -19.4522 -19.4522 -19.3124 -19.3124 -19.3081 -19.3081 -19.2201 -19.2201 -19.2158 -19.2158 -11.3936 -11.3936 -11.3936 -11.3936 -3.6838 -3.6838 -3.6828 -3.6828 -2.9570 -2.9570 -2.9490 -2.9490 -2.1722 -2.1722 -2.1626 -2.1626 2.2453 2.2453 2.2537 2.2537 2.4308 2.4308 2.4420 2.4420 9.0534 9.0534 9.0619 9.0619 11.0996 11.0998 k = 0.5000-0.0000 0.1931 ( 5100 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3581 -20.3581 -20.3565 -20.3565 -19.4628 -19.4628 -19.4528 -19.4528 -19.3125 -19.3125 -19.3082 -19.3082 -19.2222 -19.2222 -19.2180 -19.2180 -11.3923 -11.3923 -11.3922 -11.3922 -3.6914 -3.6914 -3.6904 -3.6904 -2.9427 -2.9427 -2.9349 -2.9349 -2.1778 -2.1778 -2.1683 -2.1683 2.2480 2.2480 2.2565 2.2565 2.4259 2.4259 2.4371 2.4371 9.0536 9.0536 9.0619 9.0619 11.0580 11.0580 k = 0.5000-0.0000 0.1824 ( 5108 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3561 -20.3561 -20.3545 -20.3545 -19.4631 -19.4631 -19.4534 -19.4534 -19.3125 -19.3125 -19.3083 -19.3083 -19.2244 -19.2244 -19.2204 -19.2204 -11.3908 -11.3908 -11.3908 -11.3908 -3.6990 -3.6990 -3.6981 -3.6981 -2.9279 -2.9279 -2.9202 -2.9202 -2.1839 -2.1839 -2.1746 -2.1746 2.2508 2.2508 2.2595 2.2595 2.4208 2.4208 2.4320 2.4320 9.0538 9.0538 9.0618 9.0618 11.0171 11.0171 k = 0.5000-0.0000 0.1716 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3539 -20.3539 -20.3524 -20.3524 -19.4635 -19.4635 -19.4540 -19.4540 -19.3126 -19.3126 -19.3084 -19.3084 -19.2266 -19.2266 -19.2228 -19.2228 -11.3894 -11.3894 -11.3893 -11.3893 -3.7067 -3.7067 -3.7058 -3.7058 -2.9126 -2.9126 -2.9050 -2.9050 -2.1903 -2.1903 -2.1812 -2.1812 2.2539 2.2539 2.2627 2.2627 2.4154 2.4154 2.4266 2.4266 9.0541 9.0541 9.0617 9.0617 10.9773 10.9773 k = 0.5000-0.0000 0.1609 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3517 -20.3517 -20.3503 -20.3503 -19.4638 -19.4638 -19.4547 -19.4547 -19.3126 -19.3126 -19.3086 -19.3086 -19.2288 -19.2288 -19.2252 -19.2252 -11.3879 -11.3879 -11.3878 -11.3878 -3.7143 -3.7143 -3.7134 -3.7134 -2.8971 -2.8971 -2.8896 -2.8896 -2.1971 -2.1971 -2.1881 -2.1881 2.2571 2.2571 2.2660 2.2660 2.4099 2.4099 2.4211 2.4211 9.0543 9.0543 9.0616 9.0616 10.9391 10.9396 k = 0.5000-0.0000 0.1502 ( 5104 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3495 -20.3495 -20.3481 -20.3481 -19.4641 -19.4641 -19.4554 -19.4554 -19.3127 -19.3127 -19.3087 -19.3087 -19.2310 -19.2310 -19.2276 -19.2276 -11.3864 -11.3864 -11.3863 -11.3863 -3.7217 -3.7217 -3.7209 -3.7209 -2.8814 -2.8814 -2.8741 -2.8741 -2.2041 -2.2041 -2.1954 -2.1954 2.2604 2.2604 2.2694 2.2694 2.4042 2.4042 2.4154 2.4154 9.0546 9.0546 9.0616 9.0616 10.9019 10.9019 k = 0.5000-0.0000 0.1395 ( 5094 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3473 -20.3473 -20.3460 -20.3460 -19.4644 -19.4644 -19.4562 -19.4562 -19.3127 -19.3127 -19.3089 -19.3089 -19.2332 -19.2332 -19.2300 -19.2300 -11.3849 -11.3849 -11.3848 -11.3848 -3.7289 -3.7289 -3.7281 -3.7281 -2.8657 -2.8657 -2.8586 -2.8586 -2.2114 -2.2114 -2.2030 -2.2030 2.2638 2.2638 2.2730 2.2730 2.3985 2.3985 2.4097 2.4097 9.0549 9.0549 9.0615 9.0615 10.8670 10.8675 k = 0.5000-0.0000 0.1287 ( 5098 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3451 -20.3451 -20.3439 -20.3439 -19.4647 -19.4647 -19.4569 -19.4569 -19.3128 -19.3128 -19.3091 -19.3091 -19.2353 -19.2353 -19.2324 -19.2324 -11.3834 -11.3834 -11.3834 -11.3834 -3.7358 -3.7358 -3.7350 -3.7350 -2.8501 -2.8501 -2.8432 -2.8432 -2.2188 -2.2188 -2.2107 -2.2107 2.2673 2.2673 2.2766 2.2766 2.3927 2.3927 2.4038 2.4038 9.0553 9.0553 9.0614 9.0614 10.8339 10.8343 k = 0.5000-0.0000 0.1180 ( 5098 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3429 -20.3429 -20.3418 -20.3418 -19.4650 -19.4650 -19.4577 -19.4577 -19.3128 -19.3128 -19.3093 -19.3093 -19.2374 -19.2374 -19.2347 -19.2347 -11.3820 -11.3820 -11.3819 -11.3819 -3.7423 -3.7423 -3.7416 -3.7416 -2.8348 -2.8348 -2.8282 -2.8282 -2.2263 -2.2263 -2.2185 -2.2185 2.2709 2.2709 2.2803 2.2803 2.3869 2.3869 2.3980 2.3980 9.0556 9.0556 9.0614 9.0614 10.8027 10.8031 k = 0.5000-0.0000 0.1073 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3408 -20.3408 -20.3398 -20.3398 -19.4653 -19.4653 -19.4585 -19.4585 -19.3128 -19.3128 -19.3095 -19.3095 -19.2394 -19.2394 -19.2370 -19.2370 -11.3806 -11.3806 -11.3806 -11.3806 -3.7484 -3.7484 -3.7478 -3.7478 -2.8199 -2.8199 -2.8137 -2.8137 -2.2337 -2.2337 -2.2264 -2.2264 2.2746 2.2746 2.2840 2.2840 2.3812 2.3812 2.3922 2.3922 9.0560 9.0560 9.0613 9.0613 10.7739 10.7740 k = 0.5000-0.0000 0.0965 ( 5102 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3389 -20.3389 -20.3379 -20.3379 -19.4655 -19.4655 -19.4593 -19.4593 -19.3129 -19.3129 -19.3097 -19.3097 -19.2412 -19.2412 -19.2390 -19.2390 -11.3793 -11.3793 -11.3793 -11.3793 -3.7541 -3.7541 -3.7535 -3.7535 -2.8056 -2.8056 -2.7997 -2.7997 -2.2410 -2.2410 -2.2341 -2.2341 2.2783 2.2783 2.2877 2.2877 2.3756 2.3756 2.3864 2.3864 9.0564 9.0564 9.0612 9.0612 10.7474 10.7475 k = 0.5000-0.0000 0.0858 ( 5102 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3370 -20.3370 -20.3362 -20.3362 -19.4657 -19.4657 -19.4601 -19.4601 -19.3128 -19.3128 -19.3100 -19.3100 -19.2428 -19.2428 -19.2410 -19.2410 -11.3781 -11.3781 -11.3781 -11.3781 -3.7592 -3.7592 -3.7587 -3.7587 -2.7921 -2.7921 -2.7866 -2.7866 -2.2481 -2.2481 -2.2417 -2.2417 2.2821 2.2821 2.2914 2.2914 2.3701 2.3701 2.3808 2.3808 9.0568 9.0568 9.0612 9.0612 10.7235 10.7235 k = 0.5000-0.0000 0.0751 ( 5102 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3353 -20.3353 -20.3346 -20.3346 -19.4659 -19.4659 -19.4609 -19.4609 -19.3128 -19.3128 -19.3102 -19.3102 -19.2444 -19.2444 -19.2427 -19.2427 -11.3770 -11.3770 -11.3770 -11.3770 -3.7639 -3.7639 -3.7634 -3.7634 -2.7796 -2.7796 -2.7745 -2.7745 -2.2548 -2.2548 -2.2489 -2.2489 2.2858 2.2858 2.2951 2.2951 2.3649 2.3649 2.3753 2.3753 9.0572 9.0572 9.0611 9.0611 10.7022 10.7024 k = 0.5000-0.0000 0.0644 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3338 -20.3338 -20.3332 -20.3332 -19.4660 -19.4660 -19.4616 -19.4616 -19.3128 -19.3128 -19.3105 -19.3105 -19.2457 -19.2457 -19.2443 -19.2443 -11.3761 -11.3761 -11.3760 -11.3760 -3.7679 -3.7679 -3.7675 -3.7675 -2.7681 -2.7681 -2.7636 -2.7636 -2.2609 -2.2609 -2.2557 -2.2557 2.2895 2.2895 2.2986 2.2986 2.3600 2.3600 2.3701 2.3701 9.0576 9.0576 9.0610 9.0610 10.6836 10.6836 k = 0.5000-0.0000 0.0536 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3325 -20.3325 -20.3319 -20.3319 -19.4660 -19.4660 -19.4623 -19.4623 -19.3127 -19.3127 -19.3107 -19.3107 -19.2469 -19.2469 -19.2457 -19.2457 -11.3752 -11.3752 -11.3752 -11.3752 -3.7714 -3.7714 -3.7710 -3.7710 -2.7579 -2.7579 -2.7541 -2.7541 -2.2663 -2.2663 -2.2619 -2.2619 2.2932 2.2932 2.3018 2.3018 2.3556 2.3556 2.3650 2.3650 9.0581 9.0581 9.0609 9.0609 10.6677 10.6677 k = 0.5000-0.0000 0.0429 ( 5102 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3314 -20.3314 -20.3309 -20.3309 -19.4659 -19.4659 -19.4629 -19.4629 -19.3126 -19.3126 -19.3109 -19.3109 -19.2478 -19.2478 -19.2469 -19.2469 -11.3745 -11.3745 -11.3745 -11.3745 -3.7742 -3.7742 -3.7739 -3.7739 -2.7492 -2.7492 -2.7460 -2.7460 -2.2709 -2.2709 -2.2673 -2.2673 2.2968 2.2968 2.3047 2.3047 2.3517 2.3517 2.3603 2.3603 9.0585 9.0585 9.0607 9.0607 10.6546 10.6546 k = 0.5000-0.0000 0.0322 ( 5106 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3305 -20.3305 -20.3301 -20.3301 -19.4658 -19.4658 -19.4636 -19.4636 -19.3124 -19.3124 -19.3112 -19.3112 -19.2485 -19.2485 -19.2478 -19.2478 -11.3740 -11.3740 -11.3739 -11.3739 -3.7765 -3.7765 -3.7763 -3.7763 -2.7422 -2.7422 -2.7397 -2.7397 -2.2746 -2.2746 -2.2718 -2.2718 2.3003 2.3003 2.3071 2.3071 2.3486 2.3486 2.3559 2.3559 9.0588 9.0588 9.0605 9.0605 10.6443 10.6443 k = 0.5000-0.0000 0.0215 ( 5098 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3298 -20.3298 -20.3296 -20.3296 -19.4656 -19.4656 -19.4641 -19.4641 -19.3123 -19.3123 -19.3114 -19.3114 -19.2490 -19.2490 -19.2485 -19.2485 -11.3736 -11.3736 -11.3735 -11.3735 -3.7781 -3.7781 -3.7779 -3.7779 -2.7368 -2.7368 -2.7352 -2.7352 -2.2772 -2.2772 -2.2752 -2.2752 2.3034 2.3034 2.3085 2.3085 2.3467 2.3467 2.3521 2.3521 9.0592 9.0592 9.0603 9.0603 10.6370 10.6370 k = 0.5000-0.0000 0.0107 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3293 -20.3293 -20.3292 -20.3292 -19.4653 -19.4653 -19.4645 -19.4645 -19.3121 -19.3121 -19.3116 -19.3116 -19.2492 -19.2492 -19.2490 -19.2490 -11.3733 -11.3733 -11.3733 -11.3733 -3.7790 -3.7790 -3.7789 -3.7789 -2.7334 -2.7334 -2.7326 -2.7326 -2.2785 -2.2785 -2.2776 -2.2776 2.3061 2.3061 2.3088 2.3088 2.3461 2.3461 2.3490 2.3490 9.0595 9.0595 9.0601 9.0601 10.6326 10.6326 k = 0.5000-0.0000-0.0000 ( 5092 PWs) bands (ev): -47.4299 -47.4299 -47.4299 -47.4299 -20.3292 -20.3292 -20.3292 -20.3292 -19.4650 -19.4650 -19.4650 -19.4650 -19.3118 -19.3118 -19.3118 -19.3118 -19.2492 -19.2492 -19.2492 -19.2492 -11.3732 -11.3732 -11.3732 -11.3732 -3.7793 -3.7793 -3.7793 -3.7793 -2.7320 -2.7320 -2.7320 -2.7320 -2.2787 -2.2787 -2.2787 -2.2787 2.3079 2.3079 2.3079 2.3079 2.3469 2.3469 2.3469 2.3469 9.0599 9.0599 9.0599 9.0599 10.6311 10.6311 k = 0.5000 0.4016-0.0000 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2066 -20.2066 -20.2066 -20.2066 -19.5180 -19.5180 -19.5049 -19.5049 -19.3527 -19.3527 -19.3377 -19.3377 -19.3134 -19.3134 -19.3122 -19.3122 -11.4147 -11.4147 -11.4132 -11.4132 -3.5075 -3.5075 -3.5075 -3.5075 -2.8226 -2.8226 -2.8120 -2.8120 -2.3239 -2.3239 -2.3106 -2.3106 1.9953 1.9953 2.0040 2.0040 2.6969 2.6969 2.7071 2.7071 8.8042 8.8042 8.8117 8.8117 12.3071 12.3085 k = 0.5000 0.4016 0.0107 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2068 -20.2068 -20.2068 -20.2068 -19.5180 -19.5180 -19.5048 -19.5048 -19.3526 -19.3526 -19.3376 -19.3376 -19.3133 -19.3133 -19.3122 -19.3122 -11.4148 -11.4148 -11.4133 -11.4133 -3.5077 -3.5077 -3.5077 -3.5077 -2.8222 -2.8222 -2.8116 -2.8116 -2.3243 -2.3243 -2.3110 -2.3110 1.9957 1.9957 2.0044 2.0044 2.6970 2.6970 2.7072 2.7072 8.8036 8.8036 8.8111 8.8111 12.3054 12.3067 k = 0.5000 0.4016 0.0215 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2073 -20.2073 -20.2073 -20.2073 -19.5177 -19.5177 -19.5047 -19.5047 -19.3523 -19.3523 -19.3376 -19.3376 -19.3130 -19.3130 -19.3120 -19.3120 -11.4150 -11.4150 -11.4135 -11.4135 -3.5081 -3.5081 -3.5081 -3.5081 -2.8210 -2.8210 -2.8105 -2.8105 -2.3256 -2.3256 -2.3123 -2.3123 1.9969 1.9969 2.0057 2.0057 2.6973 2.6973 2.7075 2.7075 8.8017 8.8017 8.8091 8.8091 12.2999 12.3014 k = 0.5000 0.4016 0.0322 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2081 -20.2081 -20.2080 -20.2080 -19.5174 -19.5174 -19.5044 -19.5044 -19.3519 -19.3519 -19.3375 -19.3375 -19.3124 -19.3124 -19.3116 -19.3116 -11.4154 -11.4154 -11.4139 -11.4139 -3.5088 -3.5088 -3.5088 -3.5088 -2.8191 -2.8191 -2.8085 -2.8085 -2.3277 -2.3277 -2.3144 -2.3144 1.9990 1.9990 2.0077 2.0077 2.6979 2.6979 2.7080 2.7080 8.7986 8.7986 8.8059 8.8059 12.2913 12.2926 k = 0.5000 0.4016 0.0429 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2091 -20.2091 -20.2091 -20.2091 -19.5168 -19.5168 -19.5041 -19.5041 -19.3513 -19.3513 -19.3375 -19.3375 -19.3116 -19.3116 -19.3112 -19.3112 -11.4158 -11.4158 -11.4144 -11.4144 -3.5098 -3.5098 -3.5098 -3.5098 -2.8163 -2.8163 -2.8058 -2.8058 -2.3306 -2.3306 -2.3174 -2.3174 2.0019 2.0019 2.0105 2.0105 2.6987 2.6987 2.7086 2.7086 8.7942 8.7942 8.8015 8.8015 12.2797 12.2802 k = 0.5000 0.4016 0.0536 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2105 -20.2105 -20.2105 -20.2105 -19.5162 -19.5162 -19.5037 -19.5037 -19.3506 -19.3506 -19.3374 -19.3374 -19.3107 -19.3107 -19.3106 -19.3106 -11.4165 -11.4165 -11.4150 -11.4150 -3.5111 -3.5111 -3.5110 -3.5110 -2.8129 -2.8129 -2.8024 -2.8024 -2.3343 -2.3343 -2.3211 -2.3211 2.0056 2.0056 2.0141 2.0141 2.6996 2.6996 2.7095 2.7095 8.7888 8.7888 8.7959 8.7959 12.2650 12.2660 k = 0.5000 0.4016 0.0644 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2122 -20.2122 -20.2121 -20.2121 -19.5154 -19.5154 -19.5032 -19.5032 -19.3498 -19.3498 -19.3372 -19.3372 -19.3098 -19.3098 -19.3095 -19.3095 -11.4172 -11.4172 -11.4158 -11.4158 -3.5125 -3.5125 -3.5125 -3.5125 -2.8088 -2.8088 -2.7984 -2.7984 -2.3387 -2.3387 -2.3256 -2.3256 2.0099 2.0099 2.0184 2.0184 2.7008 2.7008 2.7105 2.7105 8.7823 8.7823 8.7893 8.7893 12.2482 12.2492 k = 0.5000 0.4016 0.0751 ( 5120 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2140 -20.2140 -20.2140 -20.2140 -19.5145 -19.5145 -19.5027 -19.5027 -19.3489 -19.3489 -19.3371 -19.3371 -19.3088 -19.3088 -19.3081 -19.3081 -11.4180 -11.4180 -11.4166 -11.4166 -3.5142 -3.5142 -3.5141 -3.5141 -2.8041 -2.8041 -2.7936 -2.7936 -2.3439 -2.3439 -2.3308 -2.3308 2.0150 2.0150 2.0233 2.0233 2.7021 2.7021 2.7117 2.7117 8.7748 8.7748 8.7816 8.7816 12.2295 12.2303 k = 0.5000 0.4016 0.0858 ( 5116 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2161 -20.2161 -20.2161 -20.2161 -19.5135 -19.5135 -19.5021 -19.5021 -19.3479 -19.3479 -19.3370 -19.3370 -19.3077 -19.3077 -19.3066 -19.3066 -11.4190 -11.4190 -11.4176 -11.4176 -3.5160 -3.5160 -3.5159 -3.5159 -2.7987 -2.7987 -2.7883 -2.7883 -2.3497 -2.3497 -2.3367 -2.3367 2.0206 2.0206 2.0288 2.0288 2.7037 2.7037 2.7131 2.7131 8.7664 8.7664 8.7731 8.7731 12.2094 12.2100 k = 0.5000 0.4016 0.0965 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2184 -20.2184 -20.2184 -20.2184 -19.5125 -19.5125 -19.5015 -19.5015 -19.3469 -19.3469 -19.3369 -19.3369 -19.3064 -19.3064 -19.3048 -19.3048 -11.4200 -11.4200 -11.4187 -11.4187 -3.5180 -3.5180 -3.5179 -3.5179 -2.7928 -2.7928 -2.7825 -2.7825 -2.3561 -2.3561 -2.3432 -2.3432 2.0268 2.0268 2.0348 2.0348 2.7054 2.7054 2.7146 2.7146 8.7572 8.7572 8.7637 8.7637 12.1884 12.1886 k = 0.5000 0.4016 0.1073 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2208 -20.2208 -20.2208 -20.2208 -19.5114 -19.5114 -19.5008 -19.5008 -19.3459 -19.3459 -19.3368 -19.3368 -19.3050 -19.3050 -19.3030 -19.3030 -11.4211 -11.4211 -11.4198 -11.4198 -3.5201 -3.5201 -3.5200 -3.5200 -2.7865 -2.7865 -2.7762 -2.7762 -2.3632 -2.3632 -2.3504 -2.3504 2.0335 2.0335 2.0413 2.0413 2.7072 2.7072 2.7162 2.7162 8.7474 8.7474 8.7536 8.7536 12.1667 12.1670 k = 0.5000 0.4016 0.1180 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2234 -20.2234 -20.2234 -20.2234 -19.5103 -19.5103 -19.5002 -19.5002 -19.3449 -19.3449 -19.3367 -19.3367 -19.3034 -19.3034 -19.3010 -19.3010 -11.4223 -11.4223 -11.4210 -11.4210 -3.5222 -3.5222 -3.5221 -3.5221 -2.7797 -2.7797 -2.7694 -2.7694 -2.3707 -2.3707 -2.3580 -2.3580 2.0405 2.0405 2.0481 2.0481 2.7091 2.7091 2.7179 2.7179 8.7370 8.7370 8.7430 8.7430 12.1445 12.1449 k = 0.5000 0.4016 0.1287 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2261 -20.2261 -20.2260 -20.2260 -19.5091 -19.5091 -19.4995 -19.4995 -19.3439 -19.3439 -19.3366 -19.3366 -19.3016 -19.3016 -19.2988 -19.2988 -11.4235 -11.4235 -11.4223 -11.4223 -3.5244 -3.5244 -3.5242 -3.5242 -2.7725 -2.7725 -2.7623 -2.7623 -2.3786 -2.3786 -2.3661 -2.3661 2.0479 2.0479 2.0553 2.0553 2.7112 2.7112 2.7196 2.7196 8.7262 8.7262 8.7320 8.7320 12.1225 12.1228 k = 0.5000 0.4016 0.1395 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2288 -20.2288 -20.2287 -20.2287 -19.5079 -19.5079 -19.4989 -19.4989 -19.3431 -19.3431 -19.3365 -19.3365 -19.2997 -19.2997 -19.2966 -19.2966 -11.4248 -11.4248 -11.4236 -11.4236 -3.5266 -3.5266 -3.5264 -3.5264 -2.7650 -2.7650 -2.7549 -2.7549 -2.3869 -2.3869 -2.3745 -2.3745 2.0555 2.0555 2.0626 2.0626 2.7133 2.7133 2.7214 2.7214 8.7151 8.7151 8.7206 8.7206 12.1007 12.1011 k = 0.5000 0.4016 0.1502 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2315 -20.2315 -20.2315 -20.2315 -19.5067 -19.5067 -19.4983 -19.4983 -19.3422 -19.3422 -19.3365 -19.3365 -19.2976 -19.2976 -19.2943 -19.2943 -11.4261 -11.4261 -11.4250 -11.4250 -3.5288 -3.5288 -3.5286 -3.5286 -2.7573 -2.7573 -2.7473 -2.7473 -2.3955 -2.3955 -2.3833 -2.3833 2.0632 2.0632 2.0700 2.0700 2.7155 2.7155 2.7233 2.7233 8.7039 8.7039 8.7091 8.7091 12.0795 12.0798 k = 0.5000 0.4016 0.1609 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2343 -20.2343 -20.2342 -20.2342 -19.5056 -19.5056 -19.4977 -19.4977 -19.3415 -19.3415 -19.3364 -19.3364 -19.2954 -19.2954 -19.2920 -19.2920 -11.4274 -11.4274 -11.4263 -11.4263 -3.5309 -3.5309 -3.5307 -3.5307 -2.7493 -2.7493 -2.7394 -2.7394 -2.4044 -2.4044 -2.3924 -2.3924 2.0709 2.0709 2.0774 2.0774 2.7177 2.7177 2.7251 2.7251 8.6926 8.6926 8.6975 8.6975 12.0591 12.0592 k = 0.5000 0.4016 0.1716 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2370 -20.2370 -20.2369 -20.2369 -19.5045 -19.5045 -19.4972 -19.4972 -19.3408 -19.3408 -19.3364 -19.3364 -19.2932 -19.2932 -19.2898 -19.2898 -11.4287 -11.4287 -11.4277 -11.4277 -3.5330 -3.5330 -3.5328 -3.5328 -2.7413 -2.7413 -2.7315 -2.7315 -2.4133 -2.4133 -2.4016 -2.4016 2.0787 2.0787 2.0848 2.0848 2.7199 2.7199 2.7269 2.7269 8.6815 8.6815 8.6861 8.6861 12.0394 12.0395 k = 0.5000 0.4016 0.1824 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2396 -20.2396 -20.2395 -20.2395 -19.5034 -19.5034 -19.4967 -19.4967 -19.3402 -19.3402 -19.3364 -19.3364 -19.2909 -19.2909 -19.2875 -19.2875 -11.4299 -11.4299 -11.4290 -11.4290 -3.5350 -3.5350 -3.5347 -3.5347 -2.7331 -2.7331 -2.7235 -2.7235 -2.4224 -2.4224 -2.4109 -2.4109 2.0862 2.0862 2.0920 2.0920 2.7221 2.7221 2.7287 2.7287 8.6706 8.6706 8.6749 8.6749 12.0207 12.0209 k = 0.5000 0.4016 0.1931 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2421 -20.2421 -20.2421 -20.2421 -19.5024 -19.5024 -19.4962 -19.4962 -19.3396 -19.3396 -19.3363 -19.3363 -19.2886 -19.2886 -19.2853 -19.2853 -11.4312 -11.4312 -11.4303 -11.4303 -3.5368 -3.5368 -3.5366 -3.5366 -2.7250 -2.7250 -2.7156 -2.7156 -2.4313 -2.4313 -2.4202 -2.4202 2.0936 2.0936 2.0990 2.0990 2.7243 2.7243 2.7304 2.7304 8.6601 8.6601 8.6640 8.6640 12.0033 12.0034 k = 0.5000 0.4016 0.2038 ( 5096 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2445 -20.2445 -20.2445 -20.2445 -19.5014 -19.5014 -19.4958 -19.4958 -19.3391 -19.3391 -19.3363 -19.3363 -19.2864 -19.2864 -19.2832 -19.2832 -11.4323 -11.4323 -11.4315 -11.4315 -3.5385 -3.5385 -3.5383 -3.5383 -2.7169 -2.7169 -2.7078 -2.7078 -2.4402 -2.4402 -2.4294 -2.4294 2.1007 2.1007 2.1057 2.1057 2.7264 2.7264 2.7321 2.7321 8.6500 8.6500 8.6536 8.6536 11.9870 11.9871 k = 0.5000 0.4016 0.2146 ( 5100 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2468 -20.2468 -20.2467 -20.2467 -19.5004 -19.5004 -19.4954 -19.4954 -19.3387 -19.3387 -19.3363 -19.3363 -19.2842 -19.2842 -19.2813 -19.2813 -11.4334 -11.4334 -11.4327 -11.4327 -3.5401 -3.5401 -3.5399 -3.5399 -2.7090 -2.7090 -2.7002 -2.7002 -2.4488 -2.4488 -2.4385 -2.4385 2.1074 2.1074 2.1119 2.1119 2.7284 2.7284 2.7336 2.7336 8.6406 8.6406 8.6438 8.6438 11.9721 11.9721 k = 0.5000 0.4016 0.2253 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2489 -20.2489 -20.2488 -20.2488 -19.4996 -19.4996 -19.4952 -19.4952 -19.3384 -19.3384 -19.3363 -19.3363 -19.2822 -19.2822 -19.2795 -19.2795 -11.4344 -11.4344 -11.4338 -11.4338 -3.5416 -3.5416 -3.5414 -3.5414 -2.7012 -2.7012 -2.6928 -2.6928 -2.4571 -2.4571 -2.4473 -2.4473 2.1136 2.1136 2.1177 2.1177 2.7302 2.7302 2.7349 2.7349 8.6318 8.6318 8.6347 8.6347 11.9585 11.9585 k = 0.5000 0.4016 0.2360 ( 5108 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2508 -20.2508 -20.2507 -20.2507 -19.4988 -19.4988 -19.4949 -19.4949 -19.3380 -19.3380 -19.3363 -19.3363 -19.2803 -19.2803 -19.2778 -19.2778 -11.4354 -11.4354 -11.4348 -11.4348 -3.5429 -3.5429 -3.5427 -3.5427 -2.6938 -2.6938 -2.6859 -2.6859 -2.4649 -2.4649 -2.4558 -2.4558 2.1193 2.1193 2.1229 2.1229 2.7320 2.7320 2.7362 2.7362 8.6239 8.6239 8.6265 8.6265 11.9464 11.9465 k = 0.5000 0.4016 0.2467 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2525 -20.2525 -20.2524 -20.2524 -19.4981 -19.4981 -19.4948 -19.4948 -19.3378 -19.3378 -19.3364 -19.3364 -19.2786 -19.2786 -19.2764 -19.2764 -11.4362 -11.4362 -11.4357 -11.4357 -3.5440 -3.5440 -3.5439 -3.5439 -2.6868 -2.6868 -2.6796 -2.6796 -2.4720 -2.4720 -2.4637 -2.4637 2.1244 2.1244 2.1276 2.1276 2.7336 2.7336 2.7372 2.7372 8.6169 8.6169 8.6191 8.6191 11.9358 11.9359 k = 0.5000 0.4016 0.2575 ( 5104 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2539 -20.2539 -20.2539 -20.2539 -19.4974 -19.4974 -19.4946 -19.4946 -19.3375 -19.3375 -19.3364 -19.3364 -19.2770 -19.2770 -19.2751 -19.2751 -11.4369 -11.4369 -11.4365 -11.4365 -3.5450 -3.5450 -3.5448 -3.5448 -2.6804 -2.6804 -2.6739 -2.6739 -2.4783 -2.4783 -2.4710 -2.4710 2.1289 2.1289 2.1315 2.1315 2.7351 2.7351 2.7381 2.7381 8.6108 8.6108 8.6127 8.6127 11.9268 11.9268 k = 0.5000 0.4016 0.2682 ( 5112 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2551 -20.2551 -20.2551 -20.2551 -19.4968 -19.4968 -19.4946 -19.4946 -19.3373 -19.3373 -19.3365 -19.3365 -19.2757 -19.2757 -19.2742 -19.2742 -11.4375 -11.4375 -11.4372 -11.4372 -3.5458 -3.5458 -3.5457 -3.5457 -2.6746 -2.6746 -2.6691 -2.6691 -2.4837 -2.4837 -2.4775 -2.4775 2.1326 2.1326 2.1348 2.1348 2.7363 2.7363 2.7388 2.7388 8.6058 8.6058 8.6073 8.6073 11.9194 11.9194 k = 0.5000 0.4016 0.2789 ( 5116 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2561 -20.2561 -20.2561 -20.2561 -19.4963 -19.4963 -19.4947 -19.4947 -19.3372 -19.3372 -19.3365 -19.3365 -19.2746 -19.2746 -19.2734 -19.2734 -11.4379 -11.4379 -11.4377 -11.4377 -3.5464 -3.5464 -3.5463 -3.5463 -2.6697 -2.6697 -2.6653 -2.6653 -2.4879 -2.4879 -2.4831 -2.4831 2.1357 2.1357 2.1373 2.1373 2.7374 2.7374 2.7392 2.7392 8.6019 8.6019 8.6030 8.6030 11.9136 11.9136 k = 0.5000 0.4016 0.2896 ( 5124 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2568 -20.2568 -20.2567 -20.2567 -19.4959 -19.4959 -19.4948 -19.4948 -19.3370 -19.3370 -19.3366 -19.3366 -19.2738 -19.2738 -19.2730 -19.2730 -11.4382 -11.4382 -11.4381 -11.4381 -3.5468 -3.5468 -3.5468 -3.5468 -2.6658 -2.6658 -2.6627 -2.6627 -2.4908 -2.4908 -2.4875 -2.4875 2.1379 2.1379 2.1390 2.1390 2.7383 2.7383 2.7395 2.7395 8.5991 8.5991 8.5998 8.5998 11.9094 11.9094 k = 0.5000 0.4016 0.3004 ( 5116 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2572 -20.2572 -20.2572 -20.2572 -19.4955 -19.4955 -19.4949 -19.4949 -19.3369 -19.3369 -19.3367 -19.3367 -19.2731 -19.2731 -19.2727 -19.2727 -11.4384 -11.4384 -11.4383 -11.4383 -3.5471 -3.5471 -3.5470 -3.5470 -2.6630 -2.6630 -2.6614 -2.6614 -2.4923 -2.4923 -2.4905 -2.4905 2.1394 2.1394 2.1399 2.1399 2.7389 2.7389 2.7395 2.7395 8.5975 8.5975 8.5979 8.5979 11.9069 11.9069 k = 0.5000 0.4016 0.3111 ( 5128 PWs) bands (ev): -47.4298 -47.4298 -47.4298 -47.4298 -20.2573 -20.2573 -20.2573 -20.2573 -19.4952 -19.4952 -19.4952 -19.4952 -19.3368 -19.3368 -19.3368 -19.3368 -19.2728 -19.2728 -19.2728 -19.2728 -11.4385 -11.4385 -11.4385 -11.4385 -3.5472 -3.5472 -3.5472 -3.5472 -2.6616 -2.6616 -2.6616 -2.6616 -2.4922 -2.4922 -2.4922 -2.4922 2.1400 2.1400 2.1400 2.1400 2.7393 2.7393 2.7393 2.7393 8.5971 8.5971 8.5971 8.5971 11.9061 11.9061 Writing output data file NaO2.save init_run : 0.27s CPU 0.54s WALL ( 1 calls) electrons : 609.52s CPU 617.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 609.51s CPU 617.71s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 460 calls) cegterg : 588.70s CPU 596.32s WALL ( 1565 calls) Called by sum_band: Called by *egterg: h_psi : 333.43s CPU 347.78s WALL ( 31458 calls) s_psi : 10.25s CPU 11.14s WALL ( 31458 calls) g_psi : 0.82s CPU 0.95s WALL ( 29433 calls) cdiaghg : 186.55s CPU 175.75s WALL ( 29893 calls) cegterg:over : 27.93s CPU 27.13s WALL ( 29433 calls) cegterg:upda : 9.94s CPU 16.74s WALL ( 29433 calls) cegterg:last : 9.55s CPU 11.03s WALL ( 3303 calls) Called by h_psi: h_psi:vloc : 315.39s CPU 323.22s WALL ( 31458 calls) h_psi:vnl : 17.82s CPU 23.90s WALL ( 31458 calls) add_vuspsi : 4.89s CPU 9.17s WALL ( 31458 calls) General routines calbec : 12.90s CPU 14.66s WALL ( 31458 calls) fft : 0.03s CPU 0.08s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 312.46s CPU 312.42s WALL ( 1938308 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.07s CPU 0.17s WALL ( 920 calls) Parallel routines fft_scatter : 288.34s CPU 219.20s WALL ( 1938331 calls) PWSCF : 10m45.37s CPU 11m 8.58s WALL This run was terminated on: 16:42:32 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=