Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:59:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfSi2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 40 12 1342 814 133 Max 57 41 14 1345 837 136 Sum 2021 1463 437 48355 29717 4865 bravais-lattice index = 14 lattice parameter (alat) = 14.1304 a.u. unit-cell volume = 660.2820 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.130365 celldm(2)= 1.000000 celldm(3)= 0.488133 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.877577 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.877577 0.479436 0.000000 ) a(3) = ( 0.000000 0.000000 0.488133 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.830434 -0.000000 ) b(2) = ( 0.000000 2.085782 -0.000000 ) b(3) = ( 0.000000 0.000000 2.048621 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2440666 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2440666 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0057891 0.0226716 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0115783 0.0453431 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0173674 0.0680147 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0231566 0.0906862 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0289457 0.1133577 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0347349 0.1360293 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0405240 0.1587008 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0463132 0.1813724 -0.0000000), wk = 0.0023364 k( 10) = ( 0.0521023 0.2040439 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0578915 0.2267155 -0.0000000), wk = 0.0023364 k( 12) = ( 0.0636806 0.2493870 -0.0000000), wk = 0.0023364 k( 13) = ( 0.0694697 0.2720586 -0.0000000), wk = 0.0023364 k( 14) = ( 0.0752589 0.2947301 -0.0000000), wk = 0.0023364 k( 15) = ( 0.0810480 0.3174016 -0.0000000), wk = 0.0023364 k( 16) = ( 0.0868372 0.3400732 -0.0000000), wk = 0.0023364 k( 17) = ( 0.0926263 0.3627448 -0.0000000), wk = 0.0023364 k( 18) = ( 0.0984155 0.3854163 -0.0000000), wk = 0.0023364 k( 19) = ( 0.1042046 0.4080879 -0.0000000), wk = 0.0023364 k( 20) = ( 0.1099938 0.4307594 -0.0000000), wk = 0.0023364 k( 21) = ( 0.1157829 0.4534309 -0.0000000), wk = 0.0023364 k( 22) = ( 0.1215721 0.4761025 -0.0000000), wk = 0.0023364 k( 23) = ( 0.1273612 0.4987740 -0.0000000), wk = 0.0023364 k( 24) = ( 0.1331504 0.5214456 -0.0000000), wk = 0.0023364 k( 25) = ( 0.1389395 0.5441171 -0.0000000), wk = 0.0023364 k( 26) = ( 0.1447286 0.5667887 -0.0000000), wk = 0.0023364 k( 27) = ( 0.1505178 0.5894602 -0.0000000), wk = 0.0023364 k( 28) = ( 0.1563069 0.6121318 -0.0000000), wk = 0.0023364 k( 29) = ( 0.1620961 0.6348033 -0.0000000), wk = 0.0023364 k( 30) = ( 0.1678852 0.6574749 -0.0000000), wk = 0.0023364 k( 31) = ( 0.1736744 0.6801464 -0.0000000), wk = 0.0023364 k( 32) = ( 0.1794635 0.7028180 -0.0000000), wk = 0.0023364 k( 33) = ( 0.1852527 0.7254895 -0.0000000), wk = 0.0023364 k( 34) = ( 0.1910418 0.7481611 -0.0000000), wk = 0.0023364 k( 35) = ( 0.1968310 0.7708326 -0.0000000), wk = 0.0023364 k( 36) = ( 0.2026201 0.7935042 -0.0000000), wk = 0.0023364 k( 37) = ( 0.2084093 0.8161757 -0.0000000), wk = 0.0023364 k( 38) = ( 0.2141984 0.8388472 -0.0000000), wk = 0.0023364 k( 39) = ( 0.2199876 0.8615188 -0.0000000), wk = 0.0023364 k( 40) = ( 0.2257767 0.8841903 -0.0000000), wk = 0.0023364 k( 41) = ( 0.2315658 0.9068619 -0.0000000), wk = 0.0023364 k( 42) = ( 0.2373550 0.9295335 -0.0000000), wk = 0.0023364 k( 43) = ( 0.2431441 0.9522050 -0.0000000), wk = 0.0023364 k( 44) = ( 0.2489333 0.9748765 -0.0000000), wk = 0.0023364 k( 45) = ( 0.2547224 0.9975481 -0.0000000), wk = 0.0023364 k( 46) = ( 0.2605116 1.0202196 -0.0000000), wk = 0.0023364 k( 47) = ( 0.2663007 1.0428912 -0.0000000), wk = 0.0023364 k( 48) = ( 0.2663007 1.0428912 -0.0000000), wk = 0.0023364 k( 49) = ( 0.2441090 1.0428912 -0.0000000), wk = 0.0023364 k( 50) = ( 0.2219173 1.0428912 -0.0000000), wk = 0.0023364 k( 51) = ( 0.1997255 1.0428912 -0.0000000), wk = 0.0023364 k( 52) = ( 0.1775338 1.0428912 -0.0000000), wk = 0.0023364 k( 53) = ( 0.1553421 1.0428912 -0.0000000), wk = 0.0023364 k( 54) = ( 0.1331504 1.0428912 -0.0000000), wk = 0.0023364 k( 55) = ( 0.1109586 1.0428912 -0.0000000), wk = 0.0023364 k( 56) = ( 0.0887669 1.0428912 -0.0000000), wk = 0.0023364 k( 57) = ( 0.0665752 1.0428912 -0.0000000), wk = 0.0023364 k( 58) = ( 0.0443834 1.0428912 -0.0000000), wk = 0.0023364 k( 59) = ( 0.0221917 1.0428912 -0.0000000), wk = 0.0023364 k( 60) = ( 0.0000000 1.0428912 -0.0000000), wk = 0.0023364 k( 61) = ( 0.0000000 1.0428912 -0.0000000), wk = 0.0023364 k( 62) = ( 0.0000000 1.0428912 0.0232798), wk = 0.0023364 k( 63) = ( 0.0000000 1.0428912 0.0465596), wk = 0.0023364 k( 64) = ( 0.0000000 1.0428912 0.0698394), wk = 0.0023364 k( 65) = ( 0.0000000 1.0428912 0.0931192), wk = 0.0023364 k( 66) = ( 0.0000000 1.0428912 0.1163989), wk = 0.0023364 k( 67) = ( 0.0000000 1.0428912 0.1396787), wk = 0.0023364 k( 68) = ( 0.0000000 1.0428912 0.1629585), wk = 0.0023364 k( 69) = ( 0.0000000 1.0428912 0.1862383), wk = 0.0023364 k( 70) = ( 0.0000000 1.0428912 0.2095181), wk = 0.0023364 k( 71) = ( 0.0000000 1.0428912 0.2327979), wk = 0.0023364 k( 72) = ( 0.0000000 1.0428912 0.2560777), wk = 0.0023364 k( 73) = ( 0.0000000 1.0428912 0.2793575), wk = 0.0023364 k( 74) = ( 0.0000000 1.0428912 0.3026372), wk = 0.0023364 k( 75) = ( 0.0000000 1.0428912 0.3259170), wk = 0.0023364 k( 76) = ( 0.0000000 1.0428912 0.3491968), wk = 0.0023364 k( 77) = ( 0.0000000 1.0428912 0.3724766), wk = 0.0023364 k( 78) = ( 0.0000000 1.0428912 0.3957564), wk = 0.0023364 k( 79) = ( 0.0000000 1.0428912 0.4190362), wk = 0.0023364 k( 80) = ( 0.0000000 1.0428912 0.4423160), wk = 0.0023364 k( 81) = ( 0.0000000 1.0428912 0.4655958), wk = 0.0023364 k( 82) = ( 0.0000000 1.0428912 0.4888755), wk = 0.0023364 k( 83) = ( 0.0000000 1.0428912 0.5121553), wk = 0.0023364 k( 84) = ( 0.0000000 1.0428912 0.5354351), wk = 0.0023364 k( 85) = ( 0.0000000 1.0428912 0.5587149), wk = 0.0023364 k( 86) = ( 0.0000000 1.0428912 0.5819947), wk = 0.0023364 k( 87) = ( 0.0000000 1.0428912 0.6052745), wk = 0.0023364 k( 88) = ( 0.0000000 1.0428912 0.6285543), wk = 0.0023364 k( 89) = ( 0.0000000 1.0428912 0.6518341), wk = 0.0023364 k( 90) = ( 0.0000000 1.0428912 0.6751138), wk = 0.0023364 k( 91) = ( 0.0000000 1.0428912 0.6983936), wk = 0.0023364 k( 92) = ( 0.0000000 1.0428912 0.7216734), wk = 0.0023364 k( 93) = ( 0.0000000 1.0428912 0.7449532), wk = 0.0023364 k( 94) = ( 0.0000000 1.0428912 0.7682330), wk = 0.0023364 k( 95) = ( 0.0000000 1.0428912 0.7915128), wk = 0.0023364 k( 96) = ( 0.0000000 1.0428912 0.8147926), wk = 0.0023364 k( 97) = ( 0.0000000 1.0428912 0.8380724), wk = 0.0023364 k( 98) = ( 0.0000000 1.0428912 0.8613522), wk = 0.0023364 k( 99) = ( 0.0000000 1.0428912 0.8846319), wk = 0.0023364 k( 100) = ( 0.0000000 1.0428912 0.9079117), wk = 0.0023364 k( 101) = ( 0.0000000 1.0428912 0.9311915), wk = 0.0023364 k( 102) = ( 0.0000000 1.0428912 0.9544713), wk = 0.0023364 k( 103) = ( 0.0000000 1.0428912 0.9777511), wk = 0.0023364 k( 104) = ( 0.0000000 1.0428912 1.0010309), wk = 0.0023364 k( 105) = ( 0.0000000 1.0428912 1.0243107), wk = 0.0023364 k( 106) = ( 0.0000000 1.0428912 1.0243107), wk = 0.0023364 k( 107) = ( 0.0221917 1.0428912 1.0243107), wk = 0.0023364 k( 108) = ( 0.0443834 1.0428912 1.0243107), wk = 0.0023364 k( 109) = ( 0.0665752 1.0428912 1.0243107), wk = 0.0023364 k( 110) = ( 0.0887669 1.0428912 1.0243107), wk = 0.0023364 k( 111) = ( 0.1109586 1.0428912 1.0243107), wk = 0.0023364 k( 112) = ( 0.1331504 1.0428912 1.0243107), wk = 0.0023364 k( 113) = ( 0.1553421 1.0428912 1.0243107), wk = 0.0023364 k( 114) = ( 0.1775338 1.0428912 1.0243107), wk = 0.0023364 k( 115) = ( 0.1997255 1.0428912 1.0243107), wk = 0.0023364 k( 116) = ( 0.2219173 1.0428912 1.0243107), wk = 0.0023364 k( 117) = ( 0.2441090 1.0428912 1.0243107), wk = 0.0023364 k( 118) = ( 0.2663007 1.0428912 1.0243107), wk = 0.0023364 k( 119) = ( 0.2663007 1.0428912 1.0243107), wk = 0.0023364 k( 120) = ( 0.2605116 1.0202196 1.0243107), wk = 0.0023364 k( 121) = ( 0.2547224 0.9975481 1.0243107), wk = 0.0023364 k( 122) = ( 0.2489333 0.9748765 1.0243107), wk = 0.0023364 k( 123) = ( 0.2431441 0.9522050 1.0243107), wk = 0.0023364 k( 124) = ( 0.2373550 0.9295335 1.0243107), wk = 0.0023364 k( 125) = ( 0.2315658 0.9068619 1.0243107), wk = 0.0023364 k( 126) = ( 0.2257767 0.8841903 1.0243107), wk = 0.0023364 k( 127) = ( 0.2199876 0.8615188 1.0243107), wk = 0.0023364 k( 128) = ( 0.2141984 0.8388472 1.0243107), wk = 0.0023364 k( 129) = ( 0.2084093 0.8161757 1.0243107), wk = 0.0023364 k( 130) = ( 0.2026201 0.7935042 1.0243107), wk = 0.0023364 k( 131) = ( 0.1968310 0.7708326 1.0243107), wk = 0.0023364 k( 132) = ( 0.1910418 0.7481611 1.0243107), wk = 0.0023364 k( 133) = ( 0.1852527 0.7254895 1.0243107), wk = 0.0023364 k( 134) = ( 0.1794635 0.7028180 1.0243107), wk = 0.0023364 k( 135) = ( 0.1736744 0.6801464 1.0243107), wk = 0.0023364 k( 136) = ( 0.1678852 0.6574749 1.0243107), wk = 0.0023364 k( 137) = ( 0.1620961 0.6348033 1.0243107), wk = 0.0023364 k( 138) = ( 0.1563069 0.6121318 1.0243107), wk = 0.0023364 k( 139) = ( 0.1505178 0.5894602 1.0243107), wk = 0.0023364 k( 140) = ( 0.1447286 0.5667887 1.0243107), wk = 0.0023364 k( 141) = ( 0.1389395 0.5441171 1.0243107), wk = 0.0023364 k( 142) = ( 0.1331504 0.5214456 1.0243107), wk = 0.0023364 k( 143) = ( 0.1273612 0.4987740 1.0243107), wk = 0.0023364 k( 144) = ( 0.1215721 0.4761025 1.0243107), wk = 0.0023364 k( 145) = ( 0.1157829 0.4534309 1.0243107), wk = 0.0023364 k( 146) = ( 0.1099938 0.4307594 1.0243107), wk = 0.0023364 k( 147) = ( 0.1042046 0.4080879 1.0243107), wk = 0.0023364 k( 148) = ( 0.0984155 0.3854163 1.0243107), wk = 0.0023364 k( 149) = ( 0.0926263 0.3627448 1.0243107), wk = 0.0023364 k( 150) = ( 0.0868372 0.3400732 1.0243107), wk = 0.0023364 k( 151) = ( 0.0810480 0.3174016 1.0243107), wk = 0.0023364 k( 152) = ( 0.0752589 0.2947301 1.0243107), wk = 0.0023364 k( 153) = ( 0.0694697 0.2720586 1.0243107), wk = 0.0023364 k( 154) = ( 0.0636806 0.2493870 1.0243107), wk = 0.0023364 k( 155) = ( 0.0578915 0.2267155 1.0243107), wk = 0.0023364 k( 156) = ( 0.0521023 0.2040439 1.0243107), wk = 0.0023364 k( 157) = ( 0.0463132 0.1813724 1.0243107), wk = 0.0023364 k( 158) = ( 0.0405240 0.1587008 1.0243107), wk = 0.0023364 k( 159) = ( 0.0347349 0.1360293 1.0243107), wk = 0.0023364 k( 160) = ( 0.0289457 0.1133577 1.0243107), wk = 0.0023364 k( 161) = ( 0.0231566 0.0906862 1.0243107), wk = 0.0023364 k( 162) = ( 0.0173674 0.0680147 1.0243107), wk = 0.0023364 k( 163) = ( 0.0115783 0.0453431 1.0243107), wk = 0.0023364 k( 164) = ( 0.0057891 0.0226716 1.0243107), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 1.0243107), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 1.0243107), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 1.0010309), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.9777511), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.9544713), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.9311915), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.9079117), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.8846319), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.8613522), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.8380724), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.8147926), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.7915128), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.7682330), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.7449532), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.7216734), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.6983936), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.6751138), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.6518341), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.6285543), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.6052745), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.5819947), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.5587149), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.5354351), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.5121553), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.4888755), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.4655958), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.4423160), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.4190362), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.3957564), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.3724766), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.3491968), wk = 0.0023364 k( 196) = ( 0.0000000 0.0000000 0.3259170), wk = 0.0023364 k( 197) = ( 0.0000000 0.0000000 0.3026372), wk = 0.0023364 k( 198) = ( 0.0000000 0.0000000 0.2793575), wk = 0.0023364 k( 199) = ( 0.0000000 0.0000000 0.2560777), wk = 0.0023364 k( 200) = ( 0.0000000 0.0000000 0.2327979), wk = 0.0023364 k( 201) = ( 0.0000000 0.0000000 0.2095181), wk = 0.0023364 k( 202) = ( 0.0000000 0.0000000 0.1862383), wk = 0.0023364 k( 203) = ( 0.0000000 0.0000000 0.1629585), wk = 0.0023364 k( 204) = ( 0.0000000 0.0000000 0.1396787), wk = 0.0023364 k( 205) = ( 0.0000000 0.0000000 0.1163989), wk = 0.0023364 k( 206) = ( 0.0000000 0.0000000 0.0931192), wk = 0.0023364 k( 207) = ( 0.0000000 0.0000000 0.0698394), wk = 0.0023364 k( 208) = ( 0.0000000 0.0000000 0.0465596), wk = 0.0023364 k( 209) = ( 0.0000000 0.0000000 0.0232798), wk = 0.0023364 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 212) = ( -0.0227273 0.0058034 -0.0000000), wk = 0.0023364 k( 213) = ( -0.0454546 0.0116068 -0.0000000), wk = 0.0023364 k( 214) = ( -0.0681818 0.0174101 -0.0000000), wk = 0.0023364 k( 215) = ( -0.0909091 0.0232135 -0.0000000), wk = 0.0023364 k( 216) = ( -0.1136364 0.0290169 -0.0000000), wk = 0.0023364 k( 217) = ( -0.1363636 0.0348203 -0.0000000), wk = 0.0023364 k( 218) = ( -0.1590909 0.0406236 -0.0000000), wk = 0.0023364 k( 219) = ( -0.1818182 0.0464270 -0.0000000), wk = 0.0023364 k( 220) = ( -0.2045454 0.0522304 -0.0000000), wk = 0.0023364 k( 221) = ( -0.2272727 0.0580338 -0.0000000), wk = 0.0023364 k( 222) = ( -0.2500000 0.0638371 -0.0000000), wk = 0.0023364 k( 223) = ( -0.2727273 0.0696405 -0.0000000), wk = 0.0023364 k( 224) = ( -0.2954545 0.0754439 -0.0000000), wk = 0.0023364 k( 225) = ( -0.3181818 0.0812473 -0.0000000), wk = 0.0023364 k( 226) = ( -0.3409091 0.0870506 -0.0000000), wk = 0.0023364 k( 227) = ( -0.3636364 0.0928540 -0.0000000), wk = 0.0023364 k( 228) = ( -0.3863636 0.0986574 -0.0000000), wk = 0.0023364 k( 229) = ( -0.4090909 0.1044608 -0.0000000), wk = 0.0023364 k( 230) = ( -0.4318182 0.1102641 -0.0000000), wk = 0.0023364 k( 231) = ( -0.4545455 0.1160675 -0.0000000), wk = 0.0023364 k( 232) = ( -0.4772727 0.1218709 -0.0000000), wk = 0.0023364 k( 233) = ( -0.5000000 0.1276743 -0.0000000), wk = 0.0023364 k( 234) = ( -0.5000000 0.1276743 -0.0000000), wk = 0.0023364 k( 235) = ( -0.4941575 0.1505547 -0.0000000), wk = 0.0023364 k( 236) = ( -0.4883150 0.1734351 -0.0000000), wk = 0.0023364 k( 237) = ( -0.4824726 0.1963155 -0.0000000), wk = 0.0023364 k( 238) = ( -0.4766301 0.2191960 -0.0000000), wk = 0.0023364 k( 239) = ( -0.4707876 0.2420764 -0.0000000), wk = 0.0023364 k( 240) = ( -0.4649451 0.2649568 -0.0000000), wk = 0.0023364 k( 241) = ( -0.4591026 0.2878372 -0.0000000), wk = 0.0023364 k( 242) = ( -0.4532601 0.3107177 -0.0000000), wk = 0.0023364 k( 243) = ( -0.4474177 0.3335981 -0.0000000), wk = 0.0023364 k( 244) = ( -0.4415752 0.3564785 -0.0000000), wk = 0.0023364 k( 245) = ( -0.4357327 0.3793589 -0.0000000), wk = 0.0023364 k( 246) = ( -0.4298902 0.4022394 -0.0000000), wk = 0.0023364 k( 247) = ( -0.4240477 0.4251198 -0.0000000), wk = 0.0023364 k( 248) = ( -0.4182052 0.4480002 -0.0000000), wk = 0.0023364 k( 249) = ( -0.4123628 0.4708806 -0.0000000), wk = 0.0023364 k( 250) = ( -0.4065203 0.4937610 -0.0000000), wk = 0.0023364 k( 251) = ( -0.4006778 0.5166415 -0.0000000), wk = 0.0023364 k( 252) = ( -0.3948353 0.5395219 -0.0000000), wk = 0.0023364 k( 253) = ( -0.3889928 0.5624023 -0.0000000), wk = 0.0023364 k( 254) = ( -0.3831504 0.5852827 -0.0000000), wk = 0.0023364 k( 255) = ( -0.3773079 0.6081631 -0.0000000), wk = 0.0023364 k( 256) = ( -0.3714654 0.6310436 -0.0000000), wk = 0.0023364 k( 257) = ( -0.3656229 0.6539240 -0.0000000), wk = 0.0023364 k( 258) = ( -0.3597804 0.6768044 -0.0000000), wk = 0.0023364 k( 259) = ( -0.3539380 0.6996848 -0.0000000), wk = 0.0023364 k( 260) = ( -0.3480955 0.7225652 -0.0000000), wk = 0.0023364 k( 261) = ( -0.3422530 0.7454457 -0.0000000), wk = 0.0023364 k( 262) = ( -0.3364105 0.7683261 -0.0000000), wk = 0.0023364 k( 263) = ( -0.3305680 0.7912065 -0.0000000), wk = 0.0023364 k( 264) = ( -0.3247255 0.8140869 -0.0000000), wk = 0.0023364 k( 265) = ( -0.3188831 0.8369674 -0.0000000), wk = 0.0023364 k( 266) = ( -0.3130406 0.8598478 -0.0000000), wk = 0.0023364 k( 267) = ( -0.3071981 0.8827282 -0.0000000), wk = 0.0023364 k( 268) = ( -0.3013556 0.9056086 -0.0000000), wk = 0.0023364 k( 269) = ( -0.2955131 0.9284891 -0.0000000), wk = 0.0023364 k( 270) = ( -0.2896706 0.9513695 -0.0000000), wk = 0.0023364 k( 271) = ( -0.2838282 0.9742499 -0.0000000), wk = 0.0023364 k( 272) = ( -0.2779857 0.9971303 -0.0000000), wk = 0.0023364 k( 273) = ( -0.2721432 1.0200108 -0.0000000), wk = 0.0023364 k( 274) = ( -0.2663007 1.0428912 -0.0000000), wk = 0.0023364 k( 275) = ( -0.2663007 1.0428912 -0.0000000), wk = 0.0023364 k( 276) = ( -0.2663007 1.0428912 0.0232798), wk = 0.0023364 k( 277) = ( -0.2663007 1.0428912 0.0465596), wk = 0.0023364 k( 278) = ( -0.2663007 1.0428912 0.0698394), wk = 0.0023364 k( 279) = ( -0.2663007 1.0428912 0.0931192), wk = 0.0023364 k( 280) = ( -0.2663007 1.0428912 0.1163989), wk = 0.0023364 k( 281) = ( -0.2663007 1.0428912 0.1396787), wk = 0.0023364 k( 282) = ( -0.2663007 1.0428912 0.1629585), wk = 0.0023364 k( 283) = ( -0.2663007 1.0428912 0.1862383), wk = 0.0023364 k( 284) = ( -0.2663007 1.0428912 0.2095181), wk = 0.0023364 k( 285) = ( -0.2663007 1.0428912 0.2327979), wk = 0.0023364 k( 286) = ( -0.2663007 1.0428912 0.2560777), wk = 0.0023364 k( 287) = ( -0.2663007 1.0428912 0.2793575), wk = 0.0023364 k( 288) = ( -0.2663007 1.0428912 0.3026372), wk = 0.0023364 k( 289) = ( -0.2663007 1.0428912 0.3259170), wk = 0.0023364 k( 290) = ( -0.2663007 1.0428912 0.3491968), wk = 0.0023364 k( 291) = ( -0.2663007 1.0428912 0.3724766), wk = 0.0023364 k( 292) = ( -0.2663007 1.0428912 0.3957564), wk = 0.0023364 k( 293) = ( -0.2663007 1.0428912 0.4190362), wk = 0.0023364 k( 294) = ( -0.2663007 1.0428912 0.4423160), wk = 0.0023364 k( 295) = ( -0.2663007 1.0428912 0.4655958), wk = 0.0023364 k( 296) = ( -0.2663007 1.0428912 0.4888755), wk = 0.0023364 k( 297) = ( -0.2663007 1.0428912 0.5121553), wk = 0.0023364 k( 298) = ( -0.2663007 1.0428912 0.5354351), wk = 0.0023364 k( 299) = ( -0.2663007 1.0428912 0.5587149), wk = 0.0023364 k( 300) = ( -0.2663007 1.0428912 0.5819947), wk = 0.0023364 k( 301) = ( -0.2663007 1.0428912 0.6052745), wk = 0.0023364 k( 302) = ( -0.2663007 1.0428912 0.6285543), wk = 0.0023364 k( 303) = ( -0.2663007 1.0428912 0.6518341), wk = 0.0023364 k( 304) = ( -0.2663007 1.0428912 0.6751138), wk = 0.0023364 k( 305) = ( -0.2663007 1.0428912 0.6983936), wk = 0.0023364 k( 306) = ( -0.2663007 1.0428912 0.7216734), wk = 0.0023364 k( 307) = ( -0.2663007 1.0428912 0.7449532), wk = 0.0023364 k( 308) = ( -0.2663007 1.0428912 0.7682330), wk = 0.0023364 k( 309) = ( -0.2663007 1.0428912 0.7915128), wk = 0.0023364 k( 310) = ( -0.2663007 1.0428912 0.8147926), wk = 0.0023364 k( 311) = ( -0.2663007 1.0428912 0.8380724), wk = 0.0023364 k( 312) = ( -0.2663007 1.0428912 0.8613522), wk = 0.0023364 k( 313) = ( -0.2663007 1.0428912 0.8846319), wk = 0.0023364 k( 314) = ( -0.2663007 1.0428912 0.9079117), wk = 0.0023364 k( 315) = ( -0.2663007 1.0428912 0.9311915), wk = 0.0023364 k( 316) = ( -0.2663007 1.0428912 0.9544713), wk = 0.0023364 k( 317) = ( -0.2663007 1.0428912 0.9777511), wk = 0.0023364 k( 318) = ( -0.2663007 1.0428912 1.0010309), wk = 0.0023364 k( 319) = ( -0.2663007 1.0428912 1.0243107), wk = 0.0023364 k( 320) = ( -0.2663007 1.0428912 1.0243107), wk = 0.0023364 k( 321) = ( -0.2721432 1.0200108 1.0243107), wk = 0.0023364 k( 322) = ( -0.2779857 0.9971303 1.0243107), wk = 0.0023364 k( 323) = ( -0.2838282 0.9742499 1.0243107), wk = 0.0023364 k( 324) = ( -0.2896706 0.9513695 1.0243107), wk = 0.0023364 k( 325) = ( -0.2955131 0.9284891 1.0243107), wk = 0.0023364 k( 326) = ( -0.3013556 0.9056086 1.0243107), wk = 0.0023364 k( 327) = ( -0.3071981 0.8827282 1.0243107), wk = 0.0023364 k( 328) = ( -0.3130406 0.8598478 1.0243107), wk = 0.0023364 k( 329) = ( -0.3188831 0.8369674 1.0243107), wk = 0.0023364 k( 330) = ( -0.3247255 0.8140869 1.0243107), wk = 0.0023364 k( 331) = ( -0.3305680 0.7912065 1.0243107), wk = 0.0023364 k( 332) = ( -0.3364105 0.7683261 1.0243107), wk = 0.0023364 k( 333) = ( -0.3422530 0.7454457 1.0243107), wk = 0.0023364 k( 334) = ( -0.3480955 0.7225652 1.0243107), wk = 0.0023364 k( 335) = ( -0.3539380 0.6996848 1.0243107), wk = 0.0023364 k( 336) = ( -0.3597804 0.6768044 1.0243107), wk = 0.0023364 k( 337) = ( -0.3656229 0.6539240 1.0243107), wk = 0.0023364 k( 338) = ( -0.3714654 0.6310436 1.0243107), wk = 0.0023364 k( 339) = ( -0.3773079 0.6081631 1.0243107), wk = 0.0023364 k( 340) = ( -0.3831504 0.5852827 1.0243107), wk = 0.0023364 k( 341) = ( -0.3889928 0.5624023 1.0243107), wk = 0.0023364 k( 342) = ( -0.3948353 0.5395219 1.0243107), wk = 0.0023364 k( 343) = ( -0.4006778 0.5166415 1.0243107), wk = 0.0023364 k( 344) = ( -0.4065203 0.4937610 1.0243107), wk = 0.0023364 k( 345) = ( -0.4123628 0.4708806 1.0243107), wk = 0.0023364 k( 346) = ( -0.4182052 0.4480002 1.0243107), wk = 0.0023364 k( 347) = ( -0.4240477 0.4251198 1.0243107), wk = 0.0023364 k( 348) = ( -0.4298902 0.4022394 1.0243107), wk = 0.0023364 k( 349) = ( -0.4357327 0.3793589 1.0243107), wk = 0.0023364 k( 350) = ( -0.4415752 0.3564785 1.0243107), wk = 0.0023364 k( 351) = ( -0.4474177 0.3335981 1.0243107), wk = 0.0023364 k( 352) = ( -0.4532601 0.3107177 1.0243107), wk = 0.0023364 k( 353) = ( -0.4591026 0.2878372 1.0243107), wk = 0.0023364 k( 354) = ( -0.4649451 0.2649568 1.0243107), wk = 0.0023364 k( 355) = ( -0.4707876 0.2420764 1.0243107), wk = 0.0023364 k( 356) = ( -0.4766301 0.2191960 1.0243107), wk = 0.0023364 k( 357) = ( -0.4824726 0.1963155 1.0243107), wk = 0.0023364 k( 358) = ( -0.4883150 0.1734351 1.0243107), wk = 0.0023364 k( 359) = ( -0.4941575 0.1505547 1.0243107), wk = 0.0023364 k( 360) = ( -0.5000000 0.1276743 1.0243107), wk = 0.0023364 k( 361) = ( -0.5000000 0.1276743 1.0243107), wk = 0.0023364 k( 362) = ( -0.5000000 0.1276743 1.0010309), wk = 0.0023364 k( 363) = ( -0.5000000 0.1276743 0.9777511), wk = 0.0023364 k( 364) = ( -0.5000000 0.1276743 0.9544713), wk = 0.0023364 k( 365) = ( -0.5000000 0.1276743 0.9311915), wk = 0.0023364 k( 366) = ( -0.5000000 0.1276743 0.9079117), wk = 0.0023364 k( 367) = ( -0.5000000 0.1276743 0.8846319), wk = 0.0023364 k( 368) = ( -0.5000000 0.1276743 0.8613522), wk = 0.0023364 k( 369) = ( -0.5000000 0.1276743 0.8380724), wk = 0.0023364 k( 370) = ( -0.5000000 0.1276743 0.8147926), wk = 0.0023364 k( 371) = ( -0.5000000 0.1276743 0.7915128), wk = 0.0023364 k( 372) = ( -0.5000000 0.1276743 0.7682330), wk = 0.0023364 k( 373) = ( -0.5000000 0.1276743 0.7449532), wk = 0.0023364 k( 374) = ( -0.5000000 0.1276743 0.7216734), wk = 0.0023364 k( 375) = ( -0.5000000 0.1276743 0.6983936), wk = 0.0023364 k( 376) = ( -0.5000000 0.1276743 0.6751138), wk = 0.0023364 k( 377) = ( -0.5000000 0.1276743 0.6518341), wk = 0.0023364 k( 378) = ( -0.5000000 0.1276743 0.6285543), wk = 0.0023364 k( 379) = ( -0.5000000 0.1276743 0.6052745), wk = 0.0023364 k( 380) = ( -0.5000000 0.1276743 0.5819947), wk = 0.0023364 k( 381) = ( -0.5000000 0.1276743 0.5587149), wk = 0.0023364 k( 382) = ( -0.5000000 0.1276743 0.5354351), wk = 0.0023364 k( 383) = ( -0.5000000 0.1276743 0.5121553), wk = 0.0023364 k( 384) = ( -0.5000000 0.1276743 0.4888755), wk = 0.0023364 k( 385) = ( -0.5000000 0.1276743 0.4655958), wk = 0.0023364 k( 386) = ( -0.5000000 0.1276743 0.4423160), wk = 0.0023364 k( 387) = ( -0.5000000 0.1276743 0.4190362), wk = 0.0023364 k( 388) = ( -0.5000000 0.1276743 0.3957564), wk = 0.0023364 k( 389) = ( -0.5000000 0.1276743 0.3724766), wk = 0.0023364 k( 390) = ( -0.5000000 0.1276743 0.3491968), wk = 0.0023364 k( 391) = ( -0.5000000 0.1276743 0.3259170), wk = 0.0023364 k( 392) = ( -0.5000000 0.1276743 0.3026372), wk = 0.0023364 k( 393) = ( -0.5000000 0.1276743 0.2793575), wk = 0.0023364 k( 394) = ( -0.5000000 0.1276743 0.2560777), wk = 0.0023364 k( 395) = ( -0.5000000 0.1276743 0.2327979), wk = 0.0023364 k( 396) = ( -0.5000000 0.1276743 0.2095181), wk = 0.0023364 k( 397) = ( -0.5000000 0.1276743 0.1862383), wk = 0.0023364 k( 398) = ( -0.5000000 0.1276743 0.1629585), wk = 0.0023364 k( 399) = ( -0.5000000 0.1276743 0.1396787), wk = 0.0023364 k( 400) = ( -0.5000000 0.1276743 0.1163989), wk = 0.0023364 k( 401) = ( -0.5000000 0.1276743 0.0931192), wk = 0.0023364 k( 402) = ( -0.5000000 0.1276743 0.0698394), wk = 0.0023364 k( 403) = ( -0.5000000 0.1276743 0.0465596), wk = 0.0023364 k( 404) = ( -0.5000000 0.1276743 0.0232798), wk = 0.0023364 k( 405) = ( -0.5000000 0.1276743 -0.0000000), wk = 0.0023364 k( 406) = ( 0.0000000 0.0000000 1.0243107), wk = 0.0023364 k( 407) = ( -0.0227273 0.0058034 1.0243107), wk = 0.0023364 k( 408) = ( -0.0454546 0.0116068 1.0243107), wk = 0.0023364 k( 409) = ( -0.0681818 0.0174101 1.0243107), wk = 0.0023364 k( 410) = ( -0.0909091 0.0232135 1.0243107), wk = 0.0023364 k( 411) = ( -0.1136364 0.0290169 1.0243107), wk = 0.0023364 k( 412) = ( -0.1363636 0.0348203 1.0243107), wk = 0.0023364 k( 413) = ( -0.1590909 0.0406236 1.0243107), wk = 0.0023364 k( 414) = ( -0.1818182 0.0464270 1.0243107), wk = 0.0023364 k( 415) = ( -0.2045454 0.0522304 1.0243107), wk = 0.0023364 k( 416) = ( -0.2272727 0.0580338 1.0243107), wk = 0.0023364 k( 417) = ( -0.2500000 0.0638371 1.0243107), wk = 0.0023364 k( 418) = ( -0.2727273 0.0696405 1.0243107), wk = 0.0023364 k( 419) = ( -0.2954545 0.0754439 1.0243107), wk = 0.0023364 k( 420) = ( -0.3181818 0.0812473 1.0243107), wk = 0.0023364 k( 421) = ( -0.3409091 0.0870506 1.0243107), wk = 0.0023364 k( 422) = ( -0.3636364 0.0928540 1.0243107), wk = 0.0023364 k( 423) = ( -0.3863636 0.0986574 1.0243107), wk = 0.0023364 k( 424) = ( -0.4090909 0.1044608 1.0243107), wk = 0.0023364 k( 425) = ( -0.4318182 0.1102641 1.0243107), wk = 0.0023364 k( 426) = ( -0.4545455 0.1160675 1.0243107), wk = 0.0023364 k( 427) = ( -0.4772727 0.1218709 1.0243107), wk = 0.0023364 k( 428) = ( -0.5000000 0.1276743 1.0243107), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0057891 0.0057891 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0115783 0.0115783 0.0000000), wk = 0.0023364 k( 4) = ( 0.0173674 0.0173674 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0231566 0.0231566 0.0000000), wk = 0.0023364 k( 6) = ( 0.0289457 0.0289457 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0347349 0.0347349 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0405240 0.0405240 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0463132 0.0463132 0.0000000), wk = 0.0023364 k( 10) = ( 0.0521023 0.0521023 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0578915 0.0578915 -0.0000000), wk = 0.0023364 k( 12) = ( 0.0636806 0.0636806 0.0000000), wk = 0.0023364 k( 13) = ( 0.0694697 0.0694698 -0.0000000), wk = 0.0023364 k( 14) = ( 0.0752589 0.0752589 -0.0000000), wk = 0.0023364 k( 15) = ( 0.0810480 0.0810480 -0.0000000), wk = 0.0023364 k( 16) = ( 0.0868372 0.0868372 0.0000000), wk = 0.0023364 k( 17) = ( 0.0926263 0.0926263 0.0000000), wk = 0.0023364 k( 18) = ( 0.0984155 0.0984155 0.0000000), wk = 0.0023364 k( 19) = ( 0.1042046 0.1042046 0.0000000), wk = 0.0023364 k( 20) = ( 0.1099938 0.1099938 0.0000000), wk = 0.0023364 k( 21) = ( 0.1157829 0.1157829 -0.0000000), wk = 0.0023364 k( 22) = ( 0.1215721 0.1215721 -0.0000000), wk = 0.0023364 k( 23) = ( 0.1273612 0.1273612 0.0000000), wk = 0.0023364 k( 24) = ( 0.1331504 0.1331504 -0.0000000), wk = 0.0023364 k( 25) = ( 0.1389395 0.1389395 -0.0000000), wk = 0.0023364 k( 26) = ( 0.1447286 0.1447286 0.0000000), wk = 0.0023364 k( 27) = ( 0.1505178 0.1505178 -0.0000000), wk = 0.0023364 k( 28) = ( 0.1563069 0.1563069 0.0000000), wk = 0.0023364 k( 29) = ( 0.1620961 0.1620961 -0.0000000), wk = 0.0023364 k( 30) = ( 0.1678852 0.1678852 0.0000000), wk = 0.0023364 k( 31) = ( 0.1736744 0.1736744 0.0000000), wk = 0.0023364 k( 32) = ( 0.1794635 0.1794635 -0.0000000), wk = 0.0023364 k( 33) = ( 0.1852527 0.1852527 0.0000000), wk = 0.0023364 k( 34) = ( 0.1910418 0.1910418 -0.0000000), wk = 0.0023364 k( 35) = ( 0.1968310 0.1968310 0.0000000), wk = 0.0023364 k( 36) = ( 0.2026201 0.2026201 0.0000000), wk = 0.0023364 k( 37) = ( 0.2084093 0.2084093 0.0000000), wk = 0.0023364 k( 38) = ( 0.2141984 0.2141984 0.0000000), wk = 0.0023364 k( 39) = ( 0.2199876 0.2199875 -0.0000000), wk = 0.0023364 k( 40) = ( 0.2257767 0.2257767 0.0000000), wk = 0.0023364 k( 41) = ( 0.2315658 0.2315658 -0.0000000), wk = 0.0023364 k( 42) = ( 0.2373550 0.2373550 -0.0000000), wk = 0.0023364 k( 43) = ( 0.2431441 0.2431441 0.0000000), wk = 0.0023364 k( 44) = ( 0.2489333 0.2489333 -0.0000000), wk = 0.0023364 k( 45) = ( 0.2547224 0.2547224 0.0000000), wk = 0.0023364 k( 46) = ( 0.2605116 0.2605116 -0.0000000), wk = 0.0023364 k( 47) = ( 0.2663007 0.2663007 -0.0000000), wk = 0.0023364 k( 48) = ( 0.2663007 0.2663007 -0.0000000), wk = 0.0023364 k( 49) = ( 0.2441090 0.2857757 0.0000000), wk = 0.0023364 k( 50) = ( 0.2219173 0.3052506 -0.0000000), wk = 0.0023364 k( 51) = ( 0.1997255 0.3247255 0.0000000), wk = 0.0023364 k( 52) = ( 0.1775338 0.3442005 0.0000000), wk = 0.0023364 k( 53) = ( 0.1553421 0.3636754 -0.0000000), wk = 0.0023364 k( 54) = ( 0.1331504 0.3831504 -0.0000000), wk = 0.0023364 k( 55) = ( 0.1109586 0.4026253 0.0000000), wk = 0.0023364 k( 56) = ( 0.0887669 0.4221002 0.0000000), wk = 0.0023364 k( 57) = ( 0.0665752 0.4415752 -0.0000000), wk = 0.0023364 k( 58) = ( 0.0443834 0.4610501 -0.0000000), wk = 0.0023364 k( 59) = ( 0.0221917 0.4805251 0.0000000), wk = 0.0023364 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 62) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0023364 k( 63) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0023364 k( 64) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0023364 k( 65) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0023364 k( 66) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0023364 k( 67) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0023364 k( 68) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0023364 k( 69) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0023364 k( 70) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0023364 k( 71) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0023364 k( 72) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023364 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0023364 k( 74) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0023364 k( 75) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0023364 k( 76) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0023364 k( 77) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0023364 k( 78) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0023364 k( 79) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0023364 k( 80) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0023364 k( 81) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0023364 k( 82) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0023364 k( 83) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023364 k( 84) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0023364 k( 85) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0023364 k( 86) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0023364 k( 87) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0023364 k( 88) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0023364 k( 89) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0023364 k( 90) = ( 0.0000000 0.5000000 0.3295454), wk = 0.0023364 k( 91) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0023364 k( 92) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0023364 k( 93) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0023364 k( 94) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023364 k( 95) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0023364 k( 96) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0023364 k( 97) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023364 k( 98) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0023364 k( 99) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0023364 k( 100) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0023364 k( 101) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0023364 k( 102) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0023364 k( 103) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0023364 k( 104) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0023364 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 107) = ( 0.0221917 0.4805251 0.5000000), wk = 0.0023364 k( 108) = ( 0.0443834 0.4610501 0.5000000), wk = 0.0023364 k( 109) = ( 0.0665752 0.4415752 0.5000000), wk = 0.0023364 k( 110) = ( 0.0887669 0.4221002 0.5000000), wk = 0.0023364 k( 111) = ( 0.1109586 0.4026253 0.5000000), wk = 0.0023364 k( 112) = ( 0.1331504 0.3831504 0.5000000), wk = 0.0023364 k( 113) = ( 0.1553421 0.3636754 0.5000000), wk = 0.0023364 k( 114) = ( 0.1775338 0.3442005 0.5000000), wk = 0.0023364 k( 115) = ( 0.1997255 0.3247255 0.5000000), wk = 0.0023364 k( 116) = ( 0.2219173 0.3052506 0.5000000), wk = 0.0023364 k( 117) = ( 0.2441090 0.2857757 0.5000000), wk = 0.0023364 k( 118) = ( 0.2663007 0.2663007 0.5000000), wk = 0.0023364 k( 119) = ( 0.2663007 0.2663007 0.5000000), wk = 0.0023364 k( 120) = ( 0.2605116 0.2605116 0.5000000), wk = 0.0023364 k( 121) = ( 0.2547224 0.2547224 0.5000000), wk = 0.0023364 k( 122) = ( 0.2489333 0.2489333 0.5000000), wk = 0.0023364 k( 123) = ( 0.2431441 0.2431441 0.5000000), wk = 0.0023364 k( 124) = ( 0.2373550 0.2373550 0.5000000), wk = 0.0023364 k( 125) = ( 0.2315658 0.2315658 0.5000000), wk = 0.0023364 k( 126) = ( 0.2257767 0.2257767 0.5000000), wk = 0.0023364 k( 127) = ( 0.2199876 0.2199875 0.5000000), wk = 0.0023364 k( 128) = ( 0.2141984 0.2141984 0.5000000), wk = 0.0023364 k( 129) = ( 0.2084093 0.2084093 0.5000000), wk = 0.0023364 k( 130) = ( 0.2026201 0.2026201 0.5000000), wk = 0.0023364 k( 131) = ( 0.1968310 0.1968310 0.5000000), wk = 0.0023364 k( 132) = ( 0.1910418 0.1910418 0.5000000), wk = 0.0023364 k( 133) = ( 0.1852527 0.1852527 0.5000000), wk = 0.0023364 k( 134) = ( 0.1794635 0.1794635 0.5000000), wk = 0.0023364 k( 135) = ( 0.1736744 0.1736744 0.5000000), wk = 0.0023364 k( 136) = ( 0.1678852 0.1678852 0.5000000), wk = 0.0023364 k( 137) = ( 0.1620961 0.1620961 0.5000000), wk = 0.0023364 k( 138) = ( 0.1563069 0.1563069 0.5000000), wk = 0.0023364 k( 139) = ( 0.1505178 0.1505178 0.5000000), wk = 0.0023364 k( 140) = ( 0.1447286 0.1447286 0.5000000), wk = 0.0023364 k( 141) = ( 0.1389395 0.1389395 0.5000000), wk = 0.0023364 k( 142) = ( 0.1331504 0.1331504 0.5000000), wk = 0.0023364 k( 143) = ( 0.1273612 0.1273612 0.5000000), wk = 0.0023364 k( 144) = ( 0.1215721 0.1215721 0.5000000), wk = 0.0023364 k( 145) = ( 0.1157829 0.1157829 0.5000000), wk = 0.0023364 k( 146) = ( 0.1099938 0.1099938 0.5000000), wk = 0.0023364 k( 147) = ( 0.1042046 0.1042046 0.5000000), wk = 0.0023364 k( 148) = ( 0.0984155 0.0984155 0.5000000), wk = 0.0023364 k( 149) = ( 0.0926263 0.0926263 0.5000000), wk = 0.0023364 k( 150) = ( 0.0868372 0.0868372 0.5000000), wk = 0.0023364 k( 151) = ( 0.0810480 0.0810480 0.5000000), wk = 0.0023364 k( 152) = ( 0.0752589 0.0752589 0.5000000), wk = 0.0023364 k( 153) = ( 0.0694697 0.0694698 0.5000000), wk = 0.0023364 k( 154) = ( 0.0636806 0.0636806 0.5000000), wk = 0.0023364 k( 155) = ( 0.0578915 0.0578915 0.5000000), wk = 0.0023364 k( 156) = ( 0.0521023 0.0521023 0.5000000), wk = 0.0023364 k( 157) = ( 0.0463132 0.0463132 0.5000000), wk = 0.0023364 k( 158) = ( 0.0405240 0.0405240 0.5000000), wk = 0.0023364 k( 159) = ( 0.0347349 0.0347349 0.5000000), wk = 0.0023364 k( 160) = ( 0.0289457 0.0289457 0.5000000), wk = 0.0023364 k( 161) = ( 0.0231566 0.0231566 0.5000000), wk = 0.0023364 k( 162) = ( 0.0173674 0.0173674 0.5000000), wk = 0.0023364 k( 163) = ( 0.0115783 0.0115783 0.5000000), wk = 0.0023364 k( 164) = ( 0.0057891 0.0057891 0.5000000), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0023364 k( 196) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0023364 k( 197) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0023364 k( 198) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0023364 k( 199) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023364 k( 200) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0023364 k( 201) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0023364 k( 202) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0023364 k( 203) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0023364 k( 204) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0023364 k( 205) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0023364 k( 206) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0023364 k( 207) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0023364 k( 208) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0023364 k( 209) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0023364 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 212) = ( -0.0227273 0.0227273 0.0000000), wk = 0.0023364 k( 213) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0023364 k( 214) = ( -0.0681818 0.0681818 0.0000000), wk = 0.0023364 k( 215) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0023364 k( 216) = ( -0.1136364 0.1136364 0.0000000), wk = 0.0023364 k( 217) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0023364 k( 218) = ( -0.1590909 0.1590909 0.0000000), wk = 0.0023364 k( 219) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0023364 k( 220) = ( -0.2045454 0.2045455 0.0000000), wk = 0.0023364 k( 221) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0023364 k( 222) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0023364 k( 223) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0023364 k( 224) = ( -0.2954545 0.2954545 0.0000000), wk = 0.0023364 k( 225) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0023364 k( 226) = ( -0.3409091 0.3409091 0.0000000), wk = 0.0023364 k( 227) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0023364 k( 228) = ( -0.3863636 0.3863636 0.0000000), wk = 0.0023364 k( 229) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0023364 k( 230) = ( -0.4318182 0.4318182 0.0000000), wk = 0.0023364 k( 231) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0023364 k( 232) = ( -0.4772727 0.4772727 0.0000000), wk = 0.0023364 k( 233) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 234) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 235) = ( -0.4941575 0.5058425 0.0000000), wk = 0.0023364 k( 236) = ( -0.4883150 0.5116850 0.0000000), wk = 0.0023364 k( 237) = ( -0.4824726 0.5175274 0.0000000), wk = 0.0023364 k( 238) = ( -0.4766301 0.5233699 0.0000000), wk = 0.0023364 k( 239) = ( -0.4707876 0.5292124 0.0000000), wk = 0.0023364 k( 240) = ( -0.4649451 0.5350549 0.0000000), wk = 0.0023364 k( 241) = ( -0.4591026 0.5408974 0.0000000), wk = 0.0023364 k( 242) = ( -0.4532601 0.5467399 -0.0000000), wk = 0.0023364 k( 243) = ( -0.4474177 0.5525823 0.0000000), wk = 0.0023364 k( 244) = ( -0.4415752 0.5584248 0.0000000), wk = 0.0023364 k( 245) = ( -0.4357327 0.5642673 0.0000000), wk = 0.0023364 k( 246) = ( -0.4298902 0.5701098 0.0000000), wk = 0.0023364 k( 247) = ( -0.4240477 0.5759523 0.0000000), wk = 0.0023364 k( 248) = ( -0.4182052 0.5817948 0.0000000), wk = 0.0023364 k( 249) = ( -0.4123628 0.5876372 0.0000000), wk = 0.0023364 k( 250) = ( -0.4065203 0.5934797 0.0000000), wk = 0.0023364 k( 251) = ( -0.4006778 0.5993222 0.0000000), wk = 0.0023364 k( 252) = ( -0.3948353 0.6051647 0.0000000), wk = 0.0023364 k( 253) = ( -0.3889928 0.6110072 -0.0000000), wk = 0.0023364 k( 254) = ( -0.3831504 0.6168496 -0.0000000), wk = 0.0023364 k( 255) = ( -0.3773079 0.6226921 0.0000000), wk = 0.0023364 k( 256) = ( -0.3714654 0.6285346 -0.0000000), wk = 0.0023364 k( 257) = ( -0.3656229 0.6343771 -0.0000000), wk = 0.0023364 k( 258) = ( -0.3597804 0.6402196 -0.0000000), wk = 0.0023364 k( 259) = ( -0.3539380 0.6460621 0.0000000), wk = 0.0023364 k( 260) = ( -0.3480955 0.6519045 0.0000000), wk = 0.0023364 k( 261) = ( -0.3422530 0.6577470 -0.0000000), wk = 0.0023364 k( 262) = ( -0.3364105 0.6635895 -0.0000000), wk = 0.0023364 k( 263) = ( -0.3305680 0.6694320 -0.0000000), wk = 0.0023364 k( 264) = ( -0.3247255 0.6752745 0.0000000), wk = 0.0023364 k( 265) = ( -0.3188831 0.6811169 0.0000000), wk = 0.0023364 k( 266) = ( -0.3130406 0.6869594 -0.0000000), wk = 0.0023364 k( 267) = ( -0.3071981 0.6928019 -0.0000000), wk = 0.0023364 k( 268) = ( -0.3013556 0.6986444 -0.0000000), wk = 0.0023364 k( 269) = ( -0.2955131 0.7044869 0.0000000), wk = 0.0023364 k( 270) = ( -0.2896706 0.7103294 -0.0000000), wk = 0.0023364 k( 271) = ( -0.2838282 0.7161718 0.0000000), wk = 0.0023364 k( 272) = ( -0.2779857 0.7220143 0.0000000), wk = 0.0023364 k( 273) = ( -0.2721432 0.7278568 -0.0000000), wk = 0.0023364 k( 274) = ( -0.2663007 0.7336993 0.0000000), wk = 0.0023364 k( 275) = ( -0.2663007 0.7336993 0.0000000), wk = 0.0023364 k( 276) = ( -0.2663007 0.7336993 0.0113636), wk = 0.0023364 k( 277) = ( -0.2663007 0.7336993 0.0227273), wk = 0.0023364 k( 278) = ( -0.2663007 0.7336993 0.0340909), wk = 0.0023364 k( 279) = ( -0.2663007 0.7336993 0.0454546), wk = 0.0023364 k( 280) = ( -0.2663007 0.7336993 0.0568182), wk = 0.0023364 k( 281) = ( -0.2663007 0.7336993 0.0681818), wk = 0.0023364 k( 282) = ( -0.2663007 0.7336993 0.0795455), wk = 0.0023364 k( 283) = ( -0.2663007 0.7336993 0.0909091), wk = 0.0023364 k( 284) = ( -0.2663007 0.7336993 0.1022727), wk = 0.0023364 k( 285) = ( -0.2663007 0.7336993 0.1136364), wk = 0.0023364 k( 286) = ( -0.2663007 0.7336993 0.1250000), wk = 0.0023364 k( 287) = ( -0.2663007 0.7336993 0.1363636), wk = 0.0023364 k( 288) = ( -0.2663007 0.7336993 0.1477273), wk = 0.0023364 k( 289) = ( -0.2663007 0.7336993 0.1590909), wk = 0.0023364 k( 290) = ( -0.2663007 0.7336993 0.1704545), wk = 0.0023364 k( 291) = ( -0.2663007 0.7336993 0.1818182), wk = 0.0023364 k( 292) = ( -0.2663007 0.7336993 0.1931818), wk = 0.0023364 k( 293) = ( -0.2663007 0.7336993 0.2045454), wk = 0.0023364 k( 294) = ( -0.2663007 0.7336993 0.2159091), wk = 0.0023364 k( 295) = ( -0.2663007 0.7336993 0.2272727), wk = 0.0023364 k( 296) = ( -0.2663007 0.7336993 0.2386364), wk = 0.0023364 k( 297) = ( -0.2663007 0.7336993 0.2500000), wk = 0.0023364 k( 298) = ( -0.2663007 0.7336993 0.2613636), wk = 0.0023364 k( 299) = ( -0.2663007 0.7336993 0.2727273), wk = 0.0023364 k( 300) = ( -0.2663007 0.7336993 0.2840909), wk = 0.0023364 k( 301) = ( -0.2663007 0.7336993 0.2954545), wk = 0.0023364 k( 302) = ( -0.2663007 0.7336993 0.3068182), wk = 0.0023364 k( 303) = ( -0.2663007 0.7336993 0.3181818), wk = 0.0023364 k( 304) = ( -0.2663007 0.7336993 0.3295455), wk = 0.0023364 k( 305) = ( -0.2663007 0.7336993 0.3409091), wk = 0.0023364 k( 306) = ( -0.2663007 0.7336993 0.3522727), wk = 0.0023364 k( 307) = ( -0.2663007 0.7336993 0.3636364), wk = 0.0023364 k( 308) = ( -0.2663007 0.7336993 0.3750000), wk = 0.0023364 k( 309) = ( -0.2663007 0.7336993 0.3863636), wk = 0.0023364 k( 310) = ( -0.2663007 0.7336993 0.3977273), wk = 0.0023364 k( 311) = ( -0.2663007 0.7336993 0.4090909), wk = 0.0023364 k( 312) = ( -0.2663007 0.7336993 0.4204545), wk = 0.0023364 k( 313) = ( -0.2663007 0.7336993 0.4318182), wk = 0.0023364 k( 314) = ( -0.2663007 0.7336993 0.4431818), wk = 0.0023364 k( 315) = ( -0.2663007 0.7336993 0.4545455), wk = 0.0023364 k( 316) = ( -0.2663007 0.7336993 0.4659091), wk = 0.0023364 k( 317) = ( -0.2663007 0.7336993 0.4772727), wk = 0.0023364 k( 318) = ( -0.2663007 0.7336993 0.4886364), wk = 0.0023364 k( 319) = ( -0.2663007 0.7336993 0.5000000), wk = 0.0023364 k( 320) = ( -0.2663007 0.7336993 0.5000000), wk = 0.0023364 k( 321) = ( -0.2721432 0.7278568 0.5000000), wk = 0.0023364 k( 322) = ( -0.2779857 0.7220143 0.5000000), wk = 0.0023364 k( 323) = ( -0.2838282 0.7161718 0.5000000), wk = 0.0023364 k( 324) = ( -0.2896706 0.7103294 0.5000000), wk = 0.0023364 k( 325) = ( -0.2955131 0.7044869 0.5000000), wk = 0.0023364 k( 326) = ( -0.3013556 0.6986444 0.5000000), wk = 0.0023364 k( 327) = ( -0.3071981 0.6928019 0.5000000), wk = 0.0023364 k( 328) = ( -0.3130406 0.6869594 0.5000000), wk = 0.0023364 k( 329) = ( -0.3188831 0.6811169 0.5000000), wk = 0.0023364 k( 330) = ( -0.3247255 0.6752745 0.5000000), wk = 0.0023364 k( 331) = ( -0.3305680 0.6694320 0.5000000), wk = 0.0023364 k( 332) = ( -0.3364105 0.6635895 0.5000000), wk = 0.0023364 k( 333) = ( -0.3422530 0.6577470 0.5000000), wk = 0.0023364 k( 334) = ( -0.3480955 0.6519045 0.5000000), wk = 0.0023364 k( 335) = ( -0.3539380 0.6460621 0.5000000), wk = 0.0023364 k( 336) = ( -0.3597804 0.6402196 0.5000000), wk = 0.0023364 k( 337) = ( -0.3656229 0.6343771 0.5000000), wk = 0.0023364 k( 338) = ( -0.3714654 0.6285346 0.5000000), wk = 0.0023364 k( 339) = ( -0.3773079 0.6226921 0.5000000), wk = 0.0023364 k( 340) = ( -0.3831504 0.6168496 0.5000000), wk = 0.0023364 k( 341) = ( -0.3889928 0.6110072 0.5000000), wk = 0.0023364 k( 342) = ( -0.3948353 0.6051647 0.5000000), wk = 0.0023364 k( 343) = ( -0.4006778 0.5993222 0.5000000), wk = 0.0023364 k( 344) = ( -0.4065203 0.5934797 0.5000000), wk = 0.0023364 k( 345) = ( -0.4123628 0.5876372 0.5000000), wk = 0.0023364 k( 346) = ( -0.4182052 0.5817948 0.5000000), wk = 0.0023364 k( 347) = ( -0.4240477 0.5759523 0.5000000), wk = 0.0023364 k( 348) = ( -0.4298902 0.5701098 0.5000000), wk = 0.0023364 k( 349) = ( -0.4357327 0.5642673 0.5000000), wk = 0.0023364 k( 350) = ( -0.4415752 0.5584248 0.5000000), wk = 0.0023364 k( 351) = ( -0.4474177 0.5525823 0.5000000), wk = 0.0023364 k( 352) = ( -0.4532601 0.5467399 0.5000000), wk = 0.0023364 k( 353) = ( -0.4591026 0.5408974 0.5000000), wk = 0.0023364 k( 354) = ( -0.4649451 0.5350549 0.5000000), wk = 0.0023364 k( 355) = ( -0.4707876 0.5292124 0.5000000), wk = 0.0023364 k( 356) = ( -0.4766301 0.5233699 0.5000000), wk = 0.0023364 k( 357) = ( -0.4824726 0.5175274 0.5000000), wk = 0.0023364 k( 358) = ( -0.4883150 0.5116850 0.5000000), wk = 0.0023364 k( 359) = ( -0.4941575 0.5058425 0.5000000), wk = 0.0023364 k( 360) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 361) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 362) = ( -0.5000000 0.5000000 0.4886364), wk = 0.0023364 k( 363) = ( -0.5000000 0.5000000 0.4772727), wk = 0.0023364 k( 364) = ( -0.5000000 0.5000000 0.4659091), wk = 0.0023364 k( 365) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0023364 k( 366) = ( -0.5000000 0.5000000 0.4431818), wk = 0.0023364 k( 367) = ( -0.5000000 0.5000000 0.4318182), wk = 0.0023364 k( 368) = ( -0.5000000 0.5000000 0.4204545), wk = 0.0023364 k( 369) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0023364 k( 370) = ( -0.5000000 0.5000000 0.3977273), wk = 0.0023364 k( 371) = ( -0.5000000 0.5000000 0.3863636), wk = 0.0023364 k( 372) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0023364 k( 373) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0023364 k( 374) = ( -0.5000000 0.5000000 0.3522727), wk = 0.0023364 k( 375) = ( -0.5000000 0.5000000 0.3409091), wk = 0.0023364 k( 376) = ( -0.5000000 0.5000000 0.3295455), wk = 0.0023364 k( 377) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0023364 k( 378) = ( -0.5000000 0.5000000 0.3068182), wk = 0.0023364 k( 379) = ( -0.5000000 0.5000000 0.2954545), wk = 0.0023364 k( 380) = ( -0.5000000 0.5000000 0.2840909), wk = 0.0023364 k( 381) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0023364 k( 382) = ( -0.5000000 0.5000000 0.2613636), wk = 0.0023364 k( 383) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023364 k( 384) = ( -0.5000000 0.5000000 0.2386364), wk = 0.0023364 k( 385) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0023364 k( 386) = ( -0.5000000 0.5000000 0.2159091), wk = 0.0023364 k( 387) = ( -0.5000000 0.5000000 0.2045454), wk = 0.0023364 k( 388) = ( -0.5000000 0.5000000 0.1931818), wk = 0.0023364 k( 389) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0023364 k( 390) = ( -0.5000000 0.5000000 0.1704546), wk = 0.0023364 k( 391) = ( -0.5000000 0.5000000 0.1590909), wk = 0.0023364 k( 392) = ( -0.5000000 0.5000000 0.1477273), wk = 0.0023364 k( 393) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0023364 k( 394) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0023364 k( 395) = ( -0.5000000 0.5000000 0.1136364), wk = 0.0023364 k( 396) = ( -0.5000000 0.5000000 0.1022727), wk = 0.0023364 k( 397) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0023364 k( 398) = ( -0.5000000 0.5000000 0.0795455), wk = 0.0023364 k( 399) = ( -0.5000000 0.5000000 0.0681818), wk = 0.0023364 k( 400) = ( -0.5000000 0.5000000 0.0568182), wk = 0.0023364 k( 401) = ( -0.5000000 0.5000000 0.0454545), wk = 0.0023364 k( 402) = ( -0.5000000 0.5000000 0.0340909), wk = 0.0023364 k( 403) = ( -0.5000000 0.5000000 0.0227273), wk = 0.0023364 k( 404) = ( -0.5000000 0.5000000 0.0113636), wk = 0.0023364 k( 405) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 406) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 407) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0023364 k( 408) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0023364 k( 409) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0023364 k( 410) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0023364 k( 411) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0023364 k( 412) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0023364 k( 413) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0023364 k( 414) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0023364 k( 415) = ( -0.2045454 0.2045455 0.5000000), wk = 0.0023364 k( 416) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0023364 k( 417) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023364 k( 418) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0023364 k( 419) = ( -0.2954545 0.2954545 0.5000000), wk = 0.0023364 k( 420) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0023364 k( 421) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0023364 k( 422) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0023364 k( 423) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0023364 k( 424) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0023364 k( 425) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0023364 k( 426) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0023364 k( 427) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0023364 k( 428) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 Dense grid: 48355 G-vectors FFT dimensions: ( 75, 75, 36) Smooth grid: 29717 G-vectors FFT dimensions: ( 64, 64, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48) NL pseudopotentials 0.34 Mb ( 110, 204) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.01 Mb ( 1344) G-vector shells 0.01 Mb ( 690) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 220, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./HfSi2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.3 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.3 secs Computing kpt #: 30 total cpu time spent up to now is 17.8 secs Computing kpt #: 31 total cpu time spent up to now is 18.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.7 secs Computing kpt #: 35 total cpu time spent up to now is 20.2 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.6 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.5 secs Computing kpt #: 41 total cpu time spent up to now is 23.0 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.6 secs Computing kpt #: 45 total cpu time spent up to now is 25.2 secs Computing kpt #: 46 total cpu time spent up to now is 25.7 secs Computing kpt #: 47 total cpu time spent up to now is 26.2 secs Computing kpt #: 48 total cpu time spent up to now is 26.7 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.7 secs Computing kpt #: 51 total cpu time spent up to now is 28.2 secs Computing kpt #: 52 total cpu time spent up to now is 28.8 secs Computing kpt #: 53 total cpu time spent up to now is 29.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.0 secs Computing kpt #: 55 total cpu time spent up to now is 30.6 secs Computing kpt #: 56 total cpu time spent up to now is 31.2 secs Computing kpt #: 57 total cpu time spent up to now is 31.7 secs Computing kpt #: 58 total cpu time spent up to now is 32.4 secs Computing kpt #: 59 total cpu time spent up to now is 33.0 secs Computing kpt #: 60 total cpu time spent up to now is 33.6 secs Computing kpt #: 61 total cpu time spent up to now is 34.2 secs Computing kpt #: 62 total cpu time spent up to now is 34.8 secs Computing kpt #: 63 total cpu time spent up to now is 35.4 secs Computing kpt #: 64 total cpu time spent up to now is 36.0 secs Computing kpt #: 65 total cpu time spent up to now is 36.5 secs Computing kpt #: 66 total cpu time spent up to now is 37.1 secs Computing kpt #: 67 total cpu time spent up to now is 37.6 secs Computing kpt #: 68 total cpu time spent up to now is 38.1 secs Computing kpt #: 69 total cpu time spent up to now is 38.7 secs Computing kpt #: 70 total cpu time spent up to now is 39.3 secs Computing kpt #: 71 total cpu time spent up to now is 39.9 secs Computing kpt #: 72 total cpu time spent up to now is 40.5 secs Computing kpt #: 73 total cpu time spent up to now is 41.0 secs Computing kpt #: 74 total cpu time spent up to now is 41.6 secs Computing kpt #: 75 total cpu time spent up to now is 42.2 secs Computing kpt #: 76 total cpu time spent up to now is 42.8 secs Computing kpt #: 77 total cpu time spent up to now is 43.4 secs Computing kpt #: 78 total cpu time spent up to now is 44.0 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.1 secs Computing kpt #: 81 total cpu time spent up to now is 45.7 secs Computing kpt #: 82 total cpu time spent up to now is 46.3 secs Computing kpt #: 83 total cpu time spent up to now is 46.9 secs Computing kpt #: 84 total cpu time spent up to now is 47.4 secs Computing kpt #: 85 total cpu time spent up to now is 48.0 secs Computing kpt #: 86 total cpu time spent up to now is 48.6 secs Computing kpt #: 87 total cpu time spent up to now is 49.2 secs Computing kpt #: 88 total cpu time spent up to now is 49.7 secs Computing kpt #: 89 total cpu time spent up to now is 50.3 secs Computing kpt #: 90 total cpu time spent up to now is 50.9 secs Computing kpt #: 91 total cpu time spent up to now is 51.4 secs Computing kpt #: 92 total cpu time spent up to now is 51.9 secs Computing kpt #: 93 total cpu time spent up to now is 52.5 secs Computing kpt #: 94 total cpu time spent up to now is 53.0 secs Computing kpt #: 95 total cpu time spent up to now is 53.6 secs Computing kpt #: 96 total cpu time spent up to now is 54.1 secs Computing kpt #: 97 total cpu time spent up to now is 54.7 secs Computing kpt #: 98 total cpu time spent up to now is 55.2 secs Computing kpt #: 99 total cpu time spent up to now is 55.7 secs Computing kpt #: 100 total cpu time spent up to now is 56.3 secs Computing kpt #: 101 total cpu time spent up to now is 56.9 secs Computing kpt #: 102 total cpu time spent up to now is 57.5 secs Computing kpt #: 103 total cpu time spent up to now is 58.1 secs Computing kpt #: 104 total cpu time spent up to now is 58.7 secs Computing kpt #: 105 total cpu time spent up to now is 59.2 secs Computing kpt #: 106 total cpu time spent up to now is 59.8 secs Computing kpt #: 107 total cpu time spent up to now is 60.4 secs Computing kpt #: 108 total cpu time spent up to now is 60.9 secs Computing kpt #: 109 total cpu time spent up to now is 61.4 secs Computing kpt #: 110 total cpu time spent up to now is 62.0 secs Computing kpt #: 111 total cpu time spent up to now is 62.5 secs Computing kpt #: 112 total cpu time spent up to now is 63.1 secs Computing kpt #: 113 total cpu time spent up to now is 63.7 secs Computing kpt #: 114 total cpu time spent up to now is 64.2 secs Computing kpt #: 115 total cpu time spent up to now is 64.8 secs Computing kpt #: 116 total cpu time spent up to now is 65.4 secs Computing kpt #: 117 total cpu time spent up to now is 65.9 secs Computing kpt #: 118 total cpu time spent up to now is 66.5 secs Computing kpt #: 119 total cpu time spent up to now is 67.0 secs Computing kpt #: 120 total cpu time spent up to now is 67.6 secs Computing kpt #: 121 total cpu time spent up to now is 68.1 secs Computing kpt #: 122 total cpu time spent up to now is 68.6 secs Computing kpt #: 123 total cpu time spent up to now is 69.1 secs Computing kpt #: 124 total cpu time spent up to now is 69.6 secs Computing kpt #: 125 total cpu time spent up to now is 70.1 secs Computing kpt #: 126 total cpu time spent up to now is 70.6 secs Computing kpt #: 127 total cpu time spent up to now is 71.2 secs Computing kpt #: 128 total cpu time spent up to now is 71.8 secs Computing kpt #: 129 total cpu time spent up to now is 72.3 secs Computing kpt #: 130 total cpu time spent up to now is 72.9 secs Computing kpt #: 131 total cpu time spent up to now is 73.5 secs Computing kpt #: 132 total cpu time spent up to now is 74.1 secs Computing kpt #: 133 total cpu time spent up to now is 74.7 secs Computing kpt #: 134 total cpu time spent up to now is 75.3 secs Computing kpt #: 135 total cpu time spent up to now is 75.8 secs Computing kpt #: 136 total cpu time spent up to now is 76.4 secs Computing kpt #: 137 total cpu time spent up to now is 77.0 secs Computing kpt #: 138 total cpu time spent up to now is 77.9 secs Computing kpt #: 139 total cpu time spent up to now is 78.4 secs Computing kpt #: 140 total cpu time spent up to now is 79.0 secs Computing kpt #: 141 total cpu time spent up to now is 79.6 secs Computing kpt #: 142 total cpu time spent up to now is 80.2 secs Computing kpt #: 143 total cpu time spent up to now is 80.7 secs Computing kpt #: 144 total cpu time spent up to now is 81.3 secs Computing kpt #: 145 total cpu time spent up to now is 81.9 secs Computing kpt #: 146 total cpu time spent up to now is 82.5 secs Computing kpt #: 147 total cpu time spent up to now is 83.0 secs Computing kpt #: 148 total cpu time spent up to now is 83.6 secs Computing kpt #: 149 total cpu time spent up to now is 84.2 secs Computing kpt #: 150 total cpu time spent up to now is 84.7 secs Computing kpt #: 151 total cpu time spent up to now is 85.2 secs Computing kpt #: 152 total cpu time spent up to now is 85.7 secs Computing kpt #: 153 total cpu time spent up to now is 86.2 secs Computing kpt #: 154 total cpu time spent up to now is 86.7 secs Computing kpt #: 155 total cpu time spent up to now is 87.2 secs Computing kpt #: 156 total cpu time spent up to now is 87.7 secs Computing kpt #: 157 total cpu time spent up to now is 88.2 secs Computing kpt #: 158 total cpu time spent up to now is 88.7 secs Computing kpt #: 159 total cpu time spent up to now is 89.2 secs Computing kpt #: 160 total cpu time spent up to now is 89.8 secs Computing kpt #: 161 total cpu time spent up to now is 90.3 secs Computing kpt #: 162 total cpu time spent up to now is 90.8 secs Computing kpt #: 163 total cpu time spent up to now is 91.3 secs Computing kpt #: 164 total cpu time spent up to now is 91.8 secs Computing kpt #: 165 total cpu time spent up to now is 92.3 secs Computing kpt #: 166 total cpu time spent up to now is 92.9 secs Computing kpt #: 167 total cpu time spent up to now is 93.5 secs Computing kpt #: 168 total cpu time spent up to now is 94.0 secs Computing kpt #: 169 total cpu time spent up to now is 94.5 secs Computing kpt #: 170 total cpu time spent up to now is 95.0 secs Computing kpt #: 171 total cpu time spent up to now is 95.5 secs Computing kpt #: 172 total cpu time spent up to now is 96.0 secs Computing kpt #: 173 total cpu time spent up to now is 96.5 secs Computing kpt #: 174 total cpu time spent up to now is 97.0 secs Computing kpt #: 175 total cpu time spent up to now is 97.5 secs Computing kpt #: 176 total cpu time spent up to now is 98.0 secs Computing kpt #: 177 total cpu time spent up to now is 98.6 secs Computing kpt #: 178 total cpu time spent up to now is 99.2 secs Computing kpt #: 179 total cpu time spent up to now is 99.7 secs Computing kpt #: 180 total cpu time spent up to now is 100.3 secs Computing kpt #: 181 total cpu time spent up to now is 100.8 secs Computing kpt #: 182 total cpu time spent up to now is 101.4 secs Computing kpt #: 183 total cpu time spent up to now is 102.0 secs Computing kpt #: 184 total cpu time spent up to now is 102.5 secs Computing kpt #: 185 total cpu time spent up to now is 103.0 secs Computing kpt #: 186 total cpu time spent up to now is 103.5 secs Computing kpt #: 187 total cpu time spent up to now is 103.9 secs Computing kpt #: 188 total cpu time spent up to now is 104.4 secs Computing kpt #: 189 total cpu time spent up to now is 104.8 secs Computing kpt #: 190 total cpu time spent up to now is 105.3 secs Computing kpt #: 191 total cpu time spent up to now is 105.7 secs Computing kpt #: 192 total cpu time spent up to now is 106.2 secs Computing kpt #: 193 total cpu time spent up to now is 106.6 secs Computing kpt #: 194 total cpu time spent up to now is 107.1 secs Computing kpt #: 195 total cpu time spent up to now is 107.6 secs Computing kpt #: 196 total cpu time spent up to now is 108.0 secs Computing kpt #: 197 total cpu time spent up to now is 108.5 secs Computing kpt #: 198 total cpu time spent up to now is 108.9 secs Computing kpt #: 199 total cpu time spent up to now is 109.4 secs Computing kpt #: 200 total cpu time spent up to now is 109.9 secs Computing kpt #: 201 total cpu time spent up to now is 110.4 secs Computing kpt #: 202 total cpu time spent up to now is 111.0 secs Computing kpt #: 203 total cpu time spent up to now is 111.5 secs Computing kpt #: 204 total cpu time spent up to now is 112.0 secs Computing kpt #: 205 total cpu time spent up to now is 112.9 secs Computing kpt #: 206 total cpu time spent up to now is 113.5 secs Computing kpt #: 207 total cpu time spent up to now is 114.0 secs Computing kpt #: 208 total cpu time spent up to now is 114.5 secs Computing kpt #: 209 total cpu time spent up to now is 115.0 secs Computing kpt #: 210 total cpu time spent up to now is 115.6 secs Computing kpt #: 211 total cpu time spent up to now is 116.1 secs Computing kpt #: 212 total cpu time spent up to now is 116.6 secs Computing kpt #: 213 total cpu time spent up to now is 117.2 secs Computing kpt #: 214 total cpu time spent up to now is 117.8 secs Computing kpt #: 215 total cpu time spent up to now is 118.6 secs Computing kpt #: 216 total cpu time spent up to now is 119.3 secs Computing kpt #: 217 total cpu time spent up to now is 119.9 secs Computing kpt #: 218 total cpu time spent up to now is 120.5 secs Computing kpt #: 219 total cpu time spent up to now is 121.0 secs Computing kpt #: 220 total cpu time spent up to now is 121.5 secs Computing kpt #: 221 total cpu time spent up to now is 122.0 secs Computing kpt #: 222 total cpu time spent up to now is 122.5 secs Computing kpt #: 223 total cpu time spent up to now is 123.1 secs Computing kpt #: 224 total cpu time spent up to now is 123.6 secs Computing kpt #: 225 total cpu time spent up to now is 124.0 secs Computing kpt #: 226 total cpu time spent up to now is 124.5 secs Computing kpt #: 227 total cpu time spent up to now is 125.1 secs Computing kpt #: 228 total cpu time spent up to now is 125.6 secs Computing kpt #: 229 total cpu time spent up to now is 126.1 secs Computing kpt #: 230 total cpu time spent up to now is 126.6 secs Computing kpt #: 231 total cpu time spent up to now is 127.1 secs Computing kpt #: 232 total cpu time spent up to now is 127.6 secs Computing kpt #: 233 total cpu time spent up to now is 128.2 secs Computing kpt #: 234 total cpu time spent up to now is 128.7 secs Computing kpt #: 235 total cpu time spent up to now is 129.2 secs Computing kpt #: 236 total cpu time spent up to now is 129.7 secs Computing kpt #: 237 total cpu time spent up to now is 130.2 secs Computing kpt #: 238 total cpu time spent up to now is 130.8 secs Computing kpt #: 239 total cpu time spent up to now is 131.4 secs Computing kpt #: 240 total cpu time spent up to now is 131.9 secs Computing kpt #: 241 total cpu time spent up to now is 132.4 secs Computing kpt #: 242 total cpu time spent up to now is 132.8 secs Computing kpt #: 243 total cpu time spent up to now is 133.3 secs Computing kpt #: 244 total cpu time spent up to now is 133.7 secs Computing kpt #: 245 total cpu time spent up to now is 134.1 secs Computing kpt #: 246 total cpu time spent up to now is 134.6 secs Computing kpt #: 247 total cpu time spent up to now is 135.0 secs Computing kpt #: 248 total cpu time spent up to now is 135.4 secs Computing kpt #: 249 total cpu time spent up to now is 135.9 secs Computing kpt #: 250 total cpu time spent up to now is 136.3 secs Computing kpt #: 251 total cpu time spent up to now is 136.8 secs Computing kpt #: 252 total cpu time spent up to now is 137.2 secs Computing kpt #: 253 total cpu time spent up to now is 137.8 secs Computing kpt #: 254 total cpu time spent up to now is 138.4 secs Computing kpt #: 255 total cpu time spent up to now is 139.2 secs Computing kpt #: 256 total cpu time spent up to now is 139.8 secs Computing kpt #: 257 total cpu time spent up to now is 140.3 secs Computing kpt #: 258 total cpu time spent up to now is 140.9 secs Computing kpt #: 259 total cpu time spent up to now is 141.5 secs Computing kpt #: 260 total cpu time spent up to now is 142.0 secs Computing kpt #: 261 total cpu time spent up to now is 142.6 secs Computing kpt #: 262 total cpu time spent up to now is 143.1 secs Computing kpt #: 263 total cpu time spent up to now is 143.7 secs Computing kpt #: 264 total cpu time spent up to now is 144.3 secs Computing kpt #: 265 total cpu time spent up to now is 144.8 secs Computing kpt #: 266 total cpu time spent up to now is 145.4 secs Computing kpt #: 267 total cpu time spent up to now is 146.0 secs Computing kpt #: 268 total cpu time spent up to now is 146.6 secs Computing kpt #: 269 total cpu time spent up to now is 147.1 secs Computing kpt #: 270 total cpu time spent up to now is 147.7 secs Computing kpt #: 271 total cpu time spent up to now is 148.2 secs Computing kpt #: 272 total cpu time spent up to now is 148.7 secs Computing kpt #: 273 total cpu time spent up to now is 149.2 secs Computing kpt #: 274 total cpu time spent up to now is 149.7 secs Computing kpt #: 275 total cpu time spent up to now is 150.2 secs Computing kpt #: 276 total cpu time spent up to now is 150.7 secs Computing kpt #: 277 total cpu time spent up to now is 151.2 secs Computing kpt #: 278 total cpu time spent up to now is 151.7 secs Computing kpt #: 279 total cpu time spent up to now is 152.2 secs Computing kpt #: 280 total cpu time spent up to now is 152.7 secs Computing kpt #: 281 total cpu time spent up to now is 153.3 secs Computing kpt #: 282 total cpu time spent up to now is 153.8 secs Computing kpt #: 283 total cpu time spent up to now is 154.3 secs Computing kpt #: 284 total cpu time spent up to now is 154.8 secs Computing kpt #: 285 total cpu time spent up to now is 155.3 secs Computing kpt #: 286 total cpu time spent up to now is 155.7 secs Computing kpt #: 287 total cpu time spent up to now is 156.2 secs Computing kpt #: 288 total cpu time spent up to now is 156.7 secs Computing kpt #: 289 total cpu time spent up to now is 157.3 secs Computing kpt #: 290 total cpu time spent up to now is 157.7 secs Computing kpt #: 291 total cpu time spent up to now is 158.2 secs Computing kpt #: 292 total cpu time spent up to now is 158.7 secs Computing kpt #: 293 total cpu time spent up to now is 159.2 secs Computing kpt #: 294 total cpu time spent up to now is 159.7 secs Computing kpt #: 295 total cpu time spent up to now is 160.2 secs Computing kpt #: 296 total cpu time spent up to now is 160.7 secs Computing kpt #: 297 total cpu time spent up to now is 161.2 secs Computing kpt #: 298 total cpu time spent up to now is 161.7 secs Computing kpt #: 299 total cpu time spent up to now is 162.2 secs Computing kpt #: 300 total cpu time spent up to now is 162.7 secs Computing kpt #: 301 total cpu time spent up to now is 163.2 secs Computing kpt #: 302 total cpu time spent up to now is 163.8 secs Computing kpt #: 303 total cpu time spent up to now is 164.3 secs Computing kpt #: 304 total cpu time spent up to now is 164.8 secs Computing kpt #: 305 total cpu time spent up to now is 165.3 secs Computing kpt #: 306 total cpu time spent up to now is 165.8 secs Computing kpt #: 307 total cpu time spent up to now is 166.3 secs Computing kpt #: 308 total cpu time spent up to now is 166.9 secs Computing kpt #: 309 total cpu time spent up to now is 167.4 secs Computing kpt #: 310 total cpu time spent up to now is 167.9 secs Computing kpt #: 311 total cpu time spent up to now is 168.4 secs Computing kpt #: 312 total cpu time spent up to now is 168.9 secs Computing kpt #: 313 total cpu time spent up to now is 169.4 secs Computing kpt #: 314 total cpu time spent up to now is 169.9 secs Computing kpt #: 315 total cpu time spent up to now is 170.5 secs Computing kpt #: 316 total cpu time spent up to now is 171.0 secs Computing kpt #: 317 total cpu time spent up to now is 171.6 secs Computing kpt #: 318 total cpu time spent up to now is 172.1 secs Computing kpt #: 319 total cpu time spent up to now is 172.7 secs Computing kpt #: 320 total cpu time spent up to now is 173.3 secs Computing kpt #: 321 total cpu time spent up to now is 173.8 secs Computing kpt #: 322 total cpu time spent up to now is 174.4 secs Computing kpt #: 323 total cpu time spent up to now is 174.9 secs Computing kpt #: 324 total cpu time spent up to now is 175.5 secs Computing kpt #: 325 total cpu time spent up to now is 176.0 secs Computing kpt #: 326 total cpu time spent up to now is 176.5 secs Computing kpt #: 327 total cpu time spent up to now is 177.1 secs Computing kpt #: 328 total cpu time spent up to now is 177.6 secs Computing kpt #: 329 total cpu time spent up to now is 178.1 secs Computing kpt #: 330 total cpu time spent up to now is 178.6 secs Computing kpt #: 331 total cpu time spent up to now is 179.1 secs Computing kpt #: 332 total cpu time spent up to now is 179.6 secs Computing kpt #: 333 total cpu time spent up to now is 180.1 secs Computing kpt #: 334 total cpu time spent up to now is 180.6 secs Computing kpt #: 335 total cpu time spent up to now is 181.1 secs Computing kpt #: 336 total cpu time spent up to now is 181.5 secs Computing kpt #: 337 total cpu time spent up to now is 182.0 secs Computing kpt #: 338 total cpu time spent up to now is 182.8 secs Computing kpt #: 339 total cpu time spent up to now is 183.2 secs Computing kpt #: 340 total cpu time spent up to now is 183.7 secs Computing kpt #: 341 total cpu time spent up to now is 184.2 secs Computing kpt #: 342 total cpu time spent up to now is 184.7 secs Computing kpt #: 343 total cpu time spent up to now is 185.2 secs Computing kpt #: 344 total cpu time spent up to now is 185.7 secs Computing kpt #: 345 total cpu time spent up to now is 186.2 secs Computing kpt #: 346 total cpu time spent up to now is 186.7 secs Computing kpt #: 347 total cpu time spent up to now is 187.2 secs Computing kpt #: 348 total cpu time spent up to now is 187.7 secs Computing kpt #: 349 total cpu time spent up to now is 188.3 secs Computing kpt #: 350 total cpu time spent up to now is 188.8 secs Computing kpt #: 351 total cpu time spent up to now is 189.4 secs Computing kpt #: 352 total cpu time spent up to now is 190.0 secs Computing kpt #: 353 total cpu time spent up to now is 190.5 secs Computing kpt #: 354 total cpu time spent up to now is 191.0 secs Computing kpt #: 355 total cpu time spent up to now is 191.5 secs Computing kpt #: 356 total cpu time spent up to now is 192.0 secs Computing kpt #: 357 total cpu time spent up to now is 192.5 secs Computing kpt #: 358 total cpu time spent up to now is 193.0 secs Computing kpt #: 359 total cpu time spent up to now is 193.6 secs Computing kpt #: 360 total cpu time spent up to now is 194.1 secs Computing kpt #: 361 total cpu time spent up to now is 194.6 secs Computing kpt #: 362 total cpu time spent up to now is 195.1 secs Computing kpt #: 363 total cpu time spent up to now is 195.7 secs Computing kpt #: 364 total cpu time spent up to now is 196.3 secs Computing kpt #: 365 total cpu time spent up to now is 196.8 secs Computing kpt #: 366 total cpu time spent up to now is 197.4 secs Computing kpt #: 367 total cpu time spent up to now is 197.9 secs Computing kpt #: 368 total cpu time spent up to now is 198.5 secs Computing kpt #: 369 total cpu time spent up to now is 199.0 secs Computing kpt #: 370 total cpu time spent up to now is 199.5 secs Computing kpt #: 371 total cpu time spent up to now is 200.0 secs Computing kpt #: 372 total cpu time spent up to now is 200.5 secs Computing kpt #: 373 total cpu time spent up to now is 201.0 secs Computing kpt #: 374 total cpu time spent up to now is 201.4 secs Computing kpt #: 375 total cpu time spent up to now is 201.9 secs Computing kpt #: 376 total cpu time spent up to now is 202.3 secs Computing kpt #: 377 total cpu time spent up to now is 202.8 secs Computing kpt #: 378 total cpu time spent up to now is 203.2 secs Computing kpt #: 379 total cpu time spent up to now is 203.7 secs Computing kpt #: 380 total cpu time spent up to now is 204.2 secs Computing kpt #: 381 total cpu time spent up to now is 204.7 secs Computing kpt #: 382 total cpu time spent up to now is 205.2 secs Computing kpt #: 383 total cpu time spent up to now is 205.8 secs Computing kpt #: 384 total cpu time spent up to now is 206.3 secs Computing kpt #: 385 total cpu time spent up to now is 206.8 secs Computing kpt #: 386 total cpu time spent up to now is 207.3 secs Computing kpt #: 387 total cpu time spent up to now is 207.7 secs Computing kpt #: 388 total cpu time spent up to now is 208.2 secs Computing kpt #: 389 total cpu time spent up to now is 208.6 secs Computing kpt #: 390 total cpu time spent up to now is 209.1 secs Computing kpt #: 391 total cpu time spent up to now is 209.5 secs Computing kpt #: 392 total cpu time spent up to now is 210.0 secs Computing kpt #: 393 total cpu time spent up to now is 210.5 secs Computing kpt #: 394 total cpu time spent up to now is 210.9 secs Computing kpt #: 395 total cpu time spent up to now is 211.4 secs Computing kpt #: 396 total cpu time spent up to now is 211.9 secs Computing kpt #: 397 total cpu time spent up to now is 212.4 secs Computing kpt #: 398 total cpu time spent up to now is 212.8 secs Computing kpt #: 399 total cpu time spent up to now is 213.3 secs Computing kpt #: 400 total cpu time spent up to now is 213.8 secs Computing kpt #: 401 total cpu time spent up to now is 214.3 secs Computing kpt #: 402 total cpu time spent up to now is 214.8 secs Computing kpt #: 403 total cpu time spent up to now is 215.3 secs Computing kpt #: 404 total cpu time spent up to now is 215.8 secs Computing kpt #: 405 total cpu time spent up to now is 216.3 secs Computing kpt #: 406 total cpu time spent up to now is 216.9 secs Computing kpt #: 407 total cpu time spent up to now is 217.5 secs Computing kpt #: 408 total cpu time spent up to now is 218.0 secs Computing kpt #: 409 total cpu time spent up to now is 218.6 secs Computing kpt #: 410 total cpu time spent up to now is 219.2 secs Computing kpt #: 411 total cpu time spent up to now is 219.8 secs Computing kpt #: 412 total cpu time spent up to now is 220.4 secs Computing kpt #: 413 total cpu time spent up to now is 221.0 secs Computing kpt #: 414 total cpu time spent up to now is 221.5 secs Computing kpt #: 415 total cpu time spent up to now is 222.1 secs Computing kpt #: 416 total cpu time spent up to now is 222.6 secs Computing kpt #: 417 total cpu time spent up to now is 223.1 secs Computing kpt #: 418 total cpu time spent up to now is 223.6 secs Computing kpt #: 419 total cpu time spent up to now is 224.1 secs Computing kpt #: 420 total cpu time spent up to now is 224.6 secs Computing kpt #: 421 total cpu time spent up to now is 225.1 secs Computing kpt #: 422 total cpu time spent up to now is 225.7 secs Computing kpt #: 423 total cpu time spent up to now is 226.2 secs Computing kpt #: 424 total cpu time spent up to now is 226.7 secs Computing kpt #: 425 total cpu time spent up to now is 227.3 secs Computing kpt #: 426 total cpu time spent up to now is 227.8 secs Computing kpt #: 427 total cpu time spent up to now is 228.3 secs Computing kpt #: 428 total cpu time spent up to now is 228.8 secs ethr = 2.50E-08, avg # of iterations = 20.1 total cpu time spent up to now is 228.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0084 -23.0084 -15.4233 -15.4233 -15.3409 -15.3409 -15.3238 -15.3238 -15.2905 -15.2905 0.4434 0.4434 2.5851 2.5851 4.4019 4.4019 9.3102 9.3102 10.0042 10.0042 10.0403 10.0403 10.1280 10.1280 10.5253 10.5253 10.5520 10.5520 10.8021 10.8021 10.8199 10.8199 13.2227 13.2227 14.2247 14.2247 14.4314 14.4314 14.7888 14.7888 14.9191 14.9191 k = 0.0058 0.0227-0.0000 ( 3725 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0085 -23.0085 -15.4233 -15.4233 -15.3411 -15.3411 -15.3238 -15.3238 -15.2906 -15.2906 0.4450 0.4450 2.5858 2.5858 4.4037 4.4037 9.2974 9.2974 10.0029 10.0029 10.0384 10.0384 10.1289 10.1289 10.5199 10.5199 10.5493 10.5493 10.8137 10.8137 10.8215 10.8215 13.2274 13.2274 14.2291 14.2291 14.4325 14.4325 14.7879 14.7879 14.8751 14.8751 k = 0.0116 0.0453-0.0000 ( 3725 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0310 -23.0310 -23.0086 -23.0086 -15.4234 -15.4234 -15.3415 -15.3415 -15.3241 -15.3241 -15.2905 -15.2905 0.4499 0.4499 2.5879 2.5879 4.4092 4.4092 9.2598 9.2598 9.9985 9.9985 10.0338 10.0338 10.1318 10.1318 10.4842 10.4842 10.5679 10.5679 10.8121 10.8121 10.8544 10.8544 13.2411 13.2411 14.2424 14.2424 14.4359 14.4359 14.7791 14.7791 14.7901 14.7901 k = 0.0174 0.0680-0.0000 ( 3729 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0311 -23.0311 -23.0087 -23.0087 -15.4235 -15.4235 -15.3421 -15.3421 -15.3245 -15.3245 -15.2905 -15.2905 0.4581 0.4581 2.5914 2.5914 4.4184 4.4184 9.1992 9.1992 9.9898 9.9898 10.0294 10.0294 10.1367 10.1367 10.4335 10.4335 10.6013 10.6013 10.8041 10.8041 10.8999 10.8999 13.2627 13.2627 14.2649 14.2649 14.4415 14.4415 14.6728 14.6728 14.7820 14.7820 k = 0.0232 0.0907-0.0000 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0312 -23.0312 -23.0088 -23.0088 -15.4236 -15.4236 -15.3430 -15.3430 -15.3251 -15.3251 -15.2904 -15.2904 0.4696 0.4696 2.5962 2.5962 4.4312 4.4312 9.1185 9.1185 9.9741 9.9741 10.0278 10.0278 10.1439 10.1439 10.3806 10.3806 10.6412 10.6412 10.7929 10.7929 10.9484 10.9484 13.2903 13.2903 14.2970 14.2970 14.4491 14.4491 14.5547 14.5547 14.7759 14.7759 k = 0.0289 0.1134-0.0000 ( 3719 PWs) bands (ev): -48.6581 -48.6581 -48.6539 -48.6539 -23.0314 -23.0314 -23.0089 -23.0089 -15.4238 -15.4238 -15.3441 -15.3441 -15.3258 -15.3258 -15.2903 -15.2903 0.4843 0.4843 2.6024 2.6024 4.4476 4.4476 9.0207 9.0207 9.9480 9.9480 10.0302 10.0302 10.1532 10.1532 10.3324 10.3324 10.6834 10.6834 10.7789 10.7789 10.9969 10.9969 13.3217 13.3217 14.3373 14.3373 14.4330 14.4330 14.4610 14.4610 14.7679 14.7679 k = 0.0347 0.1360-0.0000 ( 3719 PWs) bands (ev): -48.6581 -48.6581 -48.6539 -48.6539 -23.0316 -23.0316 -23.0092 -23.0092 -15.4240 -15.4240 -15.3456 -15.3456 -15.3266 -15.3266 -15.2902 -15.2902 0.5023 0.5023 2.6100 2.6100 4.4677 4.4677 8.9092 8.9092 9.9080 9.9080 10.0370 10.0370 10.1646 10.1646 10.2942 10.2942 10.7238 10.7238 10.7634 10.7634 11.0441 11.0441 13.3541 13.3541 14.3029 14.3029 14.3972 14.3972 14.4724 14.4724 14.7582 14.7582 k = 0.0405 0.1587-0.0000 ( 3709 PWs) bands (ev): -48.6580 -48.6580 -48.6538 -48.6538 -23.0318 -23.0318 -23.0093 -23.0093 -15.4243 -15.4243 -15.3472 -15.3472 -15.3275 -15.3275 -15.2900 -15.2900 0.5235 0.5235 2.6188 2.6188 4.4913 4.4913 8.7869 8.7869 9.8525 9.8525 10.0480 10.0480 10.1780 10.1780 10.2689 10.2689 10.7363 10.7363 10.7710 10.7710 11.0895 11.0895 13.3851 13.3851 14.1829 14.1829 14.4505 14.4505 14.4886 14.4886 14.7480 14.7480 k = 0.0463 0.1814-0.0000 ( 3717 PWs) bands (ev): -48.6580 -48.6580 -48.6538 -48.6538 -23.0322 -23.0322 -23.0097 -23.0097 -15.4246 -15.4246 -15.3492 -15.3492 -15.3286 -15.3286 -15.2899 -15.2899 0.5479 0.5479 2.6290 2.6290 4.5185 4.5185 8.6560 8.6560 9.7828 9.7828 10.0629 10.0629 10.1926 10.1926 10.2564 10.2564 10.7161 10.7161 10.8058 10.8058 11.1326 11.1326 13.4126 13.4126 14.0622 14.0622 14.4901 14.4901 14.5184 14.5184 14.7405 14.7405 k = 0.0521 0.2040-0.0000 ( 3713 PWs) bands (ev): -48.6579 -48.6579 -48.6537 -48.6537 -23.0324 -23.0324 -23.0101 -23.0101 -15.4250 -15.4250 -15.3514 -15.3514 -15.3297 -15.3297 -15.2897 -15.2897 0.5754 0.5754 2.6404 2.6404 4.5492 4.5492 8.5184 8.5184 9.7016 9.7016 10.0812 10.0812 10.2076 10.2076 10.2554 10.2554 10.6915 10.6915 10.8388 10.8388 11.1735 11.1735 13.4349 13.4349 13.9430 13.9430 14.5090 14.5090 14.5472 14.5472 14.7363 14.7363 k = 0.0579 0.2267-0.0000 ( 3713 PWs) bands (ev): -48.6579 -48.6579 -48.6537 -48.6537 -23.0328 -23.0328 -23.0104 -23.0104 -15.4255 -15.4255 -15.3537 -15.3537 -15.3310 -15.3310 -15.2895 -15.2895 0.6062 0.6062 2.6531 2.6531 4.5833 4.5833 8.3758 8.3758 9.6121 9.6121 10.1025 10.1025 10.2216 10.2216 10.2646 10.2646 10.6646 10.6646 10.8681 10.8681 11.2121 11.2121 13.4508 13.4508 13.8262 13.8262 14.5166 14.5166 14.5514 14.5514 14.7223 14.7223 k = 0.0637 0.2494-0.0000 ( 3709 PWs) bands (ev): -48.6578 -48.6578 -48.6536 -48.6536 -23.0331 -23.0331 -23.0109 -23.0109 -15.4260 -15.4260 -15.3564 -15.3564 -15.3322 -15.3322 -15.2893 -15.2893 0.6400 0.6400 2.6670 2.6670 4.6209 4.6209 8.2293 8.2293 9.5163 9.5163 10.1263 10.1263 10.2345 10.2345 10.2823 10.2823 10.6358 10.6358 10.8932 10.8932 11.2484 11.2484 13.4593 13.4593 13.7125 13.7125 14.4920 14.4920 14.5599 14.5599 14.6969 14.6969 k = 0.0695 0.2721-0.0000 ( 3705 PWs) bands (ev): -48.6577 -48.6577 -48.6535 -48.6535 -23.0335 -23.0335 -23.0113 -23.0113 -15.4266 -15.4266 -15.3592 -15.3592 -15.3336 -15.3336 -15.2890 -15.2890 0.6770 0.6770 2.6821 2.6821 4.6618 4.6618 8.0799 8.0799 9.4159 9.4159 10.1523 10.1523 10.2476 10.2476 10.3058 10.3058 10.6053 10.6053 10.9140 10.9140 11.2824 11.2824 13.4584 13.4584 13.6038 13.6038 14.4449 14.4449 14.5755 14.5755 14.6713 14.6713 k = 0.0753 0.2947-0.0000 ( 3709 PWs) bands (ev): -48.6576 -48.6576 -48.6535 -48.6535 -23.0339 -23.0339 -23.0118 -23.0118 -15.4274 -15.4274 -15.3623 -15.3623 -15.3349 -15.3349 -15.2887 -15.2887 0.7170 0.7170 2.6983 2.6983 4.7060 4.7060 7.9284 7.9284 9.3122 9.3122 10.1796 10.1796 10.2622 10.2622 10.3334 10.3334 10.5737 10.5737 10.9302 10.9302 11.3142 11.3142 13.4372 13.4372 13.5109 13.5109 14.3906 14.3906 14.5889 14.5889 14.6527 14.6527 k = 0.0810 0.3174-0.0000 ( 3709 PWs) bands (ev): -48.6576 -48.6576 -48.6534 -48.6534 -23.0344 -23.0344 -23.0124 -23.0124 -15.4282 -15.4282 -15.3655 -15.3655 -15.3363 -15.3363 -15.2884 -15.2884 0.7601 0.7601 2.7156 2.7156 4.7534 4.7534 7.7754 7.7754 9.2059 9.2059 10.2072 10.2072 10.2791 10.2791 10.3639 10.3639 10.5412 10.5412 10.9416 10.9416 11.3440 11.3440 13.3630 13.3630 13.4669 13.4669 14.3363 14.3363 14.5923 14.5923 14.6481 14.6481 k = 0.0868 0.3401-0.0000 ( 3705 PWs) bands (ev): -48.6575 -48.6575 -48.6533 -48.6533 -23.0348 -23.0348 -23.0129 -23.0129 -15.4290 -15.4290 -15.3688 -15.3688 -15.3376 -15.3376 -15.2881 -15.2881 0.8061 0.8061 2.7339 2.7339 4.8040 4.8040 7.6216 7.6216 9.0978 9.0978 10.2338 10.2338 10.2992 10.2992 10.3965 10.3965 10.5090 10.5090 10.9480 10.9480 11.3717 11.3717 13.2648 13.2648 13.4431 13.4431 14.2862 14.2862 14.5858 14.5858 14.6558 14.6558 k = 0.0926 0.3627-0.0000 ( 3703 PWs) bands (ev): -48.6574 -48.6574 -48.6532 -48.6532 -23.0352 -23.0352 -23.0135 -23.0135 -15.4301 -15.4301 -15.3723 -15.3723 -15.3389 -15.3389 -15.2878 -15.2878 0.8551 0.8551 2.7532 2.7532 4.8576 4.8576 7.4674 7.4674 8.9883 8.9883 10.2574 10.2574 10.3234 10.3234 10.4275 10.4275 10.4810 10.4810 10.9489 10.9489 11.3976 11.3976 13.1652 13.1652 13.4179 13.4179 14.2426 14.2426 14.5780 14.5780 14.6650 14.6650 k = 0.0984 0.3854-0.0000 ( 3699 PWs) bands (ev): -48.6573 -48.6573 -48.6531 -48.6531 -23.0357 -23.0357 -23.0141 -23.0141 -15.4312 -15.4312 -15.3758 -15.3758 -15.3402 -15.3402 -15.2874 -15.2874 0.9070 0.9070 2.7734 2.7734 4.9140 4.9140 7.3133 7.3133 8.8779 8.8779 10.2770 10.2770 10.3508 10.3508 10.4299 10.4299 10.4857 10.4857 10.9440 10.9440 11.4218 11.4218 13.0674 13.0674 13.3894 13.3894 14.2069 14.2069 14.5732 14.5732 14.6688 14.6688 k = 0.1042 0.4081-0.0000 ( 3707 PWs) bands (ev): -48.6572 -48.6572 -48.6530 -48.6530 -23.0363 -23.0363 -23.0147 -23.0147 -15.4325 -15.4325 -15.3795 -15.3795 -15.3414 -15.3414 -15.2870 -15.2870 0.9617 0.9617 2.7944 2.7944 4.9733 4.9733 7.1596 7.1596 8.7671 8.7671 10.2923 10.2923 10.3709 10.3709 10.4149 10.4149 10.5222 10.5222 10.9330 10.9330 11.4446 11.4446 12.9721 12.9721 13.3586 13.3586 14.1793 14.1793 14.5723 14.5723 14.6647 14.6647 k = 0.1100 0.4308-0.0000 ( 3711 PWs) bands (ev): -48.6571 -48.6571 -48.6529 -48.6529 -23.0367 -23.0367 -23.0154 -23.0154 -15.4339 -15.4339 -15.3834 -15.3834 -15.3425 -15.3425 -15.2867 -15.2867 1.0192 1.0192 2.8162 2.8162 5.0352 5.0352 7.0066 7.0066 8.6561 8.6561 10.3018 10.3018 10.3578 10.3578 10.4349 10.4349 10.5650 10.5650 10.9155 10.9155 11.4663 11.4663 12.8795 12.8795 13.3275 13.3275 14.1597 14.1597 14.5743 14.5743 14.6540 14.6540 k = 0.1158 0.4534-0.0000 ( 3705 PWs) bands (ev): -48.6570 -48.6570 -48.6528 -48.6528 -23.0372 -23.0372 -23.0161 -23.0161 -15.4353 -15.4353 -15.3872 -15.3872 -15.3435 -15.3435 -15.2863 -15.2863 1.0794 1.0794 2.8387 2.8387 5.0994 5.0994 6.8550 6.8550 8.5454 8.5454 10.2969 10.2969 10.3424 10.3424 10.4700 10.4700 10.6110 10.6110 10.8912 10.8912 11.4871 11.4871 12.7898 12.7898 13.2982 13.2982 14.1473 14.1473 14.5741 14.5741 14.6431 14.6431 k = 0.1216 0.4761-0.0000 ( 3709 PWs) bands (ev): -48.6569 -48.6569 -48.6527 -48.6527 -23.0378 -23.0378 -23.0167 -23.0167 -15.4370 -15.4370 -15.3911 -15.3911 -15.3445 -15.3445 -15.2859 -15.2859 1.1422 1.1422 2.8619 2.8619 5.1655 5.1655 6.7050 6.7050 8.4353 8.4353 10.2722 10.2722 10.3423 10.3423 10.5076 10.5076 10.6596 10.6596 10.8605 10.8605 11.5076 11.5076 12.7031 12.7031 13.2726 13.2726 14.1414 14.1414 14.5615 14.5615 14.6435 14.6435 k = 0.1274 0.4988-0.0000 ( 3709 PWs) bands (ev): -48.6568 -48.6568 -48.6526 -48.6526 -23.0383 -23.0383 -23.0174 -23.0174 -15.4386 -15.4386 -15.3949 -15.3949 -15.3454 -15.3454 -15.2855 -15.2855 1.2077 1.2077 2.8855 2.8855 5.2332 5.2332 6.5574 6.5574 8.3260 8.3260 10.2406 10.2406 10.3466 10.3466 10.5445 10.5445 10.7104 10.7104 10.8244 10.8244 11.5281 11.5281 12.6195 12.6195 13.2525 13.2525 14.1413 14.1413 14.5334 14.5334 14.6585 14.6585 k = 0.1332 0.5214-0.0000 ( 3709 PWs) bands (ev): -48.6567 -48.6567 -48.6525 -48.6525 -23.0388 -23.0388 -23.0180 -23.0180 -15.4404 -15.4404 -15.3988 -15.3988 -15.3461 -15.3461 -15.2851 -15.2851 1.2756 1.2756 2.9097 2.9097 5.3014 5.3014 6.4130 6.4130 8.2178 8.2178 10.2075 10.2075 10.3501 10.3501 10.5769 10.5769 10.7610 10.7610 10.7883 10.7883 11.5490 11.5490 12.5389 12.5389 13.2394 13.2394 14.1464 14.1464 14.4954 14.4954 14.6824 14.6824 k = 0.1389 0.5441-0.0000 ( 3713 PWs) bands (ev): -48.6566 -48.6566 -48.6524 -48.6524 -23.0394 -23.0394 -23.0187 -23.0187 -15.4423 -15.4423 -15.4026 -15.4026 -15.3469 -15.3469 -15.2847 -15.2847 1.3459 1.3459 2.9342 2.9342 5.3684 5.3684 6.2737 6.2737 8.1111 8.1111 10.1745 10.1745 10.3513 10.3513 10.5948 10.5948 10.7518 10.7518 10.8218 10.8218 11.5708 11.5708 12.4613 12.4613 13.2341 13.2341 14.1559 14.1559 14.4506 14.4506 14.7109 14.7109 k = 0.1447 0.5668-0.0000 ( 3713 PWs) bands (ev): -48.6565 -48.6565 -48.6524 -48.6524 -23.0399 -23.0399 -23.0193 -23.0193 -15.4441 -15.4441 -15.4064 -15.4064 -15.3475 -15.3475 -15.2843 -15.2843 1.4185 1.4185 2.9590 2.9590 5.4310 5.4310 6.1428 6.1428 8.0061 8.0061 10.1420 10.1420 10.3499 10.3499 10.5788 10.5788 10.7475 10.7475 10.8792 10.8792 11.5940 11.5940 12.3869 12.3869 13.2374 13.2374 14.1695 14.1695 14.4007 14.4007 14.7407 14.7407 k = 0.1505 0.5895-0.0000 ( 3718 PWs) bands (ev): -48.6564 -48.6564 -48.6523 -48.6523 -23.0404 -23.0404 -23.0199 -23.0199 -15.4461 -15.4461 -15.4101 -15.4101 -15.3480 -15.3480 -15.2840 -15.2840 1.4932 1.4932 2.9840 2.9840 5.4811 5.4811 6.0283 6.0283 7.9032 7.9032 10.1104 10.1104 10.3453 10.3453 10.5284 10.5284 10.7704 10.7704 10.9393 10.9393 11.6186 11.6186 12.3156 12.3156 13.2494 13.2494 14.1863 14.1863 14.3468 14.3468 14.7680 14.7680 k = 0.1563 0.6121-0.0000 ( 3722 PWs) bands (ev): -48.6563 -48.6563 -48.6522 -48.6522 -23.0410 -23.0410 -23.0206 -23.0206 -15.4480 -15.4480 -15.4138 -15.4138 -15.3484 -15.3484 -15.2836 -15.2836 1.5699 1.5699 3.0091 3.0091 5.5013 5.5013 5.9476 5.9476 7.8025 7.8025 10.0799 10.0799 10.3373 10.3373 10.4599 10.4599 10.8054 10.8054 11.0016 11.0016 11.6452 11.6452 12.2474 12.2474 13.2700 13.2700 14.2035 14.2035 14.2921 14.2921 14.7881 14.7881 k = 0.1621 0.6348-0.0000 ( 3718 PWs) bands (ev): -48.6562 -48.6562 -48.6521 -48.6521 -23.0414 -23.0414 -23.0211 -23.0211 -15.4500 -15.4500 -15.4173 -15.4173 -15.3487 -15.3487 -15.2832 -15.2832 1.6485 1.6485 3.0344 3.0344 5.4688 5.4688 5.9236 5.9236 7.7045 7.7045 10.0506 10.0506 10.3238 10.3238 10.3838 10.3838 10.8448 10.8448 11.0661 11.0661 11.6736 11.6736 12.1824 12.1824 13.2990 13.2990 14.1989 14.1989 14.2592 14.2592 14.7953 14.7953 k = 0.1679 0.6575-0.0000 ( 3710 PWs) bands (ev): -48.6561 -48.6561 -48.6520 -48.6520 -23.0419 -23.0419 -23.0215 -23.0215 -15.4519 -15.4519 -15.4206 -15.4206 -15.3489 -15.3489 -15.2828 -15.2828 1.7287 1.7287 3.0597 3.0597 5.3855 5.3855 5.9542 5.9542 7.6093 7.6093 10.0228 10.0228 10.2808 10.2808 10.3271 10.3271 10.8858 10.8858 11.1327 11.1327 11.7040 11.7040 12.1206 12.1206 13.3360 13.3360 14.1452 14.1452 14.2758 14.2758 14.7848 14.7848 k = 0.1737 0.6801-0.0000 ( 3714 PWs) bands (ev): -48.6561 -48.6561 -48.6519 -48.6519 -23.0424 -23.0424 -23.0221 -23.0221 -15.4538 -15.4538 -15.4238 -15.4238 -15.3491 -15.3491 -15.2825 -15.2825 1.8103 1.8103 3.0851 3.0851 5.2748 5.2748 6.0159 6.0159 7.5174 7.5174 9.9964 9.9964 10.1949 10.1949 10.3055 10.3055 10.9276 10.9276 11.2012 11.2012 11.7360 11.7360 12.0623 12.0623 13.3802 13.3802 14.0784 14.0784 14.3062 14.3062 14.7551 14.7551 k = 0.1795 0.7028-0.0000 ( 3718 PWs) bands (ev): -48.6560 -48.6560 -48.6519 -48.6519 -23.0428 -23.0428 -23.0227 -23.0227 -15.4556 -15.4556 -15.4269 -15.4269 -15.3492 -15.3492 -15.2822 -15.2822 1.8928 1.8928 3.1106 3.1106 5.1525 5.1525 6.0930 6.0930 7.4291 7.4291 9.9717 9.9717 10.1000 10.1000 10.2863 10.2863 10.9696 10.9696 11.2716 11.2716 11.7691 11.7691 12.0079 12.0079 13.4311 13.4311 14.0076 14.0076 14.3420 14.3420 14.7093 14.7093 k = 0.1853 0.7255-0.0000 ( 3720 PWs) bands (ev): -48.6559 -48.6559 -48.6518 -48.6518 -23.0432 -23.0432 -23.0232 -23.0232 -15.4573 -15.4573 -15.4299 -15.4299 -15.3493 -15.3493 -15.2820 -15.2820 1.9760 1.9760 3.1363 3.1363 5.0255 5.0255 6.1782 6.1782 7.3447 7.3447 9.9487 9.9487 10.0012 10.0012 10.2657 10.2657 11.0115 11.0115 11.3437 11.3437 11.8014 11.8014 11.9588 11.9588 13.4878 13.4878 13.9344 13.9344 14.3816 14.3816 14.6525 14.6525 k = 0.1910 0.7482-0.0000 ( 3716 PWs) bands (ev): -48.6558 -48.6558 -48.6517 -48.6517 -23.0435 -23.0435 -23.0236 -23.0236 -15.4589 -15.4589 -15.4326 -15.4326 -15.3493 -15.3493 -15.2817 -15.2817 2.0594 2.0594 3.1626 3.1626 4.8970 4.8970 6.2684 6.2684 7.2646 7.2646 9.8995 9.8995 9.9276 9.9276 10.2434 10.2434 11.0534 11.0534 11.4173 11.4173 11.8262 11.8262 11.9218 11.9218 13.5495 13.5495 13.8598 13.8598 14.4242 14.4242 14.5903 14.5903 k = 0.1968 0.7708-0.0000 ( 3720 PWs) bands (ev): -48.6558 -48.6558 -48.6517 -48.6517 -23.0439 -23.0439 -23.0240 -23.0240 -15.4605 -15.4605 -15.4351 -15.4351 -15.3493 -15.3493 -15.2815 -15.2815 2.1422 2.1422 3.1897 3.1897 4.7684 4.7684 6.3617 6.3617 7.1892 7.1892 9.7962 9.7962 9.9081 9.9081 10.2196 10.2196 11.0952 11.0952 11.4920 11.4920 11.8220 11.8220 11.9179 11.9179 13.6150 13.6150 13.7844 13.7844 14.4637 14.4637 14.5325 14.5325 k = 0.2026 0.7935-0.0000 ( 3720 PWs) bands (ev): -48.6557 -48.6557 -48.6516 -48.6516 -23.0442 -23.0442 -23.0244 -23.0244 -15.4619 -15.4619 -15.4374 -15.4374 -15.3493 -15.3493 -15.2813 -15.2813 2.2236 2.2236 3.2182 3.2182 4.6404 4.6404 6.4571 6.4571 7.1193 7.1193 9.6918 9.6918 9.8907 9.8907 10.1946 10.1946 11.1368 11.1368 11.5669 11.5669 11.7915 11.7915 11.9449 11.9449 13.6801 13.6801 13.7119 13.7119 14.4435 14.4435 14.5384 14.5384 k = 0.2084 0.8162-0.0000 ( 3720 PWs) bands (ev): -48.6557 -48.6557 -48.6516 -48.6516 -23.0445 -23.0445 -23.0248 -23.0248 -15.4631 -15.4631 -15.4395 -15.4395 -15.3492 -15.3492 -15.2812 -15.2812 2.3026 2.3026 3.2488 3.2488 4.5136 4.5136 6.5531 6.5531 7.0556 7.0556 9.5870 9.5870 9.8752 9.8752 10.1684 10.1684 11.1784 11.1784 11.6377 11.6377 11.7600 11.7600 11.9806 11.9806 13.6306 13.6306 13.7562 13.7562 14.3838 14.3838 14.5902 14.5902 k = 0.2142 0.8388-0.0000 ( 3724 PWs) bands (ev): -48.6556 -48.6556 -48.6515 -48.6515 -23.0448 -23.0448 -23.0251 -23.0251 -15.4643 -15.4643 -15.4414 -15.4414 -15.3492 -15.3492 -15.2811 -15.2811 2.3778 2.3778 3.2827 3.2827 4.3883 4.3883 6.6475 6.6475 7.0002 7.0002 9.4823 9.4823 9.8618 9.8618 10.1415 10.1415 11.2200 11.2200 11.6759 11.6759 11.7620 11.7620 12.0183 12.0183 13.5557 13.5557 13.8269 13.8269 14.3243 14.3243 14.6499 14.6499 k = 0.2200 0.8615-0.0000 ( 3724 PWs) bands (ev): -48.6556 -48.6556 -48.6515 -48.6515 -23.0450 -23.0450 -23.0254 -23.0254 -15.4652 -15.4652 -15.4429 -15.4429 -15.3491 -15.3491 -15.2811 -15.2811 2.4478 2.4478 3.3212 3.3212 4.2646 4.2646 6.7340 6.7340 6.9591 6.9591 9.3784 9.3784 9.8505 9.8505 10.1140 10.1140 11.2618 11.2618 11.6562 11.6562 11.8236 11.8236 12.0563 12.0563 13.4815 13.4815 13.8968 13.8968 14.2693 14.2693 14.7150 14.7150 k = 0.2258 0.8842-0.0000 ( 3732 PWs) bands (ev): -48.6555 -48.6555 -48.6515 -48.6515 -23.0452 -23.0452 -23.0256 -23.0256 -15.4660 -15.4660 -15.4443 -15.4443 -15.3490 -15.3490 -15.2810 -15.2810 2.5107 2.5107 3.3656 3.3656 4.1427 4.1427 6.7901 6.7901 6.9546 6.9546 9.2759 9.2759 9.8412 9.8412 10.0862 10.0862 11.3038 11.3038 11.6239 11.6239 11.8986 11.8986 12.0941 12.0941 13.4089 13.4089 13.9638 13.9638 14.2210 14.2210 14.7852 14.7852 k = 0.2316 0.9069-0.0000 ( 3728 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0258 -23.0258 -15.4666 -15.4666 -15.4453 -15.4453 -15.3489 -15.3489 -15.2810 -15.2810 2.5650 2.5650 3.4174 3.4174 4.0227 4.0227 6.7911 6.7911 7.0109 7.0109 9.1757 9.1757 9.8340 9.8340 10.0582 10.0582 11.3461 11.3461 11.5905 11.5905 11.9733 11.9733 12.1327 12.1327 13.3382 13.3382 14.0248 14.0248 14.1821 14.1821 14.8606 14.8606 k = 0.2374 0.9295-0.0000 ( 3724 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0259 -23.0259 -15.4670 -15.4670 -15.4461 -15.4461 -15.3488 -15.3488 -15.2810 -15.2810 2.6092 2.6092 3.4780 3.4780 3.9047 3.9047 6.7674 6.7674 7.0970 7.0970 9.0785 9.0785 9.8289 9.8289 10.0303 10.0303 11.3889 11.3889 11.5576 11.5576 12.0412 12.0412 12.1757 12.1757 13.2699 13.2699 14.0720 14.0720 14.1593 14.1593 14.9413 14.9413 k = 0.2431 0.9522-0.0000 ( 3716 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0259 -23.0259 -15.4672 -15.4672 -15.4465 -15.4465 -15.3487 -15.3487 -15.2811 -15.2811 2.6426 2.6426 3.5477 3.5477 3.7889 3.7889 6.7413 6.7413 7.1896 7.1896 8.9854 8.9854 9.8260 9.8260 10.0026 10.0026 11.4322 11.4322 11.5257 11.5257 12.0940 12.0940 12.2297 12.2297 13.2045 13.2045 14.0875 14.0875 14.1698 14.1698 15.0206 15.0206 k = 0.2489 0.9749-0.0000 ( 3724 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0455 -23.0455 -23.0260 -23.0260 -15.4672 -15.4672 -15.4469 -15.4469 -15.3486 -15.3486 -15.2812 -15.2812 2.6649 2.6649 3.6252 3.6252 3.6767 3.6767 6.7184 6.7184 7.2818 7.2818 8.8980 8.8980 9.8251 9.8251 9.9753 9.9753 11.4762 11.4762 11.4945 11.4945 12.1278 12.1278 12.2977 12.2977 13.1425 13.1425 14.0827 14.0827 14.2012 14.2012 14.9936 14.9936 k = 0.2547 0.9975-0.0000 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0261 -23.0261 -15.4670 -15.4670 -15.4469 -15.4469 -15.3485 -15.3485 -15.2814 -15.2814 2.6768 2.6768 3.5621 3.5621 3.7163 3.7163 6.7005 6.7005 7.3698 7.3698 8.8181 8.8181 9.8263 9.8263 9.9487 9.9487 11.4639 11.4639 11.5211 11.5211 12.1461 12.1461 12.3749 12.3749 13.0842 13.0842 14.0804 14.0804 14.2297 14.2297 14.9591 14.9591 k = 0.2605 1.0202-0.0000 ( 3730 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0261 -23.0261 -15.4666 -15.4666 -15.4467 -15.4467 -15.3484 -15.3484 -15.2816 -15.2816 2.6791 2.6791 3.4530 3.4530 3.8120 3.8120 6.6881 6.6881 7.4504 7.4504 8.7487 8.7487 9.8293 9.8293 9.9229 9.9229 11.4338 11.4338 11.5668 11.5668 12.1532 12.1532 12.4563 12.4563 13.0301 13.0301 14.0861 14.0861 14.2489 14.2489 14.9251 14.9251 k = 0.2663 1.0429-0.0000 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0259 -23.0259 -15.4661 -15.4661 -15.4460 -15.4460 -15.3483 -15.3483 -15.2818 -15.2818 2.6728 2.6728 3.3457 3.3457 3.9151 3.9151 6.6814 6.6814 7.5196 7.5196 8.6932 8.6932 9.8340 9.8340 9.8984 9.8984 11.4039 11.4039 11.6135 11.6135 12.1514 12.1514 12.5392 12.5392 12.9807 12.9807 14.1001 14.1001 14.2576 14.2576 14.8924 14.8924 k = 0.2663 1.0429-0.0000 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0259 -23.0259 -15.4661 -15.4661 -15.4460 -15.4460 -15.3483 -15.3483 -15.2818 -15.2818 2.6728 2.6728 3.3457 3.3457 3.9151 3.9151 6.6814 6.6814 7.5196 7.5196 8.6932 8.6932 9.8340 9.8340 9.8984 9.8984 11.4039 11.4039 11.6135 11.6135 12.1514 12.1514 12.5392 12.5392 12.9807 12.9807 14.1001 14.1001 14.2576 14.2576 14.8924 14.8924 k = 0.2441 1.0429-0.0000 ( 3723 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0260 -23.0260 -15.4662 -15.4662 -15.4462 -15.4462 -15.3483 -15.3483 -15.2817 -15.2817 2.6746 2.6746 3.3708 3.3708 3.8910 3.8910 6.6788 6.6788 7.5117 7.5117 8.6963 8.6963 9.8329 9.8329 9.9111 9.9111 11.4107 11.4107 11.5981 11.5981 12.1552 12.1552 12.5224 12.5224 12.9872 12.9872 14.0934 14.0934 14.2558 14.2558 14.9055 14.9055 k = 0.2219 1.0429-0.0000 ( 3724 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0260 -23.0260 -15.4663 -15.4663 -15.4463 -15.4463 -15.3484 -15.3484 -15.2817 -15.2817 2.6755 2.6755 3.3959 3.3959 3.8686 3.8686 6.6694 6.6694 7.5170 7.5170 8.6839 8.6839 9.8318 9.8318 9.9380 9.9380 11.4170 11.4170 11.5747 11.5747 12.1634 12.1634 12.5110 12.5110 12.9848 12.9848 14.0818 14.0818 14.2522 14.2522 14.9298 14.9298 k = 0.1997 1.0429-0.0000 ( 3719 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0260 -23.0260 -15.4664 -15.4664 -15.4465 -15.4465 -15.3484 -15.3484 -15.2816 -15.2816 2.6756 2.6756 3.4205 3.4205 3.8481 3.8481 6.6542 6.6542 7.5347 7.5347 8.6574 8.6574 9.8308 9.8308 9.9771 9.9771 11.4224 11.4224 11.5447 11.5447 12.1750 12.1750 12.5050 12.5050 12.9744 12.9744 14.0658 14.0658 14.2474 14.2474 14.9645 14.9645 k = 0.1775 1.0429-0.0000 ( 3720 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0260 -23.0260 -15.4666 -15.4666 -15.4466 -15.4466 -15.3484 -15.3484 -15.2816 -15.2816 2.6753 2.6753 3.4441 3.4441 3.8295 3.8295 6.6348 6.6348 7.5635 7.5635 8.6189 8.6189 9.8298 9.8298 10.0256 10.0256 11.4262 11.4262 11.5102 11.5102 12.1890 12.1890 12.5042 12.5042 12.9567 12.9567 14.0460 14.0460 14.2422 14.2422 15.0083 15.0083 k = 0.1553 1.0429-0.0000 ( 3714 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0260 -23.0260 -15.4667 -15.4667 -15.4466 -15.4466 -15.3484 -15.3484 -15.2815 -15.2815 2.6746 2.6746 3.4662 3.4662 3.8129 3.8129 6.6130 6.6130 7.6015 7.6015 8.5710 8.5710 9.8290 9.8290 10.0805 10.0805 11.4264 11.4264 11.4748 11.4748 12.2042 12.2042 12.5086 12.5086 12.9332 12.9332 14.0235 14.0235 14.2372 14.2372 15.0597 15.0597 k = 0.1332 1.0429-0.0000 ( 3712 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0260 -23.0260 -15.4668 -15.4668 -15.4466 -15.4466 -15.3484 -15.3484 -15.2814 -15.2814 2.6737 2.6737 3.4864 3.4864 3.7984 3.7984 6.5907 6.5907 7.6468 7.6468 8.5162 8.5162 9.8282 9.8282 10.1385 10.1385 11.4118 11.4118 11.4512 11.4512 12.2196 12.2196 12.5177 12.5177 12.9051 12.9051 13.9999 13.9999 14.2327 14.2327 15.1166 15.1166 k = 0.1110 1.0429-0.0000 ( 3719 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0261 -23.0261 -15.4669 -15.4669 -15.4468 -15.4468 -15.3484 -15.3484 -15.2814 -15.2814 2.6728 2.6728 3.5041 3.5041 3.7861 3.7861 6.5693 6.5693 7.6974 7.6974 8.4570 8.4570 9.8275 9.8275 10.1965 10.1965 11.3772 11.3772 11.4466 11.4466 12.2343 12.2343 12.5310 12.5310 12.8738 12.8738 13.9766 13.9766 14.2290 14.2290 15.1762 15.1762 k = 0.0888 1.0429-0.0000 ( 3727 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0261 -23.0261 -15.4670 -15.4670 -15.4468 -15.4468 -15.3485 -15.3485 -15.2814 -15.2814 2.6719 2.6719 3.5192 3.5192 3.7760 3.7760 6.5503 6.5503 7.7511 7.7511 8.3957 8.3957 9.8270 9.8270 10.2511 10.2511 11.3391 11.3391 11.4466 11.4466 12.2476 12.2476 12.5479 12.5479 12.8410 12.8410 13.9552 13.9552 14.2261 14.2261 15.2354 15.2354 k = 0.0666 1.0429-0.0000 ( 3729 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4671 -15.4671 -15.4469 -15.4469 -15.3485 -15.3485 -15.2814 -15.2814 2.6711 2.6711 3.5312 3.5312 3.7681 3.7681 6.5344 6.5344 7.8055 7.8055 8.3353 8.3353 9.8266 9.8266 10.2992 10.2992 11.3040 11.3040 11.4472 11.4472 12.2586 12.2586 12.5673 12.5673 12.8083 12.8083 13.9372 13.9372 14.2238 14.2238 15.2901 15.2901 k = 0.0444 1.0429-0.0000 ( 3736 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4671 -15.4671 -15.4470 -15.4470 -15.3486 -15.3486 -15.2814 -15.2814 2.6705 2.6705 3.5400 3.5400 3.7625 3.7625 6.5226 6.5226 7.8562 7.8562 8.2801 8.2801 9.8263 9.8263 10.3372 10.3372 11.2757 11.2757 11.4478 11.4478 12.2670 12.2670 12.5874 12.5874 12.7783 12.7783 13.9234 13.9234 14.2223 14.2223 15.3352 15.3352 k = 0.0222 1.0429-0.0000 ( 3733 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4672 -15.4672 -15.4470 -15.4470 -15.3486 -15.3486 -15.2814 -15.2814 2.6702 2.6702 3.5453 3.5453 3.7591 3.7591 6.5153 6.5153 7.8956 7.8956 8.2381 8.2381 9.8261 9.8261 10.3617 10.3617 11.2571 11.2571 11.4481 11.4481 12.2722 12.2722 12.6044 12.6044 12.7552 12.7552 13.9149 13.9149 14.2214 14.2214 15.3657 15.3657 k = 0.0000 1.0429-0.0000 ( 3734 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4672 -15.4672 -15.4470 -15.4470 -15.3486 -15.3486 -15.2814 -15.2814 2.6700 2.6700 3.5471 3.5471 3.7580 3.7580 6.5129 6.5129 7.9113 7.9113 8.2214 8.2214 9.8260 9.8260 10.3702 10.3702 11.2505 11.2505 11.4482 11.4482 12.2739 12.2739 12.6116 12.6116 12.7459 12.7459 13.9120 13.9120 14.2211 14.2211 15.3768 15.3768 k = 0.0000 1.0429-0.0000 ( 3734 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4672 -15.4672 -15.4470 -15.4470 -15.3486 -15.3486 -15.2814 -15.2814 2.6700 2.6700 3.5471 3.5471 3.7580 3.7580 6.5129 6.5129 7.9113 7.9113 8.2214 8.2214 9.8260 9.8260 10.3702 10.3702 11.2505 11.2505 11.4482 11.4482 12.2739 12.2739 12.6116 12.6116 12.7459 12.7459 13.9120 13.9120 14.2211 14.2211 15.3768 15.3858 k = 0.0000 1.0429 0.0233 ( 3734 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0454 -23.0454 -23.0262 -23.0262 -15.4671 -15.4671 -15.4470 -15.4470 -15.3487 -15.3487 -15.2815 -15.2815 2.6710 2.6710 3.5484 3.5484 3.7593 3.7593 6.5140 6.5140 7.9090 7.9090 8.2233 8.2233 9.8234 9.8234 10.3694 10.3694 11.2496 11.2496 11.4399 11.4399 12.2427 12.2427 12.6322 12.6322 12.7454 12.7454 13.9170 13.9170 14.2269 14.2269 15.3587 15.3587 k = 0.0000 1.0429 0.0466 ( 3732 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0455 -23.0455 -23.0263 -23.0263 -15.4671 -15.4671 -15.4470 -15.4470 -15.3490 -15.3490 -15.2818 -15.2818 2.6737 2.6737 3.5523 3.5523 3.7631 3.7631 6.5174 6.5174 7.9024 7.9024 8.2288 8.2288 9.8156 9.8156 10.3673 10.3673 11.2465 11.2465 11.4154 11.4154 12.1671 12.1671 12.6591 12.6591 12.7610 12.7610 13.9314 13.9314 14.2440 14.2440 15.3454 15.3454 k = 0.0000 1.0429 0.0698 ( 3734 PWs) bands (ev): -48.6554 -48.6554 -48.6514 -48.6514 -23.0456 -23.0456 -23.0264 -23.0264 -15.4669 -15.4669 -15.4470 -15.4470 -15.3495 -15.3495 -15.2825 -15.2825 2.6784 2.6784 3.5589 3.5589 3.7696 3.7696 6.5229 6.5229 7.8914 7.8914 8.2380 8.2380 9.8028 9.8028 10.3636 10.3636 11.2407 11.2407 11.3761 11.3761 12.0701 12.0701 12.6456 12.6456 12.8179 12.8179 13.9542 13.9542 14.2720 14.2720 15.3400 15.3400 k = 0.0000 1.0429 0.0931 ( 3730 PWs) bands (ev): -48.6554 -48.6554 -48.6514 -48.6514 -23.0456 -23.0456 -23.0266 -23.0266 -15.4666 -15.4666 -15.4470 -15.4470 -15.3502 -15.3502 -15.2833 -15.2833 2.6849 2.6849 3.5681 3.5681 3.7786 3.7786 6.5305 6.5305 7.8761 7.8761 8.2507 8.2507 9.7857 9.7857 10.3583 10.3583 11.2302 11.2302 11.3253 11.3253 11.9621 11.9621 12.6058 12.6058 12.8932 12.8932 13.9833 13.9833 14.3102 14.3102 15.3421 15.3421 k = 0.0000 1.0429 0.1164 ( 3728 PWs) bands (ev): -48.6554 -48.6554 -48.6513 -48.6513 -23.0457 -23.0457 -23.0268 -23.0268 -15.4664 -15.4664 -15.4471 -15.4471 -15.3511 -15.3511 -15.2844 -15.2844 2.6932 2.6932 3.5798 3.5798 3.7902 3.7902 6.5400 6.5400 7.8567 7.8567 8.2668 8.2668 9.7647 9.7647 10.3513 10.3513 11.2068 11.2068 11.2727 11.2727 11.8479 11.8479 12.5520 12.5520 12.9724 12.9724 14.0167 14.0167 14.3577 14.3577 15.3515 15.3515 k = 0.0000 1.0429 0.1397 ( 3726 PWs) bands (ev): -48.6553 -48.6553 -48.6513 -48.6513 -23.0458 -23.0458 -23.0271 -23.0271 -15.4660 -15.4660 -15.4471 -15.4471 -15.3522 -15.3522 -15.2857 -15.2857 2.7034 2.7034 3.5941 3.5941 3.8044 3.8044 6.5512 6.5512 7.8334 7.8334 8.2863 8.2863 9.7405 9.7405 10.3425 10.3425 11.1514 11.1514 11.2385 11.2385 11.7302 11.7302 12.4884 12.4884 13.0516 13.0516 14.0521 14.0521 14.4133 14.4133 15.3682 15.3682 k = 0.0000 1.0429 0.1630 ( 3718 PWs) bands (ev): -48.6552 -48.6552 -48.6513 -48.6513 -23.0459 -23.0459 -23.0274 -23.0274 -15.4656 -15.4656 -15.4472 -15.4472 -15.3534 -15.3534 -15.2872 -15.2872 2.7154 2.7154 3.6110 3.6110 3.8211 3.8211 6.5639 6.5639 7.8064 7.8064 8.3089 8.3089 9.7139 9.7139 10.3315 10.3315 11.0713 11.0713 11.2160 11.2160 11.6116 11.6116 12.4173 12.4173 13.1294 13.1294 14.0872 14.0872 14.4757 14.4757 15.3926 15.3926 k = 0.0000 1.0429 0.1862 ( 3714 PWs) bands (ev): -48.6551 -48.6551 -48.6512 -48.6512 -23.0461 -23.0461 -23.0277 -23.0277 -15.4652 -15.4652 -15.4472 -15.4472 -15.3549 -15.3549 -15.2889 -15.2889 2.7293 2.7293 3.6305 3.6305 3.8403 3.8403 6.5777 6.5777 7.7761 7.7761 8.3346 8.3346 9.6857 9.6857 10.3179 10.3179 10.9803 10.9803 11.1900 11.1900 11.4963 11.4963 12.3406 12.3406 13.2054 13.2054 14.1202 14.1202 14.5432 14.5432 15.4247 15.4247 k = 0.0000 1.0429 0.2095 ( 3714 PWs) bands (ev): -48.6551 -48.6551 -48.6512 -48.6512 -23.0463 -23.0463 -23.0281 -23.0281 -15.4647 -15.4647 -15.4473 -15.4473 -15.3565 -15.3565 -15.2909 -15.2909 2.7450 2.7450 3.6524 3.6524 3.8620 3.8620 6.5920 6.5920 7.7431 7.7431 8.3632 8.3632 9.6564 9.6564 10.3011 10.3011 10.8834 10.8834 11.1501 11.1501 11.3927 11.3927 12.2596 12.2596 13.2796 13.2796 14.1497 14.1497 14.6144 14.6144 15.4646 15.4646 k = 0.0000 1.0429 0.2328 ( 3710 PWs) bands (ev): -48.6550 -48.6550 -48.6511 -48.6511 -23.0465 -23.0465 -23.0286 -23.0286 -15.4642 -15.4642 -15.4474 -15.4474 -15.3582 -15.3582 -15.2930 -15.2930 2.7626 2.7626 3.6768 3.6768 3.8863 3.8863 6.6063 6.6063 7.7079 7.7079 8.3943 8.3943 9.6266 9.6266 10.2801 10.2801 10.7837 10.7837 11.0830 11.0830 11.3138 11.3138 12.1754 12.1754 13.3520 13.3520 14.1750 14.1750 14.6874 14.6874 15.5118 15.5118 k = 0.0000 1.0429 0.2561 ( 3712 PWs) bands (ev): -48.6549 -48.6549 -48.6511 -48.6511 -23.0468 -23.0468 -23.0291 -23.0291 -15.4637 -15.4637 -15.4476 -15.4476 -15.3601 -15.3601 -15.2953 -15.2953 2.7820 2.7820 3.7036 3.7036 3.9130 3.9130 6.6198 6.6198 7.6715 7.6715 8.4278 8.4278 9.5970 9.5970 10.2533 10.2533 10.6842 10.6842 10.9850 10.9850 11.2637 11.2637 12.0893 12.0893 13.4228 13.4228 14.1958 14.1958 14.7604 14.7604 15.5655 15.5655 k = 0.0000 1.0429 0.2794 ( 3714 PWs) bands (ev): -48.6548 -48.6548 -48.6510 -48.6510 -23.0471 -23.0471 -23.0297 -23.0297 -15.4632 -15.4632 -15.4477 -15.4477 -15.3621 -15.3621 -15.2978 -15.2978 2.8032 2.8032 3.7329 3.7329 3.9422 3.9422 6.6314 6.6314 7.6351 7.6351 8.4632 8.4632 9.5678 9.5678 10.2182 10.2182 10.5883 10.5883 10.8681 10.8681 11.2310 11.2310 12.0018 12.0018 13.4923 13.4923 14.2121 14.2121 14.8318 14.8318 15.6244 15.6244 k = 0.0000 1.0429 0.3026 ( 3706 PWs) bands (ev): -48.6546 -48.6546 -48.6510 -48.6510 -23.0473 -23.0473 -23.0303 -23.0303 -15.4626 -15.4626 -15.4479 -15.4479 -15.3641 -15.3641 -15.3003 -15.3003 2.8262 2.8262 3.7645 3.7645 3.9738 3.9738 6.6400 6.6400 7.6000 7.6000 8.5001 8.5001 9.5392 9.5392 10.1710 10.1710 10.5004 10.5004 10.7433 10.7433 11.2060 11.2060 11.9138 11.9138 13.5606 13.5606 14.2247 14.2247 14.8998 14.8998 15.6866 15.6866 k = 0.0000 1.0429 0.3259 ( 3708 PWs) bands (ev): -48.6545 -48.6545 -48.6509 -48.6509 -23.0476 -23.0476 -23.0309 -23.0309 -15.4621 -15.4621 -15.4482 -15.4482 -15.3662 -15.3662 -15.3031 -15.3031 2.8511 2.8511 3.7983 3.7983 4.0079 4.0079 6.6441 6.6441 7.5679 7.5679 8.5379 8.5379 9.5114 9.5114 10.1088 10.1088 10.4237 10.4237 10.6168 10.6168 11.1840 11.1840 11.8258 11.8258 13.6279 13.6279 14.2344 14.2344 14.9630 14.9630 15.7496 15.7496 k = 0.0000 1.0429 0.3492 ( 3702 PWs) bands (ev): -48.6544 -48.6544 -48.6509 -48.6509 -23.0479 -23.0479 -23.0315 -23.0315 -15.4615 -15.4615 -15.4484 -15.4484 -15.3684 -15.3684 -15.3059 -15.3059 2.8778 2.8778 3.8345 3.8345 4.0443 4.0443 6.6419 6.6419 7.5407 7.5407 8.5759 8.5759 9.4842 9.4842 10.0312 10.0312 10.3561 10.3561 10.4945 10.4945 11.1632 11.1632 11.7383 11.7383 13.6945 13.6945 14.2419 14.2419 15.0204 15.0204 15.8102 15.8102 k = 0.0000 1.0429 0.3725 ( 3700 PWs) bands (ev): -48.6542 -48.6542 -48.6508 -48.6508 -23.0482 -23.0482 -23.0322 -23.0322 -15.4610 -15.4610 -15.4487 -15.4487 -15.3706 -15.3706 -15.3088 -15.3088 2.9063 2.9063 3.8728 3.8728 4.0830 4.0830 6.6321 6.6321 7.5202 7.5202 8.6129 8.6129 9.4572 9.4572 9.9425 9.9425 10.2828 10.2828 10.3901 10.3901 11.1429 11.1429 11.6518 11.6518 13.7605 13.7605 14.2484 14.2484 15.0715 15.0715 15.8643 15.8643 k = 0.0000 1.0429 0.3958 ( 3696 PWs) bands (ev): -48.6541 -48.6541 -48.6507 -48.6507 -23.0485 -23.0485 -23.0329 -23.0329 -15.4606 -15.4606 -15.4490 -15.4490 -15.3728 -15.3728 -15.3117 -15.3117 2.9366 2.9366 3.9132 3.9132 4.1241 4.1241 6.6131 6.6131 7.5080 7.5080 8.6474 8.6474 9.4296 9.4296 9.8484 9.8484 10.1836 10.1836 10.3213 10.3213 11.1226 11.1226 11.5664 11.5664 13.8260 13.8260 14.2548 14.2548 15.1162 15.1162 15.9083 15.9083 k = 0.0000 1.0429 0.4190 ( 3690 PWs) bands (ev): -48.6540 -48.6540 -48.6507 -48.6507 -23.0488 -23.0488 -23.0336 -23.0336 -15.4602 -15.4602 -15.4494 -15.4494 -15.3749 -15.3749 -15.3148 -15.3148 2.9687 2.9687 3.9556 3.9556 4.1674 4.1674 6.5844 6.5844 7.5049 7.5049 8.6775 8.6775 9.4001 9.4001 9.7545 9.7545 10.0697 10.0697 10.2758 10.2758 11.1022 11.1022 11.4826 11.4826 13.8910 13.8910 14.2620 14.2620 15.1548 15.1548 15.9404 15.9404 k = 0.0000 1.0429 0.4423 ( 3700 PWs) bands (ev): -48.6538 -48.6538 -48.6506 -48.6506 -23.0492 -23.0492 -23.0344 -23.0344 -15.4599 -15.4599 -15.4498 -15.4498 -15.3771 -15.3771 -15.3179 -15.3179 3.0025 3.0025 4.0000 4.0000 4.2129 4.2129 6.5460 6.5460 7.5111 7.5111 8.7003 8.7003 9.3667 9.3667 9.6657 9.6657 9.9563 9.9563 10.2386 10.2386 11.0816 11.0816 11.4005 11.4005 13.9554 13.9554 14.2710 14.2710 15.1880 15.1880 15.9609 15.9609 k = 0.0000 1.0429 0.4656 ( 3696 PWs) bands (ev): -48.6536 -48.6536 -48.6505 -48.6505 -23.0495 -23.0495 -23.0351 -23.0351 -15.4597 -15.4597 -15.4502 -15.4502 -15.3792 -15.3792 -15.3210 -15.3210 3.0382 3.0382 4.0463 4.0463 4.2606 4.2606 6.4985 6.4985 7.5261 7.5261 8.7118 8.7118 9.3264 9.3264 9.5866 9.5866 9.8513 9.8513 10.2046 10.2046 11.0609 11.0609 11.3205 11.3205 14.0190 14.0190 14.2826 14.2826 15.2166 15.2166 15.9700 15.9700 k = 0.0000 1.0429 0.4889 ( 3704 PWs) bands (ev): -48.6535 -48.6535 -48.6505 -48.6505 -23.0499 -23.0499 -23.0360 -23.0360 -15.4596 -15.4596 -15.4507 -15.4507 -15.3812 -15.3812 -15.3242 -15.3242 3.0756 3.0756 4.0942 4.0942 4.3104 4.3104 6.4430 6.4430 7.5489 7.5489 8.7076 8.7076 9.2758 9.2758 9.5213 9.5213 9.7607 9.7607 10.1719 10.1719 11.0401 11.0401 11.2426 11.2426 14.0813 14.0813 14.2981 14.2981 15.2413 15.2413 15.9673 15.9673 k = 0.0000 1.0429 0.5122 ( 3704 PWs) bands (ev): -48.6533 -48.6533 -48.6504 -48.6504 -23.0502 -23.0502 -23.0368 -23.0368 -15.4596 -15.4596 -15.4513 -15.4513 -15.3830 -15.3830 -15.3273 -15.3273 3.1148 3.1148 4.1438 4.1438 4.3622 4.3622 6.3810 6.3810 7.5781 7.5781 8.6837 8.6837 9.2120 9.2120 9.4724 9.4724 9.6900 9.6900 10.1397 10.1397 11.0191 11.0191 11.1672 11.1672 14.1412 14.1412 14.3187 14.3187 15.2631 15.2631 15.9523 15.9523 k = 0.0000 1.0429 0.5354 ( 3708 PWs) bands (ev): -48.6532 -48.6532 -48.6504 -48.6504 -23.0506 -23.0506 -23.0377 -23.0377 -15.4598 -15.4598 -15.4519 -15.4519 -15.3847 -15.3847 -15.3304 -15.3304 3.1557 3.1557 4.1947 4.1947 4.4161 4.4161 6.3138 6.3138 7.6124 7.6124 8.6385 8.6385 9.1341 9.1341 9.4408 9.4408 9.6414 9.6414 10.1079 10.1079 10.9979 10.9979 11.0945 11.0945 14.1976 14.1976 14.3460 14.3460 15.2828 15.2828 15.9255 15.9255 k = 0.0000 1.0429 0.5587 ( 3708 PWs) bands (ev): -48.6530 -48.6530 -48.6503 -48.6503 -23.0509 -23.0509 -23.0385 -23.0385 -15.4600 -15.4600 -15.4525 -15.4525 -15.3862 -15.3862 -15.3334 -15.3334 3.1983 3.1983 4.2469 4.2469 4.4718 4.4718 6.2426 6.2426 7.6500 7.6500 8.5740 8.5740 9.0441 9.0441 9.4247 9.4247 9.6130 9.6130 10.0765 10.0765 10.9758 10.9758 11.0256 11.0256 14.2488 14.2488 14.3815 14.3815 15.3011 15.3011 15.8880 15.8880 k = 0.0000 1.0429 0.5820 ( 3708 PWs) bands (ev): -48.6528 -48.6528 -48.6503 -48.6503 -23.0512 -23.0512 -23.0393 -23.0393 -15.4604 -15.4604 -15.4532 -15.4532 -15.3875 -15.3875 -15.3364 -15.3364 3.2427 3.2427 4.3000 4.3000 4.5293 4.5293 6.1685 6.1685 7.6896 7.6896 8.4942 8.4942 8.9466 8.9466 9.4198 9.4198 9.6010 9.6010 10.0459 10.0459 10.9440 10.9440 10.9693 10.9693 14.2949 14.2949 14.4254 14.4254 15.3189 15.3189 15.8419 15.8419 k = 0.0000 1.0429 0.6053 ( 3710 PWs) bands (ev): -48.6527 -48.6527 -48.6502 -48.6502 -23.0515 -23.0515 -23.0401 -23.0401 -15.4609 -15.4609 -15.4540 -15.4540 -15.3886 -15.3886 -15.3394 -15.3394 3.2887 3.2887 4.3538 4.3538 4.5885 4.5885 6.0927 6.0927 7.7290 7.7290 8.4038 8.4038 8.8465 8.8465 9.4211 9.4211 9.6012 9.6012 10.0166 10.0166 10.8866 10.8866 10.9418 10.9418 14.3376 14.3376 14.4756 14.4756 15.3372 15.3372 15.7892 15.7892 k = 0.0000 1.0429 0.6286 ( 3708 PWs) bands (ev): -48.6525 -48.6525 -48.6502 -48.6502 -23.0517 -23.0517 -23.0410 -23.0410 -15.4615 -15.4615 -15.4549 -15.4549 -15.3894 -15.3894 -15.3422 -15.3422 3.3364 3.3364 4.4079 4.4079 4.6492 4.6492 6.0161 6.0161 7.7660 7.7660 8.3065 8.3065 8.7486 8.7486 9.4251 9.4251 9.6093 9.6093 9.9897 9.9897 10.8264 10.8264 10.9209 10.9209 14.3796 14.3796 14.5288 14.5288 15.3567 15.3567 15.7319 15.7319 k = 0.0000 1.0429 0.6518 ( 3708 PWs) bands (ev): -48.6524 -48.6524 -48.6501 -48.6501 -23.0519 -23.0519 -23.0418 -23.0418 -15.4621 -15.4621 -15.4558 -15.4558 -15.3900 -15.3900 -15.3450 -15.3450 3.3858 3.3858 4.4618 4.4618 4.7114 4.7114 5.9395 5.9395 7.7972 7.7972 8.2051 8.2051 8.6576 8.6576 9.4301 9.4301 9.6204 9.6204 9.9668 9.9668 10.7689 10.7689 10.9012 10.9012 14.4232 14.4232 14.5823 14.5823 15.3784 15.3784 15.6720 15.6720 k = 0.0000 1.0429 0.6751 ( 3704 PWs) bands (ev): -48.6522 -48.6522 -48.6501 -48.6501 -23.0521 -23.0521 -23.0425 -23.0425 -15.4628 -15.4628 -15.4568 -15.4568 -15.3904 -15.3904 -15.3477 -15.3477 3.4368 3.4368 4.5148 4.5148 4.7748 4.7748 5.8640 5.8640 7.8179 7.8179 8.1018 8.1018 8.5790 8.5790 9.4355 9.4355 9.6296 9.6296 9.9495 9.9495 10.7152 10.7152 10.8822 10.8822 14.4695 14.4695 14.6341 14.6341 15.4028 15.4028 15.6117 15.6117 k = 0.0000 1.0429 0.6984 ( 3698 PWs) bands (ev): -48.6520 -48.6520 -48.6501 -48.6501 -23.0523 -23.0523 -23.0432 -23.0432 -15.4636 -15.4636 -15.4578 -15.4578 -15.3906 -15.3906 -15.3503 -15.3503 3.4894 3.4894 4.5661 4.5661 4.8392 4.8392 5.7907 5.7907 7.8222 7.8222 7.9983 7.9983 8.5189 8.5189 9.4413 9.4413 9.6328 9.6328 9.9394 9.9394 10.6660 10.6660 10.8637 10.8637 14.5191 14.5191 14.6827 14.6827 15.4288 15.4288 15.5547 15.5547 k = 0.0000 1.0429 0.7217 ( 3696 PWs) bands (ev): -48.6519 -48.6519 -48.6500 -48.6500 -23.0525 -23.0525 -23.0440 -23.0440 -15.4644 -15.4644 -15.4589 -15.4589 -15.3906 -15.3906 -15.3528 -15.3528 3.5436 3.5436 4.6144 4.6144 4.9044 4.9044 5.7209 5.7209 7.8042 7.8042 7.8963 7.8963 8.4830 8.4830 9.4471 9.4471 9.6278 9.6278 9.9367 9.9367 10.6222 10.6222 10.8457 10.8457 14.5724 14.5724 14.7271 14.7271 15.4422 15.4422 15.5171 15.5171 k = 0.0000 1.0429 0.7450 ( 3696 PWs) bands (ev): -48.6517 -48.6517 -48.6500 -48.6500 -23.0526 -23.0526 -23.0447 -23.0447 -15.4652 -15.4652 -15.4601 -15.4601 -15.3904 -15.3904 -15.3552 -15.3552 3.5993 3.5993 4.6581 4.6581 4.9701 4.9701 5.6561 5.6561 7.7590 7.7590 7.8003 7.8003 8.4731 8.4731 9.4523 9.4523 9.6151 9.6151 9.9394 9.9394 10.5845 10.5845 10.8282 10.8282 14.6287 14.6287 14.7672 14.7672 15.4092 15.4092 15.5345 15.5345 k = 0.0000 1.0429 0.7682 ( 3702 PWs) bands (ev): -48.6516 -48.6516 -48.6500 -48.6500 -23.0528 -23.0528 -23.0455 -23.0455 -15.4660 -15.4660 -15.4613 -15.4613 -15.3900 -15.3900 -15.3575 -15.3575 3.6565 3.6565 4.6952 4.6952 5.0359 5.0359 5.5984 5.5984 7.6807 7.6807 7.7204 7.7204 8.4858 8.4858 9.4553 9.4553 9.5980 9.5980 9.9438 9.9438 10.5540 10.5540 10.8111 10.8111 14.6868 14.6868 14.8040 14.8040 15.3588 15.3588 15.5792 15.5792 k = 0.0000 1.0429 0.7915 ( 3702 PWs) bands (ev): -48.6514 -48.6514 -48.6500 -48.6500 -23.0529 -23.0529 -23.0462 -23.0462 -15.4668 -15.4668 -15.4624 -15.4624 -15.3895 -15.3895 -15.3598 -15.3598 3.7151 3.7151 4.7230 4.7230 5.1013 5.1013 5.5503 5.5503 7.5883 7.5883 7.6448 7.6448 8.5153 8.5153 9.4530 9.4530 9.5816 9.5816 9.9465 9.9465 10.5316 10.5316 10.7944 10.7944 14.7429 14.7429 14.8410 14.8410 15.3090 15.3090 15.6342 15.6342 k = 0.0000 1.0429 0.8148 ( 3702 PWs) bands (ev): -48.6513 -48.6513 -48.6500 -48.6500 -23.0529 -23.0529 -23.0469 -23.0469 -15.4675 -15.4675 -15.4635 -15.4635 -15.3888 -15.3888 -15.3620 -15.3620 3.7751 3.7751 4.7386 4.7386 5.1658 5.1658 5.5141 5.5141 7.4969 7.4969 7.5650 7.5650 8.5561 8.5561 9.4410 9.4410 9.5719 9.5719 9.9446 9.9446 10.5179 10.5179 10.7780 10.7780 14.7895 14.7895 14.8851 14.8851 15.2637 15.2637 15.6961 15.6961 k = 0.0000 1.0429 0.8381 ( 3700 PWs) bands (ev): -48.6512 -48.6512 -48.6500 -48.6500 -23.0529 -23.0529 -23.0475 -23.0475 -15.4682 -15.4682 -15.4646 -15.4646 -15.3880 -15.3880 -15.3641 -15.3641 3.8365 3.8365 4.7398 4.7398 5.2287 5.2287 5.4919 5.4919 7.4096 7.4096 7.4833 7.4833 8.6041 8.6041 9.4174 9.4174 9.5721 9.5721 9.9367 9.9367 10.5126 10.5126 10.7618 10.7618 14.8214 14.8214 14.9394 14.9394 15.2270 15.2270 15.7634 15.7634 k = 0.0000 1.0429 0.8614 ( 3706 PWs) bands (ev): -48.6510 -48.6510 -48.6500 -48.6500 -23.0529 -23.0529 -23.0482 -23.0482 -15.4688 -15.4688 -15.4657 -15.4657 -15.3871 -15.3871 -15.3661 -15.3661 3.8991 3.8991 4.7255 4.7255 5.2892 5.2892 5.4837 5.4837 7.3281 7.3281 7.4024 7.4024 8.6566 8.6566 9.3845 9.3845 9.5807 9.5807 9.9227 9.9227 10.5149 10.5149 10.7457 10.7457 14.8424 14.8424 14.9930 14.9930 15.2074 15.2074 15.8346 15.8346 k = 0.0000 1.0429 0.8846 ( 3704 PWs) bands (ev): -48.6509 -48.6509 -48.6500 -48.6500 -23.0528 -23.0528 -23.0488 -23.0488 -15.4694 -15.4694 -15.4666 -15.4666 -15.3860 -15.3860 -15.3680 -15.3680 3.9628 3.9628 4.6968 4.6968 5.3464 5.3464 5.4879 5.4879 7.2536 7.2536 7.3249 7.3249 8.7119 8.7119 9.3454 9.3454 9.5949 9.5949 9.9033 9.9033 10.5233 10.5233 10.7296 10.7296 14.8574 14.8574 15.0238 15.0238 15.2228 15.2228 15.9078 15.9078 k = 0.0000 1.0429 0.9079 ( 3708 PWs) bands (ev): -48.6508 -48.6508 -48.6501 -48.6501 -23.0527 -23.0527 -23.0493 -23.0493 -15.4698 -15.4698 -15.4675 -15.4675 -15.3849 -15.3849 -15.3699 -15.3699 4.0275 4.0275 4.6560 4.6560 5.3991 5.3991 5.5007 5.5007 7.1878 7.1878 7.2528 7.2528 8.7686 8.7686 9.3023 9.3023 9.6130 9.6130 9.8797 9.8797 10.5363 10.5363 10.7133 10.7133 14.8694 14.8694 15.0227 15.0227 15.2800 15.2800 15.9793 15.9793 k = 0.0000 1.0429 0.9312 ( 3702 PWs) bands (ev): -48.6507 -48.6507 -48.6501 -48.6501 -23.0526 -23.0526 -23.0498 -23.0498 -15.4701 -15.4701 -15.4683 -15.4683 -15.3837 -15.3837 -15.3716 -15.3716 4.0931 4.0931 4.6060 4.6060 5.4461 5.4461 5.5179 5.5179 7.1321 7.1321 7.1882 7.1882 8.8260 8.8260 9.2562 9.2562 9.6339 9.6339 9.8531 9.8531 10.5523 10.5523 10.6968 10.6968 14.8802 14.8802 15.0057 15.0057 15.3616 15.3616 16.0337 16.0337 k = 0.0000 1.0429 0.9545 ( 3704 PWs) bands (ev): -48.6506 -48.6506 -48.6502 -48.6502 -23.0524 -23.0524 -23.0503 -23.0503 -15.4703 -15.4703 -15.4690 -15.4690 -15.3825 -15.3825 -15.3734 -15.3734 4.1594 4.1594 4.5496 4.5496 5.4860 5.4860 5.5351 5.5351 7.0884 7.0884 7.1330 7.1330 8.8834 8.8834 9.2077 9.2077 9.6571 9.6571 9.8247 9.8247 10.5700 10.5700 10.6799 10.6799 14.8908 14.8908 14.9848 14.9848 15.4545 15.4545 16.0148 16.0148 k = 0.0000 1.0429 0.9778 ( 3700 PWs) bands (ev): -48.6505 -48.6505 -48.6502 -48.6502 -23.0521 -23.0521 -23.0507 -23.0507 -15.4704 -15.4704 -15.4695 -15.4695 -15.3811 -15.3811 -15.3750 -15.3750 4.2261 4.2261 4.4886 4.4886 5.5177 5.5177 5.5484 5.5484 7.0582 7.0582 7.0893 7.0893 8.9403 8.9403 9.1573 9.1573 9.6822 9.6822 9.7954 9.7954 10.5887 10.5887 10.6626 10.6626 14.9020 14.9020 14.9643 14.9643 15.5529 15.5529 15.9416 15.9416 k = 0.0000 1.0429 1.0010 ( 3696 PWs) bands (ev): -48.6504 -48.6504 -48.6503 -48.6503 -23.0518 -23.0518 -23.0511 -23.0511 -15.4703 -15.4703 -15.4699 -15.4699 -15.3796 -15.3796 -15.3766 -15.3766 4.2929 4.2929 4.4249 4.4249 5.5401 5.5401 5.5549 5.5549 7.0429 7.0429 7.0588 7.0588 8.9964 8.9964 9.1051 9.1051 9.7090 9.7090 9.7660 9.7660 10.6076 10.6076 10.6447 10.6447 14.9147 14.9147 14.9456 14.9456 15.6538 15.6538 15.8518 15.8518 k = 0.0000 1.0429 1.0243 ( 3704 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4702 -15.4702 -15.4702 -15.4702 -15.3782 -15.3782 -15.3782 -15.3782 4.3593 4.3593 4.3593 4.3593 5.5525 5.5525 5.5525 5.5525 7.0431 7.0431 7.0431 7.0431 9.0514 9.0514 9.0514 9.0514 9.7370 9.7370 9.7370 9.7370 10.6264 10.6264 10.6264 10.6264 14.9291 14.9291 14.9291 14.9291 15.7544 15.7544 15.7544 15.7544 k = 0.0000 1.0429 1.0243 ( 3704 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4702 -15.4702 -15.4702 -15.4702 -15.3782 -15.3782 -15.3782 -15.3782 4.3593 4.3593 4.3593 4.3593 5.5525 5.5525 5.5525 5.5525 7.0431 7.0431 7.0431 7.0431 9.0514 9.0514 9.0514 9.0514 9.7370 9.7370 9.7370 9.7370 10.6264 10.6264 10.6264 10.6264 14.9291 14.9291 14.9291 14.9291 15.7544 15.7544 15.7544 15.7544 k = 0.0222 1.0429 1.0243 ( 3702 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4703 -15.4703 -15.4701 -15.4701 -15.3782 -15.3782 -15.3781 -15.3781 4.3581 4.3581 4.3606 4.3606 5.5514 5.5514 5.5532 5.5532 7.0399 7.0399 7.0456 7.0456 9.0499 9.0499 9.0551 9.0551 9.7268 9.7268 9.7471 9.7471 10.6236 10.6236 10.6296 10.6296 14.9171 14.9171 14.9252 14.9252 15.7575 15.7575 15.7692 15.7692 k = 0.0444 1.0429 1.0243 ( 3702 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4703 -15.4703 -15.4701 -15.4701 -15.3783 -15.3783 -15.3780 -15.3780 4.3569 4.3569 4.3619 4.3619 5.5499 5.5499 5.5534 5.5534 7.0362 7.0362 7.0473 7.0473 9.0505 9.0505 9.0608 9.0608 9.7165 9.7165 9.7568 9.7568 10.6214 10.6214 10.6334 10.6334 14.8909 14.8909 14.9064 14.9064 15.7771 15.7771 15.8000 15.8000 k = 0.0666 1.0429 1.0243 ( 3704 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4703 -15.4703 -15.4700 -15.4700 -15.3784 -15.3784 -15.3780 -15.3780 4.3558 4.3558 4.3631 4.3631 5.5479 5.5479 5.5532 5.5532 7.0322 7.0322 7.0484 7.0484 9.0531 9.0531 9.0686 9.0686 9.7064 9.7064 9.7661 9.7661 10.6197 10.6197 10.6375 10.6375 14.8542 14.8542 14.8757 14.8757 15.8093 15.8093 15.8429 15.8429 k = 0.0888 1.0429 1.0243 ( 3698 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0514 -23.0514 -15.4703 -15.4703 -15.4699 -15.4699 -15.3784 -15.3784 -15.3779 -15.3779 4.3547 4.3547 4.3643 4.3643 5.5454 5.5454 5.5526 5.5526 7.0279 7.0279 7.0488 7.0488 9.0575 9.0575 9.0782 9.0782 9.6964 9.6964 9.7748 9.7748 10.6185 10.6185 10.6418 10.6418 14.8109 14.8109 14.8372 14.8372 15.8491 15.8491 15.8930 15.8930 k = 0.1110 1.0429 1.0243 ( 3696 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0514 -23.0514 -23.0514 -23.0514 -15.4703 -15.4703 -15.4698 -15.4698 -15.3785 -15.3785 -15.3778 -15.3778 4.3537 4.3537 4.3655 4.3655 5.5424 5.5424 5.5515 5.5515 7.0237 7.0237 7.0486 7.0486 9.0635 9.0635 9.0895 9.0895 9.6870 9.6870 9.7830 9.7830 10.6177 10.6177 10.6461 10.6461 14.7645 14.7645 14.7946 14.7946 15.8917 15.8917 15.9455 15.9455 k = 0.1332 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0514 -23.0514 -15.4703 -15.4703 -15.4697 -15.4697 -15.3785 -15.3785 -15.3777 -15.3777 4.3527 4.3527 4.3665 4.3665 5.5389 5.5389 5.5499 5.5499 7.0199 7.0199 7.0482 7.0482 9.0708 9.0708 9.1019 9.1019 9.6782 9.6782 9.7905 9.7905 10.6170 10.6170 10.6502 10.6502 14.7179 14.7179 14.7509 14.7509 15.9333 15.9333 15.9961 15.9961 k = 0.1553 1.0429 1.0243 ( 3698 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0514 -23.0514 -23.0514 -23.0514 -15.4704 -15.4704 -15.4696 -15.4696 -15.3786 -15.3786 -15.3776 -15.3776 4.3518 4.3518 4.3675 4.3675 5.5348 5.5348 5.5477 5.5477 7.0168 7.0168 7.0476 7.0476 9.0792 9.0792 9.1151 9.1151 9.6703 9.6703 9.7973 9.7973 10.6164 10.6164 10.6540 10.6540 14.6733 14.6733 14.7085 14.7085 15.9714 15.9714 16.0419 16.0419 k = 0.1775 1.0429 1.0243 ( 3704 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0515 -23.0515 -23.0514 -23.0514 -15.4704 -15.4704 -15.4696 -15.4696 -15.3786 -15.3786 -15.3776 -15.3776 4.3510 4.3510 4.3683 4.3683 5.5300 5.5300 5.5449 5.5449 7.0147 7.0147 7.0471 7.0471 9.0883 9.0883 9.1287 9.1287 9.6637 9.6637 9.8033 9.8033 10.6156 10.6156 10.6571 10.6571 14.6324 14.6324 14.6692 14.6692 16.0046 16.0046 16.0815 16.0815 k = 0.1997 1.0429 1.0243 ( 3702 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0514 -23.0514 -15.4703 -15.4703 -15.4695 -15.4695 -15.3786 -15.3786 -15.3775 -15.3775 4.3502 4.3502 4.3689 4.3689 5.5246 5.5246 5.5415 5.5415 7.0139 7.0139 7.0470 7.0470 9.0978 9.0978 9.1419 9.1419 9.6585 9.6585 9.8083 9.8083 10.6146 10.6146 10.6596 10.6596 14.5964 14.5964 14.6343 14.6343 16.0324 16.0324 16.1146 16.1146 k = 0.2219 1.0429 1.0243 ( 3702 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4702 -15.4702 -15.4694 -15.4694 -15.3786 -15.3786 -15.3775 -15.3775 4.3494 4.3494 4.3694 4.3694 5.5185 5.5185 5.5374 5.5374 7.0146 7.0146 7.0476 7.0476 9.1075 9.1075 9.1542 9.1542 9.6553 9.6553 9.8125 9.8125 10.6131 10.6131 10.6610 10.6610 14.5664 14.5664 14.6048 14.6048 16.0547 16.0547 16.1421 16.1421 k = 0.2441 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4701 -15.4701 -15.4693 -15.4693 -15.3786 -15.3786 -15.3775 -15.3775 4.3487 4.3487 4.3696 4.3696 5.5117 5.5117 5.5327 5.5327 7.0172 7.0172 7.0490 7.0490 9.1170 9.1170 9.1649 9.1649 9.6541 9.6541 9.8155 9.8155 10.6111 10.6111 10.6615 10.6615 14.5430 14.5430 14.5815 14.5815 16.0714 16.0714 16.1646 16.1646 k = 0.2663 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4700 -15.4700 -15.4692 -15.4692 -15.3786 -15.3786 -15.3774 -15.3774 4.3479 4.3479 4.3695 4.3695 5.5043 5.5043 5.5273 5.5273 7.0218 7.0218 7.0516 7.0516 9.1260 9.1260 9.1733 9.1733 9.6554 9.6554 9.8174 9.8174 10.6086 10.6086 10.6608 10.6608 14.5270 14.5270 14.5649 14.5649 16.0821 16.0821 16.1824 16.1824 k = 0.2663 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4700 -15.4700 -15.4692 -15.4692 -15.3786 -15.3786 -15.3774 -15.3774 4.3479 4.3479 4.3695 4.3695 5.5043 5.5043 5.5273 5.5273 7.0218 7.0218 7.0516 7.0516 9.1260 9.1260 9.1733 9.1733 9.6554 9.6554 9.8174 9.8174 10.6086 10.6086 10.6608 10.6608 14.5270 14.5270 14.5649 14.5649 16.0821 16.0821 16.1824 16.1824 k = 0.2605 1.0202 1.0243 ( 3696 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0514 -23.0514 -23.0514 -23.0514 -15.4704 -15.4704 -15.4695 -15.4695 -15.3786 -15.3786 -15.3775 -15.3775 4.3506 4.3506 4.3698 4.3698 5.5322 5.5322 5.5462 5.5462 7.0046 7.0046 7.0456 7.0456 9.0894 9.0894 9.1424 9.1424 9.6452 9.6452 9.8124 9.8124 10.6198 10.6198 10.6655 10.6655 14.5808 14.5808 14.6224 14.6224 16.0430 16.0430 16.1106 16.1106 k = 0.2547 0.9975 1.0243 ( 3708 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4707 -15.4707 -15.4697 -15.4697 -15.3787 -15.3787 -15.3776 -15.3776 4.3520 4.3520 4.3687 4.3687 5.5490 5.5490 5.5535 5.5535 7.0025 7.0025 7.0555 7.0555 9.0534 9.0534 9.1109 9.1109 9.6364 9.6364 9.8080 9.8080 10.6301 10.6301 10.6696 10.6696 14.6354 14.6354 14.6811 14.6811 15.9916 15.9916 16.0311 16.0311 k = 0.2489 0.9749 1.0243 ( 3708 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4708 -15.4708 -15.4696 -15.4696 -15.3788 -15.3788 -15.3776 -15.3776 4.3518 4.3518 4.3661 4.3661 5.5497 5.5497 5.5543 5.5543 7.0160 7.0160 7.0811 7.0811 9.0180 9.0180 9.0788 9.0788 9.6290 9.6290 9.8043 9.8043 10.6401 10.6401 10.6735 10.6735 14.6870 14.6870 14.7374 14.7374 15.9338 15.9338 15.9519 15.9519 k = 0.2431 0.9522 1.0243 ( 3704 PWs) bands (ev): -48.6503 -48.6503 -48.6503 -48.6503 -23.0515 -23.0515 -23.0515 -23.0515 -15.4707 -15.4707 -15.4694 -15.4694 -15.3788 -15.3788 -15.3776 -15.3776 4.3500 4.3500 4.3618 4.3618 5.5358 5.5358 5.5489 5.5489 7.0445 7.0445 7.1212 7.1212 8.9833 8.9833 9.0462 9.0462 9.6231 9.6231 9.8013 9.8013 10.6502 10.6502 10.6779 10.6779 14.7309 14.7309 14.7862 14.7862 15.8776 15.8776 15.8810 15.8810 k = 0.2374 0.9295 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0514 -23.0514 -15.4704 -15.4704 -15.4690 -15.4690 -15.3788 -15.3788 -15.3776 -15.3776 4.3464 4.3464 4.3558 4.3558 5.5134 5.5134 5.5337 5.5337 7.0867 7.0867 7.1743 7.1743 8.9494 8.9494 9.0131 9.0131 9.6186 9.6186 9.7988 9.7988 10.6610 10.6610 10.6834 10.6834 14.7606 14.7606 14.8211 14.8211 15.8268 15.8268 15.8327 15.8327 k = 0.2316 0.9069 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0513 -23.0513 -23.0512 -23.0512 -15.4700 -15.4700 -15.4684 -15.4684 -15.3789 -15.3789 -15.3776 -15.3776 4.3406 4.3406 4.3479 4.3479 5.4844 5.4844 5.5105 5.5105 7.1408 7.1408 7.2384 7.2384 8.9166 8.9166 8.9798 8.9798 9.6156 9.6156 9.7970 9.7970 10.6730 10.6730 10.6903 10.6903 14.7698 14.7698 14.8350 14.8350 15.7968 15.7968 15.8082 15.8082 k = 0.2258 0.8842 1.0243 ( 3688 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0511 -23.0511 -23.0510 -23.0510 -15.4693 -15.4693 -15.4676 -15.4676 -15.3789 -15.3789 -15.3776 -15.3776 4.3327 4.3327 4.3379 4.3379 5.4506 5.4506 5.4811 5.4811 7.2050 7.2050 7.3117 7.3117 8.8851 8.8851 8.9463 8.9463 9.6142 9.6142 9.7959 9.7959 10.6867 10.6867 10.6992 10.6992 14.7542 14.7542 14.8231 14.8231 15.7957 15.7957 15.8103 15.8103 k = 0.2200 0.8615 1.0243 ( 3694 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0510 -23.0510 -23.0509 -23.0509 -15.4685 -15.4685 -15.4667 -15.4667 -15.3790 -15.3790 -15.3777 -15.3777 4.3222 4.3222 4.3257 4.3257 5.4137 5.4137 5.4473 5.4473 7.2772 7.2772 7.3923 7.3923 8.8552 8.8552 8.9131 8.9131 9.6146 9.6146 9.7955 9.7955 10.7024 10.7024 10.7104 10.7104 14.7140 14.7140 14.7851 14.7851 15.8233 15.8233 15.8401 15.8401 k = 0.2142 0.8388 1.0243 ( 3698 PWs) bands (ev): -48.6505 -48.6505 -48.6505 -48.6505 -23.0508 -23.0508 -23.0507 -23.0507 -15.4676 -15.4676 -15.4657 -15.4657 -15.3790 -15.3790 -15.3777 -15.3777 4.3092 4.3092 4.3112 4.3112 5.3752 5.3752 5.4105 5.4105 7.3554 7.3554 7.4784 7.4784 8.8274 8.8274 8.8806 8.8806 9.6167 9.6167 9.7960 9.7960 10.7204 10.7204 10.7242 10.7242 14.6535 14.6535 14.7254 14.7254 15.8751 15.8751 15.8930 15.8930 k = 0.2084 0.8162 1.0243 ( 3698 PWs) bands (ev): -48.6505 -48.6505 -48.6505 -48.6505 -23.0506 -23.0506 -23.0504 -23.0504 -15.4666 -15.4666 -15.4645 -15.4645 -15.3790 -15.3790 -15.3777 -15.3777 4.2934 4.2934 4.2942 4.2942 5.3362 5.3362 5.3722 5.3722 7.4376 7.4376 7.5682 7.5682 8.8022 8.8022 8.8496 8.8496 9.6206 9.6206 9.7974 9.7974 10.7410 10.7410 10.7411 10.7411 14.5783 14.5783 14.6502 14.6502 15.9447 15.9447 15.9627 15.9627 k = 0.2026 0.7935 1.0243 ( 3702 PWs) bands (ev): -48.6506 -48.6506 -48.6506 -48.6506 -23.0504 -23.0504 -23.0501 -23.0501 -15.4654 -15.4654 -15.4632 -15.4632 -15.3790 -15.3790 -15.3776 -15.3776 4.2747 4.2747 4.2747 4.2747 5.2976 5.2976 5.3333 5.3333 7.5221 7.5221 7.6598 7.6598 8.7807 8.7807 8.8210 8.8210 9.6266 9.6266 9.8001 9.8001 10.7608 10.7608 10.7647 10.7647 14.4937 14.4937 14.5649 14.5649 16.0257 16.0257 16.0426 16.0426 k = 0.1968 0.7708 1.0243 ( 3702 PWs) bands (ev): -48.6506 -48.6506 -48.6506 -48.6506 -23.0501 -23.0501 -23.0498 -23.0498 -15.4640 -15.4640 -15.4618 -15.4618 -15.3789 -15.3789 -15.3775 -15.3775 4.2527 4.2527 4.2530 4.2530 5.2603 5.2603 5.2948 5.2948 7.6067 7.6067 7.7513 7.7513 8.7639 8.7639 8.7963 8.7963 9.6347 9.6347 9.8040 9.8040 10.7837 10.7837 10.7912 10.7912 14.4037 14.4037 14.4739 14.4739 16.1128 16.1128 16.1271 16.1271 k = 0.1910 0.7482 1.0243 ( 3694 PWs) bands (ev): -48.6507 -48.6507 -48.6507 -48.6507 -23.0497 -23.0497 -23.0494 -23.0494 -15.4626 -15.4626 -15.4602 -15.4602 -15.3787 -15.3787 -15.3774 -15.3774 4.2281 4.2281 4.2285 4.2285 5.2247 5.2247 5.2573 5.2573 7.6891 7.6891 7.8398 7.8398 8.7534 8.7534 8.7776 8.7776 9.6450 9.6450 9.8095 9.8095 10.8099 10.8099 10.8208 10.8208 14.3111 14.3111 14.3799 14.3799 16.2011 16.2011 16.2113 16.2113 k = 0.1853 0.7255 1.0243 ( 3690 PWs) bands (ev): -48.6507 -48.6507 -48.6507 -48.6507 -23.0493 -23.0493 -23.0490 -23.0490 -15.4611 -15.4611 -15.4586 -15.4586 -15.3785 -15.3785 -15.3772 -15.3772 4.2010 4.2010 4.2011 4.2011 5.1912 5.1912 5.2211 5.2211 7.7667 7.7667 7.9222 7.9222 8.7514 8.7514 8.7679 8.7679 9.6576 9.6576 9.8167 9.8167 10.8394 10.8394 10.8535 10.8535 14.2178 14.2178 14.2852 14.2852 16.2861 16.2861 16.2906 16.2906 k = 0.1795 0.7028 1.0243 ( 3694 PWs) bands (ev): -48.6508 -48.6508 -48.6508 -48.6508 -23.0490 -23.0490 -23.0486 -23.0486 -15.4595 -15.4595 -15.4570 -15.4570 -15.3783 -15.3783 -15.3770 -15.3770 4.1711 4.1711 4.1716 4.1716 5.1600 5.1600 5.1867 5.1867 7.8365 7.8365 7.9941 7.9941 8.7601 8.7601 8.7708 8.7708 9.6727 9.6727 9.8258 9.8258 10.8722 10.8722 10.8893 10.8893 14.1253 14.1253 14.1911 14.1911 16.3607 16.3607 16.3628 16.3628 k = 0.1737 0.6801 1.0243 ( 3698 PWs) bands (ev): -48.6509 -48.6509 -48.6509 -48.6509 -23.0486 -23.0486 -23.0482 -23.0482 -15.4579 -15.4579 -15.4553 -15.4553 -15.3780 -15.3780 -15.3766 -15.3766 4.1386 4.1386 4.1400 4.1400 5.1310 5.1310 5.1542 5.1542 7.8955 7.8955 8.0512 8.0512 8.7823 8.7823 8.7907 8.7907 9.6903 9.6903 9.8370 9.8370 10.9081 10.9081 10.9282 10.9282 14.0345 14.0345 14.0987 14.0987 16.4175 16.4175 16.4268 16.4268 k = 0.1679 0.6575 1.0243 ( 3710 PWs) bands (ev): -48.6510 -48.6510 -48.6510 -48.6510 -23.0482 -23.0482 -23.0479 -23.0479 -15.4563 -15.4563 -15.4537 -15.4537 -15.3777 -15.3777 -15.3763 -15.3763 4.1040 4.1040 4.1064 4.1064 5.1044 5.1044 5.1236 5.1236 7.9415 7.9415 8.0901 8.0901 8.8197 8.8197 8.8305 8.8305 9.7108 9.7108 9.8506 9.8506 10.9473 10.9473 10.9702 10.9702 13.9462 13.9462 14.0087 14.0087 16.4584 16.4584 16.4745 16.4745 k = 0.1621 0.6348 1.0243 ( 3702 PWs) bands (ev): -48.6511 -48.6511 -48.6511 -48.6511 -23.0477 -23.0477 -23.0474 -23.0474 -15.4546 -15.4546 -15.4519 -15.4519 -15.3772 -15.3772 -15.3758 -15.3758 4.0675 4.0675 4.0712 4.0712 5.0798 5.0798 5.0950 5.0950 7.9734 7.9734 8.1104 8.1104 8.8730 8.8730 8.8903 8.8903 9.7341 9.7341 9.8668 9.8668 10.9894 10.9894 11.0151 11.0151 13.8610 13.8610 13.9219 13.9219 16.4830 16.4830 16.5048 16.5048 k = 0.1563 0.6121 1.0243 ( 3702 PWs) bands (ev): -48.6511 -48.6511 -48.6511 -48.6511 -23.0472 -23.0472 -23.0469 -23.0469 -15.4530 -15.4530 -15.4503 -15.4503 -15.3765 -15.3765 -15.3752 -15.3752 4.0296 4.0296 4.0345 4.0345 5.0572 5.0572 5.0682 5.0682 7.9918 7.9918 8.1144 8.1144 8.9412 8.9412 8.9675 8.9675 9.7607 9.7607 9.8858 9.8858 11.0345 11.0345 11.0629 11.0629 13.7792 13.7792 13.8386 13.8386 16.4926 16.4926 16.5193 16.5193 k = 0.1505 0.5895 1.0243 ( 3696 PWs) bands (ev): -48.6512 -48.6512 -48.6512 -48.6512 -23.0467 -23.0467 -23.0463 -23.0463 -15.4513 -15.4513 -15.4486 -15.4486 -15.3758 -15.3758 -15.3745 -15.3745 3.9906 3.9906 3.9968 3.9968 5.0363 5.0363 5.0433 5.0433 7.9986 7.9986 8.1060 8.1060 9.0219 9.0219 9.0577 9.0577 9.7908 9.7908 9.9078 9.9078 11.0825 11.0825 11.1136 11.1136 13.7013 13.7013 13.7593 13.7593 16.4894 16.4894 16.5208 16.5208 k = 0.1447 0.5668 1.0243 ( 3700 PWs) bands (ev): -48.6513 -48.6513 -48.6513 -48.6513 -23.0463 -23.0463 -23.0459 -23.0459 -15.4498 -15.4498 -15.4471 -15.4471 -15.3750 -15.3750 -15.3737 -15.3737 3.9508 3.9508 3.9582 3.9582 5.0170 5.0170 5.0199 5.0199 7.9961 7.9961 8.0889 8.0889 9.1123 9.1123 9.1565 9.1565 9.8248 9.8248 9.9332 9.9332 11.1331 11.1331 11.1669 11.1669 13.6277 13.6277 13.6843 13.6843 16.4752 16.4752 16.5115 16.5115 k = 0.1389 0.5441 1.0243 ( 3696 PWs) bands (ev): -48.6514 -48.6514 -48.6514 -48.6514 -23.0457 -23.0457 -23.0453 -23.0453 -15.4482 -15.4482 -15.4456 -15.4456 -15.3740 -15.3740 -15.3728 -15.3728 3.9107 3.9107 3.9191 3.9191 4.9981 4.9981 4.9989 4.9989 7.9868 7.9868 8.0660 8.0660 9.2095 9.2095 9.2603 9.2603 9.8634 9.8634 9.9624 9.9624 11.1862 11.1862 11.2227 11.2227 13.5585 13.5585 13.6141 13.6141 16.4506 16.4506 16.4928 16.4928 k = 0.1332 0.5214 1.0243 ( 3704 PWs) bands (ev): -48.6515 -48.6515 -48.6515 -48.6515 -23.0453 -23.0453 -23.0449 -23.0449 -15.4468 -15.4468 -15.4442 -15.4442 -15.3729 -15.3729 -15.3718 -15.3718 3.8704 3.8704 3.8798 3.8798 4.9776 4.9776 4.9820 4.9820 7.9723 7.9723 8.0394 8.0394 9.3108 9.3108 9.3657 9.3657 9.9074 9.9074 9.9957 9.9957 11.2416 11.2416 11.2810 11.2810 13.4941 13.4941 13.5489 13.5489 16.4152 16.4152 16.4648 16.4648 k = 0.1274 0.4988 1.0243 ( 3708 PWs) bands (ev): -48.6516 -48.6516 -48.6516 -48.6516 -23.0448 -23.0448 -23.0444 -23.0444 -15.4455 -15.4455 -15.4430 -15.4430 -15.3717 -15.3717 -15.3706 -15.3706 3.8303 3.8303 3.8405 3.8405 4.9584 4.9584 4.9661 4.9661 7.9543 7.9543 8.0105 8.0105 9.4137 9.4137 9.4698 9.4698 9.9580 9.9580 10.0338 10.0338 11.2992 11.2992 11.3415 11.3415 13.4347 13.4347 13.4891 13.4891 16.3680 16.3680 16.4268 16.4268 k = 0.1216 0.4761 1.0243 ( 3708 PWs) bands (ev): -48.6517 -48.6517 -48.6517 -48.6517 -23.0442 -23.0442 -23.0438 -23.0438 -15.4443 -15.4443 -15.4419 -15.4419 -15.3703 -15.3703 -15.3693 -15.3693 3.7906 3.7906 3.8016 3.8016 4.9403 4.9403 4.9509 4.9509 7.9338 7.9338 7.9804 7.9804 9.5160 9.5160 9.5697 9.5697 10.0165 10.0165 10.0776 10.0776 11.3587 11.3587 11.4042 11.4042 13.3808 13.3808 13.4350 13.4350 16.3081 16.3081 16.3772 16.3772 k = 0.1158 0.4534 1.0243 ( 3708 PWs) bands (ev): -48.6518 -48.6518 -48.6518 -48.6518 -23.0437 -23.0437 -23.0433 -23.0433 -15.4432 -15.4432 -15.4409 -15.4409 -15.3688 -15.3688 -15.3679 -15.3679 3.7516 3.7516 3.7632 3.7632 4.9233 4.9233 4.9365 4.9365 7.9118 7.9118 7.9499 7.9499 9.6154 9.6154 9.6629 9.6629 10.0843 10.0843 10.1278 10.1278 11.4201 11.4201 11.4688 11.4688 13.3325 13.3325 13.3871 13.3871 16.2351 16.2351 16.3146 16.3146 k = 0.1100 0.4308 1.0243 ( 3708 PWs) bands (ev): -48.6519 -48.6519 -48.6519 -48.6519 -23.0432 -23.0432 -23.0428 -23.0428 -15.4422 -15.4422 -15.4400 -15.4400 -15.3672 -15.3672 -15.3664 -15.3664 3.7136 3.7136 3.7255 3.7255 4.9072 4.9072 4.9227 4.9227 7.8888 7.8888 7.9195 7.9195 9.7096 9.7096 9.7475 9.7475 10.1619 10.1619 10.1854 10.1854 11.4831 11.4831 11.5353 11.5353 13.2902 13.2902 13.3457 13.3457 16.1502 16.1502 16.2386 16.2386 k = 0.1042 0.4081 1.0243 ( 3706 PWs) bands (ev): -48.6520 -48.6520 -48.6520 -48.6520 -23.0427 -23.0427 -23.0423 -23.0423 -15.4413 -15.4413 -15.4392 -15.4392 -15.3655 -15.3655 -15.3648 -15.3648 3.6767 3.6767 3.6888 3.6888 4.8920 4.8920 4.9093 4.9093 7.8654 7.8654 7.8896 7.8896 9.7969 9.7969 9.8234 9.8234 10.2484 10.2484 10.2509 10.2509 11.5477 11.5477 11.6034 11.6034 13.2543 13.2543 13.3113 13.3113 16.0555 16.0555 16.1502 16.1502 k = 0.0984 0.3854 1.0243 ( 3702 PWs) bands (ev): -48.6521 -48.6521 -48.6521 -48.6521 -23.0422 -23.0422 -23.0418 -23.0418 -15.4405 -15.4405 -15.4385 -15.4385 -15.3637 -15.3637 -15.3631 -15.3631 3.6410 3.6410 3.6533 3.6533 4.8776 4.8776 4.8965 4.8965 7.8420 7.8420 7.8604 7.8604 9.8763 9.8763 9.8914 9.8914 10.3242 10.3242 10.3416 10.3416 11.6138 11.6138 11.6732 11.6732 13.2251 13.2251 13.2841 13.2841 15.9534 15.9534 16.0519 16.0519 k = 0.0926 0.3627 1.0243 ( 3702 PWs) bands (ev): -48.6521 -48.6521 -48.6521 -48.6521 -23.0417 -23.0417 -23.0413 -23.0413 -15.4399 -15.4399 -15.4380 -15.4380 -15.3619 -15.3619 -15.3614 -15.3614 3.6067 3.6067 3.6190 3.6190 4.8641 4.8641 4.8841 4.8841 7.8188 7.8188 7.8323 7.8323 9.9479 9.9479 9.9532 9.9532 10.4039 10.4039 10.4385 10.4385 11.6814 11.6814 11.7445 11.7445 13.2028 13.2028 13.2645 13.2645 15.8464 15.8464 15.9462 15.9462 k = 0.0868 0.3401 1.0243 ( 3706 PWs) bands (ev): -48.6522 -48.6522 -48.6522 -48.6522 -23.0412 -23.0412 -23.0409 -23.0409 -15.4393 -15.4393 -15.4376 -15.4376 -15.3601 -15.3601 -15.3597 -15.3597 3.5740 3.5740 3.5862 3.5862 4.8514 4.8514 4.8722 4.8722 7.7961 7.7961 7.8055 7.8055 10.0104 10.0104 10.0125 10.0125 10.4878 10.4878 10.5360 10.5360 11.7507 11.7507 11.8175 11.8175 13.1877 13.1877 13.2529 13.2529 15.7364 15.7364 15.8359 15.8359 k = 0.0810 0.3174 1.0243 ( 3714 PWs) bands (ev): -48.6523 -48.6523 -48.6523 -48.6523 -23.0408 -23.0408 -23.0405 -23.0405 -15.4389 -15.4389 -15.4373 -15.4373 -15.3582 -15.3582 -15.3580 -15.3580 3.5430 3.5430 3.5549 3.5549 4.8395 4.8395 4.8607 4.8607 7.7741 7.7741 7.7800 7.7800 10.0642 10.0642 10.0714 10.0714 10.5732 10.5732 10.6314 10.6314 11.8221 11.8221 11.8921 11.8921 13.1800 13.1800 13.2491 13.2491 15.6252 15.6252 15.7232 15.7232 k = 0.0753 0.2947 1.0243 ( 3714 PWs) bands (ev): -48.6524 -48.6524 -48.6524 -48.6524 -23.0404 -23.0404 -23.0400 -23.0400 -15.4385 -15.4385 -15.4371 -15.4371 -15.3564 -15.3564 -15.3562 -15.3562 3.5138 3.5138 3.5252 3.5252 4.8284 4.8284 4.8496 4.8496 7.7530 7.7530 7.7560 7.7560 10.1155 10.1155 10.1257 10.1257 10.6575 10.6575 10.7223 10.7223 11.8959 11.8959 11.9685 11.9685 13.1795 13.1795 13.2532 13.2532 15.5144 15.5144 15.6100 15.6100 k = 0.0695 0.2721 1.0243 ( 3714 PWs) bands (ev): -48.6525 -48.6525 -48.6525 -48.6525 -23.0400 -23.0400 -23.0396 -23.0396 -15.4382 -15.4382 -15.4369 -15.4369 -15.3546 -15.3546 -15.3545 -15.3545 3.4864 3.4864 3.4974 3.4974 4.8181 4.8181 4.8391 4.8391 7.7329 7.7329 7.7336 7.7336 10.1645 10.1645 10.1764 10.1764 10.7384 10.7384 10.8066 10.8066 11.9727 11.9727 12.0471 12.0471 13.1861 13.1861 13.2646 13.2646 15.4054 15.4054 15.4979 15.4979 k = 0.0637 0.2494 1.0243 ( 3710 PWs) bands (ev): -48.6525 -48.6525 -48.6525 -48.6525 -23.0395 -23.0395 -23.0392 -23.0392 -15.4379 -15.4379 -15.4367 -15.4367 -15.3529 -15.3529 -15.3528 -15.3528 3.4610 3.4610 3.4714 3.4714 4.8086 4.8086 4.8290 4.8290 7.7128 7.7128 7.7140 7.7140 10.2116 10.2116 10.2241 10.2241 10.8140 10.8140 10.8828 10.8828 12.0530 12.0530 12.1280 12.1280 13.1990 13.1990 13.2824 13.2824 15.2997 15.2997 15.3885 15.3885 k = 0.0579 0.2267 1.0243 ( 3714 PWs) bands (ev): -48.6526 -48.6526 -48.6526 -48.6526 -23.0392 -23.0392 -23.0389 -23.0389 -15.4377 -15.4377 -15.4367 -15.4367 -15.3513 -15.3513 -15.3512 -15.3512 3.4377 3.4377 3.4473 3.4473 4.8000 4.8000 4.8195 4.8195 7.6938 7.6938 7.6964 7.6964 10.2565 10.2565 10.2689 10.2689 10.8828 10.8828 10.9498 10.9498 12.1370 12.1370 12.2115 12.2115 13.2171 13.2171 13.3052 13.3052 15.1992 15.1992 15.2835 15.2835 k = 0.0521 0.2040 1.0243 ( 3706 PWs) bands (ev): -48.6527 -48.6527 -48.6527 -48.6527 -23.0388 -23.0388 -23.0386 -23.0386 -15.4375 -15.4375 -15.4366 -15.4366 -15.3497 -15.3497 -15.3496 -15.3496 3.4164 3.4164 3.4253 3.4253 4.7922 4.7922 4.8106 4.8106 7.6766 7.6766 7.6801 7.6801 10.2992 10.2992 10.3110 10.3110 10.9437 10.9437 11.0070 11.0070 12.2249 12.2249 12.2977 12.2977 13.2388 13.2388 13.3310 13.3310 15.1057 15.1057 15.1848 15.1848 k = 0.0463 0.1814 1.0243 ( 3710 PWs) bands (ev): -48.6527 -48.6527 -48.6527 -48.6527 -23.0385 -23.0385 -23.0383 -23.0383 -15.4374 -15.4374 -15.4366 -15.4366 -15.3482 -15.3482 -15.3482 -15.3482 3.3973 3.3973 3.4054 3.4054 4.7854 4.7854 4.8024 4.8024 7.6612 7.6612 7.6653 7.6653 10.3394 10.3394 10.3502 10.3502 10.9965 10.9965 11.0543 11.0543 12.3162 12.3162 12.3864 12.3864 13.2619 13.2619 13.3571 13.3571 15.0219 15.0219 15.0945 15.0945 k = 0.0405 0.1587 1.0243 ( 3706 PWs) bands (ev): -48.6528 -48.6528 -48.6528 -48.6528 -23.0382 -23.0382 -23.0380 -23.0380 -15.4373 -15.4373 -15.4366 -15.4366 -15.3469 -15.3469 -15.3469 -15.3469 3.3804 3.3804 3.3876 3.3876 4.7794 4.7794 4.7948 4.7948 7.6476 7.6476 7.6519 7.6519 10.3766 10.3766 10.3862 10.3862 11.0409 11.0409 11.0922 11.0922 12.4102 12.4102 12.4771 12.4771 13.2837 13.2837 13.3802 13.3802 14.9505 14.9505 15.0152 15.0152 k = 0.0347 0.1360 1.0243 ( 3702 PWs) bands (ev): -48.6528 -48.6528 -48.6528 -48.6528 -23.0379 -23.0379 -23.0378 -23.0378 -15.4372 -15.4372 -15.4366 -15.4366 -15.3457 -15.3457 -15.3457 -15.3457 3.3657 3.3657 3.3720 3.3720 4.7744 4.7744 4.7880 4.7880 7.6359 7.6359 7.6401 7.6401 10.4104 10.4104 10.4188 10.4188 11.0774 11.0774 11.1215 11.1215 12.5058 12.5058 12.5690 12.5690 13.3010 13.3010 13.3966 13.3966 14.8947 14.8947 14.9497 14.9497 k = 0.0289 0.1134 1.0243 ( 3698 PWs) bands (ev): -48.6528 -48.6528 -48.6528 -48.6528 -23.0377 -23.0377 -23.0375 -23.0375 -15.4372 -15.4372 -15.4366 -15.4366 -15.3447 -15.3447 -15.3447 -15.3447 3.3534 3.3534 3.3587 3.3587 4.7703 4.7703 4.7819 4.7819 7.6261 7.6261 7.6300 7.6300 10.4404 10.4404 10.4474 10.4474 11.1067 11.1067 11.1433 11.1433 12.6014 12.6014 12.6607 12.6607 13.3108 13.3108 13.4027 13.4027 14.8575 14.8575 14.9007 14.9007 k = 0.0232 0.0907 1.0243 ( 3694 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0375 -23.0375 -23.0374 -23.0374 -15.4371 -15.4371 -15.4367 -15.4367 -15.3439 -15.3439 -15.3439 -15.3439 3.3433 3.3433 3.3476 3.3476 4.7672 4.7672 4.7767 4.7767 7.6182 7.6182 7.6215 7.6215 10.4659 10.4659 10.4715 10.4715 11.1296 11.1296 11.1587 11.1587 12.6949 12.6949 12.7500 12.7500 13.3108 13.3108 13.3958 13.3958 14.8406 14.8406 14.8704 14.8704 k = 0.0174 0.0680 1.0243 ( 3694 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0372 -23.0372 -15.4370 -15.4370 -15.4367 -15.4367 -15.3432 -15.3432 -15.3432 -15.3432 3.3356 3.3356 3.3388 3.3388 4.7651 4.7651 4.7723 4.7723 7.6121 7.6121 7.6148 7.6148 10.4866 10.4866 10.4908 10.4908 11.1470 11.1470 11.1686 11.1686 12.7835 12.7835 12.8335 12.8335 13.3007 13.3007 13.3752 13.3752 14.8438 14.8438 14.8595 14.8595 k = 0.0116 0.0453 1.0243 ( 3698 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0372 -23.0372 -15.4370 -15.4370 -15.4368 -15.4368 -15.3428 -15.3428 -15.3427 -15.3427 3.3302 3.3302 3.3324 3.3324 4.7639 4.7639 4.7687 4.7687 7.6079 7.6079 7.6098 7.6098 10.5019 10.5019 10.5047 10.5047 11.1597 11.1597 11.1739 11.1739 12.8630 12.8630 12.9048 12.9048 13.2843 13.2843 13.3433 13.3433 14.8627 14.8627 14.8660 14.8660 k = 0.0058 0.0227 1.0243 ( 3706 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4369 -15.4369 -15.3425 -15.3425 -15.3425 -15.3425 3.3272 3.3272 3.3283 3.3283 4.7637 4.7637 4.7661 4.7661 7.6056 7.6056 7.6066 7.6066 10.5116 10.5116 10.5130 10.5130 11.1684 11.1684 11.1755 11.1755 12.9260 12.9260 12.9522 12.9522 13.2719 13.2719 13.3069 13.3069 14.8829 14.8829 14.8861 14.8861 k = 0.0000 0.0000 1.0243 ( 3712 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4370 -15.4370 -15.3425 -15.3425 -15.3425 -15.3425 3.3265 3.3265 3.3265 3.3265 4.7644 4.7644 4.7644 4.7644 7.6052 7.6052 7.6052 7.6052 10.5153 10.5153 10.5153 10.5153 11.1736 11.1736 11.1736 11.1736 12.9602 12.9602 12.9602 12.9602 13.2786 13.2786 13.2786 13.2786 14.8952 14.8952 14.8952 14.8952 k = 0.0000 0.0000 1.0243 ( 3712 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4370 -15.4370 -15.3425 -15.3425 -15.3425 -15.3425 3.3265 3.3265 3.3265 3.3265 4.7644 4.7644 4.7644 4.7644 7.6052 7.6052 7.6052 7.6052 10.5153 10.5153 10.5153 10.5153 11.1736 11.1736 11.1736 11.1736 12.9602 12.9602 12.9602 12.9602 13.2786 13.2786 13.2786 13.2786 14.8952 14.8952 14.8952 14.8952 k = 0.0000 0.0000 1.0010 ( 3702 PWs) bands (ev): -48.6530 -48.6530 -48.6529 -48.6529 -23.0375 -23.0375 -23.0368 -23.0368 -15.4378 -15.4378 -15.4358 -15.4358 -15.3434 -15.3434 -15.3415 -15.3415 3.2064 3.2064 3.4484 3.4484 4.6697 4.6697 4.8611 4.8611 7.4898 7.4898 7.7221 7.7221 10.5124 10.5124 10.5190 10.5190 11.1719 11.1719 11.1739 11.1739 12.8855 12.8855 13.0367 13.0367 13.2283 13.2283 13.3290 13.3290 14.8383 14.8383 14.9516 14.9516 k = 0.0000 0.0000 0.9778 ( 3702 PWs) bands (ev): -48.6531 -48.6531 -48.6528 -48.6528 -23.0379 -23.0379 -23.0363 -23.0363 -15.4386 -15.4386 -15.4344 -15.4344 -15.3443 -15.3443 -15.3406 -15.3406 3.0882 3.0882 3.5719 3.5719 4.5770 4.5770 4.9596 4.9596 7.3762 7.3762 7.8402 7.8402 10.5105 10.5105 10.5234 10.5234 11.1688 11.1688 11.1728 11.1728 12.8132 12.8132 13.1137 13.1137 13.1803 13.1803 13.3774 13.3774 14.7833 14.7833 14.9414 14.9414 k = 0.0000 0.0000 0.9545 ( 3694 PWs) bands (ev): -48.6532 -48.6532 -48.6527 -48.6527 -23.0381 -23.0381 -23.0358 -23.0358 -15.4390 -15.4390 -15.4326 -15.4326 -15.3452 -15.3452 -15.3397 -15.3397 2.9720 2.9720 3.6966 3.6966 4.4868 4.4868 5.0596 5.0596 7.2648 7.2648 7.9594 7.9594 10.5097 10.5097 10.5283 10.5283 11.1642 11.1642 11.1704 11.1704 12.7440 12.7440 13.1307 13.1307 13.1953 13.1953 13.4214 13.4214 14.7298 14.7298 14.8607 14.8607 k = 0.0000 0.0000 0.9312 ( 3688 PWs) bands (ev): -48.6533 -48.6533 -48.6527 -48.6527 -23.0383 -23.0383 -23.0351 -23.0351 -15.4392 -15.4392 -15.4307 -15.4307 -15.3461 -15.3461 -15.3388 -15.3388 2.8578 2.8578 3.8218 3.8218 4.3996 4.3996 5.1609 5.1609 7.1558 7.1558 8.0794 8.0794 10.5100 10.5100 10.5335 10.5335 11.1577 11.1577 11.1669 11.1669 12.6784 12.6784 13.0889 13.0889 13.2722 13.2722 13.4579 13.4579 14.6778 14.6778 14.7930 14.7930 k = 0.0000 0.0000 0.9079 ( 3696 PWs) bands (ev): -48.6534 -48.6534 -48.6526 -48.6526 -23.0385 -23.0385 -23.0346 -23.0346 -15.4393 -15.4393 -15.4286 -15.4286 -15.3471 -15.3471 -15.3380 -15.3380 2.7457 2.7457 3.9456 3.9456 4.3174 4.3174 5.2633 5.2633 7.0499 7.0499 8.1999 8.1999 10.5114 10.5114 10.5388 10.5388 11.1492 11.1492 11.1625 11.1625 12.6168 12.6168 13.0505 13.0505 13.3483 13.3483 13.4833 13.4833 14.6292 14.6292 14.7441 14.7441 k = 0.0000 0.0000 0.8846 ( 3700 PWs) bands (ev): -48.6535 -48.6535 -48.6526 -48.6526 -23.0388 -23.0388 -23.0340 -23.0340 -15.4392 -15.4392 -15.4263 -15.4263 -15.3480 -15.3480 -15.3372 -15.3372 2.6358 2.6358 4.0577 4.0577 4.2502 4.2502 5.3662 5.3662 6.9475 6.9475 8.3207 8.3207 10.5140 10.5140 10.5439 10.5439 11.1384 11.1384 11.1574 11.1574 12.5597 12.5597 13.0169 13.0169 13.4214 13.4214 13.4936 13.4936 14.5894 14.5894 14.7139 14.7139 k = 0.0000 0.0000 0.8614 ( 3700 PWs) bands (ev): -48.6536 -48.6536 -48.6526 -48.6526 -23.0389 -23.0389 -23.0333 -23.0333 -15.4388 -15.4388 -15.4238 -15.4238 -15.3489 -15.3489 -15.3364 -15.3364 2.5281 2.5281 4.0924 4.0924 4.2638 4.2638 5.4691 5.4691 6.8498 6.8498 8.4415 8.4415 10.5177 10.5177 10.5485 10.5485 11.1249 11.1249 11.1518 11.1518 12.5075 12.5075 12.9886 12.9886 13.4839 13.4839 13.4919 13.4919 14.5639 14.5639 14.7016 14.7016 k = 0.0000 0.0000 0.8381 ( 3698 PWs) bands (ev): -48.6538 -48.6538 -48.6526 -48.6526 -23.0389 -23.0389 -23.0326 -23.0326 -15.4383 -15.4383 -15.4210 -15.4210 -15.3497 -15.3497 -15.3357 -15.3357 2.4227 2.4227 4.0349 4.0349 4.3723 4.3723 5.5707 5.5707 6.7580 6.7580 8.5620 8.5620 10.5226 10.5226 10.5523 10.5523 11.1088 11.1088 11.1457 11.1457 12.4608 12.4608 12.9660 12.9660 13.4589 13.4589 13.5522 13.5522 14.5553 14.5553 14.7070 14.7070 k = 0.0000 0.0000 0.8148 ( 3698 PWs) bands (ev): -48.6539 -48.6539 -48.6526 -48.6526 -23.0389 -23.0389 -23.0318 -23.0318 -15.4376 -15.4376 -15.4180 -15.4180 -15.3505 -15.3505 -15.3350 -15.3350 2.3197 2.3197 3.9620 3.9620 4.4991 4.4991 5.6693 5.6693 6.6743 6.6743 8.6819 8.6819 10.5286 10.5286 10.5550 10.5550 11.0899 11.0899 11.1392 11.1392 12.4200 12.4200 12.9493 12.9493 13.4146 13.4146 13.6059 13.6059 14.5637 14.5637 14.7304 14.7304 k = 0.0000 0.0000 0.7915 ( 3701 PWs) bands (ev): -48.6541 -48.6541 -48.6526 -48.6526 -23.0389 -23.0389 -23.0311 -23.0311 -15.4367 -15.4367 -15.4149 -15.4149 -15.3512 -15.3512 -15.3343 -15.3343 2.2190 2.2190 3.8875 3.8875 4.6293 4.6293 5.7619 5.7619 6.6024 6.6024 8.8009 8.8009 10.5356 10.5356 10.5562 10.5562 11.0683 11.0683 11.1324 11.1324 12.3855 12.3855 12.9386 12.9386 13.3555 13.3555 13.6498 13.6498 14.5877 14.5877 14.7707 14.7707 k = 0.0000 0.0000 0.7682 ( 3703 PWs) bands (ev): -48.6542 -48.6542 -48.6526 -48.6526 -23.0388 -23.0388 -23.0303 -23.0303 -15.4357 -15.4357 -15.4116 -15.4116 -15.3519 -15.3519 -15.3337 -15.3337 2.1207 2.1207 3.8139 3.8139 4.7599 4.7599 5.8432 5.8432 6.5484 6.5484 8.9186 8.9186 10.5435 10.5435 10.5556 10.5556 11.0442 11.0442 11.1252 11.1252 12.3577 12.3577 12.9338 12.9338 13.2854 13.2854 13.6836 13.6836 14.6257 14.6257 14.8256 14.8256 k = 0.0000 0.0000 0.7450 ( 3703 PWs) bands (ev): -48.6544 -48.6544 -48.6526 -48.6526 -23.0387 -23.0387 -23.0296 -23.0296 -15.4345 -15.4345 -15.4082 -15.4082 -15.3525 -15.3525 -15.3330 -15.3330 2.0249 2.0249 3.7418 3.7418 4.8888 4.8888 5.9055 5.9055 6.5214 6.5214 9.0345 9.0345 10.5507 10.5507 10.5547 10.5547 11.0176 11.0176 11.1177 11.1177 12.3369 12.3369 12.9346 12.9346 13.2077 13.2077 13.7076 13.7076 14.6739 14.6739 14.8884 14.8884 k = 0.0000 0.0000 0.7217 ( 3707 PWs) bands (ev): -48.6545 -48.6545 -48.6526 -48.6526 -23.0386 -23.0386 -23.0287 -23.0287 -15.4334 -15.4334 -15.4047 -15.4047 -15.3529 -15.3529 -15.3324 -15.3324 1.9315 1.9315 3.6716 3.6716 5.0135 5.0135 5.9418 5.9418 6.5305 6.5305 9.1482 9.1482 10.5473 10.5473 10.5629 10.5629 10.9890 10.9890 11.1098 11.1098 12.3234 12.3234 12.9402 12.9402 13.1257 13.1257 13.7232 13.7232 14.7119 14.7119 14.8212 14.8212 k = 0.0000 0.0000 0.6984 ( 3705 PWs) bands (ev): -48.6547 -48.6547 -48.6527 -48.6527 -23.0385 -23.0385 -23.0277 -23.0277 -15.4322 -15.4322 -15.4010 -15.4010 -15.3533 -15.3533 -15.3318 -15.3318 1.8407 1.8407 3.6034 3.6034 5.1298 5.1298 5.9543 5.9543 6.5775 6.5775 9.2593 9.2593 10.5400 10.5400 10.5732 10.5732 10.9585 10.9585 11.1014 11.1014 12.3173 12.3173 12.9472 12.9472 13.0447 13.0447 13.7324 13.7324 14.6642 14.6642 14.8453 14.8453 k = 0.0000 0.0000 0.6751 ( 3707 PWs) bands (ev): -48.6548 -48.6548 -48.6527 -48.6527 -23.0383 -23.0383 -23.0269 -23.0269 -15.4309 -15.4309 -15.3972 -15.3972 -15.3534 -15.3534 -15.3312 -15.3312 1.7524 1.7524 3.5373 3.5373 5.2310 5.2310 5.9574 5.9574 6.6545 6.6545 9.3671 9.3671 10.5301 10.5301 10.5843 10.5843 10.9265 10.9265 11.0926 11.0926 12.3187 12.3187 12.9250 12.9250 12.9964 12.9964 13.7372 13.7372 14.5820 14.5820 14.9198 14.9198 k = 0.0000 0.0000 0.6518 ( 3723 PWs) bands (ev): -48.6550 -48.6550 -48.6527 -48.6527 -23.0381 -23.0381 -23.0261 -23.0261 -15.4297 -15.4297 -15.3935 -15.3935 -15.3535 -15.3535 -15.3306 -15.3306 1.6667 1.6667 3.4733 3.4733 5.3071 5.3071 5.9714 5.9714 6.7515 6.7515 9.4710 9.4710 10.5176 10.5176 10.5958 10.5958 10.8934 10.8934 11.0833 11.0833 12.3275 12.3275 12.8483 12.8483 13.0072 13.0072 13.7393 13.7393 14.5032 14.5032 15.0052 15.0052 k = 0.0000 0.0000 0.6286 ( 3719 PWs) bands (ev): -48.6552 -48.6552 -48.6528 -48.6528 -23.0379 -23.0379 -23.0252 -23.0252 -15.4284 -15.4284 -15.3897 -15.3897 -15.3533 -15.3533 -15.3300 -15.3300 1.5836 1.5836 3.4114 3.4114 5.3482 5.3482 6.0134 6.0134 6.8610 6.8610 9.5705 9.5705 10.5028 10.5028 10.6078 10.6078 10.8596 10.8596 11.0734 11.0734 12.3434 12.3434 12.7624 12.7624 13.0324 13.0324 13.7405 13.7405 14.4329 14.4329 15.0943 15.0943 k = 0.0000 0.0000 0.6053 ( 3709 PWs) bands (ev): -48.6553 -48.6553 -48.6528 -48.6528 -23.0375 -23.0375 -23.0242 -23.0242 -15.4271 -15.4271 -15.3858 -15.3858 -15.3529 -15.3529 -15.3294 -15.3294 1.5032 1.5032 3.3517 3.3517 5.3528 5.3528 6.0890 6.0890 6.9787 6.9787 9.6648 9.6648 10.4857 10.4857 10.6200 10.6200 10.8256 10.8256 11.0629 11.0629 12.3657 12.3657 12.6765 12.6765 13.0634 13.0634 13.7418 13.7418 14.3726 14.3726 15.1700 15.1700 k = 0.0000 0.0000 0.5820 ( 3709 PWs) bands (ev): -48.6555 -48.6555 -48.6529 -48.6529 -23.0372 -23.0372 -23.0233 -23.0233 -15.4259 -15.4259 -15.3820 -15.3820 -15.3523 -15.3523 -15.3287 -15.3287 1.4255 1.4255 3.2942 3.2942 5.3292 5.3292 6.1924 6.1924 7.1020 7.1020 9.7533 9.7533 10.4667 10.4667 10.6323 10.6323 10.7919 10.7919 11.0517 11.0517 12.3921 12.3921 12.5941 12.5941 13.0990 13.0990 13.7444 13.7444 14.3231 14.3231 15.1367 15.1367 k = 0.0000 0.0000 0.5587 ( 3713 PWs) bands (ev): -48.6557 -48.6557 -48.6529 -48.6529 -23.0369 -23.0369 -23.0224 -23.0224 -15.4249 -15.4249 -15.3782 -15.3782 -15.3515 -15.3515 -15.3280 -15.3280 1.3506 1.3506 3.2389 3.2389 5.2881 5.2881 6.3143 6.3143 7.2296 7.2296 9.8350 9.8350 10.4460 10.4460 10.6445 10.6445 10.7590 10.7590 11.0396 11.0396 12.4121 12.4121 12.5263 12.5263 13.1385 13.1385 13.7489 13.7489 14.2852 14.2852 15.0587 15.0587 k = 0.0000 0.0000 0.5354 ( 3711 PWs) bands (ev): -48.6559 -48.6559 -48.6530 -48.6530 -23.0366 -23.0366 -23.0214 -23.0214 -15.4239 -15.4239 -15.3746 -15.3746 -15.3505 -15.3505 -15.3272 -15.3272 1.2783 1.2783 3.1857 3.1857 5.2372 5.2372 6.4477 6.4477 7.3604 7.3604 9.9093 9.9093 10.4238 10.4238 10.6565 10.6565 10.7275 10.7275 11.0267 11.0267 12.3832 12.3832 12.5153 12.5153 13.1816 13.1816 13.7561 13.7561 14.2593 14.2593 14.9713 14.9713 k = 0.0000 0.0000 0.5122 ( 3711 PWs) bands (ev): -48.6560 -48.6560 -48.6530 -48.6530 -23.0363 -23.0363 -23.0205 -23.0205 -15.4232 -15.4232 -15.3711 -15.3711 -15.3492 -15.3492 -15.3264 -15.3264 1.2089 1.2089 3.1348 3.1348 5.1812 5.1812 6.5884 6.5884 7.4938 7.4938 9.9753 9.9753 10.4006 10.4006 10.6674 10.6674 10.6988 10.6988 11.0129 11.0129 12.3131 12.3131 12.5536 12.5536 13.2280 13.2280 13.7664 13.7664 14.2456 14.2456 14.8803 14.8803 k = 0.0000 0.0000 0.4889 ( 3711 PWs) bands (ev): -48.6562 -48.6562 -48.6531 -48.6531 -23.0359 -23.0359 -23.0196 -23.0196 -15.4224 -15.4224 -15.3678 -15.3678 -15.3478 -15.3478 -15.3254 -15.3254 1.1423 1.1423 3.0861 3.0861 5.1230 5.1230 6.7338 6.7338 7.6294 7.6294 10.0322 10.0322 10.3766 10.3766 10.6658 10.6658 10.6847 10.6847 10.9980 10.9980 12.2357 12.2357 12.6068 12.6068 13.2778 13.2778 13.7801 13.7801 14.2441 14.2441 14.7878 14.7878 k = 0.0000 0.0000 0.4656 ( 3711 PWs) bands (ev): -48.6564 -48.6564 -48.6531 -48.6531 -23.0355 -23.0355 -23.0187 -23.0187 -15.4219 -15.4219 -15.3647 -15.3647 -15.3462 -15.3462 -15.3242 -15.3242 1.0786 1.0786 3.0397 3.0397 5.0641 5.0641 6.8824 6.8824 7.7669 7.7669 10.0794 10.0794 10.3521 10.3521 10.6443 10.6443 10.6934 10.6934 10.9821 10.9821 12.1580 12.1580 12.6677 12.6677 13.3310 13.3310 13.7976 13.7976 14.2547 14.2547 14.6949 14.6949 k = 0.0000 0.0000 0.4423 ( 3697 PWs) bands (ev): -48.6565 -48.6565 -48.6532 -48.6532 -23.0351 -23.0351 -23.0177 -23.0177 -15.4214 -15.4214 -15.3617 -15.3617 -15.3444 -15.3444 -15.3228 -15.3228 1.0177 1.0177 2.9955 2.9955 5.0058 5.0058 7.0330 7.0330 7.9058 7.9058 10.1164 10.1164 10.3274 10.3274 10.6245 10.6245 10.7035 10.7035 10.9651 10.9651 12.0811 12.0811 12.7349 12.7349 13.3876 13.3876 13.8191 13.8191 14.2767 14.2767 14.6021 14.6021 k = 0.0000 0.0000 0.4190 ( 3699 PWs) bands (ev): -48.6567 -48.6567 -48.6533 -48.6533 -23.0348 -23.0348 -23.0168 -23.0168 -15.4211 -15.4211 -15.3590 -15.3590 -15.3427 -15.3427 -15.3213 -15.3213 0.9598 0.9598 2.9535 2.9535 4.9487 4.9487 7.1850 7.1850 8.0460 8.0460 10.1430 10.1430 10.3028 10.3028 10.6087 10.6087 10.7132 10.7132 10.9468 10.9468 12.0056 12.0056 12.8073 12.8073 13.4479 13.4479 13.8446 13.8446 14.3087 14.3087 14.5107 14.5107 k = 0.0000 0.0000 0.3958 ( 3703 PWs) bands (ev): -48.6568 -48.6568 -48.6533 -48.6533 -23.0345 -23.0345 -23.0160 -23.0160 -15.4210 -15.4210 -15.3565 -15.3565 -15.3410 -15.3410 -15.3195 -15.3195 0.9048 0.9048 2.9138 2.9138 4.8934 4.8934 7.3377 7.3377 8.1871 8.1871 10.1595 10.1595 10.2784 10.2784 10.5972 10.5972 10.7222 10.7222 10.9275 10.9275 11.9315 11.9315 12.8846 12.8846 13.5119 13.5119 13.8742 13.8742 14.3438 14.3438 14.4268 14.4268 k = 0.0000 0.0000 0.3725 ( 3711 PWs) bands (ev): -48.6570 -48.6570 -48.6534 -48.6534 -23.0342 -23.0342 -23.0152 -23.0152 -15.4209 -15.4209 -15.3542 -15.3542 -15.3395 -15.3395 -15.3175 -15.3175 0.8528 0.8528 2.8763 2.8763 4.8402 4.8402 7.4906 7.4906 8.3289 8.3289 10.1669 10.1669 10.2546 10.2546 10.5894 10.5894 10.7303 10.7303 10.9069 10.9069 11.8587 11.8587 12.9664 12.9664 13.5797 13.5797 13.9079 13.9079 14.3115 14.3115 14.4203 14.4203 k = 0.0000 0.0000 0.3492 ( 3713 PWs) bands (ev): -48.6571 -48.6571 -48.6535 -48.6535 -23.0339 -23.0339 -23.0145 -23.0145 -15.4209 -15.4209 -15.3521 -15.3521 -15.3380 -15.3380 -15.3153 -15.3153 0.8037 0.8037 2.8411 2.8411 4.7894 4.7894 7.6431 7.6431 8.4712 8.4712 10.1667 10.1667 10.2315 10.2315 10.5847 10.5847 10.7373 10.7373 10.8853 10.8853 11.7870 11.7870 13.0521 13.0521 13.6511 13.6511 13.9454 13.9454 14.2266 14.2266 14.4760 14.4760 k = 0.0000 0.0000 0.3259 ( 3713 PWs) bands (ev): -48.6572 -48.6572 -48.6535 -48.6535 -23.0335 -23.0335 -23.0137 -23.0137 -15.4210 -15.4210 -15.3502 -15.3502 -15.3366 -15.3366 -15.3130 -15.3130 0.7578 0.7578 2.8082 2.8082 4.7413 4.7413 7.7949 7.7949 8.6135 8.6135 10.1606 10.1606 10.2092 10.2092 10.5818 10.5818 10.7429 10.7429 10.8628 10.8628 11.7163 11.7163 13.1416 13.1416 13.7259 13.7259 13.9850 13.9850 14.1410 14.1410 14.5428 14.5428 k = 0.0000 0.0000 0.3026 ( 3715 PWs) bands (ev): -48.6574 -48.6574 -48.6536 -48.6536 -23.0332 -23.0332 -23.0130 -23.0130 -15.4211 -15.4211 -15.3485 -15.3485 -15.3352 -15.3352 -15.3105 -15.3105 0.7148 0.7148 2.7775 2.7775 4.6959 4.6959 7.9454 7.9454 8.7555 8.7555 10.1503 10.1503 10.1880 10.1880 10.5799 10.5799 10.7466 10.7466 10.8401 10.8401 11.6464 11.6464 13.2342 13.2342 13.8032 13.8032 14.0090 14.0090 14.0770 14.0770 14.6160 14.6160 k = 0.0000 0.0000 0.2794 ( 3717 PWs) bands (ev): -48.6575 -48.6575 -48.6537 -48.6537 -23.0330 -23.0330 -23.0124 -23.0124 -15.4213 -15.4213 -15.3470 -15.3470 -15.3339 -15.3339 -15.3081 -15.3081 0.6750 0.6750 2.7490 2.7490 4.6535 4.6535 8.0940 8.0940 8.8969 8.8969 10.1374 10.1374 10.1678 10.1678 10.5782 10.5782 10.7470 10.7470 10.8183 10.8183 11.5768 11.5768 13.3294 13.3294 13.8774 13.8774 13.9564 13.9564 14.1014 14.1014 14.6938 14.6938 k = 0.0000 0.0000 0.2561 ( 3711 PWs) bands (ev): -48.6576 -48.6576 -48.6537 -48.6537 -23.0326 -23.0326 -23.0117 -23.0117 -15.4215 -15.4215 -15.3457 -15.3457 -15.3326 -15.3326 -15.3056 -15.3056 0.6382 0.6382 2.7229 2.7229 4.6141 4.6141 8.2401 8.2401 9.0370 9.0370 10.1229 10.1229 10.1489 10.1489 10.5761 10.5761 10.7412 10.7412 10.8008 10.8008 11.5075 11.5075 13.4257 13.4257 13.8597 13.8597 13.9766 13.9766 14.1548 14.1548 14.7745 14.7745 k = 0.0000 0.0000 0.2328 ( 3715 PWs) bands (ev): -48.6577 -48.6577 -48.6538 -48.6538 -23.0324 -23.0324 -23.0111 -23.0111 -15.4218 -15.4218 -15.3446 -15.3446 -15.3314 -15.3314 -15.3032 -15.3032 0.6046 0.6046 2.6990 2.6990 4.5778 4.5778 8.3831 8.3831 9.1754 9.1754 10.1078 10.1078 10.1312 10.1312 10.5733 10.5733 10.7257 10.7257 10.7910 10.7910 11.4381 11.4381 13.5190 13.5190 13.7877 13.7877 14.0566 14.0566 14.2159 14.2159 14.8551 14.8551 k = 0.0000 0.0000 0.2095 ( 3713 PWs) bands (ev): -48.6578 -48.6578 -48.6538 -48.6538 -23.0321 -23.0321 -23.0106 -23.0106 -15.4220 -15.4220 -15.3437 -15.3437 -15.3301 -15.3301 -15.3010 -15.3010 0.5741 0.5741 2.6774 2.6774 4.5448 4.5448 8.5220 8.5220 9.3113 9.3113 10.0928 10.0928 10.1150 10.1150 10.5697 10.5697 10.7020 10.7020 10.7877 10.7877 11.3684 11.3684 13.5878 13.5878 13.7414 13.7414 14.1389 14.1389 14.2830 14.2830 14.8190 14.8190 k = 0.0000 0.0000 0.1862 ( 3713 PWs) bands (ev): -48.6579 -48.6579 -48.6538 -48.6538 -23.0318 -23.0318 -23.0102 -23.0102 -15.4222 -15.4222 -15.3430 -15.3430 -15.3289 -15.3289 -15.2989 -15.2989 0.5467 0.5467 2.6580 2.6580 4.5151 4.5151 8.6559 8.6559 9.4438 9.4438 10.0786 10.0786 10.1002 10.1002 10.5650 10.5650 10.6744 10.6744 10.7873 10.7873 11.2983 11.2983 13.5716 13.5716 13.7841 13.7841 14.2193 14.2193 14.3557 14.3557 14.7093 14.7093 k = 0.0000 0.0000 0.1630 ( 3717 PWs) bands (ev): -48.6580 -48.6580 -48.6539 -48.6539 -23.0316 -23.0316 -23.0098 -23.0098 -15.4224 -15.4224 -15.3424 -15.3424 -15.3278 -15.3278 -15.2971 -15.2971 0.5226 0.5226 2.6410 2.6410 4.4888 4.4888 8.7835 8.7835 9.5715 9.5715 10.0656 10.0656 10.0870 10.0870 10.5588 10.5588 10.6458 10.6458 10.7880 10.7880 11.2276 11.2276 13.5101 13.5101 13.8769 13.8769 14.2945 14.2945 14.4333 14.4333 14.6132 14.6132 k = 0.0000 0.0000 0.1397 ( 3717 PWs) bands (ev): -48.6580 -48.6580 -48.6539 -48.6539 -23.0314 -23.0314 -23.0095 -23.0095 -15.4226 -15.4226 -15.3419 -15.3419 -15.3268 -15.3268 -15.2954 -15.2954 0.5016 0.5016 2.6262 2.6262 4.4658 4.4658 8.9032 8.9032 9.6929 9.6929 10.0543 10.0543 10.0753 10.0753 10.5502 10.5502 10.6190 10.6190 10.7890 10.7890 11.1565 11.1565 13.4444 13.4444 13.9791 13.9791 14.3545 14.3545 14.5137 14.5137 14.5432 14.5432 k = 0.0000 0.0000 0.1164 ( 3721 PWs) bands (ev): -48.6581 -48.6581 -48.6539 -48.6539 -23.0312 -23.0312 -23.0092 -23.0092 -15.4228 -15.4228 -15.3416 -15.3416 -15.3259 -15.3259 -15.2940 -15.2940 0.4838 0.4838 2.6136 2.6136 4.4464 4.4464 9.0132 9.0132 9.8052 9.8052 10.0454 10.0454 10.0651 10.0651 10.5380 10.5380 10.5973 10.5973 10.7901 10.7901 11.0854 11.0854 13.3827 13.3827 14.0824 14.0824 14.3657 14.3657 14.5315 14.5315 14.5976 14.5976 k = 0.0000 0.0000 0.0931 ( 3725 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0311 -23.0311 -23.0090 -23.0090 -15.4230 -15.4230 -15.3414 -15.3414 -15.3252 -15.3252 -15.2928 -15.2928 0.4693 0.4693 2.6034 2.6034 4.4304 4.4304 9.1109 9.1109 9.9034 9.9034 10.0408 10.0408 10.0567 10.0567 10.5234 10.5234 10.5824 10.5824 10.7912 10.7912 11.0153 11.0153 13.3284 13.3284 14.1827 14.1827 14.3281 14.3281 14.5821 14.5821 14.6785 14.6785 k = 0.0000 0.0000 0.0698 ( 3721 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0310 -23.0310 -23.0087 -23.0087 -15.4231 -15.4231 -15.3411 -15.3411 -15.3245 -15.3245 -15.2918 -15.2918 0.4579 0.4579 2.5954 2.5954 4.4179 4.4179 9.1932 9.1932 9.9748 9.9748 10.0480 10.0480 10.0510 10.0510 10.5119 10.5119 10.5725 10.5725 10.7924 10.7924 10.9481 10.9481 13.2837 13.2837 14.2739 14.2739 14.2876 14.2876 14.6491 14.6491 14.7549 14.7549 k = 0.0000 0.0000 0.0466 ( 3721 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0086 -23.0086 -15.4232 -15.4232 -15.3410 -15.3410 -15.3241 -15.3241 -15.2911 -15.2911 0.4499 0.4499 2.5897 2.5897 4.4090 4.4090 9.2564 9.2564 10.0001 10.0001 10.0446 10.0446 10.0840 10.0840 10.5098 10.5098 10.5648 10.5648 10.7940 10.7940 10.8878 10.8878 13.2503 13.2503 14.2521 14.2521 14.3556 14.3556 14.7151 14.7151 14.8236 14.8236 k = 0.0000 0.0000 0.0233 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0085 -23.0085 -15.4233 -15.4233 -15.3409 -15.3409 -15.3238 -15.3238 -15.2907 -15.2907 0.4450 0.4450 2.5863 2.5863 4.4036 4.4036 9.2964 9.2964 10.0038 10.0038 10.0414 10.0414 10.1165 10.1165 10.5179 10.5179 10.5572 10.5572 10.7973 10.7973 10.8412 10.8412 13.2297 13.2297 14.2316 14.2316 14.4111 14.4111 14.7677 14.7677 14.8828 14.8828 k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0084 -23.0084 -15.4233 -15.4233 -15.3409 -15.3409 -15.3238 -15.3238 -15.2905 -15.2905 0.4434 0.4434 2.5851 2.5851 4.4019 4.4019 9.3102 9.3102 10.0042 10.0042 10.0403 10.0403 10.1280 10.1280 10.5253 10.5253 10.5520 10.5520 10.8021 10.8021 10.8199 10.8199 13.2227 13.2227 14.2247 14.2247 14.4314 14.4314 14.7888 14.7888 14.9191 14.9191 k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0084 -23.0084 -15.4233 -15.4233 -15.3409 -15.3409 -15.3238 -15.3238 -15.2905 -15.2905 0.4434 0.4434 2.5851 2.5851 4.4019 4.4019 9.3102 9.3102 10.0042 10.0042 10.0403 10.0403 10.1280 10.1280 10.5253 10.5253 10.5520 10.5520 10.8021 10.8021 10.8199 10.8199 13.2227 13.2227 14.2247 14.2247 14.4314 14.4314 14.7888 14.7888 14.9191 14.9191 k =-0.0227 0.0058-0.0000 ( 3725 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0085 -23.0085 -15.4233 -15.4233 -15.3409 -15.3409 -15.3238 -15.3238 -15.2906 -15.2906 0.4450 0.4450 2.5782 2.5782 4.4101 4.4101 9.3106 9.3106 9.9747 9.9747 10.0393 10.0393 10.1263 10.1263 10.5339 10.5339 10.5710 10.5710 10.8035 10.8035 10.8199 10.8199 13.2209 13.2209 14.2287 14.2287 14.4307 14.4307 14.7868 14.7869 14.9189 14.9189 k =-0.0455 0.0116-0.0000 ( 3727 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0085 -23.0085 -15.4231 -15.4231 -15.3410 -15.3410 -15.3238 -15.3238 -15.2907 -15.2907 0.4498 0.4498 2.5579 2.5579 4.4344 4.4344 9.3118 9.3118 9.8975 9.8975 10.0366 10.0366 10.1251 10.1251 10.5334 10.5334 10.6381 10.6381 10.8069 10.8069 10.8212 10.8212 13.2154 13.2154 14.2412 14.2412 14.4285 14.4285 14.7812 14.7812 14.9180 14.9180 k =-0.0682 0.0174-0.0000 ( 3727 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0309 -23.0309 -23.0085 -23.0085 -15.4229 -15.4229 -15.3412 -15.3412 -15.3237 -15.3237 -15.2909 -15.2909 0.4578 0.4578 2.5252 2.5252 4.4737 4.4737 9.3136 9.3136 9.7936 9.7936 10.0325 10.0325 10.1266 10.1266 10.5274 10.5274 10.7230 10.7230 10.8094 10.8094 10.8306 10.8306 13.2062 13.2062 14.2633 14.2633 14.4251 14.4251 14.7720 14.7720 14.9151 14.9151 k =-0.0909 0.0232-0.0000 ( 3723 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0308 -23.0308 -23.0086 -23.0086 -15.4225 -15.4225 -15.3414 -15.3414 -15.3236 -15.3236 -15.2910 -15.2910 0.4689 0.4689 2.4817 2.4817 4.5263 4.5263 9.3152 9.3152 9.6772 9.6772 10.0268 10.0268 10.1299 10.1299 10.5186 10.5186 10.7832 10.7832 10.8153 10.8153 10.8707 10.8707 13.1936 13.1936 14.2964 14.2964 14.4205 14.4205 14.7595 14.7595 14.9089 14.9089 k =-0.1136 0.0290-0.0000 ( 3726 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0307 -23.0307 -23.0086 -23.0086 -15.4221 -15.4221 -15.3416 -15.3416 -15.3236 -15.3236 -15.2913 -15.2913 0.4833 0.4833 2.4291 2.4291 4.5904 4.5904 9.3147 9.3147 9.5566 9.5566 10.0199 10.0199 10.1348 10.1348 10.5076 10.5076 10.7902 10.7902 10.8313 10.8313 10.9562 10.9562 13.1782 13.1782 14.3415 14.3415 14.4149 14.4149 14.7441 14.7441 14.8985 14.8985 k =-0.1364 0.0348-0.0000 ( 3728 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0307 -23.0307 -23.0087 -23.0087 -15.4217 -15.4217 -15.3419 -15.3419 -15.3235 -15.3235 -15.2916 -15.2916 0.5008 0.5008 2.3692 2.3692 4.6642 4.6642 9.3029 9.3029 9.4442 9.4442 10.0120 10.0120 10.1411 10.1411 10.4951 10.4951 10.7849 10.7849 10.8476 10.8476 11.0521 11.0521 13.1612 13.1612 14.3981 14.3981 14.4097 14.4097 14.7262 14.7262 14.8843 14.8843 k =-0.1591 0.0406-0.0000 ( 3728 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0306 -23.0306 -23.0088 -23.0088 -15.4211 -15.4211 -15.3423 -15.3423 -15.3234 -15.3234 -15.2919 -15.2919 0.5214 0.5214 2.3037 2.3037 4.7459 4.7459 9.2415 9.2415 9.3800 9.3800 10.0032 10.0032 10.1485 10.1485 10.4814 10.4814 10.7769 10.7769 10.8646 10.8646 11.1460 11.1460 13.1444 13.1444 14.4012 14.4012 14.4693 14.4693 14.7068 14.7068 14.8673 14.8673 k =-0.1818 0.0464-0.0000 ( 3732 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0306 -23.0306 -23.0089 -23.0089 -15.4205 -15.4205 -15.3427 -15.3427 -15.3234 -15.3234 -15.2923 -15.2923 0.5451 0.5451 2.2339 2.2339 4.8340 4.8340 9.1271 9.1271 9.3684 9.3684 9.9939 9.9939 10.1569 10.1569 10.4670 10.4670 10.7674 10.7674 10.8825 10.8825 11.2342 11.2342 13.1302 13.1302 14.3939 14.3939 14.5472 14.5472 14.6891 14.6891 14.8487 14.8487 k =-0.2045 0.0522-0.0000 ( 3732 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0305 -23.0305 -23.0089 -23.0089 -15.4198 -15.4198 -15.3431 -15.3431 -15.3233 -15.3233 -15.2927 -15.2927 0.5719 0.5719 2.1610 2.1610 4.9270 4.9270 8.9995 8.9995 9.3706 9.3706 9.9842 9.9842 10.1663 10.1663 10.4524 10.4524 10.7568 10.7568 10.9011 10.9011 11.3145 11.3145 13.1207 13.1207 14.3864 14.3864 14.6100 14.6100 14.6957 14.6957 14.8299 14.8299 k =-0.2273 0.0580-0.0000 ( 3732 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0304 -23.0304 -23.0090 -23.0090 -15.4190 -15.4190 -15.3435 -15.3435 -15.3232 -15.3232 -15.2931 -15.2931 0.6017 0.6017 2.0860 2.0860 5.0237 5.0237 8.8692 8.8692 9.3764 9.3764 9.9744 9.9744 10.1766 10.1766 10.4380 10.4380 10.7454 10.7454 10.9201 10.9201 11.3854 11.3854 13.1183 13.1183 14.3788 14.3788 14.6098 14.6098 14.7644 14.7644 14.8208 14.8208 k =-0.2500 0.0638-0.0000 ( 3720 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0302 -23.0302 -23.0091 -23.0091 -15.4182 -15.4182 -15.3440 -15.3440 -15.3231 -15.3231 -15.2935 -15.2935 0.6344 0.6344 2.0097 2.0097 5.1228 5.1228 8.7392 8.7392 9.3836 9.3836 9.9647 9.9647 10.1876 10.1876 10.4242 10.4242 10.7332 10.7332 10.9393 10.9393 11.4457 11.4457 13.1250 13.1250 14.3714 14.3714 14.5877 14.5877 14.7770 14.7770 14.8980 14.8980 k =-0.2727 0.0696-0.0000 ( 3712 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0300 -23.0300 -23.0091 -23.0091 -15.4173 -15.4173 -15.3445 -15.3445 -15.3229 -15.3229 -15.2939 -15.2939 0.6701 0.6701 1.9328 1.9328 5.2233 5.2233 8.6110 8.6110 9.3914 9.3914 9.9553 9.9553 10.1990 10.1990 10.4112 10.4112 10.7205 10.7205 10.9582 10.9582 11.4948 11.4948 13.1418 13.1418 14.3642 14.3642 14.5620 14.5620 14.7592 14.7592 15.0152 15.0152 k =-0.2955 0.0754-0.0000 ( 3702 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0299 -23.0299 -23.0092 -23.0092 -15.4165 -15.4165 -15.3449 -15.3449 -15.3228 -15.3228 -15.2943 -15.2943 0.7085 0.7085 1.8558 1.8558 5.3238 5.3238 8.4857 8.4857 9.3993 9.3993 9.9463 9.9463 10.2109 10.2109 10.3993 10.3993 10.7075 10.7075 10.9766 10.9766 11.5326 11.5326 13.1692 13.1692 14.3575 14.3575 14.5360 14.5360 14.7399 14.7399 15.0690 15.0690 k =-0.3182 0.0812-0.0000 ( 3698 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0298 -23.0298 -23.0092 -23.0092 -15.4157 -15.4157 -15.3454 -15.3454 -15.3227 -15.3227 -15.2946 -15.2946 0.7497 0.7497 1.7794 1.7794 5.4231 5.4231 8.3645 8.3645 9.4071 9.4071 9.9379 9.9379 10.2228 10.2228 10.3888 10.3888 10.6945 10.6945 10.9941 10.9941 11.5598 11.5598 13.2065 13.2065 14.3512 14.3512 14.5107 14.5107 14.7213 14.7213 15.0789 15.0789 k =-0.3409 0.0871-0.0000 ( 3698 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0296 -23.0296 -23.0094 -23.0094 -15.4149 -15.4149 -15.3459 -15.3459 -15.3226 -15.3226 -15.2951 -15.2951 0.7935 0.7935 1.7039 1.7039 5.5198 5.5198 8.2488 8.2488 9.4144 9.4144 9.9302 9.9302 10.2347 10.2347 10.3796 10.3796 10.6817 10.6817 11.0104 11.0104 11.5778 11.5778 13.2522 13.2522 14.3454 14.3454 14.4869 14.4869 14.7041 14.7041 15.0872 15.0872 k =-0.3636 0.0929-0.0000 ( 3702 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0296 -23.0296 -23.0095 -23.0095 -15.4142 -15.4142 -15.3463 -15.3463 -15.3225 -15.3225 -15.2954 -15.2954 0.8397 0.8397 1.6298 1.6298 5.6120 5.6120 8.1402 8.1402 9.4211 9.4211 9.9233 9.9233 10.2461 10.2461 10.3719 10.3719 10.6694 10.6694 11.0252 11.0252 11.5883 11.5883 13.3036 13.3036 14.3404 14.3404 14.4654 14.4654 14.6888 14.6888 15.0943 15.0943 k =-0.3864 0.0987-0.0000 ( 3696 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0294 -23.0294 -23.0095 -23.0095 -15.4135 -15.4135 -15.3467 -15.3467 -15.3224 -15.3224 -15.2957 -15.2957 0.8879 0.8879 1.5576 1.5576 5.6977 5.6977 8.0409 8.0409 9.4270 9.4270 9.9174 9.9174 10.2567 10.2567 10.3655 10.3655 10.6579 10.6579 11.0382 11.0382 11.5932 11.5932 13.3576 13.3576 14.3360 14.3360 14.4465 14.4465 14.6757 14.6757 15.1003 15.1003 k =-0.4091 0.1045-0.0000 ( 3698 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0294 -23.0294 -23.0096 -23.0096 -15.4130 -15.4130 -15.3471 -15.3471 -15.3224 -15.3224 -15.2960 -15.2960 0.9378 0.9378 1.4880 1.4880 5.7743 5.7743 7.9532 7.9532 9.4321 9.4321 9.9124 9.9124 10.2663 10.2663 10.3606 10.3606 10.6478 10.6478 11.0492 11.0492 11.5945 11.5945 13.4105 13.4105 14.3324 14.3324 14.4308 14.4308 14.6650 14.6650 15.1051 15.1051 k =-0.4318 0.1103-0.0000 ( 3692 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0293 -23.0293 -23.0096 -23.0096 -15.4126 -15.4126 -15.3473 -15.3473 -15.3222 -15.3222 -15.2962 -15.2962 0.9882 0.9882 1.4220 1.4220 5.8388 5.8388 7.8801 7.8801 9.4361 9.4361 9.9085 9.9085 10.2743 10.2743 10.3569 10.3569 10.6392 10.6392 11.0580 11.0580 11.5936 11.5936 13.4581 13.4581 14.3295 14.3295 14.4184 14.4184 14.6569 14.6569 15.1090 15.1090 k =-0.4545 0.1161-0.0000 ( 3686 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0292 -23.0292 -23.0097 -23.0097 -15.4122 -15.4122 -15.3476 -15.3476 -15.3222 -15.3222 -15.2964 -15.2964 1.0369 1.0369 1.3622 1.3622 5.8881 5.8881 7.8247 7.8247 9.4390 9.4390 9.9056 9.9056 10.2803 10.2803 10.3543 10.3543 10.6328 10.6328 11.0644 11.0644 11.5920 11.5920 13.4962 13.4962 14.3275 14.3275 14.4096 14.4096 14.6514 14.6514 15.1123 15.1123 k =-0.4773 0.1219-0.0000 ( 3684 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4120 -15.4120 -15.3477 -15.3477 -15.3221 -15.3221 -15.2965 -15.2965 1.0777 1.0777 1.3147 1.3147 5.9192 5.9192 7.7899 7.7899 9.4408 9.4408 9.9039 9.9039 10.2841 10.2841 10.3528 10.3528 10.6287 10.6287 11.0683 11.0683 11.5906 11.5906 13.5209 13.5209 14.3263 14.3263 14.4043 14.4043 14.6483 14.6483 15.1152 15.1152 k =-0.5000 0.1277-0.0000 ( 3686 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4119 -15.4119 -15.3478 -15.3478 -15.3221 -15.3221 -15.2965 -15.2965 1.0956 1.0956 1.2945 1.2945 5.9298 5.9298 7.7780 7.7780 9.4414 9.4414 9.9033 9.9033 10.2854 10.2854 10.3524 10.3524 10.6274 10.6274 11.0696 11.0696 11.5901 11.5901 13.5295 13.5295 14.3259 14.3259 14.4025 14.4025 14.6473 14.6473 15.1165 15.1165 k =-0.5000 0.1277-0.0000 ( 3686 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4119 -15.4119 -15.3478 -15.3478 -15.3221 -15.3221 -15.2965 -15.2965 1.0956 1.0956 1.2945 1.2945 5.9298 5.9298 7.7780 7.7780 9.4414 9.4414 9.9033 9.9033 10.2854 10.2854 10.3524 10.3524 10.6274 10.6274 11.0696 11.0696 11.5901 11.5901 13.5295 13.5295 14.3259 14.3259 14.4025 14.4025 14.6473 14.6473 15.1165 15.1165 k =-0.4942 0.1506-0.0000 ( 3680 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4119 -15.4119 -15.3478 -15.3478 -15.3222 -15.3222 -15.2965 -15.2965 1.0971 1.0971 1.2960 1.2960 5.9315 5.9315 7.7771 7.7771 9.4143 9.4143 9.9210 9.9210 10.2864 10.2864 10.3529 10.3529 10.6265 10.6265 11.0606 11.0606 11.6040 11.6040 13.5359 13.5359 14.2977 14.2977 14.3990 14.3990 14.6602 14.6602 15.0797 15.0797 k =-0.4883 0.1734-0.0000 ( 3682 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0291 -23.0291 -23.0098 -23.0098 -15.4120 -15.4120 -15.3483 -15.3483 -15.3224 -15.3224 -15.2965 -15.2965 1.1015 1.1015 1.3003 1.3003 5.9364 5.9364 7.7744 7.7744 9.3435 9.3435 9.9633 9.9633 10.2895 10.2895 10.3545 10.3545 10.6238 10.6238 11.0366 11.0366 11.6427 11.6427 13.5550 13.5550 14.2393 14.2393 14.3668 14.3668 14.6975 14.6975 14.9950 14.9950 k =-0.4825 0.1963-0.0000 ( 3686 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0292 -23.0292 -23.0100 -23.0100 -15.4121 -15.4121 -15.3489 -15.3489 -15.3228 -15.3228 -15.2966 -15.2966 1.1089 1.1089 1.3075 1.3075 5.9445 5.9445 7.7698 7.7698 9.2456 9.2456 10.0132 10.0132 10.2946 10.2946 10.3571 10.3571 10.6194 10.6194 11.0050 11.0050 11.7000 11.7000 13.5864 13.5864 14.1714 14.1714 14.3028 14.3028 14.7388 14.7388 14.9095 14.9095 k =-0.4766 0.2192-0.0000 ( 3690 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0294 -23.0294 -23.0102 -23.0102 -15.4124 -15.4124 -15.3497 -15.3497 -15.3234 -15.3234 -15.2965 -15.2965 1.1192 1.1192 1.3175 1.3175 5.9559 5.9559 7.7633 7.7633 9.1312 9.1312 10.0590 10.0590 10.3018 10.3018 10.3606 10.3606 10.6133 10.6133 10.9726 10.9726 11.7702 11.7702 13.6292 13.6292 14.1004 14.1004 14.2197 14.2197 14.7146 14.7146 14.8940 14.8940 k =-0.4708 0.2421-0.0000 ( 3694 PWs) bands (ev): -48.6581 -48.6581 -48.6539 -48.6539 -23.0296 -23.0296 -23.0104 -23.0104 -15.4126 -15.4126 -15.3508 -15.3508 -15.3241 -15.3241 -15.2965 -15.2965 1.1324 1.1324 1.3304 1.3304 5.9704 5.9704 7.7548 7.7548 9.0060 9.0060 10.0940 10.0940 10.3114 10.3114 10.3647 10.3647 10.6056 10.6056 10.9453 10.9453 11.8491 11.8491 13.6820 13.6820 14.0276 14.0276 14.1285 14.1285 14.6219 14.6219 14.9119 14.9119 k =-0.4649 0.2650-0.0000 ( 3694 PWs) bands (ev): -48.6580 -48.6580 -48.6539 -48.6539 -23.0299 -23.0299 -23.0106 -23.0106 -15.4130 -15.4130 -15.3522 -15.3522 -15.3249 -15.3249 -15.2965 -15.2965 1.1486 1.1486 1.3460 1.3460 5.9883 5.9883 7.7441 7.7441 8.8731 8.8731 10.1146 10.1146 10.3232 10.3232 10.3690 10.3690 10.5962 10.5962 10.9271 10.9271 11.9343 11.9343 13.7417 13.7417 13.9511 13.9511 14.0396 14.0396 14.5160 14.5160 14.8433 14.8433 k =-0.4591 0.2878-0.0000 ( 3696 PWs) bands (ev): -48.6580 -48.6580 -48.6539 -48.6539 -23.0301 -23.0301 -23.0109 -23.0109 -15.4134 -15.4134 -15.3538 -15.3538 -15.3259 -15.3259 -15.2964 -15.2964 1.1677 1.1677 1.3644 1.3644 6.0092 6.0092 7.7311 7.7311 8.7346 8.7346 10.1196 10.1196 10.3373 10.3373 10.3732 10.3732 10.5852 10.5852 10.9204 10.9204 12.0240 12.0240 13.7953 13.7953 13.8709 13.8709 13.9686 13.9686 14.4092 14.4092 14.7611 14.7611 k =-0.4533 0.3107-0.0000 ( 3702 PWs) bands (ev): -48.6579 -48.6579 -48.6538 -48.6538 -23.0305 -23.0305 -23.0113 -23.0113 -15.4139 -15.4139 -15.3556 -15.3556 -15.3270 -15.3270 -15.2963 -15.2963 1.1897 1.1897 1.3856 1.3856 6.0334 6.0334 7.7156 7.7156 8.5916 8.5916 10.1099 10.1099 10.3533 10.3533 10.3768 10.3768 10.5724 10.5724 10.9254 10.9254 12.1171 12.1171 13.7533 13.7533 13.8377 13.8377 13.9544 13.9544 14.3060 14.3060 14.6729 14.6729 k =-0.4474 0.3336-0.0000 ( 3710 PWs) bands (ev): -48.6579 -48.6579 -48.6538 -48.6538 -23.0309 -23.0309 -23.0116 -23.0116 -15.4146 -15.4146 -15.3577 -15.3577 -15.3282 -15.3282 -15.2961 -15.2961 1.2146 1.2146 1.4093 1.4093 6.0607 6.0607 7.6973 7.6973 8.4455 8.4455 10.0881 10.0881 10.3708 10.3708 10.3794 10.3794 10.5576 10.5576 10.9412 10.9412 12.2126 12.2126 13.6542 13.6542 13.7962 13.7962 14.0072 14.0072 14.2143 14.2143 14.5814 14.5814 k =-0.4416 0.3565-0.0000 ( 3712 PWs) bands (ev): -48.6578 -48.6578 -48.6537 -48.6537 -23.0313 -23.0313 -23.0120 -23.0120 -15.4153 -15.4153 -15.3600 -15.3600 -15.3294 -15.3294 -15.2959 -15.2959 1.2424 1.2424 1.4357 1.4357 6.0911 6.0911 7.6759 7.6759 8.2971 8.2971 10.0573 10.0573 10.3797 10.3797 10.3908 10.3908 10.5410 10.5410 10.9654 10.9654 12.3098 12.3098 13.5511 13.5511 13.7462 13.7462 14.0285 14.0285 14.1802 14.1802 14.4889 14.4889 k =-0.4357 0.3794-0.0000 ( 3716 PWs) bands (ev): -48.6578 -48.6578 -48.6536 -48.6536 -23.0317 -23.0317 -23.0124 -23.0124 -15.4161 -15.4161 -15.3624 -15.3624 -15.3307 -15.3307 -15.2957 -15.2957 1.2731 1.2731 1.4646 1.4646 6.1246 6.1246 7.6507 7.6507 8.1475 8.1475 10.0207 10.0207 10.3782 10.3782 10.4117 10.4117 10.5225 10.5225 10.9960 10.9960 12.4081 12.4081 13.4491 13.4491 13.6978 13.6978 13.9615 13.9615 14.2405 14.2405 14.4023 14.4023 k =-0.4299 0.4022-0.0000 ( 3718 PWs) bands (ev): -48.6577 -48.6577 -48.6536 -48.6536 -23.0322 -23.0322 -23.0130 -23.0130 -15.4170 -15.4170 -15.3651 -15.3651 -15.3320 -15.3320 -15.2955 -15.2955 1.3066 1.3066 1.4960 1.4960 6.1611 6.1611 7.6206 7.6206 7.9984 7.9984 9.9808 9.9808 10.3736 10.3736 10.4342 10.4342 10.5025 10.5025 11.0310 11.0310 12.5069 12.5069 13.3504 13.3504 13.6525 13.6525 13.8732 13.8732 14.2629 14.2629 14.3852 14.3852 k =-0.4240 0.4251-0.0000 ( 3704 PWs) bands (ev): -48.6576 -48.6576 -48.6535 -48.6535 -23.0326 -23.0326 -23.0133 -23.0133 -15.4180 -15.4180 -15.3679 -15.3679 -15.3333 -15.3333 -15.2950 -15.2950 1.3430 1.3430 1.5298 1.5298 6.2005 6.2005 7.5826 7.5826 7.8532 7.8532 9.9396 9.9396 10.3651 10.3651 10.4567 10.4567 10.4827 10.4827 11.0691 11.0691 12.6052 12.6052 13.2569 13.2569 13.6099 13.6099 13.7845 13.7845 14.1860 14.1860 14.4786 14.4786 k =-0.4182 0.4480-0.0000 ( 3704 PWs) bands (ev): -48.6575 -48.6575 -48.6534 -48.6534 -23.0331 -23.0331 -23.0138 -23.0138 -15.4191 -15.4191 -15.3709 -15.3709 -15.3346 -15.3346 -15.2947 -15.2947 1.3821 1.3821 1.5658 1.5658 6.2429 6.2429 7.5279 7.5279 7.7208 7.7208 9.8988 9.8988 10.3520 10.3520 10.4533 10.4533 10.4889 10.4889 11.1094 11.1094 12.7013 12.7013 13.1710 13.1710 13.5690 13.5690 13.7002 13.7002 14.0980 14.0980 14.5910 14.5910 k =-0.4124 0.4709-0.0000 ( 3706 PWs) bands (ev): -48.6574 -48.6574 -48.6533 -48.6533 -23.0335 -23.0335 -23.0143 -23.0143 -15.4204 -15.4204 -15.3741 -15.3741 -15.3359 -15.3359 -15.2943 -15.2943 1.4241 1.4241 1.6040 1.6040 6.2882 6.2882 7.4379 7.4379 7.6205 7.6205 9.8594 9.8594 10.3334 10.3334 10.4296 10.4296 10.5156 10.5156 11.1512 11.1512 12.7899 12.7899 13.0983 13.0983 13.5260 13.5260 13.6250 13.6250 14.0115 14.0115 14.7091 14.7091 k =-0.4065 0.4938-0.0000 ( 3710 PWs) bands (ev): -48.6573 -48.6573 -48.6532 -48.6532 -23.0341 -23.0341 -23.0149 -23.0149 -15.4218 -15.4218 -15.3774 -15.3774 -15.3372 -15.3372 -15.2939 -15.2939 1.4689 1.4689 1.6443 1.6443 6.3362 6.3362 7.3102 7.3102 7.5549 7.5549 9.8223 9.8223 10.3086 10.3086 10.4036 10.4036 10.5449 10.5449 11.1942 11.1942 12.8520 12.8520 13.0582 13.0582 13.4743 13.4743 13.5662 13.5662 13.9291 13.9291 14.8304 14.8304 k =-0.4007 0.5166-0.0000 ( 3714 PWs) bands (ev): -48.6572 -48.6572 -48.6531 -48.6531 -23.0347 -23.0347 -23.0155 -23.0155 -15.4234 -15.4234 -15.3809 -15.3809 -15.3385 -15.3385 -15.2935 -15.2935 1.5164 1.5164 1.6866 1.6866 6.3868 6.3868 7.1650 7.1650 7.5042 7.5042 9.7881 9.7881 10.2769 10.2769 10.3763 10.3763 10.5760 10.5760 11.2380 11.2380 12.8499 12.8499 13.0875 13.0875 13.4117 13.4117 13.5265 13.5265 13.8523 13.8523 14.9538 14.9538 k =-0.3948 0.5395-0.0000 ( 3706 PWs) bands (ev): -48.6571 -48.6571 -48.6530 -48.6530 -23.0352 -23.0352 -23.0160 -23.0160 -15.4250 -15.4250 -15.3844 -15.3844 -15.3396 -15.3396 -15.2930 -15.2930 1.5666 1.5666 1.7307 1.7307 6.4400 6.4400 7.0138 7.0138 7.4575 7.4575 9.7570 9.7570 10.2378 10.2378 10.3480 10.3480 10.6086 10.6086 11.2826 11.2826 12.8044 12.8044 13.1628 13.1628 13.3473 13.3473 13.4994 13.4994 13.7827 13.7827 15.0783 15.0783 k =-0.3890 0.5624-0.0000 ( 3706 PWs) bands (ev): -48.6571 -48.6571 -48.6529 -48.6529 -23.0357 -23.0357 -23.0166 -23.0166 -15.4267 -15.4267 -15.3880 -15.3880 -15.3406 -15.3406 -15.2924 -15.2924 1.6195 1.6195 1.7765 1.7765 6.4950 6.4950 6.8609 6.8609 7.4113 7.4113 9.7291 9.7291 10.1911 10.1911 10.3188 10.3188 10.6425 10.6425 11.3277 11.3277 12.7493 12.7493 13.2266 13.2266 13.3078 13.3078 13.4812 13.4812 13.7215 13.7215 15.2033 15.2033 k =-0.3832 0.5853-0.0000 ( 3718 PWs) bands (ev): -48.6570 -48.6570 -48.6529 -48.6529 -23.0364 -23.0364 -23.0173 -23.0173 -15.4287 -15.4287 -15.3917 -15.3917 -15.3417 -15.3417 -15.2919 -15.2919 1.6750 1.6750 1.8239 1.8239 6.5493 6.5493 6.7105 6.7105 7.3646 7.3646 9.7045 9.7045 10.1368 10.1368 10.2891 10.2891 10.6778 10.6778 11.3734 11.3734 12.6937 12.6937 13.1938 13.1938 13.3629 13.3629 13.4765 13.4765 13.6704 13.6704 15.3281 15.3281 k =-0.3773 0.6082-0.0000 ( 3722 PWs) bands (ev): -48.6569 -48.6569 -48.6528 -48.6528 -23.0370 -23.0370 -23.0179 -23.0179 -15.4308 -15.4308 -15.3954 -15.3954 -15.3426 -15.3426 -15.2914 -15.2914 1.7331 1.7331 1.8728 1.8728 6.5335 6.5335 6.6326 6.6326 7.3170 7.3170 9.6827 9.6827 10.0755 10.0755 10.2590 10.2590 10.7142 10.7142 11.4195 11.4195 12.6392 12.6392 13.1363 13.1363 13.4049 13.4049 13.5174 13.5174 13.6315 13.6315 15.3807 15.3807 k =-0.3715 0.6310-0.0000 ( 3722 PWs) bands (ev): -48.6568 -48.6568 -48.6527 -48.6527 -23.0376 -23.0376 -23.0185 -23.0185 -15.4329 -15.4329 -15.3991 -15.3991 -15.3435 -15.3435 -15.2908 -15.2908 1.7937 1.7937 1.9230 1.9230 6.3890 6.3890 6.6861 6.6861 7.2687 7.2687 9.6631 9.6631 10.0081 10.0081 10.2288 10.2288 10.7515 10.7515 11.4659 11.4659 12.5857 12.5857 13.0797 13.0797 13.4048 13.4048 13.5865 13.5865 13.6247 13.6247 15.3171 15.3171 k =-0.3656 0.6539-0.0000 ( 3720 PWs) bands (ev): -48.6567 -48.6567 -48.6526 -48.6526 -23.0382 -23.0382 -23.0191 -23.0191 -15.4351 -15.4351 -15.4028 -15.4028 -15.3442 -15.3442 -15.2902 -15.2902 1.8568 1.8568 1.9745 1.9745 6.2369 6.2369 6.7501 6.7501 7.2199 7.2199 9.6443 9.6443 9.9365 9.9365 10.1985 10.1985 10.7897 10.7897 11.5127 11.5127 12.5326 12.5326 13.0266 13.0266 13.3945 13.3945 13.5822 13.5822 13.7169 13.7169 15.2488 15.2488 k =-0.3598 0.6768-0.0000 ( 3712 PWs) bands (ev): -48.6566 -48.6566 -48.6525 -48.6525 -23.0387 -23.0387 -23.0196 -23.0196 -15.4373 -15.4373 -15.4064 -15.4064 -15.3448 -15.3448 -15.2896 -15.2896 1.9220 1.9220 2.0272 2.0272 6.0847 6.0847 6.8171 6.8171 7.1709 7.1709 9.6234 9.6234 9.8643 9.8643 10.1685 10.1685 10.8286 10.8286 11.5597 11.5597 12.4791 12.4791 12.9777 12.9777 13.3812 13.3812 13.5808 13.5808 13.8231 13.8231 15.1784 15.1784 k =-0.3539 0.6997-0.0000 ( 3712 PWs) bands (ev): -48.6565 -48.6565 -48.6524 -48.6524 -23.0393 -23.0393 -23.0201 -23.0201 -15.4396 -15.4396 -15.4100 -15.4100 -15.3454 -15.3454 -15.2890 -15.2890 1.9891 1.9891 2.0811 2.0811 5.9333 5.9333 6.8862 6.8862 7.1221 7.1221 9.5939 9.5939 9.7984 9.7984 10.1389 10.1389 10.8680 10.8680 11.6068 11.6068 12.4249 12.4249 12.9336 12.9336 13.3656 13.3656 13.5909 13.5909 13.9318 13.9318 15.1078 15.1078 k =-0.3481 0.7226-0.0000 ( 3718 PWs) bands (ev): -48.6564 -48.6564 -48.6523 -48.6523 -23.0399 -23.0399 -23.0207 -23.0207 -15.4419 -15.4419 -15.4136 -15.4136 -15.3459 -15.3459 -15.2884 -15.2884 2.0574 2.0574 2.1366 2.1366 5.7830 5.7830 6.9568 6.9568 7.0740 7.0740 9.5462 9.5462 9.7493 9.7493 10.1098 10.1098 10.9077 10.9077 11.6539 11.6539 12.3698 12.3698 12.8944 12.8944 13.3474 13.3474 13.6124 13.6124 14.0414 14.0414 15.0388 15.0388 k =-0.3423 0.7454-0.0000 ( 3714 PWs) bands (ev): -48.6563 -48.6563 -48.6522 -48.6522 -23.0404 -23.0404 -23.0213 -23.0213 -15.4442 -15.4442 -15.4170 -15.4170 -15.3462 -15.3462 -15.2878 -15.2878 2.1258 2.1258 2.1947 2.1947 5.6341 5.6341 7.0194 7.0194 7.0363 7.0363 9.4761 9.4761 9.7220 9.7220 10.0814 10.0814 10.9475 10.9475 11.7009 11.7009 12.3138 12.3138 12.8605 12.8605 13.3257 13.3257 13.6442 13.6442 14.1508 14.1508 14.9733 14.9733 k =-0.3364 0.7683-0.0000 ( 3718 PWs) bands (ev): -48.6562 -48.6562 -48.6521 -48.6521 -23.0409 -23.0409 -23.0219 -23.0219 -15.4465 -15.4465 -15.4204 -15.4204 -15.3466 -15.3466 -15.2872 -15.2872 2.1920 2.1920 2.2573 2.2573 5.4868 5.4868 6.9794 6.9794 7.1036 7.1036 9.3901 9.3901 9.7108 9.7108 10.0539 10.0539 10.9871 10.9871 11.7476 11.7476 12.2571 12.2571 12.8322 12.8322 13.2996 13.2996 13.6849 13.6849 14.2583 14.2583 14.9123 14.9123 k =-0.3306 0.7912-0.0000 ( 3724 PWs) bands (ev): -48.6561 -48.6561 -48.6520 -48.6520 -23.0415 -23.0415 -23.0224 -23.0224 -15.4488 -15.4488 -15.4236 -15.4236 -15.3469 -15.3469 -15.2867 -15.2867 2.2537 2.2537 2.3263 2.3263 5.3413 5.3413 6.9354 6.9354 7.1770 7.1770 9.2956 9.2956 9.7091 9.7091 10.0275 10.0275 11.0265 11.0265 11.7938 11.7938 12.2002 12.2002 12.8097 12.8097 13.2681 13.2681 13.7330 13.7330 14.3607 14.3607 14.8573 14.8573 k =-0.3247 0.8141-0.0000 ( 3728 PWs) bands (ev): -48.6560 -48.6560 -48.6520 -48.6520 -23.0420 -23.0420 -23.0229 -23.0229 -15.4510 -15.4510 -15.4267 -15.4267 -15.3472 -15.3472 -15.2861 -15.2861 2.3105 2.3105 2.4018 2.4018 5.1976 5.1976 6.8935 6.8935 7.2505 7.2505 9.1974 9.1974 9.7132 9.7132 10.0022 10.0022 11.0654 11.0654 11.8393 11.8393 12.1431 12.1431 12.7933 12.7933 13.2304 13.2304 13.7869 13.7869 14.4504 14.4504 14.8110 14.8110 k =-0.3189 0.8370-0.0000 ( 3732 PWs) bands (ev): -48.6560 -48.6560 -48.6519 -48.6519 -23.0424 -23.0424 -23.0235 -23.0235 -15.4531 -15.4531 -15.4297 -15.4297 -15.3474 -15.3474 -15.2856 -15.2856 2.3633 2.3633 2.4825 2.4825 5.0560 5.0560 6.8541 6.8541 7.3228 7.3228 9.0984 9.0984 9.7215 9.7215 9.9783 9.9783 11.1035 11.1035 11.8836 11.8836 12.0864 12.0864 12.7830 12.7830 13.1861 13.1861 13.8447 13.8447 14.5085 14.5085 14.7827 14.7827 k =-0.3130 0.8598-0.0000 ( 3726 PWs) bands (ev): -48.6559 -48.6559 -48.6518 -48.6518 -23.0428 -23.0428 -23.0239 -23.0239 -15.4550 -15.4550 -15.4324 -15.4324 -15.3475 -15.3475 -15.2851 -15.2851 2.4129 2.4129 2.5672 2.5672 4.9166 4.9166 6.8177 6.8177 7.3928 7.3928 9.0010 9.0010 9.7329 9.7329 9.9558 9.9558 11.1408 11.1408 11.9263 11.9263 12.0303 12.0303 12.7791 12.7791 13.1351 13.1351 13.9046 13.9046 14.5121 14.5121 14.7775 14.7775 k =-0.3072 0.8827-0.0000 ( 3718 PWs) bands (ev): -48.6558 -48.6558 -48.6517 -48.6517 -23.0432 -23.0432 -23.0242 -23.0242 -15.4569 -15.4569 -15.4348 -15.4348 -15.3476 -15.3476 -15.2846 -15.2846 2.4596 2.4596 2.6552 2.6552 4.7797 4.7797 6.7848 6.7848 7.4586 7.4586 8.9080 8.9080 9.7468 9.7468 9.9349 9.9349 11.1771 11.1771 11.9632 11.9632 11.9789 11.9789 12.7814 12.7814 13.0776 13.0776 13.9644 13.9644 14.4723 14.4723 14.7765 14.7765 k =-0.3014 0.9056-0.0000 ( 3720 PWs) bands (ev): -48.6557 -48.6557 -48.6517 -48.6517 -23.0435 -23.0435 -23.0247 -23.0247 -15.4587 -15.4587 -15.4372 -15.4372 -15.3477 -15.3477 -15.2841 -15.2841 2.5031 2.5031 2.7461 2.7461 4.6454 4.6454 6.7557 6.7557 7.5176 7.5176 8.8224 8.8224 9.7628 9.7628 9.9158 9.9158 11.2123 11.2123 11.9188 11.9188 12.0073 12.0073 12.7899 12.7899 13.0143 13.0143 14.0217 14.0217 14.4160 14.4160 14.7763 14.7763 k =-0.2955 0.9285-0.0000 ( 3724 PWs) bands (ev): -48.6557 -48.6557 -48.6516 -48.6516 -23.0438 -23.0438 -23.0251 -23.0251 -15.4603 -15.4603 -15.4394 -15.4394 -15.3478 -15.3478 -15.2837 -15.2837 2.5432 2.5432 2.8398 2.8398 4.5140 4.5140 6.7309 6.7309 7.5664 7.5664 8.7481 8.7481 9.7806 9.7806 9.8986 9.8986 11.2464 11.2464 11.8653 11.8653 12.0429 12.0429 12.8037 12.8037 12.9467 12.9467 14.0738 14.0738 14.3578 14.3578 14.7814 14.7814 k =-0.2897 0.9514-0.0000 ( 3724 PWs) bands (ev): -48.6556 -48.6556 -48.6516 -48.6516 -23.0442 -23.0442 -23.0253 -23.0253 -15.4618 -15.4618 -15.4412 -15.4412 -15.3479 -15.3479 -15.2832 -15.2832 2.5794 2.5794 2.9361 2.9361 4.3859 4.3859 6.7106 6.7106 7.6003 7.6003 8.6901 8.6901 9.7997 9.7997 9.8835 9.8835 11.2795 11.2795 11.8127 11.8127 12.0749 12.0749 12.8167 12.8167 12.8815 12.8815 14.1162 14.1162 14.3058 14.3058 14.7932 14.7932 k =-0.2838 0.9742-0.0000 ( 3712 PWs) bands (ev): -48.6556 -48.6556 -48.6515 -48.6515 -23.0444 -23.0444 -23.0254 -23.0254 -15.4630 -15.4630 -15.4427 -15.4427 -15.3480 -15.3480 -15.2828 -15.2828 2.6112 2.6112 3.0349 3.0349 4.2614 4.2614 6.6952 6.6952 7.6146 7.6146 8.6534 8.6534 9.8193 9.8193 9.8713 9.8713 11.3116 11.3116 11.7612 11.7612 12.1027 12.1027 12.7799 12.7799 12.8686 12.8686 14.1414 14.1414 14.2685 14.2685 14.8112 14.8112 k =-0.2780 0.9971-0.0000 ( 3710 PWs) bands (ev): -48.6555 -48.6555 -48.6515 -48.6515 -23.0447 -23.0447 -23.0256 -23.0256 -15.4642 -15.4642 -15.4441 -15.4441 -15.3481 -15.3481 -15.2824 -15.2824 2.6379 2.6379 3.1361 3.1361 4.1411 4.1411 6.6850 6.6850 7.6058 7.6058 8.6417 8.6417 9.8357 9.8357 9.8656 9.8656 11.3429 11.3429 11.7108 11.7108 12.1253 12.1253 12.7041 12.7041 12.8976 12.8976 14.1399 14.1399 14.2554 14.2554 14.8344 14.8344 k =-0.2721 1.0200-0.0000 ( 3710 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0449 -23.0449 -23.0258 -23.0258 -15.4651 -15.4651 -15.4452 -15.4452 -15.3482 -15.3482 -15.2821 -15.2821 2.6587 2.6587 3.2398 3.2398 4.0254 4.0254 6.6804 6.6804 7.5732 7.5732 8.6559 8.6559 9.8387 9.8387 9.8766 9.8766 11.3736 11.3736 11.6616 11.6616 12.1418 12.1418 12.6226 12.6226 12.9361 12.9361 14.1205 14.1205 14.2574 14.2574 14.8618 14.8618 k =-0.2663 1.0429-0.0000 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0259 -23.0259 -15.4661 -15.4661 -15.4460 -15.4460 -15.3483 -15.3483 -15.2818 -15.2818 2.6728 2.6728 3.3457 3.3457 3.9151 3.9151 6.6814 6.6814 7.5196 7.5196 8.6932 8.6932 9.8340 9.8340 9.8984 9.8984 11.4039 11.4039 11.6135 11.6135 12.1514 12.1514 12.5392 12.5392 12.9807 12.9807 14.1001 14.1001 14.2576 14.2576 14.8924 14.8924 k =-0.2663 1.0429-0.0000 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0259 -23.0259 -15.4661 -15.4661 -15.4460 -15.4460 -15.3483 -15.3483 -15.2818 -15.2818 2.6728 2.6728 3.3457 3.3457 3.9151 3.9151 6.6814 6.6814 7.5196 7.5196 8.6932 8.6932 9.8340 9.8340 9.8984 9.8984 11.4039 11.4039 11.6135 11.6135 12.1514 12.1514 12.5392 12.5392 12.9807 12.9807 14.1001 14.1001 14.2576 14.2576 14.8924 14.8924 k =-0.2663 1.0429 0.0233 ( 3720 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0260 -23.0260 -15.4660 -15.4660 -15.4460 -15.4460 -15.3484 -15.3484 -15.2819 -15.2819 2.6737 2.6737 3.3469 3.3469 3.9165 3.9165 6.6831 6.6831 7.5176 7.5176 8.6946 8.6946 9.8302 9.8302 9.8981 9.8981 11.3925 11.3925 11.6111 11.6111 12.1495 12.1495 12.5291 12.5291 12.9865 12.9865 14.1064 14.1064 14.2631 14.2631 14.8854 14.8854 k =-0.2663 1.0429 0.0466 ( 3720 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0452 -23.0452 -23.0261 -23.0261 -15.4659 -15.4659 -15.4460 -15.4460 -15.3487 -15.3487 -15.2823 -15.2823 2.6766 2.6766 3.3506 3.3506 3.9207 3.9207 6.6883 6.6883 7.5116 7.5116 8.6989 8.6989 9.8197 9.8197 9.8966 9.8966 11.3595 11.3595 11.6041 11.6041 12.1430 12.1430 12.4992 12.4992 13.0036 13.0036 14.1252 14.1252 14.2793 14.2793 14.8666 14.8666 k =-0.2663 1.0429 0.0698 ( 3722 PWs) bands (ev): -48.6555 -48.6555 -48.6514 -48.6514 -23.0453 -23.0453 -23.0262 -23.0262 -15.4658 -15.4658 -15.4461 -15.4461 -15.3492 -15.3492 -15.2829 -15.2829 2.6813 2.6813 3.3567 3.3567 3.9278 3.9278 6.6969 6.6969 7.5015 7.5015 8.7060 8.7060 9.8034 9.8034 9.8929 9.8929 11.3081 11.3081 11.5922 11.5922 12.1300 12.1300 12.4513 12.4513 13.0317 13.0317 14.1556 14.1556 14.3057 14.3057 14.8413 14.8413 k =-0.2663 1.0429 0.0931 ( 3721 PWs) bands (ev): -48.6554 -48.6554 -48.6514 -48.6514 -23.0453 -23.0453 -23.0264 -23.0264 -15.4655 -15.4655 -15.4461 -15.4461 -15.3499 -15.3499 -15.2838 -15.2838 2.6878 2.6878 3.3651 3.3651 3.9377 3.9377 6.7089 6.7089 7.4872 7.4872 8.7160 8.7160 9.7827 9.7827 9.8860 9.8860 11.2422 11.2422 11.5750 11.5750 12.1087 12.1087 12.3876 12.3876 13.0698 13.0698 14.1966 14.1966 14.3412 14.3412 14.8144 14.8144 k =-0.2663 1.0429 0.1164 ( 3725 PWs) bands (ev): -48.6554 -48.6554 -48.6514 -48.6514 -23.0455 -23.0455 -23.0267 -23.0267 -15.4653 -15.4653 -15.4462 -15.4462 -15.3509 -15.3509 -15.2849 -15.2849 2.6963 2.6963 3.3760 3.3760 3.9503 3.9503 6.7243 6.7243 7.4686 7.4686 8.7290 8.7290 9.7583 9.7583 9.8753 9.8753 11.1658 11.1658 11.5521 11.5521 12.0783 12.0783 12.3113 12.3113 13.1164 13.1164 14.2467 14.2467 14.3843 14.3843 14.7894 14.7894 k =-0.2663 1.0429 0.1397 ( 3725 PWs) bands (ev): -48.6553 -48.6553 -48.6513 -48.6513 -23.0456 -23.0456 -23.0270 -23.0270 -15.4649 -15.4649 -15.4462 -15.4462 -15.3520 -15.3520 -15.2862 -15.2862 2.7066 2.7066 3.3894 3.3894 3.9658 3.9658 6.7430 6.7430 7.4455 7.4455 8.7449 8.7449 9.7312 9.7312 9.8600 9.8600 11.0826 11.0826 11.5225 11.5225 12.0386 12.0386 12.2254 12.2254 13.1698 13.1698 14.3044 14.3044 14.4330 14.4330 14.7690 14.7690 k =-0.2663 1.0429 0.1630 ( 3719 PWs) bands (ev): -48.6552 -48.6552 -48.6513 -48.6513 -23.0458 -23.0458 -23.0272 -23.0272 -15.4646 -15.4646 -15.4463 -15.4463 -15.3532 -15.3532 -15.2877 -15.2877 2.7188 2.7188 3.4051 3.4051 3.9840 3.9840 6.7651 6.7651 7.4178 7.4178 8.7636 8.7636 9.7020 9.7020 9.8395 9.8395 10.9955 10.9955 11.4853 11.4853 11.9902 11.9902 12.1337 12.1337 13.2283 13.2283 14.3675 14.3675 14.4842 14.4842 14.7563 14.7563 k =-0.2663 1.0429 0.1862 ( 3723 PWs) bands (ev): -48.6552 -48.6552 -48.6513 -48.6513 -23.0460 -23.0460 -23.0276 -23.0276 -15.4642 -15.4642 -15.4464 -15.4464 -15.3547 -15.3547 -15.2895 -15.2895 2.7329 2.7329 3.4231 3.4231 4.0049 4.0049 6.7904 6.7904 7.3854 7.3854 8.7853 8.7853 9.6714 9.6714 9.8134 9.8134 10.9075 10.9075 11.4387 11.4387 11.9339 11.9339 12.0403 12.0403 13.2903 13.2903 14.4333 14.4333 14.5342 14.5342 14.7555 14.7555 k =-0.2663 1.0429 0.2095 ( 3717 PWs) bands (ev): -48.6551 -48.6551 -48.6512 -48.6512 -23.0461 -23.0461 -23.0281 -23.0281 -15.4637 -15.4637 -15.4465 -15.4465 -15.3562 -15.3562 -15.2914 -15.2914 2.7488 2.7488 3.4436 3.4436 4.0286 4.0286 6.8188 6.8188 7.3484 7.3484 8.8097 8.8097 9.6397 9.6397 9.7809 9.7809 10.8208 10.8208 11.3811 11.3811 11.8702 11.8702 11.9495 11.9495 13.3546 13.3546 14.4953 14.4953 14.5807 14.5807 14.7720 14.7720 k =-0.2663 1.0429 0.2328 ( 3722 PWs) bands (ev): -48.6550 -48.6550 -48.6512 -48.6512 -23.0464 -23.0464 -23.0286 -23.0286 -15.4632 -15.4632 -15.4466 -15.4466 -15.3580 -15.3580 -15.2936 -15.2936 2.7666 2.7666 3.4663 3.4663 4.0550 4.0550 6.8503 6.8503 7.3066 7.3066 8.8367 8.8367 9.6070 9.6070 9.7421 9.7421 10.7377 10.7377 11.3105 11.3105 11.8004 11.8004 11.8648 11.8648 13.4202 13.4202 14.5401 14.5401 14.6329 14.6329 14.8073 14.8073 k =-0.2663 1.0429 0.2561 ( 3720 PWs) bands (ev): -48.6549 -48.6549 -48.6511 -48.6511 -23.0466 -23.0466 -23.0291 -23.0291 -15.4627 -15.4627 -15.4468 -15.4468 -15.3598 -15.3598 -15.2959 -15.2959 2.7862 2.7862 3.4914 3.4914 4.0841 4.0841 6.8845 6.8845 7.2603 7.2603 8.8660 8.8660 9.5724 9.5724 9.6975 9.6975 10.6599 10.6599 11.2256 11.2256 11.7280 11.7280 11.7863 11.7863 13.4865 13.4865 14.5615 14.5615 14.6993 14.6993 14.8553 14.8553 k =-0.2663 1.0429 0.2794 ( 3714 PWs) bands (ev): -48.6548 -48.6548 -48.6511 -48.6511 -23.0468 -23.0468 -23.0296 -23.0296 -15.4621 -15.4621 -15.4469 -15.4469 -15.3618 -15.3618 -15.2983 -15.2983 2.8077 2.8077 3.5188 3.5188 4.1158 4.1158 6.9211 6.9211 7.2100 7.2100 8.8972 8.8972 9.5334 9.5334 9.6501 9.6501 10.5887 10.5887 11.1269 11.1269 11.6575 11.6575 11.7114 11.7114 13.5531 13.5531 14.5707 14.5707 14.7738 14.7738 14.9068 14.9068 k =-0.2663 1.0429 0.3026 ( 3708 PWs) bands (ev): -48.6547 -48.6547 -48.6510 -48.6510 -23.0471 -23.0471 -23.0302 -23.0302 -15.4616 -15.4616 -15.4471 -15.4471 -15.3638 -15.3638 -15.3009 -15.3009 2.8311 2.8311 3.5485 3.5485 4.1501 4.1501 6.9587 6.9587 7.1571 7.1571 8.9296 8.9296 9.4843 9.4843 9.6060 9.6060 10.5249 10.5249 11.0160 11.0160 11.5910 11.5910 11.6383 11.6383 13.6198 13.6198 14.5764 14.5764 14.8509 14.8509 14.9544 14.9544 k =-0.2663 1.0429 0.3259 ( 3701 PWs) bands (ev): -48.6545 -48.6545 -48.6509 -48.6509 -23.0473 -23.0473 -23.0308 -23.0308 -15.4610 -15.4610 -15.4473 -15.4473 -15.3659 -15.3659 -15.3036 -15.3036 2.8562 2.8562 3.5804 3.5804 4.1870 4.1870 6.9917 6.9917 7.1073 7.1073 8.9626 8.9626 9.4202 9.4202 9.5717 9.5717 10.4685 10.4685 10.8957 10.8957 11.5282 11.5282 11.5663 11.5663 13.6863 13.6863 14.5824 14.5824 14.9280 14.9280 14.9927 14.9927 k =-0.2663 1.0429 0.3492 ( 3699 PWs) bands (ev): -48.6544 -48.6544 -48.6509 -48.6509 -23.0477 -23.0477 -23.0314 -23.0314 -15.4605 -15.4605 -15.4475 -15.4475 -15.3682 -15.3682 -15.3064 -15.3064 2.8832 2.8832 3.6145 3.6145 4.2264 4.2264 6.9902 6.9902 7.0905 7.0905 8.9949 8.9949 9.3417 9.3417 9.5483 9.5483 10.4190 10.4190 10.7686 10.7686 11.4674 11.4674 11.4960 11.4960 13.7529 13.7529 14.5903 14.5903 14.9995 14.9995 15.0219 15.0219 k =-0.2663 1.0429 0.3725 ( 3703 PWs) bands (ev): -48.6543 -48.6543 -48.6508 -48.6508 -23.0480 -23.0480 -23.0321 -23.0321 -15.4601 -15.4601 -15.4478 -15.4478 -15.3704 -15.3704 -15.3093 -15.3093 2.9120 2.9120 3.6508 3.6508 4.2682 4.2682 6.9386 6.9386 7.1228 7.1228 9.0251 9.0251 9.2528 9.2528 9.5343 9.5343 10.3752 10.3752 10.6375 10.6375 11.4057 11.4057 11.4296 11.4296 13.8193 13.8193 14.6011 14.6011 15.0194 15.0194 15.0845 15.0845 k =-0.2663 1.0429 0.3958 ( 3700 PWs) bands (ev): -48.6541 -48.6541 -48.6508 -48.6508 -23.0483 -23.0483 -23.0328 -23.0328 -15.4597 -15.4597 -15.4481 -15.4481 -15.3726 -15.3726 -15.3123 -15.3123 2.9426 2.9426 3.6892 3.6892 4.3125 4.3125 6.8710 6.8710 7.1699 7.1699 9.0495 9.0495 9.1586 9.1586 9.5290 9.5290 10.3350 10.3350 10.5055 10.5055 11.3404 11.3404 11.3692 11.3692 13.8858 13.8858 14.6149 14.6149 15.0100 15.0100 15.1574 15.1574 k =-0.2663 1.0429 0.4190 ( 3700 PWs) bands (ev): -48.6540 -48.6540 -48.6507 -48.6507 -23.0487 -23.0487 -23.0335 -23.0335 -15.4593 -15.4593 -15.4485 -15.4485 -15.3748 -15.3748 -15.3153 -15.3153 2.9750 2.9750 3.7296 3.7296 4.3592 4.3592 6.7976 6.7976 7.2221 7.2221 9.0334 9.0334 9.0948 9.0948 9.5321 9.5321 10.2908 10.2908 10.3810 10.3810 11.2732 11.2732 11.3131 11.3131 13.9524 13.9524 14.6320 14.6320 14.9842 14.9842 15.2289 15.2289 k =-0.2663 1.0429 0.4423 ( 3703 PWs) bands (ev): -48.6538 -48.6538 -48.6506 -48.6506 -23.0491 -23.0491 -23.0343 -23.0343 -15.4590 -15.4590 -15.4489 -15.4489 -15.3770 -15.3770 -15.3184 -15.3184 3.0091 3.0091 3.7721 3.7721 4.4081 4.4081 6.7205 6.7205 7.2772 7.2772 8.9370 8.9370 9.1016 9.1016 9.5432 9.5432 10.2059 10.2059 10.3015 10.3015 11.2062 11.2062 11.2591 11.2591 14.0192 14.0192 14.6520 14.6520 14.9456 14.9456 15.2982 15.2982 k =-0.2663 1.0429 0.4656 ( 3707 PWs) bands (ev): -48.6537 -48.6537 -48.6506 -48.6506 -23.0494 -23.0494 -23.0351 -23.0351 -15.4589 -15.4589 -15.4494 -15.4494 -15.3791 -15.3791 -15.3215 -15.3215 3.0451 3.0451 3.8166 3.8166 4.4594 4.4594 6.6406 6.6406 7.3343 7.3343 8.8296 8.8296 9.1102 9.1102 9.5613 9.5613 10.0834 10.0834 10.2649 10.2649 11.1406 11.1406 11.2064 11.2064 14.0862 14.0862 14.6739 14.6739 14.8984 14.8984 15.3650 15.3650 k =-0.2663 1.0429 0.4889 ( 3705 PWs) bands (ev): -48.6535 -48.6535 -48.6505 -48.6505 -23.0498 -23.0498 -23.0358 -23.0358 -15.4588 -15.4588 -15.4498 -15.4498 -15.3810 -15.3810 -15.3246 -15.3246 3.0828 3.0828 3.8629 3.8629 4.5127 4.5127 6.5585 6.5585 7.3928 7.3928 8.7203 8.7203 9.1121 9.1121 9.5833 9.5833 9.9600 9.9600 10.2379 10.2379 11.0771 11.0771 11.1548 11.1548 14.1534 14.1534 14.6938 14.6938 14.8494 14.8494 15.4292 15.4292 k =-0.2663 1.0429 0.5122 ( 3699 PWs) bands (ev): -48.6534 -48.6534 -48.6505 -48.6505 -23.0501 -23.0501 -23.0366 -23.0366 -15.4588 -15.4588 -15.4504 -15.4504 -15.3828 -15.3828 -15.3276 -15.3276 3.1223 3.1223 3.9110 3.9110 4.5682 4.5682 6.4747 6.4747 7.4519 7.4519 8.6113 8.6113 9.1057 9.1057 9.6011 9.6011 9.8499 9.8499 10.2141 10.2141 11.0159 11.0159 11.1043 11.1043 14.2207 14.2207 14.6978 14.6978 14.8153 14.8153 15.4908 15.4908 k =-0.2663 1.0429 0.5354 ( 3699 PWs) bands (ev): -48.6532 -48.6532 -48.6504 -48.6504 -23.0504 -23.0504 -23.0374 -23.0374 -15.4589 -15.4589 -15.4510 -15.4510 -15.3845 -15.3845 -15.3307 -15.3307 3.1634 3.1634 3.9607 3.9607 4.6256 4.6256 6.3896 6.3896 7.5103 7.5103 8.5045 8.5045 9.0890 9.0890 9.5915 9.5915 9.7785 9.7785 10.1920 10.1920 10.9576 10.9576 11.0551 11.0551 14.2880 14.2880 14.6643 14.6643 14.8198 14.8198 15.5498 15.5498 k =-0.2663 1.0429 0.5587 ( 3691 PWs) bands (ev): -48.6530 -48.6530 -48.6504 -48.6504 -23.0507 -23.0507 -23.0381 -23.0381 -15.4591 -15.4591 -15.4516 -15.4516 -15.3859 -15.3859 -15.3337 -15.3337 3.2063 3.2063 4.0121 4.0121 4.6848 4.6848 6.3037 6.3037 7.5660 7.5660 8.4022 8.4022 9.0586 9.0586 9.5336 9.5336 9.7698 9.7698 10.1708 10.1708 10.9025 10.9025 11.0077 11.0077 14.3550 14.3550 14.6081 14.6081 14.8501 14.8501 15.6059 15.6059 k =-0.2663 1.0429 0.5820 ( 3697 PWs) bands (ev): -48.6529 -48.6529 -48.6503 -48.6503 -23.0510 -23.0510 -23.0390 -23.0390 -15.4595 -15.4595 -15.4524 -15.4524 -15.3873 -15.3873 -15.3367 -15.3367 3.2509 3.2509 4.0649 4.0649 4.7458 4.7458 6.2174 6.2174 7.6158 7.6158 8.3084 8.3084 9.0098 9.0098 9.4614 9.4614 9.7937 9.7937 10.1502 10.1502 10.8510 10.8510 10.9624 10.9624 14.4202 14.4202 14.5473 14.5473 14.8909 14.8909 15.6593 15.6593 k =-0.2663 1.0429 0.6053 ( 3695 PWs) bands (ev): -48.6527 -48.6527 -48.6503 -48.6503 -23.0513 -23.0513 -23.0398 -23.0398 -15.4600 -15.4600 -15.4532 -15.4532 -15.3883 -15.3883 -15.3396 -15.3396 3.2972 3.2972 4.1189 4.1189 4.8083 4.8083 6.1310 6.1310 7.6533 7.6533 8.2293 8.2293 8.9393 8.9393 9.4014 9.4014 9.8259 9.8259 10.1299 10.1299 10.8034 10.8034 10.9197 10.9197 14.4616 14.4616 14.5095 14.5095 14.9377 14.9377 15.7097 15.7097 k =-0.2663 1.0429 0.6286 ( 3697 PWs) bands (ev): -48.6525 -48.6525 -48.6502 -48.6502 -23.0516 -23.0516 -23.0406 -23.0406 -15.4606 -15.4606 -15.4540 -15.4540 -15.3892 -15.3892 -15.3424 -15.3424 3.3452 3.3452 4.1739 4.1739 4.8722 4.8722 6.0449 6.0449 7.6688 7.6688 8.1750 8.1750 8.8487 8.8487 9.3593 9.3593 9.8581 9.8581 10.1097 10.1097 10.7600 10.7600 10.8801 10.8801 14.4148 14.4148 14.5611 14.5611 14.9890 14.9890 15.7569 15.7569 k =-0.2663 1.0429 0.6518 ( 3695 PWs) bands (ev): -48.6524 -48.6524 -48.6502 -48.6502 -23.0518 -23.0518 -23.0414 -23.0414 -15.4613 -15.4613 -15.4550 -15.4550 -15.3898 -15.3898 -15.3452 -15.3452 3.3947 3.3947 4.2296 4.2296 4.9372 4.9372 5.9597 5.9597 7.6526 7.6526 8.1552 8.1552 8.7439 8.7439 9.3319 9.3319 9.8864 9.8864 10.0898 10.0898 10.7212 10.7212 10.8444 10.8444 14.3595 14.3595 14.6237 14.6237 15.0442 15.0442 15.8009 15.8009 k =-0.2663 1.0429 0.6751 ( 3703 PWs) bands (ev): -48.6522 -48.6522 -48.6501 -48.6501 -23.0521 -23.0521 -23.0423 -23.0423 -15.4621 -15.4621 -15.4560 -15.4560 -15.3902 -15.3902 -15.3479 -15.3479 3.4459 3.4459 4.2857 4.2857 5.0030 5.0030 5.8758 5.8758 7.6048 7.6048 8.1697 8.1697 8.6310 8.6310 9.3146 9.3146 9.9082 9.9082 10.0702 10.0702 10.6872 10.6872 10.8130 10.8130 14.3084 14.3084 14.6849 14.6849 15.1029 15.1029 15.8414 15.8414 k =-0.2663 1.0429 0.6984 ( 3701 PWs) bands (ev): -48.6521 -48.6521 -48.6501 -48.6501 -23.0523 -23.0523 -23.0431 -23.0431 -15.4628 -15.4628 -15.4571 -15.4571 -15.3904 -15.3904 -15.3505 -15.3505 3.4986 3.4986 4.3416 4.3416 5.0693 5.0693 5.7938 5.7938 7.5357 7.5357 8.2070 8.2070 8.5157 8.5157 9.3038 9.3038 9.9214 9.9214 10.0516 10.0516 10.6580 10.6580 10.7864 10.7864 14.2636 14.2636 14.7430 14.7430 15.1647 15.1647 15.8783 15.8783 k =-0.2663 1.0429 0.7217 ( 3703 PWs) bands (ev): -48.6519 -48.6519 -48.6501 -48.6501 -23.0524 -23.0524 -23.0439 -23.0439 -15.4637 -15.4637 -15.4582 -15.4582 -15.3904 -15.3904 -15.3530 -15.3530 3.5529 3.5529 4.3966 4.3966 5.1355 5.1355 5.7145 5.7145 7.4556 7.4556 8.2486 8.2486 8.4089 8.4089 9.2972 9.2972 9.9246 9.9246 10.0342 10.0342 10.6336 10.6336 10.7650 10.7650 14.2260 14.2260 14.7965 14.7965 15.2295 15.2295 15.9117 15.9117 k =-0.2663 1.0429 0.7450 ( 3700 PWs) bands (ev): -48.6517 -48.6517 -48.6501 -48.6501 -23.0525 -23.0525 -23.0446 -23.0446 -15.4645 -15.4645 -15.4594 -15.4594 -15.3902 -15.3902 -15.3554 -15.3554 3.6087 3.6087 4.4498 4.4498 5.2012 5.2012 5.6388 5.6388 7.3717 7.3717 8.2274 8.2274 8.3729 8.3729 9.2935 9.2935 9.9177 9.9177 10.0179 10.0179 10.6137 10.6137 10.7485 10.7485 14.1968 14.1968 14.8435 14.8435 15.2969 15.2969 15.9419 15.9419 k =-0.2663 1.0429 0.7682 ( 3696 PWs) bands (ev): -48.6516 -48.6516 -48.6500 -48.6500 -23.0526 -23.0526 -23.0453 -23.0453 -15.4653 -15.4653 -15.4605 -15.4605 -15.3898 -15.3898 -15.3577 -15.3577 3.6659 3.6659 4.5000 4.5000 5.2654 5.2654 5.5681 5.5681 7.2881 7.2881 8.1248 8.1248 8.4237 8.4237 9.2916 9.2916 9.9026 9.9026 10.0011 10.0011 10.5981 10.5981 10.7365 10.7365 14.1766 14.1766 14.8822 14.8822 15.3668 15.3668 15.9697 15.9697 k =-0.2663 1.0429 0.7915 ( 3692 PWs) bands (ev): -48.6514 -48.6514 -48.6500 -48.6500 -23.0527 -23.0527 -23.0459 -23.0459 -15.4661 -15.4661 -15.4617 -15.4617 -15.3892 -15.3892 -15.3598 -15.3598 3.7245 3.7245 4.5453 4.5453 5.3270 5.3270 5.5043 5.5043 7.2077 7.2077 8.0095 8.0095 8.4914 8.4914 9.2907 9.2907 9.8816 9.8816 9.9827 9.9827 10.5865 10.5865 10.7279 10.7279 14.1659 14.1659 14.9103 14.9103 15.4387 15.4387 15.9961 15.9961 k =-0.2663 1.0429 0.8148 ( 3694 PWs) bands (ev): -48.6513 -48.6513 -48.6500 -48.6500 -23.0527 -23.0527 -23.0467 -23.0467 -15.4669 -15.4669 -15.4628 -15.4628 -15.3885 -15.3885 -15.3620 -15.3620 3.7845 3.7845 4.5833 4.5833 5.3834 5.3834 5.4513 5.4513 7.1327 7.1327 7.8935 7.8935 8.5633 8.5633 9.2902 9.2902 9.8568 9.8568 9.9620 9.9620 10.5786 10.5786 10.7215 10.7215 14.1651 14.1651 14.9260 14.9260 15.5126 15.5126 16.0225 16.0225 k =-0.2663 1.0429 0.8381 ( 3696 PWs) bands (ev): -48.6512 -48.6512 -48.6500 -48.6500 -23.0527 -23.0527 -23.0473 -23.0473 -15.4676 -15.4676 -15.4639 -15.4639 -15.3877 -15.3877 -15.3641 -15.3641 3.8456 3.8456 4.6110 4.6110 5.3979 5.3979 5.4469 5.4469 7.0655 7.0655 7.7791 7.7791 8.6366 8.6366 9.2895 9.2895 9.8295 9.8295 9.9394 9.9394 10.5741 10.5741 10.7161 10.7161 14.1743 14.1743 14.9278 14.9278 15.5879 15.5879 16.0501 16.0501 k =-0.2663 1.0429 0.8614 ( 3703 PWs) bands (ev): -48.6511 -48.6511 -48.6501 -48.6501 -23.0528 -23.0528 -23.0480 -23.0480 -15.4683 -15.4683 -15.4650 -15.4650 -15.3869 -15.3869 -15.3660 -15.3660 3.9079 3.9079 4.6252 4.6252 5.3725 5.3725 5.4905 5.4905 7.0083 7.0083 7.6674 7.6674 8.7098 8.7098 9.2877 9.2877 9.8006 9.8006 9.9161 9.9161 10.5728 10.5728 10.7106 10.7106 14.1934 14.1934 14.9151 14.9151 15.6642 15.6642 16.0791 16.0791 k =-0.2663 1.0429 0.8846 ( 3703 PWs) bands (ev): -48.6509 -48.6509 -48.6501 -48.6501 -23.0527 -23.0527 -23.0486 -23.0486 -15.4688 -15.4688 -15.4660 -15.4660 -15.3858 -15.3858 -15.3680 -15.3680 3.9712 3.9712 4.6235 4.6235 5.3606 5.3606 5.5284 5.5284 6.9634 6.9634 7.5593 7.5593 8.7821 8.7821 9.2840 9.2840 9.7710 9.7710 9.8932 9.8932 10.5742 10.5742 10.7045 10.7045 14.2220 14.2220 14.8885 14.8885 15.7408 15.7408 16.1090 16.1090 k =-0.2663 1.0429 0.9079 ( 3699 PWs) bands (ev): -48.6508 -48.6508 -48.6501 -48.6501 -23.0525 -23.0525 -23.0491 -23.0491 -15.4692 -15.4692 -15.4668 -15.4668 -15.3847 -15.3847 -15.3698 -15.3698 4.0354 4.0354 4.6057 4.6057 5.3649 5.3649 5.5562 5.5562 6.9332 6.9332 7.4555 7.4555 8.8525 8.8525 9.2772 9.2772 9.7417 9.7417 9.8719 9.8719 10.5782 10.5782 10.6973 10.6973 14.2595 14.2595 14.8494 14.8494 15.8165 15.8165 16.1378 16.1378 k =-0.2663 1.0429 0.9312 ( 3695 PWs) bands (ev): -48.6507 -48.6507 -48.6501 -48.6501 -23.0524 -23.0524 -23.0495 -23.0495 -15.4695 -15.4695 -15.4676 -15.4676 -15.3835 -15.3835 -15.3715 -15.3715 4.1001 4.1001 4.5734 4.5734 5.3830 5.3830 5.5719 5.5719 6.9196 6.9196 7.3569 7.3569 8.9203 8.9203 9.2661 9.2661 9.7142 9.7142 9.8533 9.8533 10.5842 10.5842 10.6890 10.6890 14.3051 14.3051 14.8000 14.8000 15.8899 15.8899 16.1626 16.1626 k =-0.2663 1.0429 0.9545 ( 3695 PWs) bands (ev): -48.6506 -48.6506 -48.6502 -48.6502 -23.0522 -23.0522 -23.0500 -23.0500 -15.4698 -15.4698 -15.4682 -15.4682 -15.3823 -15.3823 -15.3732 -15.3732 4.1652 4.1652 4.5297 4.5297 5.4111 5.4111 5.5750 5.5750 6.9234 6.9234 7.2645 7.2645 8.9845 8.9845 9.2493 9.2493 9.6902 9.6902 9.8380 9.8380 10.5915 10.5915 10.6800 10.6800 14.3576 14.3576 14.7427 14.7427 15.9584 15.9584 16.1801 16.1801 k =-0.2663 1.0429 0.9778 ( 3698 PWs) bands (ev): -48.6505 -48.6505 -48.6502 -48.6502 -23.0520 -23.0520 -23.0505 -23.0505 -15.4699 -15.4699 -15.4687 -15.4687 -15.3810 -15.3810 -15.3748 -15.3748 4.2302 4.2302 4.4779 4.4779 5.4449 5.4449 5.5658 5.5658 6.9447 6.9447 7.1796 7.1796 9.0437 9.0437 9.2258 9.2258 9.6714 9.6714 9.8267 9.8267 10.5993 10.5993 10.6710 10.6710 14.4157 14.4157 14.6802 14.6802 16.0184 16.0184 16.1877 16.1877 k =-0.2663 1.0429 1.0010 ( 3694 PWs) bands (ev): -48.6504 -48.6504 -48.6503 -48.6503 -23.0516 -23.0516 -23.0509 -23.0509 -15.4700 -15.4700 -15.4691 -15.4691 -15.3795 -15.3795 -15.3764 -15.3764 4.2944 4.2944 4.4208 4.4208 5.4798 5.4798 5.5465 5.5465 6.9820 6.9820 7.1042 7.1042 9.0956 9.0956 9.1962 9.1962 9.6595 9.6595 9.8198 9.8198 10.6058 10.6058 10.6637 10.6637 14.4775 14.4775 14.6155 14.6155 16.0636 16.0636 16.1858 16.1858 k =-0.2663 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4700 -15.4700 -15.4692 -15.4692 -15.3786 -15.3786 -15.3774 -15.3774 4.3479 4.3479 4.3695 4.3695 5.5043 5.5043 5.5273 5.5273 7.0218 7.0218 7.0516 7.0516 9.1260 9.1260 9.1733 9.1733 9.6554 9.6554 9.8174 9.8174 10.6086 10.6086 10.6608 10.6608 14.5270 14.5270 14.5649 14.5649 16.0821 16.0821 16.1824 16.1824 k =-0.2663 1.0429 1.0243 ( 3700 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0514 -23.0514 -23.0513 -23.0513 -15.4700 -15.4700 -15.4692 -15.4692 -15.3786 -15.3786 -15.3774 -15.3774 4.3479 4.3479 4.3695 4.3695 5.5043 5.5043 5.5273 5.5273 7.0218 7.0218 7.0516 7.0516 9.1260 9.1260 9.1733 9.1733 9.6554 9.6554 9.8174 9.8174 10.6086 10.6086 10.6608 10.6608 14.5270 14.5270 14.5649 14.5649 16.0821 16.0821 16.1824 16.1824 k =-0.2721 1.0200 1.0243 ( 3696 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0512 -23.0512 -23.0511 -23.0511 -15.4694 -15.4694 -15.4687 -15.4687 -15.3785 -15.3785 -15.3774 -15.3774 4.3440 4.3440 4.3679 4.3679 5.4659 5.4659 5.4970 5.4970 7.0537 7.0537 7.0734 7.0734 9.1634 9.1634 9.2039 9.2039 9.6671 9.6671 9.8233 9.8233 10.5958 10.5958 10.6546 10.6546 14.4761 14.4761 14.5108 14.5108 16.1063 16.1063 16.2400 16.2400 k =-0.2780 0.9971 1.0243 ( 3696 PWs) bands (ev): -48.6504 -48.6504 -48.6504 -48.6504 -23.0511 -23.0511 -23.0509 -23.0509 -15.4686 -15.4686 -15.4680 -15.4680 -15.3784 -15.3784 -15.3773 -15.3773 4.3391 4.3391 4.3652 4.3652 5.4186 5.4186 5.4565 5.4565 7.0986 7.0986 7.1097 7.1097 9.2011 9.2011 9.2339 9.2339 9.6802 9.6802 9.8300 9.8300 10.5811 10.5811 10.6466 10.6466 14.4307 14.4307 14.4627 14.4627 16.1160 16.1160 16.2783 16.2783 k =-0.2838 0.9742 1.0243 ( 3696 PWs) bands (ev): -48.6505 -48.6505 -48.6505 -48.6505 -23.0509 -23.0509 -23.0507 -23.0507 -15.4678 -15.4678 -15.4673 -15.4673 -15.3783 -15.3783 -15.3772 -15.3772 4.3332 4.3332 4.3615 4.3615 5.3641 5.3641 5.4073 5.4073 7.1548 7.1548 7.1589 7.1589 9.2391 9.2391 9.2633 9.2633 9.6949 9.6949 9.8376 9.8376 10.5641 10.5641 10.6362 10.6362 14.3921 14.3921 14.4219 14.4219 16.1138 16.1138 16.2973 16.2973 k =-0.2897 0.9514 1.0243 ( 3692 PWs) bands (ev): -48.6505 -48.6505 -48.6505 -48.6505 -23.0506 -23.0506 -23.0504 -23.0504 -15.4667 -15.4667 -15.4663 -15.4663 -15.3782 -15.3782 -15.3771 -15.3771 4.3265 4.3265 4.3567 4.3567 5.3040 5.3040 5.3512 5.3512 7.2193 7.2193 7.2206 7.2206 9.2774 9.2774 9.2920 9.2920 9.7110 9.7110 9.8462 9.8462 10.5445 10.5445 10.6230 10.6230 14.3613 14.3613 14.3896 14.3896 16.1028 16.1028 16.3001 16.3001 k =-0.2955 0.9285 1.0243 ( 3692 PWs) bands (ev): -48.6505 -48.6505 -48.6505 -48.6505 -23.0504 -23.0504 -23.0502 -23.0502 -15.4655 -15.4655 -15.4652 -15.4652 -15.3781 -15.3781 -15.3769 -15.3769 4.3191 4.3191 4.3511 4.3511 5.2398 5.2398 5.2897 5.2897 7.2892 7.2892 7.2946 7.2946 9.3157 9.3157 9.3199 9.3199 9.7287 9.7287 9.8557 9.8557 10.5223 10.5223 10.6069 10.6069 14.3391 14.3391 14.3663 14.3663 16.0859 16.0859 16.2908 16.2908 k =-0.3014 0.9056 1.0243 ( 3700 PWs) bands (ev): -48.6506 -48.6506 -48.6506 -48.6506 -23.0501 -23.0501 -23.0499 -23.0499 -15.4643 -15.4643 -15.4641 -15.4641 -15.3779 -15.3779 -15.3768 -15.3768 4.3111 4.3111 4.3446 4.3446 5.1727 5.1727 5.2242 5.2242 7.3671 7.3671 7.3754 7.3754 9.3471 9.3471 9.3539 9.3539 9.7479 9.7479 9.8663 9.8663 10.4975 10.4975 10.5877 10.5877 14.3257 14.3257 14.3527 14.3527 16.0652 16.0652 16.2721 16.2721 k =-0.3072 0.8827 1.0243 ( 3696 PWs) bands (ev): -48.6507 -48.6507 -48.6507 -48.6507 -23.0498 -23.0498 -23.0495 -23.0495 -15.4629 -15.4629 -15.4627 -15.4627 -15.3777 -15.3777 -15.3766 -15.3766 4.3025 4.3025 4.3373 4.3373 5.1037 5.1037 5.1559 5.1559 7.4517 7.4517 7.4620 7.4620 9.3735 9.3735 9.3918 9.3918 9.7688 9.7688 9.8779 9.8779 10.4704 10.4704 10.5656 10.5656 14.3215 14.3215 14.3489 14.3489 16.0422 16.0422 16.2444 16.2444 k =-0.3130 0.8598 1.0243 ( 3700 PWs) bands (ev): -48.6507 -48.6507 -48.6507 -48.6507 -23.0495 -23.0495 -23.0492 -23.0492 -15.4614 -15.4614 -15.4613 -15.4613 -15.3775 -15.3775 -15.3763 -15.3763 4.2935 4.2935 4.3294 4.3294 5.0337 5.0337 5.0858 5.0858 7.5419 7.5419 7.5534 7.5534 9.3988 9.3988 9.4291 9.4291 9.7910 9.7910 9.8904 9.8904 10.4416 10.4416 10.5409 10.5409 14.3264 14.3264 14.3548 14.3548 16.0176 16.0176 16.2051 16.2051 k =-0.3189 0.8370 1.0243 ( 3696 PWs) bands (ev): -48.6508 -48.6508 -48.6508 -48.6508 -23.0491 -23.0491 -23.0488 -23.0488 -15.4599 -15.4599 -15.4599 -15.4599 -15.3771 -15.3771 -15.3760 -15.3760 4.2841 4.2841 4.3206 4.3206 4.9633 4.9633 5.0148 5.0148 7.6369 7.6369 7.6488 7.6488 9.4230 9.4230 9.4655 9.4655 9.8146 9.8146 9.9035 9.9035 10.4120 10.4120 10.5143 10.5143 14.3402 14.3402 14.3705 14.3705 15.9917 15.9917 16.1517 16.1517 k =-0.3247 0.8141 1.0243 ( 3700 PWs) bands (ev): -48.6509 -48.6509 -48.6509 -48.6509 -23.0487 -23.0487 -23.0484 -23.0484 -15.4584 -15.4584 -15.4583 -15.4583 -15.3767 -15.3767 -15.3756 -15.3756 4.2743 4.2743 4.3112 4.3112 4.8932 4.8932 4.9433 4.9433 7.7358 7.7358 7.7476 7.7476 9.4459 9.4459 9.5005 9.5005 9.8392 9.8392 9.9168 9.9168 10.3828 10.3828 10.4865 10.4865 14.3626 14.3626 14.3953 14.3953 15.9641 15.9641 16.0861 16.0861 k =-0.3306 0.7912 1.0243 ( 3688 PWs) bands (ev): -48.6509 -48.6509 -48.6509 -48.6509 -23.0482 -23.0482 -23.0478 -23.0478 -15.4568 -15.4568 -15.4566 -15.4566 -15.3762 -15.3762 -15.3750 -15.3750 4.2643 4.2643 4.3011 4.3011 4.8239 4.8239 4.8721 4.8721 7.8379 7.8379 7.8491 7.8491 9.4673 9.4673 9.5336 9.5336 9.8643 9.8643 9.9294 9.9294 10.3560 10.3560 10.4589 10.4589 14.3932 14.3932 14.4290 14.4290 15.9335 15.9335 16.0122 16.0122 k =-0.3364 0.7683 1.0243 ( 3684 PWs) bands (ev): -48.6510 -48.6510 -48.6510 -48.6510 -23.0477 -23.0477 -23.0473 -23.0473 -15.4552 -15.4552 -15.4550 -15.4550 -15.3756 -15.3756 -15.3744 -15.3744 4.2540 4.2540 4.2903 4.2903 4.7558 4.7558 4.8015 4.8015 7.9426 7.9426 7.9528 7.9528 9.4870 9.4870 9.5641 9.5641 9.8889 9.8889 9.9401 9.9401 10.3339 10.3339 10.4330 10.4330 14.4313 14.4313 14.4709 14.4709 15.8978 15.8978 15.9327 15.9327 k =-0.3423 0.7454 1.0243 ( 3674 PWs) bands (ev): -48.6511 -48.6511 -48.6511 -48.6511 -23.0472 -23.0472 -23.0468 -23.0468 -15.4535 -15.4535 -15.4534 -15.4534 -15.3749 -15.3749 -15.3736 -15.3736 4.2434 4.2434 4.2786 4.2786 4.6893 4.6893 4.7319 4.7319 8.0493 8.0493 8.0582 8.0582 9.5049 9.5049 9.5913 9.5913 9.9121 9.9121 9.9473 9.9473 10.3194 10.3194 10.4108 10.4108 14.4764 14.4764 14.5203 14.5203 15.8491 15.8491 15.8542 15.8542 k =-0.3481 0.7226 1.0243 ( 3670 PWs) bands (ev): -48.6512 -48.6512 -48.6512 -48.6512 -23.0466 -23.0466 -23.0463 -23.0463 -15.4520 -15.4520 -15.4518 -15.4518 -15.3741 -15.3741 -15.3728 -15.3728 4.2326 4.2326 4.2659 4.2659 4.6248 4.6248 4.6637 4.6637 8.1573 8.1573 8.1647 8.1647 9.5206 9.5206 9.6141 9.6141 9.9322 9.9322 9.9499 9.9499 10.3156 10.3156 10.3949 10.3949 14.5278 14.5278 14.5764 14.5764 15.7620 15.7620 15.8002 15.8002 k =-0.3539 0.6997 1.0243 ( 3670 PWs) bands (ev): -48.6513 -48.6513 -48.6513 -48.6513 -23.0461 -23.0461 -23.0457 -23.0457 -15.4505 -15.4505 -15.4503 -15.4503 -15.3731 -15.3731 -15.3719 -15.3719 4.2216 4.2216 4.2521 4.2521 4.5630 4.5630 4.5971 4.5971 8.2661 8.2661 8.2717 8.2717 9.5340 9.5340 9.6314 9.6314 9.9477 9.9477 9.9479 9.9479 10.3241 10.3241 10.3878 10.3878 14.5849 14.5849 14.6385 14.6385 15.6718 15.6718 15.7349 15.7349 k =-0.3598 0.6768 1.0243 ( 3672 PWs) bands (ev): -48.6514 -48.6514 -48.6514 -48.6514 -23.0456 -23.0456 -23.0452 -23.0452 -15.4491 -15.4491 -15.4489 -15.4489 -15.3721 -15.3721 -15.3709 -15.3709 4.2102 4.2102 4.2365 4.2365 4.5043 4.5043 4.5325 4.5325 8.3750 8.3750 8.3787 8.3787 9.5448 9.5448 9.6419 9.6419 9.9434 9.9434 9.9575 9.9575 10.3451 10.3451 10.3917 10.3917 14.6467 14.6467 14.7057 14.7057 15.5788 15.5788 15.6592 15.6592 k =-0.3656 0.6539 1.0243 ( 3678 PWs) bands (ev): -48.6515 -48.6515 -48.6515 -48.6515 -23.0452 -23.0452 -23.0448 -23.0448 -15.4478 -15.4478 -15.4476 -15.4476 -15.3710 -15.3710 -15.3697 -15.3697 4.1984 4.1984 4.2188 4.2188 4.4496 4.4496 4.4702 4.4702 8.4830 8.4830 8.4847 8.4847 9.5529 9.5529 9.6442 9.6442 9.9395 9.9395 9.9618 9.9618 10.3774 10.3774 10.4077 10.4077 14.7126 14.7126 14.7772 14.7772 15.4832 15.4832 15.5750 15.5750 k =-0.3715 0.6310 1.0243 ( 3682 PWs) bands (ev): -48.6516 -48.6516 -48.6516 -48.6516 -23.0447 -23.0447 -23.0443 -23.0443 -15.4466 -15.4466 -15.4463 -15.4463 -15.3697 -15.3697 -15.3685 -15.3685 4.1858 4.1858 4.1980 4.1980 4.3999 4.3999 4.4107 4.4107 8.5890 8.5890 8.5890 8.5890 9.5581 9.5581 9.6382 9.6382 9.9396 9.9396 9.9623 9.9623 10.4193 10.4193 10.4353 10.4353 14.7816 14.7816 14.8522 14.8522 15.3850 15.3850 15.4841 15.4841 k =-0.3773 0.6082 1.0243 ( 3694 PWs) bands (ev): -48.6517 -48.6517 -48.6517 -48.6517 -23.0442 -23.0442 -23.0438 -23.0438 -15.4455 -15.4455 -15.4452 -15.4452 -15.3684 -15.3684 -15.3671 -15.3671 4.1719 4.1719 4.1731 4.1731 4.3548 4.3548 4.3564 4.3564 8.6902 8.6902 8.6917 8.6917 9.5610 9.5610 9.6250 9.6250 9.9452 9.9452 9.9615 9.9615 10.4692 10.4692 10.4732 10.4732 14.8528 14.8528 14.9295 14.9295 15.2846 15.2846 15.3880 15.3880 k =-0.3832 0.5853 1.0243 ( 3702 PWs) bands (ev): -48.6518 -48.6518 -48.6518 -48.6518 -23.0438 -23.0438 -23.0434 -23.0434 -15.4446 -15.4446 -15.4443 -15.4443 -15.3669 -15.3669 -15.3657 -15.3657 4.1434 4.1434 4.1557 4.1557 4.3036 4.3036 4.3198 4.3198 8.7867 8.7867 8.7891 8.7891 9.5624 9.5624 9.6073 9.6073 9.9565 9.9565 9.9620 9.9620 10.5196 10.5196 10.5257 10.5257 14.9244 14.9244 15.0083 15.0083 15.1832 15.1832 15.2876 15.2876 k =-0.3890 0.5624 1.0243 ( 3694 PWs) bands (ev): -48.6519 -48.6519 -48.6519 -48.6519 -23.0432 -23.0432 -23.0428 -23.0428 -15.4436 -15.4436 -15.4433 -15.4433 -15.3653 -15.3653 -15.3640 -15.3640 4.1093 4.1093 4.1353 4.1353 4.2591 4.2591 4.2901 4.2901 8.8764 8.8764 8.8786 8.8786 9.5642 9.5642 9.5885 9.5885 9.9660 9.9660 9.9732 9.9732 10.5731 10.5731 10.5880 10.5880 14.9866 14.9866 15.0858 15.0858 15.0898 15.0898 15.1856 15.1856 k =-0.3948 0.5395 1.0243 ( 3694 PWs) bands (ev): -48.6519 -48.6519 -48.6519 -48.6519 -23.0427 -23.0427 -23.0423 -23.0423 -15.4428 -15.4428 -15.4425 -15.4425 -15.3636 -15.3636 -15.3623 -15.3623 4.0720 4.0720 4.1085 4.1085 4.2235 4.2235 4.2662 4.2662 8.9563 8.9563 8.9569 8.9569 9.5690 9.5690 9.5727 9.5727 9.9752 9.9752 9.9949 9.9949 10.6326 10.6326 10.6554 10.6554 14.9484 14.9484 15.0690 15.0690 15.0948 15.0948 15.1746 15.1746 k =-0.4007 0.5166 1.0243 ( 3694 PWs) bands (ev): -48.6520 -48.6520 -48.6520 -48.6520 -23.0422 -23.0422 -23.0418 -23.0418 -15.4421 -15.4421 -15.4418 -15.4418 -15.3618 -15.3618 -15.3606 -15.3606 4.0329 4.0329 4.0749 4.0749 4.1976 4.1976 4.2465 4.2465 9.0203 9.0203 9.0225 9.0225 9.5640 9.5640 9.5799 9.5799 9.9909 9.9909 10.0214 10.0214 10.6973 10.6973 10.7275 10.7275 14.8439 14.8439 14.9603 14.9603 15.1636 15.1636 15.2518 15.2518 k =-0.4065 0.4938 1.0243 ( 3706 PWs) bands (ev): -48.6521 -48.6521 -48.6521 -48.6521 -23.0417 -23.0417 -23.0414 -23.0414 -15.4416 -15.4416 -15.4413 -15.4413 -15.3600 -15.3600 -15.3589 -15.3589 3.9936 3.9936 4.0369 4.0369 4.1790 4.1790 4.2298 4.2298 9.0659 9.0659 9.0713 9.0713 9.5662 9.5662 9.5990 9.5990 10.0144 10.0144 10.0530 10.0530 10.7667 10.7667 10.8039 10.8039 14.7319 14.7319 14.8468 14.8468 15.2368 15.2368 15.3299 15.3299 k =-0.4124 0.4709 1.0243 ( 3702 PWs) bands (ev): -48.6522 -48.6522 -48.6522 -48.6522 -23.0412 -23.0412 -23.0409 -23.0409 -15.4411 -15.4411 -15.4408 -15.4408 -15.3581 -15.3581 -15.3570 -15.3570 3.9549 3.9549 3.9972 3.9972 4.1650 4.1650 4.2153 4.2153 9.0930 9.0930 9.1006 9.1006 9.5808 9.5808 9.6257 9.6257 10.0467 10.0467 10.0900 10.0900 10.8404 10.8404 10.8843 10.8843 14.6166 14.6166 14.7304 14.7304 15.3095 15.3095 15.4065 15.4065 k =-0.4182 0.4480 1.0243 ( 3710 PWs) bands (ev): -48.6523 -48.6523 -48.6523 -48.6523 -23.0408 -23.0408 -23.0405 -23.0405 -15.4407 -15.4407 -15.4405 -15.4405 -15.3563 -15.3563 -15.3552 -15.3552 3.9176 3.9176 3.9577 3.9577 4.1539 4.1539 4.2023 4.2023 9.1039 9.1039 9.1118 9.1118 9.6058 9.6058 9.6569 9.6569 10.0885 10.0885 10.1329 10.1329 10.9183 10.9183 10.9686 10.9686 14.4990 14.4990 14.6116 14.6116 15.3804 15.3804 15.4808 15.4808 k =-0.4240 0.4251 1.0243 ( 3700 PWs) bands (ev): -48.6524 -48.6524 -48.6524 -48.6524 -23.0403 -23.0403 -23.0400 -23.0400 -15.4403 -15.4403 -15.4401 -15.4401 -15.3544 -15.3544 -15.3533 -15.3533 3.8821 3.8821 3.9196 3.9196 4.1446 4.1446 4.1905 4.1905 9.1026 9.1026 9.1093 9.1093 9.6367 9.6367 9.6884 9.6884 10.1397 10.1397 10.1816 10.1816 11.0002 11.0002 11.0566 11.0566 14.3794 14.3794 14.4907 14.4907 15.4484 15.4484 15.5521 15.5521 k =-0.4299 0.4022 1.0243 ( 3700 PWs) bands (ev): -48.6525 -48.6525 -48.6525 -48.6525 -23.0399 -23.0399 -23.0396 -23.0396 -15.4401 -15.4401 -15.4399 -15.4399 -15.3525 -15.3525 -15.3516 -15.3516 3.8487 3.8487 3.8834 3.8834 4.1366 4.1366 4.1797 4.1797 9.0931 9.0931 9.0978 9.0978 9.6689 9.6689 9.7173 9.7173 10.1989 10.1989 10.2355 10.2355 11.0860 11.0860 11.1481 11.1481 14.2581 14.2581 14.3680 14.3680 15.5124 15.5124 15.6196 15.6196 k =-0.4357 0.3794 1.0243 ( 3700 PWs) bands (ev): -48.6525 -48.6525 -48.6525 -48.6525 -23.0395 -23.0395 -23.0392 -23.0392 -15.4399 -15.4399 -15.4397 -15.4397 -15.3508 -15.3508 -15.3499 -15.3499 3.8177 3.8177 3.8494 3.8494 4.1297 4.1297 4.1697 4.1697 9.0786 9.0786 9.0812 9.0812 9.6993 9.6993 9.7420 9.7420 10.2636 10.2636 10.2934 10.2934 11.1755 11.1755 11.2430 11.2430 14.1357 14.1357 14.2440 14.2440 15.5706 15.5706 15.6816 15.6816 k =-0.4416 0.3565 1.0243 ( 3704 PWs) bands (ev): -48.6526 -48.6526 -48.6526 -48.6526 -23.0391 -23.0391 -23.0389 -23.0389 -15.4397 -15.4397 -15.4396 -15.4396 -15.3491 -15.3491 -15.3483 -15.3483 3.7891 3.7891 3.8179 3.8179 4.1237 4.1237 4.1605 4.1605 9.0615 9.0615 9.0622 9.0622 9.7262 9.7262 9.7627 9.7627 10.3311 10.3311 10.3536 10.3536 11.2687 11.2687 11.3408 11.3408 14.0124 14.0124 14.1189 14.1189 15.6208 15.6208 15.7349 15.7349 k =-0.4474 0.3336 1.0243 ( 3704 PWs) bands (ev): -48.6527 -48.6527 -48.6527 -48.6527 -23.0388 -23.0388 -23.0385 -23.0385 -15.4396 -15.4396 -15.4395 -15.4395 -15.3475 -15.3475 -15.3467 -15.3467 3.7631 3.7631 3.7890 3.7890 4.1185 4.1185 4.1520 4.1520 9.0425 9.0425 9.0433 9.0433 9.7494 9.7494 9.7797 9.7797 10.3985 10.3985 10.4143 10.4143 11.3653 11.3653 11.4413 11.4413 13.8889 13.8889 13.9934 13.9934 15.6601 15.6601 15.7732 15.7732 k =-0.4533 0.3107 1.0243 ( 3712 PWs) bands (ev): -48.6527 -48.6527 -48.6527 -48.6527 -23.0385 -23.0385 -23.0383 -23.0383 -15.4396 -15.4396 -15.4395 -15.4395 -15.3461 -15.3461 -15.3454 -15.3454 3.7399 3.7399 3.7628 3.7628 4.1142 4.1142 4.1442 4.1442 9.0233 9.0233 9.0251 9.0251 9.7689 9.7689 9.7935 9.7935 10.4635 10.4635 10.4736 10.4736 11.4648 11.4648 11.5436 11.5436 13.7660 13.7660 13.8680 13.8680 15.6851 15.6851 15.7876 15.7876 k =-0.4591 0.2878 1.0243 ( 3720 PWs) bands (ev): -48.6528 -48.6528 -48.6528 -48.6528 -23.0383 -23.0383 -23.0381 -23.0381 -15.4396 -15.4396 -15.4394 -15.4394 -15.3447 -15.3447 -15.3441 -15.3441 3.7193 3.7193 3.7394 3.7394 4.1105 4.1105 4.1370 4.1370 9.0053 9.0053 9.0078 9.0078 9.7851 9.7851 9.8048 9.8048 10.5243 10.5243 10.5298 10.5298 11.5666 11.5666 11.6470 11.6470 13.6446 13.6446 13.7435 13.7435 15.6942 15.6942 15.7767 15.7767 k =-0.4649 0.2650 1.0243 ( 3720 PWs) bands (ev): -48.6528 -48.6528 -48.6528 -48.6528 -23.0380 -23.0380 -23.0379 -23.0379 -15.4396 -15.4396 -15.4394 -15.4394 -15.3435 -15.3435 -15.3430 -15.3430 3.7017 3.7017 3.7188 3.7188 4.1077 4.1077 4.1305 4.1305 8.9890 8.9890 8.9918 8.9918 9.7985 9.7985 9.8140 9.8140 10.5794 10.5794 10.5815 10.5815 11.6695 11.6695 11.7500 11.7500 13.5261 13.5261 13.6211 13.6211 15.6892 15.6892 15.7498 15.7498 k =-0.4708 0.2421 1.0243 ( 3720 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0378 -23.0378 -23.0377 -23.0377 -15.4395 -15.4395 -15.4394 -15.4394 -15.3425 -15.3425 -15.3420 -15.3420 3.6869 3.6869 3.7011 3.7011 4.1056 4.1056 4.1247 4.1247 8.9749 8.9749 8.9777 8.9777 9.8093 9.8093 9.8212 9.8212 10.6274 10.6274 10.6275 10.6275 11.7720 11.7720 11.8504 11.8504 13.4127 13.4127 13.5023 13.5023 15.6750 15.6750 15.7174 15.7174 k =-0.4766 0.2192 1.0243 ( 3732 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0377 -23.0377 -23.0376 -23.0376 -15.4395 -15.4395 -15.4395 -15.4395 -15.3417 -15.3417 -15.3413 -15.3413 3.6749 3.6749 3.6863 3.6863 4.1042 4.1042 4.1196 4.1196 8.9632 8.9632 8.9657 8.9657 9.8179 9.8179 9.8268 9.8268 10.6665 10.6665 10.6678 10.6678 11.8716 11.8716 11.9452 11.9452 13.3075 13.3075 13.3894 13.3894 15.6568 15.6568 15.6857 15.6857 k =-0.4825 0.1963 1.0243 ( 3736 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0376 -23.0376 -23.0375 -23.0375 -15.4396 -15.4396 -15.4395 -15.4395 -15.3410 -15.3410 -15.3407 -15.3407 3.6660 3.6660 3.6745 3.6745 4.1036 4.1036 4.1152 4.1152 8.9540 8.9540 8.9561 8.9561 9.8245 9.8245 9.8309 9.8309 10.6979 10.6979 10.6997 10.6997 11.9647 11.9647 12.0294 12.0294 13.2155 13.2155 13.2859 13.2859 15.6392 15.6392 15.6582 15.6582 k =-0.4883 0.1734 1.0243 ( 3736 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0375 -23.0375 -23.0374 -23.0374 -15.4396 -15.4396 -15.4395 -15.4395 -15.3405 -15.3405 -15.3403 -15.3403 3.6600 3.6600 3.6656 3.6656 4.1037 4.1037 4.1115 4.1115 8.9475 8.9475 8.9489 8.9489 9.8294 9.8294 9.8334 9.8334 10.7211 10.7211 10.7226 10.7226 12.0459 12.0459 12.0957 12.0957 13.1438 13.1438 13.1973 13.1973 15.6253 15.6253 15.6368 15.6368 k =-0.4942 0.1506 1.0243 ( 3732 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0374 -23.0374 -23.0374 -23.0374 -15.4395 -15.4395 -15.4395 -15.4395 -15.3401 -15.3401 -15.3400 -15.3400 3.6569 3.6569 3.6597 3.6597 4.1046 4.1046 4.1084 4.1084 8.9437 8.9437 8.9445 8.9445 9.8326 9.8326 9.8346 9.8346 10.7353 10.7353 10.7362 10.7362 12.1071 12.1071 12.1349 12.1349 13.1018 13.1018 13.1313 13.1313 15.6172 15.6172 15.6226 15.6226 k =-0.5000 0.1277 1.0243 ( 3720 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4395 -15.4395 -15.4395 -15.4395 -15.3399 -15.3399 -15.3399 -15.3399 3.6568 3.6568 3.6568 3.6568 4.1062 4.1062 4.1062 4.1062 8.9427 8.9427 8.9427 8.9427 9.8343 9.8343 9.8343 9.8343 10.7405 10.7405 10.7405 10.7405 12.1390 12.1390 12.1390 12.1390 13.0973 13.0973 13.0973 13.0973 15.6161 15.6161 15.6161 15.6161 k =-0.5000 0.1277 1.0243 ( 3720 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4395 -15.4395 -15.4395 -15.4395 -15.3399 -15.3399 -15.3399 -15.3399 3.6568 3.6568 3.6568 3.6568 4.1062 4.1062 4.1062 4.1062 8.9427 8.9427 8.9427 8.9427 9.8343 9.8343 9.8343 9.8343 10.7405 10.7405 10.7405 10.7405 12.1390 12.1390 12.1390 12.1390 13.0973 13.0973 13.0973 13.0973 15.6161 15.6161 15.6161 15.6161 k =-0.5000 0.1277 1.0010 ( 3718 PWs) bands (ev): -48.6530 -48.6530 -48.6529 -48.6529 -23.0376 -23.0376 -23.0369 -23.0369 -15.4402 -15.4402 -15.4385 -15.4385 -15.3406 -15.3406 -15.3392 -15.3392 3.5618 3.5618 3.7290 3.7290 4.0360 4.0360 4.2027 4.2027 8.8611 8.8611 9.0188 9.0188 9.7875 9.7875 9.8886 9.8886 10.7195 10.7195 10.7642 10.7642 12.0464 12.0464 12.2324 12.2324 13.0036 13.0036 13.1932 13.1932 15.5950 15.5950 15.6308 15.6308 k =-0.5000 0.1277 0.9778 ( 3718 PWs) bands (ev): -48.6531 -48.6531 -48.6528 -48.6528 -23.0379 -23.0379 -23.0365 -23.0365 -15.4407 -15.4407 -15.4372 -15.4372 -15.3413 -15.3413 -15.3386 -15.3386 3.4605 3.4605 3.7363 3.7363 4.0344 4.0344 4.3088 4.3088 8.7766 8.7766 9.0855 9.0855 9.7517 9.7517 9.9479 9.9479 10.7012 10.7012 10.7907 10.7907 11.9549 11.9549 12.3261 12.3261 12.9127 12.9127 13.2911 13.2911 15.5701 15.5701 15.6358 15.6358 k =-0.5000 0.1277 0.9545 ( 3726 PWs) bands (ev): -48.6532 -48.6532 -48.6528 -48.6528 -23.0382 -23.0382 -23.0361 -23.0361 -15.4411 -15.4411 -15.4358 -15.4358 -15.3421 -15.3421 -15.3380 -15.3380 3.3580 3.3580 3.6740 3.6740 4.1059 4.1059 4.4194 4.4194 8.6908 8.6908 9.1372 9.1372 9.7323 9.7323 10.0107 10.0107 10.6855 10.6855 10.8200 10.8200 11.8646 11.8646 12.4192 12.4192 12.8255 12.8255 13.3909 13.3909 15.5431 15.5431 15.6275 15.6275 k =-0.5000 0.1277 0.9312 ( 3722 PWs) bands (ev): -48.6533 -48.6533 -48.6527 -48.6527 -23.0383 -23.0383 -23.0355 -23.0355 -15.4411 -15.4411 -15.4340 -15.4340 -15.3428 -15.3428 -15.3374 -15.3374 3.2560 3.2560 3.5851 3.5851 4.2078 4.2078 4.5327 4.5327 8.6049 8.6049 9.1680 9.1680 9.7350 9.7350 10.0761 10.0761 10.6724 10.6724 10.8522 10.8522 11.7757 11.7757 12.5080 12.5080 12.7455 12.7455 13.4924 13.4924 15.5150 15.5150 15.6028 15.6028 k =-0.5000 0.1277 0.9079 ( 3722 PWs) bands (ev): -48.6534 -48.6534 -48.6527 -48.6527 -23.0385 -23.0385 -23.0350 -23.0350 -15.4409 -15.4409 -15.4320 -15.4320 -15.3435 -15.3435 -15.3368 -15.3368 3.1552 3.1552 3.4886 3.4886 4.3210 4.3210 4.6477 4.6477 8.5198 8.5198 9.1751 9.1751 9.7623 9.7623 10.1433 10.1433 10.6619 10.6619 10.8872 10.8872 11.6883 11.6883 12.5691 12.5691 12.6964 12.6964 13.5955 13.5955 15.4856 15.4856 15.5611 15.5611 k =-0.5000 0.1277 0.8846 ( 3724 PWs) bands (ev): -48.6535 -48.6535 -48.6527 -48.6527 -23.0386 -23.0386 -23.0344 -23.0344 -15.4405 -15.4405 -15.4298 -15.4298 -15.3443 -15.3443 -15.3363 -15.3363 3.0561 3.0561 3.3902 3.3902 4.4400 4.4400 4.7638 4.7638 8.4362 8.4362 9.1610 9.1610 9.8112 9.8112 10.2120 10.2120 10.6539 10.6539 10.9251 10.9251 11.6026 11.6026 12.5376 12.5376 12.7429 12.7429 13.7002 13.7002 15.4514 15.4514 15.5065 15.5065 k =-0.5000 0.1277 0.8614 ( 3720 PWs) bands (ev): -48.6536 -48.6536 -48.6526 -48.6526 -23.0387 -23.0387 -23.0337 -23.0337 -15.4399 -15.4399 -15.4274 -15.4274 -15.3450 -15.3450 -15.3358 -15.3358 2.9589 2.9589 3.2917 3.2917 4.5627 4.5627 4.8805 4.8805 8.3546 8.3546 9.1316 9.1316 9.8755 9.8755 10.2816 10.2816 10.6483 10.6483 10.9659 10.9659 11.5186 11.5186 12.4684 12.4684 12.8303 12.8303 13.8063 13.8063 15.3978 15.3978 15.4551 15.4551 k =-0.5000 0.1277 0.8381 ( 3716 PWs) bands (ev): -48.6538 -48.6538 -48.6526 -48.6526 -23.0386 -23.0386 -23.0331 -23.0331 -15.4391 -15.4391 -15.4247 -15.4247 -15.3457 -15.3457 -15.3352 -15.3352 2.8636 2.8636 3.1943 3.1943 4.6884 4.6884 4.9975 4.9975 8.2757 8.2757 9.0926 9.0926 9.9490 9.9490 10.3518 10.3518 10.6452 10.6452 11.0095 11.0095 11.4366 11.4366 12.3961 12.3961 12.9242 12.9242 13.9138 13.9138 15.3184 15.3184 15.4109 15.4109 k =-0.5000 0.1277 0.8148 ( 3712 PWs) bands (ev): -48.6539 -48.6539 -48.6526 -48.6526 -23.0385 -23.0385 -23.0324 -23.0324 -15.4381 -15.4381 -15.4219 -15.4219 -15.3463 -15.3463 -15.3348 -15.3348 2.7706 2.7706 3.0981 3.0981 4.8166 4.8166 5.1141 5.1141 8.1999 8.1999 9.0478 9.0478 10.0275 10.0275 10.4221 10.4221 10.6444 10.6444 11.0556 11.0556 11.3569 11.3569 12.3259 12.3259 13.0194 13.0194 14.0224 14.0224 15.2262 15.2262 15.3470 15.3470 k =-0.5000 0.1277 0.7915 ( 3708 PWs) bands (ev): -48.6540 -48.6540 -48.6526 -48.6526 -23.0384 -23.0384 -23.0317 -23.0317 -15.4369 -15.4369 -15.4189 -15.4189 -15.3469 -15.3469 -15.3343 -15.3343 2.6797 2.6797 3.0037 3.0037 4.9470 4.9470 5.2300 5.2300 8.1280 8.1280 8.9997 8.9997 10.1075 10.1075 10.4921 10.4921 10.6464 10.6464 11.1034 11.1034 11.2804 11.2804 12.2594 12.2594 13.1146 13.1146 14.1320 14.1320 15.1284 15.1284 15.2547 15.2547 k =-0.5000 0.1277 0.7682 ( 3704 PWs) bands (ev): -48.6542 -48.6542 -48.6526 -48.6526 -23.0382 -23.0382 -23.0309 -23.0309 -15.4356 -15.4356 -15.4158 -15.4158 -15.3475 -15.3475 -15.3339 -15.3339 2.5910 2.5910 2.9111 2.9111 5.0793 5.0793 5.3445 5.3445 8.0606 8.0606 8.9498 8.9498 10.1869 10.1869 10.5603 10.5603 10.6519 10.6519 11.1445 11.1445 11.2156 11.2156 12.1977 12.1977 13.2092 13.2092 14.2424 14.2424 15.0283 15.0283 15.1509 15.1509 k =-0.5000 0.1277 0.7450 ( 3708 PWs) bands (ev): -48.6543 -48.6543 -48.6526 -48.6526 -23.0381 -23.0381 -23.0302 -23.0302 -15.4343 -15.4343 -15.4125 -15.4125 -15.3480 -15.3480 -15.3335 -15.3335 2.5046 2.5046 2.8204 2.8204 5.2136 5.2136 5.4569 5.4569 7.9985 7.9985 8.8992 8.8992 10.2638 10.2638 10.6199 10.6199 10.6676 10.6676 11.1142 11.1142 11.2273 11.2273 12.1418 12.1418 13.3025 13.3025 14.3530 14.3530 14.9285 14.9285 15.0447 15.0447 k =-0.5000 0.1277 0.7217 ( 3708 PWs) bands (ev): -48.6545 -48.6545 -48.6526 -48.6526 -23.0380 -23.0380 -23.0294 -23.0294 -15.4327 -15.4327 -15.4090 -15.4090 -15.3485 -15.3485 -15.3331 -15.3331 2.4206 2.4206 2.7318 2.7318 5.3495 5.3495 5.5664 5.5664 7.9426 7.9426 8.8486 8.8486 10.3363 10.3363 10.6483 10.6483 10.7153 10.7153 11.0464 11.0464 11.2816 11.2816 12.0926 12.0926 13.3942 13.3942 14.4624 14.4624 14.8316 14.8316 14.9395 14.9395 k =-0.5000 0.1277 0.6984 ( 3712 PWs) bands (ev): -48.6547 -48.6547 -48.6527 -48.6527 -23.0378 -23.0378 -23.0285 -23.0285 -15.4312 -15.4312 -15.4054 -15.4054 -15.3488 -15.3488 -15.3328 -15.3328 2.3389 2.3389 2.6454 2.6454 5.4869 5.4869 5.6720 5.6720 7.8940 7.8940 8.7983 8.7983 10.4028 10.4028 10.6611 10.6611 10.7792 10.7792 10.9772 10.9772 11.3424 11.3424 12.0513 12.0513 13.4838 13.4838 14.5639 14.5639 14.7454 14.7454 14.8365 14.8365 k =-0.5000 0.1277 0.6751 ( 3708 PWs) bands (ev): -48.6548 -48.6548 -48.6527 -48.6527 -23.0375 -23.0375 -23.0277 -23.0277 -15.4295 -15.4295 -15.4018 -15.4018 -15.3491 -15.3491 -15.3324 -15.3324 2.2596 2.2596 2.5612 2.5612 5.6256 5.6256 5.7725 5.7725 7.8539 7.8539 8.7487 8.7487 10.4618 10.4618 10.6724 10.6724 10.8444 10.8444 10.9096 10.9096 11.4070 11.4070 12.0190 12.0190 13.5709 13.5709 14.5954 14.5954 14.7298 14.7298 14.7396 14.7396 k =-0.5000 0.1277 0.6518 ( 3708 PWs) bands (ev): -48.6550 -48.6550 -48.6527 -48.6527 -23.0372 -23.0372 -23.0268 -23.0268 -15.4278 -15.4278 -15.3980 -15.3980 -15.3492 -15.3492 -15.3320 -15.3320 2.1827 2.1827 2.4793 2.4793 5.7649 5.7649 5.8670 5.8670 7.8238 7.8238 8.7002 8.7002 10.5117 10.5117 10.6839 10.6839 10.8443 10.8443 10.9084 10.9084 11.4749 11.4749 11.9966 11.9966 13.6549 13.6549 14.5257 14.5257 14.6400 14.6400 14.8258 14.8258 k =-0.5000 0.1277 0.6286 ( 3708 PWs) bands (ev): -48.6551 -48.6551 -48.6528 -48.6528 -23.0369 -23.0369 -23.0260 -23.0260 -15.4261 -15.4261 -15.3942 -15.3942 -15.3493 -15.3493 -15.3316 -15.3316 2.1083 2.1083 2.3998 2.3998 5.9019 5.9019 5.9568 5.9568 7.8053 7.8053 8.6530 8.6530 10.5516 10.5516 10.6945 10.6945 10.7829 10.7829 10.9703 10.9703 11.5459 11.5459 11.9848 11.9848 13.7354 13.7354 14.4445 14.4445 14.5479 14.5479 14.9343 14.9343 k =-0.5000 0.1277 0.6053 ( 3712 PWs) bands (ev): -48.6553 -48.6553 -48.6528 -48.6528 -23.0366 -23.0366 -23.0251 -23.0251 -15.4244 -15.4244 -15.3905 -15.3905 -15.3492 -15.3492 -15.3312 -15.3312 2.0363 2.0363 2.3226 2.3226 6.0124 6.0124 6.0644 6.0644 7.7999 7.7999 8.6074 8.6074 10.5806 10.5806 10.6929 10.6929 10.7367 10.7367 11.0294 11.0294 11.6200 11.6200 11.9840 11.9840 13.8116 13.8116 14.3662 14.3662 14.4605 14.4605 15.0447 15.0447 k =-0.5000 0.1277 0.5820 ( 3718 PWs) bands (ev): -48.6555 -48.6555 -48.6529 -48.6529 -23.0364 -23.0364 -23.0242 -23.0242 -15.4228 -15.4228 -15.3867 -15.3867 -15.3489 -15.3489 -15.3308 -15.3308 1.9669 1.9669 2.2480 2.2480 6.0824 6.0824 6.2019 6.2019 7.8090 7.8090 8.5635 8.5635 10.5982 10.5982 10.6500 10.6500 10.7352 10.7352 11.0852 11.0852 11.6969 11.6969 11.9939 11.9939 13.8825 13.8825 14.2935 14.2935 14.3785 14.3785 15.1536 15.1536 k =-0.5000 0.1277 0.5587 ( 3714 PWs) bands (ev): -48.6556 -48.6556 -48.6529 -48.6529 -23.0360 -23.0360 -23.0233 -23.0233 -15.4212 -15.4212 -15.3829 -15.3829 -15.3485 -15.3485 -15.3302 -15.3302 1.8999 1.8999 2.1758 2.1758 6.1352 6.1352 6.3448 6.3448 7.8336 7.8336 8.5216 8.5216 10.5887 10.5887 10.6128 10.6128 10.7478 10.7478 11.1370 11.1370 11.7765 11.7765 12.0134 12.0134 13.9460 13.9460 14.2288 14.2288 14.3029 14.3029 15.2555 15.2555 k =-0.5000 0.1277 0.5354 ( 3716 PWs) bands (ev): -48.6558 -48.6558 -48.6530 -48.6530 -23.0356 -23.0356 -23.0224 -23.0224 -15.4198 -15.4198 -15.3793 -15.3793 -15.3479 -15.3479 -15.3296 -15.3296 1.8355 1.8355 2.1062 2.1062 6.1743 6.1743 6.4890 6.4890 7.8740 7.8740 8.4822 8.4822 10.5373 10.5373 10.6083 10.6083 10.7629 10.7629 11.1843 11.1843 11.8584 11.8584 12.0411 12.0411 13.9954 13.9954 14.1780 14.1780 14.2350 14.2350 15.3102 15.3102 k =-0.5000 0.1277 0.5122 ( 3718 PWs) bands (ev): -48.6560 -48.6560 -48.6531 -48.6531 -23.0353 -23.0353 -23.0216 -23.0216 -15.4184 -15.4184 -15.3757 -15.3757 -15.3471 -15.3471 -15.3290 -15.3290 1.7736 1.7736 2.0392 2.0392 6.2006 6.2006 6.6335 6.6335 7.9296 7.9296 8.4458 8.4458 10.4849 10.4849 10.5982 10.5982 10.7793 10.7793 11.2264 11.2264 11.9417 11.9417 12.0759 12.0759 14.0112 14.0112 14.1598 14.1598 14.1768 14.1768 15.2979 15.2979 k =-0.5000 0.1277 0.4889 ( 3718 PWs) bands (ev): -48.6562 -48.6562 -48.6531 -48.6531 -23.0349 -23.0349 -23.0207 -23.0207 -15.4171 -15.4171 -15.3723 -15.3723 -15.3461 -15.3461 -15.3281 -15.3281 1.7143 1.7143 1.9748 1.9748 6.2154 6.2154 6.7775 6.7775 7.9990 7.9990 8.4130 8.4130 10.4342 10.4342 10.5817 10.5817 10.7967 10.7967 11.2628 11.2628 12.0236 12.0236 12.1181 12.1181 13.9832 13.9832 14.1287 14.1287 14.1842 14.1842 15.2751 15.2751 k =-0.5000 0.1277 0.4656 ( 3710 PWs) bands (ev): -48.6563 -48.6563 -48.6532 -48.6532 -23.0345 -23.0345 -23.0198 -23.0198 -15.4160 -15.4160 -15.3691 -15.3691 -15.3450 -15.3450 -15.3272 -15.3272 1.6576 1.6576 1.9131 1.9131 6.2201 6.2201 6.9203 6.9203 8.0798 8.0798 8.3853 8.3853 10.3856 10.3856 10.5601 10.5601 10.8148 10.8148 11.2928 11.2928 12.0952 12.0952 12.1740 12.1740 13.9371 13.9371 14.0926 14.0926 14.2244 14.2244 15.2522 15.2522 k =-0.5000 0.1277 0.4423 ( 3698 PWs) bands (ev): -48.6565 -48.6565 -48.6532 -48.6532 -23.0339 -23.0339 -23.0189 -23.0189 -15.4149 -15.4149 -15.3660 -15.3660 -15.3437 -15.3437 -15.3259 -15.3259 1.6035 1.6035 1.8542 1.8542 6.2167 6.2167 7.0608 7.0608 8.1674 8.1674 8.3663 8.3663 10.3393 10.3393 10.5348 10.5348 10.8334 10.8334 11.3161 11.3161 12.1466 12.1466 12.2514 12.2514 13.8879 13.8879 14.0679 14.0679 14.2666 14.2666 15.2307 15.2307 k =-0.5000 0.1277 0.4190 ( 3700 PWs) bands (ev): -48.6566 -48.6566 -48.6533 -48.6533 -23.0336 -23.0336 -23.0180 -23.0180 -15.4141 -15.4141 -15.3633 -15.3633 -15.3423 -15.3423 -15.3246 -15.3246 1.5521 1.5521 1.7980 1.7980 6.2068 6.2068 7.1976 7.1976 8.2475 8.2475 8.3700 8.3700 10.2951 10.2951 10.5070 10.5070 10.8521 10.8521 11.3322 11.3322 12.1827 12.1827 12.3428 12.3428 13.8405 13.8405 14.0541 14.0541 14.3066 14.3066 15.2111 15.2111 k =-0.5000 0.1277 0.3958 ( 3696 PWs) bands (ev): -48.6568 -48.6568 -48.6534 -48.6534 -23.0332 -23.0332 -23.0172 -23.0172 -15.4134 -15.4134 -15.3608 -15.3608 -15.3409 -15.3409 -15.3231 -15.3231 1.5033 1.5033 1.7446 1.7446 6.1920 6.1920 7.3284 7.3284 8.2848 8.2848 8.4316 8.4316 10.2533 10.2533 10.4778 10.4778 10.8709 10.8709 11.3410 11.3410 12.2089 12.2089 12.4411 12.4411 13.7967 13.7967 14.0507 14.0507 14.3433 14.3433 15.1937 15.1937 k =-0.5000 0.1277 0.3725 ( 3698 PWs) bands (ev): -48.6569 -48.6569 -48.6534 -48.6534 -23.0328 -23.0328 -23.0164 -23.0164 -15.4129 -15.4129 -15.3586 -15.3586 -15.3394 -15.3394 -15.3213 -15.3213 1.4572 1.4572 1.6940 1.6940 6.1737 6.1737 7.4501 7.4501 8.2965 8.2965 8.5355 8.5355 10.2138 10.2138 10.4482 10.4482 10.8896 10.8896 11.3425 11.3425 12.2258 12.2258 12.5437 12.5437 13.7575 13.7575 14.0571 14.0571 14.3765 14.3765 15.1785 15.1785 k =-0.5000 0.1277 0.3492 ( 3698 PWs) bands (ev): -48.6570 -48.6570 -48.6535 -48.6535 -23.0325 -23.0325 -23.0157 -23.0157 -15.4124 -15.4124 -15.3566 -15.3566 -15.3379 -15.3379 -15.3194 -15.3194 1.4138 1.4138 1.6464 1.6464 6.1530 6.1530 7.5584 7.5584 8.3141 8.3141 8.6528 8.6528 10.1767 10.1767 10.4188 10.4188 10.9080 10.9080 11.3367 11.3367 12.2329 12.2329 12.6498 12.6498 13.7232 13.7232 14.0723 14.0723 14.4061 14.4061 15.1655 15.1655 k =-0.5000 0.1277 0.3259 ( 3698 PWs) bands (ev): -48.6572 -48.6572 -48.6536 -48.6536 -23.0321 -23.0321 -23.0150 -23.0150 -15.4121 -15.4121 -15.3549 -15.3549 -15.3364 -15.3364 -15.3173 -15.3173 1.3731 1.3731 1.6016 1.6016 6.1309 6.1309 7.6481 7.6481 8.3486 8.3486 8.7761 8.7761 10.1418 10.1418 10.3902 10.3902 10.9260 10.9260 11.3237 11.3237 12.2294 12.2294 12.7588 12.7588 13.6937 13.6937 14.0954 14.0954 14.4323 14.4323 15.1546 15.1546 k =-0.5000 0.1277 0.3026 ( 3694 PWs) bands (ev): -48.6573 -48.6573 -48.6536 -48.6536 -23.0317 -23.0317 -23.0142 -23.0142 -15.4119 -15.4119 -15.3535 -15.3535 -15.3349 -15.3349 -15.3151 -15.3151 1.3351 1.3351 1.5598 1.5598 6.1083 6.1083 7.7155 7.7155 8.4048 8.4048 8.9029 8.9029 10.1094 10.1094 10.3632 10.3632 10.9434 10.9434 11.3039 11.3039 12.2150 12.2150 12.8707 12.8707 13.6688 13.6688 14.1254 14.1254 14.4554 14.4554 15.1457 15.1457 k =-0.5000 0.1277 0.2794 ( 3698 PWs) bands (ev): -48.6574 -48.6574 -48.6537 -48.6537 -23.0314 -23.0314 -23.0136 -23.0136 -15.4117 -15.4117 -15.3523 -15.3523 -15.3334 -15.3334 -15.3129 -15.3129 1.2998 1.2998 1.5209 1.5209 6.0856 6.0856 7.7603 7.7603 8.4829 8.4829 9.0317 9.0317 10.0793 10.0793 10.3381 10.3381 10.9601 10.9601 11.2776 11.2776 12.1897 12.1897 12.9851 12.9851 13.6479 13.6479 14.1611 14.1611 14.4756 14.4756 15.1387 15.1387 k =-0.5000 0.1277 0.2561 ( 3696 PWs) bands (ev): -48.6575 -48.6575 -48.6537 -48.6537 -23.0311 -23.0311 -23.0130 -23.0130 -15.4116 -15.4116 -15.3513 -15.3513 -15.3319 -15.3319 -15.3107 -15.3107 1.2674 1.2674 1.4850 1.4850 6.0634 6.0634 7.7866 7.7866 8.5783 8.5783 9.1615 9.1615 10.0517 10.0517 10.3154 10.3154 10.9760 10.9760 11.2450 11.2450 12.1539 12.1539 13.1017 13.1017 13.6304 13.6304 14.2010 14.2010 14.4934 14.4934 15.1334 15.1334 k =-0.5000 0.1277 0.2328 ( 3702 PWs) bands (ev): -48.6576 -48.6576 -48.6538 -48.6538 -23.0308 -23.0308 -23.0125 -23.0125 -15.4116 -15.4116 -15.3505 -15.3505 -15.3305 -15.3305 -15.3086 -15.3086 1.2377 1.2377 1.4522 1.4522 6.0422 6.0422 7.7997 7.7997 8.6848 8.6848 9.2914 9.2914 10.0264 10.0264 10.2956 10.2956 10.9909 10.9909 11.2064 11.2064 12.1085 12.1085 13.2202 13.2202 13.6156 13.6156 14.2437 14.2437 14.5090 14.5090 15.1297 15.1297 k =-0.5000 0.1277 0.2095 ( 3698 PWs) bands (ev): -48.6577 -48.6577 -48.6538 -48.6538 -23.0305 -23.0305 -23.0120 -23.0120 -15.4116 -15.4116 -15.3498 -15.3498 -15.3291 -15.3291 -15.3065 -15.3065 1.2108 1.2108 1.4224 1.4224 6.0222 6.0222 7.8044 7.8044 8.7967 8.7967 9.4207 9.4207 10.0036 10.0036 10.2792 10.2792 11.0047 11.0047 11.1622 11.1622 12.0547 12.0547 13.3398 13.3398 13.6036 13.6036 14.2877 14.2877 14.5230 14.5231 15.1273 15.1273 k =-0.5000 0.1277 0.1862 ( 3702 PWs) bands (ev): -48.6578 -48.6578 -48.6539 -48.6539 -23.0303 -23.0303 -23.0116 -23.0116 -15.4116 -15.4116 -15.3493 -15.3493 -15.3278 -15.3278 -15.3045 -15.3045 1.1867 1.1867 1.3957 1.3957 6.0037 6.0037 7.8041 7.8041 8.9092 8.9092 9.5485 9.5485 9.9832 9.9832 10.2666 10.2666 11.0174 11.0174 11.1125 11.1125 11.9941 11.9941 13.4574 13.4574 13.5964 13.5964 14.3312 14.3312 14.5361 14.5361 15.1260 15.1260 k =-0.5000 0.1277 0.1630 ( 3702 PWs) bands (ev): -48.6579 -48.6579 -48.6539 -48.6539 -23.0300 -23.0300 -23.0111 -23.0111 -15.4117 -15.4117 -15.3489 -15.3489 -15.3266 -15.3266 -15.3028 -15.3028 1.1654 1.1654 1.3720 1.3720 5.9870 5.9870 7.8010 7.8010 9.0183 9.0183 9.6740 9.6740 9.9655 9.9655 10.2582 10.2582 11.0284 11.0284 11.0580 11.0580 11.9287 11.9287 13.5454 13.5454 13.6210 13.6210 14.3722 14.3722 14.5489 14.5489 15.1255 15.1255 k =-0.5000 0.1277 0.1397 ( 3696 PWs) bands (ev): -48.6580 -48.6580 -48.6539 -48.6539 -23.0298 -23.0298 -23.0108 -23.0108 -15.4117 -15.4117 -15.3485 -15.3485 -15.3254 -15.3254 -15.3012 -15.3012 1.1469 1.1469 1.3515 1.3515 5.9722 5.9722 7.7966 7.7966 9.1206 9.1206 9.7958 9.7958 9.9509 9.9509 10.2544 10.2544 10.9966 10.9966 11.0399 11.0399 11.8608 11.8608 13.5557 13.5557 13.7248 13.7248 14.4080 14.4080 14.5625 14.5625 15.1258 15.1258 k =-0.5000 0.1277 0.1164 ( 3688 PWs) bands (ev): -48.6580 -48.6580 -48.6540 -48.6540 -23.0296 -23.0296 -23.0104 -23.0104 -15.4118 -15.4118 -15.3482 -15.3482 -15.3244 -15.3244 -15.2997 -15.2997 1.1312 1.1312 1.3341 1.3341 5.9595 5.9595 7.7918 7.7918 9.2130 9.2130 9.9047 9.9047 9.9479 9.9479 10.2551 10.2551 10.9321 10.9321 11.0484 11.0484 11.7933 11.7933 13.5502 13.5502 13.8449 13.8449 14.4359 14.4359 14.5782 14.5782 15.1264 15.1264 k =-0.5000 0.1277 0.0931 ( 3684 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0294 -23.0294 -23.0101 -23.0101 -15.4118 -15.4118 -15.3480 -15.3480 -15.3236 -15.3236 -15.2986 -15.2986 1.1184 1.1184 1.3199 1.3199 5.9489 5.9489 7.7873 7.7873 9.2924 9.2924 9.9204 9.9204 10.0358 10.0358 10.2601 10.2601 10.8631 10.8631 11.0558 11.0558 11.7294 11.7294 13.5435 13.5435 13.9650 13.9650 14.4533 14.4533 14.5962 14.5962 15.1273 15.1273 k =-0.5000 0.1277 0.0698 ( 3684 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0293 -23.0293 -23.0099 -23.0099 -15.4118 -15.4118 -15.3479 -15.3479 -15.3230 -15.3230 -15.2977 -15.2977 1.1084 1.1084 1.3088 1.3088 5.9406 5.9406 7.7834 7.7834 9.3565 9.3565 9.9136 9.9136 10.1420 10.1420 10.2679 10.2679 10.7911 10.7911 11.0617 11.0617 11.6732 11.6732 13.5377 13.5377 14.0810 14.0810 14.4584 14.4584 14.6151 14.6151 15.1281 15.1281 k =-0.5000 0.1277 0.0466 ( 3688 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0292 -23.0292 -23.0098 -23.0098 -15.4119 -15.4119 -15.3478 -15.3478 -15.3225 -15.3225 -15.2971 -15.2971 1.1013 1.1013 1.3009 1.3009 5.9347 5.9347 7.7805 7.7805 9.4034 9.4034 9.9080 9.9080 10.2392 10.2392 10.2768 10.2768 10.7192 10.7192 11.0661 11.0661 11.6288 11.6288 13.5332 13.5332 14.1880 14.1880 14.4499 14.4499 14.6317 14.6317 15.1277 15.1277 k =-0.5000 0.1277 0.0233 ( 3684 PWs) bands (ev): -48.6581 -48.6581 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4119 -15.4119 -15.3478 -15.3478 -15.3222 -15.3222 -15.2967 -15.2967 1.0970 1.0970 1.2961 1.2961 5.9311 5.9311 7.7787 7.7787 9.4318 9.4318 9.9045 9.9045 10.2827 10.2827 10.3184 10.3184 10.6563 10.6563 11.0687 11.0687 11.6001 11.6001 13.5304 13.5304 14.2783 14.2783 14.4262 14.4262 14.6432 14.6432 15.1229 15.1229 k =-0.5000 0.1277-0.0000 ( 3686 PWs) bands (ev): -48.6582 -48.6582 -48.6540 -48.6540 -23.0291 -23.0291 -23.0097 -23.0097 -15.4119 -15.4119 -15.3478 -15.3478 -15.3221 -15.3221 -15.2965 -15.2965 1.0956 1.0956 1.2945 1.2945 5.9298 5.9298 7.7780 7.7780 9.4414 9.4414 9.9033 9.9033 10.2854 10.2854 10.3524 10.3524 10.6274 10.6274 11.0696 11.0696 11.5901 11.5901 13.5295 13.5295 14.3259 14.3259 14.4025 14.4025 14.6473 14.6473 15.1165 15.1165 k = 0.0000 0.0000 1.0243 ( 3712 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4370 -15.4370 -15.3425 -15.3425 -15.3425 -15.3425 3.3265 3.3265 3.3265 3.3265 4.7644 4.7644 4.7644 4.7644 7.6052 7.6052 7.6052 7.6052 10.5153 10.5153 10.5153 10.5153 11.1736 11.1736 11.1736 11.1736 12.9602 12.9602 12.9602 12.9602 13.2786 13.2786 13.2786 13.2786 14.8952 14.8952 14.8952 14.8952 k =-0.0227 0.0058 1.0243 ( 3708 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4370 -15.4370 -15.3424 -15.3424 -15.3424 -15.3424 3.3276 3.3276 3.3276 3.3276 4.7613 4.7613 4.7613 4.7613 7.6102 7.6102 7.6102 7.6102 10.5162 10.5162 10.5162 10.5162 11.1690 11.1690 11.1690 11.1690 12.9544 12.9544 12.9544 12.9544 13.2767 13.2767 13.2767 13.2767 14.9028 14.9028 14.9028 14.9028 k =-0.0455 0.0116 1.0243 ( 3708 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4370 -15.4370 -15.4370 -15.4370 -15.3424 -15.3424 -15.3424 -15.3424 3.3306 3.3306 3.3306 3.3306 4.7521 4.7521 4.7521 4.7521 7.6252 7.6252 7.6252 7.6252 10.5189 10.5189 10.5189 10.5189 11.1554 11.1554 11.1554 11.1554 12.9373 12.9373 12.9373 12.9373 13.2712 13.2712 13.2712 13.2712 14.9252 14.9252 14.9252 14.9252 k =-0.0682 0.0174 1.0243 ( 3706 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4371 -15.4371 -15.4371 -15.4371 -15.3423 -15.3423 -15.3423 -15.3423 3.3357 3.3357 3.3357 3.3357 4.7371 4.7371 4.7371 4.7371 7.6498 7.6498 7.6498 7.6498 10.5233 10.5233 10.5233 10.5233 11.1328 11.1328 11.1328 11.1328 12.9099 12.9099 12.9099 12.9099 13.2624 13.2624 13.2624 13.2624 14.9616 14.9616 14.9616 14.9616 k =-0.0909 0.0232 1.0243 ( 3690 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0371 -23.0371 -23.0371 -23.0371 -15.4371 -15.4371 -15.4371 -15.4371 -15.3422 -15.3422 -15.3422 -15.3422 3.3428 3.3428 3.3428 3.3428 4.7165 4.7165 4.7165 4.7165 7.6838 7.6838 7.6838 7.6838 10.5294 10.5294 10.5294 10.5294 11.1013 11.1013 11.1013 11.1013 12.8738 12.8738 12.8738 12.8738 13.2507 13.2507 13.2507 13.2507 15.0105 15.0105 15.0105 15.0105 k =-0.1136 0.0290 1.0243 ( 3690 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0371 -23.0371 -23.0371 -23.0371 -15.4372 -15.4372 -15.4372 -15.4372 -15.3420 -15.3420 -15.3420 -15.3420 3.3519 3.3519 3.3519 3.3519 4.6909 4.6909 4.6909 4.6909 7.7266 7.7266 7.7266 7.7266 10.5372 10.5372 10.5372 10.5372 11.0613 11.0613 11.0613 11.0613 12.8306 12.8306 12.8306 12.8306 13.2369 13.2369 13.2369 13.2369 15.0700 15.0700 15.0700 15.0700 k =-0.1364 0.0348 1.0243 ( 3702 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4373 -15.4373 -15.4373 -15.4373 -15.3420 -15.3420 -15.3420 -15.3420 3.3629 3.3629 3.3629 3.3629 4.6608 4.6608 4.6608 4.6608 7.7775 7.7775 7.7775 7.7775 10.5465 10.5465 10.5465 10.5465 11.0130 11.0130 11.0130 11.0130 12.7819 12.7819 12.7819 12.7819 13.2217 13.2217 13.2217 13.2217 15.1378 15.1378 15.1378 15.1378 k =-0.1591 0.0406 1.0243 ( 3698 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0371 -23.0371 -23.0371 -23.0371 -15.4375 -15.4375 -15.4375 -15.4375 -15.3418 -15.3418 -15.3418 -15.3418 3.3759 3.3759 3.3759 3.3759 4.6269 4.6269 4.6269 4.6269 7.8360 7.8360 7.8360 7.8360 10.5573 10.5573 10.5573 10.5573 10.9569 10.9569 10.9569 10.9569 12.7293 12.7293 12.7293 12.7293 13.2059 13.2059 13.2059 13.2059 15.2108 15.2108 15.2108 15.2108 k =-0.1818 0.0464 1.0243 ( 3690 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0371 -23.0371 -23.0371 -23.0371 -15.4376 -15.4376 -15.4376 -15.4376 -15.3416 -15.3416 -15.3416 -15.3416 3.3907 3.3907 3.3907 3.3907 4.5897 4.5897 4.5897 4.5897 7.9014 7.9014 7.9014 7.9014 10.5693 10.5693 10.5693 10.5693 10.8936 10.8936 10.8936 10.8936 12.6741 12.6741 12.6741 12.6741 13.1902 13.1902 13.1902 13.1902 15.2843 15.2843 15.2843 15.2843 k =-0.2045 0.0522 1.0243 ( 3696 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0371 -23.0371 -23.0371 -23.0371 -15.4378 -15.4378 -15.4378 -15.4378 -15.3414 -15.3414 -15.3414 -15.3414 3.4073 3.4073 3.4073 3.4073 4.5500 4.5500 4.5500 4.5500 7.9728 7.9728 7.9728 7.9728 10.5823 10.5823 10.5823 10.5823 10.8236 10.8236 10.8236 10.8236 12.6176 12.6176 12.6176 12.6176 13.1752 13.1752 13.1752 13.1752 15.3518 15.3518 15.3518 15.3518 k =-0.2273 0.0580 1.0243 ( 3700 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4380 -15.4380 -15.4380 -15.4380 -15.3413 -15.3413 -15.3413 -15.3413 3.4256 3.4256 3.4256 3.4256 4.5082 4.5082 4.5082 4.5082 8.0496 8.0496 8.0496 8.0496 10.5956 10.5956 10.5956 10.5956 10.7483 10.7483 10.7483 10.7483 12.5609 12.5609 12.5609 12.5609 13.1613 13.1613 13.1613 13.1613 15.4082 15.4082 15.4082 15.4082 k =-0.2500 0.0638 1.0243 ( 3704 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4382 -15.4382 -15.4382 -15.4382 -15.3411 -15.3411 -15.3411 -15.3411 3.4454 3.4454 3.4454 3.4454 4.4651 4.4651 4.4651 4.4651 8.1309 8.1309 8.1309 8.1309 10.6061 10.6061 10.6061 10.6061 10.6713 10.6713 10.6713 10.6713 12.5048 12.5048 12.5048 12.5048 13.1489 13.1489 13.1489 13.1489 15.4543 15.4543 15.4543 15.4543 k =-0.2727 0.0696 1.0243 ( 3710 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4384 -15.4384 -15.4384 -15.4384 -15.3410 -15.3410 -15.3410 -15.3410 3.4667 3.4667 3.4667 3.4667 4.4211 4.4211 4.4211 4.4211 8.2161 8.2161 8.2161 8.2161 10.5698 10.5698 10.5698 10.5698 10.6371 10.6371 10.6371 10.6371 12.4503 12.4503 12.4503 12.4503 13.1379 13.1379 13.1379 13.1379 15.4923 15.4923 15.4923 15.4923 k =-0.2955 0.0754 1.0243 ( 3714 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4386 -15.4386 -15.4386 -15.4386 -15.3408 -15.3408 -15.3408 -15.3408 3.4892 3.4892 3.4892 3.4892 4.3770 4.3770 4.3770 4.3770 8.3043 8.3043 8.3043 8.3043 10.4848 10.4848 10.4848 10.4848 10.6485 10.6485 10.6485 10.6485 12.3980 12.3980 12.3980 12.3980 13.1286 13.1286 13.1286 13.1286 15.5237 15.5237 15.5237 15.5237 k =-0.3182 0.0812 1.0243 ( 3710 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4387 -15.4387 -15.4387 -15.4387 -15.3406 -15.3406 -15.3406 -15.3406 3.5127 3.5127 3.5127 3.5127 4.3334 4.3334 4.3334 4.3334 8.3946 8.3946 8.3946 8.3946 10.3937 10.3937 10.3937 10.3937 10.6634 10.6634 10.6634 10.6634 12.3488 12.3488 12.3488 12.3488 13.1207 13.1207 13.1207 13.1207 15.5493 15.5493 15.5493 15.5493 k =-0.3409 0.0871 1.0243 ( 3714 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4389 -15.4389 -15.4389 -15.4389 -15.3405 -15.3405 -15.3405 -15.3405 3.5368 3.5368 3.5368 3.5368 4.2908 4.2908 4.2908 4.2908 8.4858 8.4858 8.4858 8.4858 10.3008 10.3008 10.3008 10.3008 10.6784 10.6784 10.6784 10.6784 12.3033 12.3033 12.3033 12.3033 13.1143 13.1143 13.1143 13.1143 15.5696 15.5696 15.5696 15.5696 k =-0.3636 0.0929 1.0243 ( 3718 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4390 -15.4390 -15.4390 -15.4390 -15.3403 -15.3403 -15.3403 -15.3403 3.5610 3.5610 3.5610 3.5610 4.2500 4.2500 4.2500 4.2500 8.5767 8.5767 8.5767 8.5767 10.2080 10.2080 10.2080 10.2080 10.6929 10.6929 10.6929 10.6929 12.2622 12.2622 12.2622 12.2622 13.1091 13.1091 13.1091 13.1091 15.5851 15.5851 15.5851 15.5851 k =-0.3864 0.0987 1.0243 ( 3718 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4392 -15.4392 -15.4392 -15.4392 -15.3402 -15.3402 -15.3402 -15.3402 3.5848 3.5848 3.5848 3.5848 4.2120 4.2120 4.2120 4.2120 8.6653 8.6653 8.6653 8.6653 10.1174 10.1174 10.1174 10.1174 10.7062 10.7062 10.7062 10.7062 12.2261 12.2261 12.2261 12.2261 13.1051 13.1051 13.1051 13.1051 15.5966 15.5966 15.5966 15.5966 k =-0.4091 0.1045 1.0243 ( 3720 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4393 -15.4393 -15.4393 -15.4393 -15.3401 -15.3401 -15.3401 -15.3401 3.6071 3.6071 3.6071 3.6071 4.1776 4.1776 4.1776 4.1776 8.7492 8.7492 8.7492 8.7492 10.0317 10.0317 10.0317 10.0317 10.7178 10.7178 10.7178 10.7178 12.1956 12.1956 12.1956 12.1956 13.1021 13.1021 13.1021 13.1021 15.6047 15.6047 15.6047 15.6047 k =-0.4318 0.1103 1.0243 ( 3710 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4393 -15.4393 -15.4393 -15.4393 -15.3400 -15.3400 -15.3400 -15.3400 3.6270 3.6270 3.6270 3.6270 4.1484 4.1484 4.1484 4.1484 8.8246 8.8246 8.8246 8.8246 9.9547 9.9547 9.9547 9.9547 10.7274 10.7274 10.7274 10.7274 12.1712 12.1712 12.1712 12.1712 13.0999 13.0999 13.0999 13.0999 15.6102 15.6102 15.6102 15.6102 k =-0.4545 0.1161 1.0243 ( 3714 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0372 -23.0372 -23.0372 -23.0372 -15.4394 -15.4394 -15.4394 -15.4394 -15.3399 -15.3399 -15.3399 -15.3399 3.6428 3.6428 3.6428 3.6428 4.1257 4.1257 4.1257 4.1257 8.8864 8.8864 8.8864 8.8864 9.8916 9.8916 9.8916 9.8916 10.7345 10.7345 10.7345 10.7345 12.1534 12.1534 12.1534 12.1534 13.0984 13.0984 13.0984 13.0984 15.6136 15.6136 15.6136 15.6136 k =-0.4773 0.1219 1.0243 ( 3718 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4394 -15.4394 -15.4394 -15.4394 -15.3399 -15.3399 -15.3399 -15.3399 3.6532 3.6532 3.6532 3.6532 4.1112 4.1112 4.1112 4.1112 8.9279 8.9279 8.9279 8.9279 9.8494 9.8494 9.8494 9.8494 10.7390 10.7390 10.7390 10.7390 12.1426 12.1426 12.1426 12.1426 13.0975 13.0975 13.0975 13.0975 15.6155 15.6155 15.6155 15.6155 k =-0.5000 0.1277 1.0243 ( 3720 PWs) bands (ev): -48.6529 -48.6529 -48.6529 -48.6529 -23.0373 -23.0373 -23.0373 -23.0373 -15.4395 -15.4395 -15.4395 -15.4395 -15.3399 -15.3399 -15.3399 -15.3399 3.6568 3.6568 3.6568 3.6568 4.1062 4.1062 4.1062 4.1062 8.9427 8.9427 8.9427 8.9427 9.8343 9.8343 9.8343 9.8343 10.7405 10.7405 10.7405 10.7405 12.1390 12.1390 12.1390 12.1390 13.0973 13.0973 13.0973 13.0973 15.6161 15.6161 15.6161 15.6161 Writing output data file HfSi2.save init_run : 0.27s CPU 0.42s WALL ( 1 calls) electrons : 223.62s CPU 226.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 223.61s CPU 226.59s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 428 calls) cegterg : 201.08s CPU 203.48s WALL ( 605 calls) Called by sum_band: Called by *egterg: h_psi : 123.56s CPU 125.37s WALL ( 9636 calls) s_psi : 9.19s CPU 9.52s WALL ( 9636 calls) g_psi : 0.24s CPU 0.26s WALL ( 8603 calls) cdiaghg : 67.59s CPU 68.20s WALL ( 9031 calls) cegterg:over : 6.66s CPU 6.58s WALL ( 8603 calls) cegterg:upda : 5.99s CPU 5.92s WALL ( 8603 calls) cegterg:last : 2.88s CPU 3.03s WALL ( 1628 calls) cdiaghg:chol : 3.87s CPU 3.87s WALL ( 9031 calls) cdiaghg:inve : 2.52s CPU 2.59s WALL ( 9031 calls) cdiaghg:para : 4.09s CPU 4.12s WALL ( 18062 calls) Called by h_psi: h_psi:vloc : 103.32s CPU 104.74s WALL ( 9636 calls) h_psi:vnl : 20.05s CPU 20.38s WALL ( 9636 calls) add_vuspsi : 11.46s CPU 11.40s WALL ( 9636 calls) General routines calbec : 8.57s CPU 8.95s WALL ( 9636 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 97.48s CPU 98.64s WALL ( 997976 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.25s WALL ( 856 calls) Parallel routines fft_scatter : 29.00s CPU 29.36s WALL ( 997999 calls) PWSCF : 4m 1.67s CPU 4m20.44s WALL This run was terminated on: 19: 3:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=