Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:10:26 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: ./SrH2.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 29 20 6 1219 707 114 Max 30 21 7 1226 722 119 Sum 1065 735 225 43975 25721 4177 bravais-lattice index = 14 lattice parameter (alat) = 7.8449 a.u. unit-cell volume = 611.0010 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.844939 celldm(2)= 1.000000 celldm(3)= 1.532990 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.564356 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.564356 0.825532 0.000000 ) a(3) = ( 0.000000 0.000000 1.532990 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.683627 -0.000000 ) b(2) = ( 0.000000 1.211341 -0.000000 ) b(3) = ( 0.000000 0.000000 0.652320 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 H 1.00 1.00790 H( 1.00) Sr 10.00 87.62000 Sr( 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 ) ( -0.7664952 ) 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 ) ( 0.7664952 ) 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= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0061465 0.0116475 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0122931 0.0232950 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0184396 0.0349425 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0245862 0.0465900 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0307327 0.0582375 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0368793 0.0698850 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0430258 0.0815325 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0491724 0.0931801 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0553189 0.1048275 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0614655 0.1164751 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0676120 0.1281226 -0.0000000), wk = 0.0024272 k( 13) = ( 0.0737586 0.1397701 -0.0000000), wk = 0.0024272 k( 14) = ( 0.0799051 0.1514176 -0.0000000), wk = 0.0024272 k( 15) = ( 0.0860516 0.1630651 -0.0000000), wk = 0.0024272 k( 16) = ( 0.0921982 0.1747126 -0.0000000), wk = 0.0024272 k( 17) = ( 0.0983447 0.1863601 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1044913 0.1980076 -0.0000000), wk = 0.0024272 k( 19) = ( 0.1106378 0.2096551 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1167844 0.2213026 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1229309 0.2329501 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1290775 0.2445976 -0.0000000), wk = 0.0024272 k( 23) = ( 0.1352240 0.2562451 -0.0000000), wk = 0.0024272 k( 24) = ( 0.1413706 0.2678926 -0.0000000), wk = 0.0024272 k( 25) = ( 0.1475171 0.2795401 -0.0000000), wk = 0.0024272 k( 26) = ( 0.1536636 0.2911876 -0.0000000), wk = 0.0024272 k( 27) = ( 0.1598102 0.3028352 -0.0000000), wk = 0.0024272 k( 28) = ( 0.1659567 0.3144826 -0.0000000), wk = 0.0024272 k( 29) = ( 0.1721033 0.3261302 -0.0000000), wk = 0.0024272 k( 30) = ( 0.1782498 0.3377777 -0.0000000), wk = 0.0024272 k( 31) = ( 0.1843964 0.3494252 -0.0000000), wk = 0.0024272 k( 32) = ( 0.1905429 0.3610727 -0.0000000), wk = 0.0024272 k( 33) = ( 0.1966895 0.3727202 -0.0000000), wk = 0.0024272 k( 34) = ( 0.2028360 0.3843677 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2089825 0.3960152 -0.0000000), wk = 0.0024272 k( 36) = ( 0.2151291 0.4076627 -0.0000000), wk = 0.0024272 k( 37) = ( 0.2212756 0.4193102 -0.0000000), wk = 0.0024272 k( 38) = ( 0.2274222 0.4309577 -0.0000000), wk = 0.0024272 k( 39) = ( 0.2335687 0.4426052 -0.0000000), wk = 0.0024272 k( 40) = ( 0.2397153 0.4542527 -0.0000000), wk = 0.0024272 k( 41) = ( 0.2458618 0.4659002 -0.0000000), wk = 0.0024272 k( 42) = ( 0.2520084 0.4775477 -0.0000000), wk = 0.0024272 k( 43) = ( 0.2581549 0.4891952 -0.0000000), wk = 0.0024272 k( 44) = ( 0.2643015 0.5008427 -0.0000000), wk = 0.0024272 k( 45) = ( 0.2704480 0.5124903 -0.0000000), wk = 0.0024272 k( 46) = ( 0.2765946 0.5241378 -0.0000000), wk = 0.0024272 k( 47) = ( 0.2827411 0.5357853 -0.0000000), wk = 0.0024272 k( 48) = ( 0.2888876 0.5474328 -0.0000000), wk = 0.0024272 k( 49) = ( 0.2950342 0.5590803 -0.0000000), wk = 0.0024272 k( 50) = ( 0.3011807 0.5707278 -0.0000000), wk = 0.0024272 k( 51) = ( 0.3073273 0.5823753 -0.0000000), wk = 0.0024272 k( 52) = ( 0.3134738 0.5940228 -0.0000000), wk = 0.0024272 k( 53) = ( 0.3196204 0.6056703 -0.0000000), wk = 0.0024272 k( 54) = ( 0.3196204 0.6056703 -0.0000000), wk = 0.0024272 k( 55) = ( 0.3068356 0.6056703 -0.0000000), wk = 0.0024272 k( 56) = ( 0.2940508 0.6056703 -0.0000000), wk = 0.0024272 k( 57) = ( 0.2812659 0.6056703 -0.0000000), wk = 0.0024272 k( 58) = ( 0.2684811 0.6056703 -0.0000000), wk = 0.0024272 k( 59) = ( 0.2556963 0.6056703 -0.0000000), wk = 0.0024272 k( 60) = ( 0.2429115 0.6056703 -0.0000000), wk = 0.0024272 k( 61) = ( 0.2301267 0.6056703 -0.0000000), wk = 0.0024272 k( 62) = ( 0.2173419 0.6056703 -0.0000000), wk = 0.0024272 k( 63) = ( 0.2045570 0.6056703 -0.0000000), wk = 0.0024272 k( 64) = ( 0.1917722 0.6056703 -0.0000000), wk = 0.0024272 k( 65) = ( 0.1789874 0.6056703 -0.0000000), wk = 0.0024272 k( 66) = ( 0.1662026 0.6056703 -0.0000000), wk = 0.0024272 k( 67) = ( 0.1534178 0.6056703 -0.0000000), wk = 0.0024272 k( 68) = ( 0.1406330 0.6056703 -0.0000000), wk = 0.0024272 k( 69) = ( 0.1278481 0.6056703 -0.0000000), wk = 0.0024272 k( 70) = ( 0.1150633 0.6056703 -0.0000000), wk = 0.0024272 k( 71) = ( 0.1022785 0.6056703 -0.0000000), wk = 0.0024272 k( 72) = ( 0.0894937 0.6056703 -0.0000000), wk = 0.0024272 k( 73) = ( 0.0767089 0.6056703 -0.0000000), wk = 0.0024272 k( 74) = ( 0.0639241 0.6056703 -0.0000000), wk = 0.0024272 k( 75) = ( 0.0511393 0.6056703 -0.0000000), wk = 0.0024272 k( 76) = ( 0.0383544 0.6056703 -0.0000000), wk = 0.0024272 k( 77) = ( 0.0255696 0.6056703 -0.0000000), wk = 0.0024272 k( 78) = ( 0.0127848 0.6056703 -0.0000000), wk = 0.0024272 k( 79) = ( 0.0000000 0.6056703 -0.0000000), wk = 0.0024272 k( 80) = ( 0.0000000 0.6056703 -0.0000000), wk = 0.0024272 k( 81) = ( 0.0000000 0.6056703 0.0130464), wk = 0.0024272 k( 82) = ( 0.0000000 0.6056703 0.0260928), wk = 0.0024272 k( 83) = ( 0.0000000 0.6056703 0.0391392), wk = 0.0024272 k( 84) = ( 0.0000000 0.6056703 0.0521856), wk = 0.0024272 k( 85) = ( 0.0000000 0.6056703 0.0652320), wk = 0.0024272 k( 86) = ( 0.0000000 0.6056703 0.0782784), wk = 0.0024272 k( 87) = ( 0.0000000 0.6056703 0.0913248), wk = 0.0024272 k( 88) = ( 0.0000000 0.6056703 0.1043712), wk = 0.0024272 k( 89) = ( 0.0000000 0.6056703 0.1174176), wk = 0.0024272 k( 90) = ( 0.0000000 0.6056703 0.1304640), wk = 0.0024272 k( 91) = ( 0.0000000 0.6056703 0.1435104), wk = 0.0024272 k( 92) = ( 0.0000000 0.6056703 0.1565568), wk = 0.0024272 k( 93) = ( 0.0000000 0.6056703 0.1696032), wk = 0.0024272 k( 94) = ( 0.0000000 0.6056703 0.1826496), wk = 0.0024272 k( 95) = ( 0.0000000 0.6056703 0.1956960), wk = 0.0024272 k( 96) = ( 0.0000000 0.6056703 0.2087423), wk = 0.0024272 k( 97) = ( 0.0000000 0.6056703 0.2217887), wk = 0.0024272 k( 98) = ( 0.0000000 0.6056703 0.2348351), wk = 0.0024272 k( 99) = ( 0.0000000 0.6056703 0.2478815), wk = 0.0024272 k( 100) = ( 0.0000000 0.6056703 0.2609279), wk = 0.0024272 k( 101) = ( 0.0000000 0.6056703 0.2739743), wk = 0.0024272 k( 102) = ( 0.0000000 0.6056703 0.2870207), wk = 0.0024272 k( 103) = ( 0.0000000 0.6056703 0.3000671), wk = 0.0024272 k( 104) = ( 0.0000000 0.6056703 0.3131135), wk = 0.0024272 k( 105) = ( 0.0000000 0.6056703 0.3261599), wk = 0.0024272 k( 106) = ( 0.0000000 0.6056703 0.3261599), wk = 0.0024272 k( 107) = ( 0.0127848 0.6056703 0.3261599), wk = 0.0024272 k( 108) = ( 0.0255696 0.6056703 0.3261599), wk = 0.0024272 k( 109) = ( 0.0383544 0.6056703 0.3261599), wk = 0.0024272 k( 110) = ( 0.0511393 0.6056703 0.3261599), wk = 0.0024272 k( 111) = ( 0.0639241 0.6056703 0.3261599), wk = 0.0024272 k( 112) = ( 0.0767089 0.6056703 0.3261599), wk = 0.0024272 k( 113) = ( 0.0894937 0.6056703 0.3261599), wk = 0.0024272 k( 114) = ( 0.1022785 0.6056703 0.3261599), wk = 0.0024272 k( 115) = ( 0.1150633 0.6056703 0.3261599), wk = 0.0024272 k( 116) = ( 0.1278481 0.6056703 0.3261599), wk = 0.0024272 k( 117) = ( 0.1406330 0.6056703 0.3261599), wk = 0.0024272 k( 118) = ( 0.1534178 0.6056703 0.3261599), wk = 0.0024272 k( 119) = ( 0.1662026 0.6056703 0.3261599), wk = 0.0024272 k( 120) = ( 0.1789874 0.6056703 0.3261599), wk = 0.0024272 k( 121) = ( 0.1917722 0.6056703 0.3261599), wk = 0.0024272 k( 122) = ( 0.2045570 0.6056703 0.3261599), wk = 0.0024272 k( 123) = ( 0.2173419 0.6056703 0.3261599), wk = 0.0024272 k( 124) = ( 0.2301267 0.6056703 0.3261599), wk = 0.0024272 k( 125) = ( 0.2429115 0.6056703 0.3261599), wk = 0.0024272 k( 126) = ( 0.2556963 0.6056703 0.3261599), wk = 0.0024272 k( 127) = ( 0.2684811 0.6056703 0.3261599), wk = 0.0024272 k( 128) = ( 0.2812659 0.6056703 0.3261599), wk = 0.0024272 k( 129) = ( 0.2940508 0.6056703 0.3261599), wk = 0.0024272 k( 130) = ( 0.3068356 0.6056703 0.3261599), wk = 0.0024272 k( 131) = ( 0.3196204 0.6056703 0.3261599), wk = 0.0024272 k( 132) = ( 0.3196204 0.6056703 0.3261599), wk = 0.0024272 k( 133) = ( 0.3134738 0.5940228 0.3261599), wk = 0.0024272 k( 134) = ( 0.3073273 0.5823753 0.3261599), wk = 0.0024272 k( 135) = ( 0.3011807 0.5707278 0.3261599), wk = 0.0024272 k( 136) = ( 0.2950342 0.5590803 0.3261599), wk = 0.0024272 k( 137) = ( 0.2888876 0.5474328 0.3261599), wk = 0.0024272 k( 138) = ( 0.2827411 0.5357853 0.3261599), wk = 0.0024272 k( 139) = ( 0.2765946 0.5241378 0.3261599), wk = 0.0024272 k( 140) = ( 0.2704480 0.5124903 0.3261599), wk = 0.0024272 k( 141) = ( 0.2643015 0.5008427 0.3261599), wk = 0.0024272 k( 142) = ( 0.2581549 0.4891952 0.3261599), wk = 0.0024272 k( 143) = ( 0.2520084 0.4775477 0.3261599), wk = 0.0024272 k( 144) = ( 0.2458618 0.4659002 0.3261599), wk = 0.0024272 k( 145) = ( 0.2397153 0.4542527 0.3261599), wk = 0.0024272 k( 146) = ( 0.2335687 0.4426052 0.3261599), wk = 0.0024272 k( 147) = ( 0.2274222 0.4309577 0.3261599), wk = 0.0024272 k( 148) = ( 0.2212756 0.4193102 0.3261599), wk = 0.0024272 k( 149) = ( 0.2151291 0.4076627 0.3261599), wk = 0.0024272 k( 150) = ( 0.2089825 0.3960152 0.3261599), wk = 0.0024272 k( 151) = ( 0.2028360 0.3843677 0.3261599), wk = 0.0024272 k( 152) = ( 0.1966895 0.3727202 0.3261599), wk = 0.0024272 k( 153) = ( 0.1905429 0.3610727 0.3261599), wk = 0.0024272 k( 154) = ( 0.1843964 0.3494252 0.3261599), wk = 0.0024272 k( 155) = ( 0.1782498 0.3377777 0.3261599), wk = 0.0024272 k( 156) = ( 0.1721033 0.3261302 0.3261599), wk = 0.0024272 k( 157) = ( 0.1659567 0.3144826 0.3261599), wk = 0.0024272 k( 158) = ( 0.1598102 0.3028352 0.3261599), wk = 0.0024272 k( 159) = ( 0.1536636 0.2911876 0.3261599), wk = 0.0024272 k( 160) = ( 0.1475171 0.2795401 0.3261599), wk = 0.0024272 k( 161) = ( 0.1413706 0.2678926 0.3261599), wk = 0.0024272 k( 162) = ( 0.1352240 0.2562451 0.3261599), wk = 0.0024272 k( 163) = ( 0.1290775 0.2445976 0.3261599), wk = 0.0024272 k( 164) = ( 0.1229309 0.2329501 0.3261599), wk = 0.0024272 k( 165) = ( 0.1167844 0.2213026 0.3261599), wk = 0.0024272 k( 166) = ( 0.1106378 0.2096551 0.3261599), wk = 0.0024272 k( 167) = ( 0.1044913 0.1980076 0.3261599), wk = 0.0024272 k( 168) = ( 0.0983447 0.1863601 0.3261599), wk = 0.0024272 k( 169) = ( 0.0921982 0.1747126 0.3261599), wk = 0.0024272 k( 170) = ( 0.0860516 0.1630651 0.3261599), wk = 0.0024272 k( 171) = ( 0.0799051 0.1514176 0.3261599), wk = 0.0024272 k( 172) = ( 0.0737586 0.1397701 0.3261599), wk = 0.0024272 k( 173) = ( 0.0676120 0.1281226 0.3261599), wk = 0.0024272 k( 174) = ( 0.0614655 0.1164751 0.3261599), wk = 0.0024272 k( 175) = ( 0.0553189 0.1048275 0.3261599), wk = 0.0024272 k( 176) = ( 0.0491724 0.0931801 0.3261599), wk = 0.0024272 k( 177) = ( 0.0430258 0.0815325 0.3261599), wk = 0.0024272 k( 178) = ( 0.0368793 0.0698850 0.3261599), wk = 0.0024272 k( 179) = ( 0.0307327 0.0582375 0.3261599), wk = 0.0024272 k( 180) = ( 0.0245862 0.0465900 0.3261599), wk = 0.0024272 k( 181) = ( 0.0184396 0.0349425 0.3261599), wk = 0.0024272 k( 182) = ( 0.0122931 0.0232950 0.3261599), wk = 0.0024272 k( 183) = ( 0.0061465 0.0116475 0.3261599), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.3261599), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.3261599), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.3131135), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.3000671), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.2870207), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.2739743), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.2609279), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.2478815), wk = 0.0024272 k( 192) = ( 0.0000000 0.0000000 0.2348351), wk = 0.0024272 k( 193) = ( 0.0000000 0.0000000 0.2217887), wk = 0.0024272 k( 194) = ( 0.0000000 0.0000000 0.2087423), wk = 0.0024272 k( 195) = ( 0.0000000 0.0000000 0.1956960), wk = 0.0024272 k( 196) = ( 0.0000000 0.0000000 0.1826496), wk = 0.0024272 k( 197) = ( 0.0000000 0.0000000 0.1696032), wk = 0.0024272 k( 198) = ( 0.0000000 0.0000000 0.1565568), wk = 0.0024272 k( 199) = ( 0.0000000 0.0000000 0.1435104), wk = 0.0024272 k( 200) = ( 0.0000000 0.0000000 0.1304640), wk = 0.0024272 k( 201) = ( 0.0000000 0.0000000 0.1174176), wk = 0.0024272 k( 202) = ( 0.0000000 0.0000000 0.1043712), wk = 0.0024272 k( 203) = ( 0.0000000 0.0000000 0.0913248), wk = 0.0024272 k( 204) = ( 0.0000000 0.0000000 0.0782784), wk = 0.0024272 k( 205) = ( 0.0000000 0.0000000 0.0652320), wk = 0.0024272 k( 206) = ( 0.0000000 0.0000000 0.0521856), wk = 0.0024272 k( 207) = ( 0.0000000 0.0000000 0.0391392), wk = 0.0024272 k( 208) = ( 0.0000000 0.0000000 0.0260928), wk = 0.0024272 k( 209) = ( 0.0000000 0.0000000 0.0130464), wk = 0.0024272 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 212) = ( -0.0116279 0.0061362 -0.0000000), wk = 0.0024272 k( 213) = ( -0.0232558 0.0122724 0.0000000), wk = 0.0024272 k( 214) = ( -0.0348837 0.0184086 0.0000000), wk = 0.0024272 k( 215) = ( -0.0465116 0.0245448 -0.0000000), wk = 0.0024272 k( 216) = ( -0.0581395 0.0306810 0.0000000), wk = 0.0024272 k( 217) = ( -0.0697674 0.0368172 0.0000000), wk = 0.0024272 k( 218) = ( -0.0813954 0.0429534 0.0000000), wk = 0.0024272 k( 219) = ( -0.0930233 0.0490896 -0.0000000), wk = 0.0024272 k( 220) = ( -0.1046512 0.0552258 -0.0000000), wk = 0.0024272 k( 221) = ( -0.1162791 0.0613620 0.0000000), wk = 0.0024272 k( 222) = ( -0.1279070 0.0674982 -0.0000000), wk = 0.0024272 k( 223) = ( -0.1395349 0.0736344 0.0000000), wk = 0.0024272 k( 224) = ( -0.1511628 0.0797706 0.0000000), wk = 0.0024272 k( 225) = ( -0.1627907 0.0859068 0.0000000), wk = 0.0024272 k( 226) = ( -0.1744186 0.0920430 0.0000000), wk = 0.0024272 k( 227) = ( -0.1860465 0.0981792 0.0000000), wk = 0.0024272 k( 228) = ( -0.1976744 0.1043155 0.0000000), wk = 0.0024272 k( 229) = ( -0.2093023 0.1104517 0.0000000), wk = 0.0024272 k( 230) = ( -0.2209302 0.1165879 0.0000000), wk = 0.0024272 k( 231) = ( -0.2325581 0.1227241 0.0000000), wk = 0.0024272 k( 232) = ( -0.2441860 0.1288603 0.0000000), wk = 0.0024272 k( 233) = ( -0.2558140 0.1349965 -0.0000000), wk = 0.0024272 k( 234) = ( -0.2674419 0.1411327 0.0000000), wk = 0.0024272 k( 235) = ( -0.2790698 0.1472689 -0.0000000), wk = 0.0024272 k( 236) = ( -0.2906977 0.1534051 -0.0000000), wk = 0.0024272 k( 237) = ( -0.3023256 0.1595413 0.0000000), wk = 0.0024272 k( 238) = ( -0.3139535 0.1656775 -0.0000000), wk = 0.0024272 k( 239) = ( -0.3255814 0.1718137 0.0000000), wk = 0.0024272 k( 240) = ( -0.3372093 0.1779499 0.0000000), wk = 0.0024272 k( 241) = ( -0.3488372 0.1840861 -0.0000000), wk = 0.0024272 k( 242) = ( -0.3604651 0.1902223 0.0000000), wk = 0.0024272 k( 243) = ( -0.3720930 0.1963585 0.0000000), wk = 0.0024272 k( 244) = ( -0.3837209 0.2024947 -0.0000000), wk = 0.0024272 k( 245) = ( -0.3953488 0.2086309 0.0000000), wk = 0.0024272 k( 246) = ( -0.4069767 0.2147671 0.0000000), wk = 0.0024272 k( 247) = ( -0.4186047 0.2209033 -0.0000000), wk = 0.0024272 k( 248) = ( -0.4302326 0.2270395 0.0000000), wk = 0.0024272 k( 249) = ( -0.4418605 0.2331757 -0.0000000), wk = 0.0024272 k( 250) = ( -0.4534884 0.2393119 -0.0000000), wk = 0.0024272 k( 251) = ( -0.4651163 0.2454481 0.0000000), wk = 0.0024272 k( 252) = ( -0.4767442 0.2515843 -0.0000000), wk = 0.0024272 k( 253) = ( -0.4883721 0.2577205 0.0000000), wk = 0.0024272 k( 254) = ( -0.5000000 0.2638567 0.0000000), wk = 0.0024272 k( 255) = ( -0.5000000 0.2638567 0.0000000), wk = 0.0024272 k( 256) = ( -0.4939873 0.2752505 -0.0000000), wk = 0.0024272 k( 257) = ( -0.4879747 0.2866443 -0.0000000), wk = 0.0024272 k( 258) = ( -0.4819620 0.2980381 -0.0000000), wk = 0.0024272 k( 259) = ( -0.4759494 0.3094319 -0.0000000), wk = 0.0024272 k( 260) = ( -0.4699367 0.3208257 -0.0000000), wk = 0.0024272 k( 261) = ( -0.4639241 0.3322194 -0.0000000), wk = 0.0024272 k( 262) = ( -0.4579114 0.3436132 -0.0000000), wk = 0.0024272 k( 263) = ( -0.4518988 0.3550070 -0.0000000), wk = 0.0024272 k( 264) = ( -0.4458861 0.3664008 -0.0000000), wk = 0.0024272 k( 265) = ( -0.4398735 0.3777946 -0.0000000), wk = 0.0024272 k( 266) = ( -0.4338608 0.3891884 -0.0000000), wk = 0.0024272 k( 267) = ( -0.4278481 0.4005822 -0.0000000), wk = 0.0024272 k( 268) = ( -0.4218355 0.4119759 -0.0000000), wk = 0.0024272 k( 269) = ( -0.4158228 0.4233697 -0.0000000), wk = 0.0024272 k( 270) = ( -0.4098102 0.4347635 -0.0000000), wk = 0.0024272 k( 271) = ( -0.4037975 0.4461573 -0.0000000), wk = 0.0024272 k( 272) = ( -0.3977849 0.4575511 -0.0000000), wk = 0.0024272 k( 273) = ( -0.3917722 0.4689449 -0.0000000), wk = 0.0024272 k( 274) = ( -0.3857596 0.4803387 -0.0000000), wk = 0.0024272 k( 275) = ( -0.3797469 0.4917324 -0.0000000), wk = 0.0024272 k( 276) = ( -0.3737343 0.5031262 -0.0000000), wk = 0.0024272 k( 277) = ( -0.3677216 0.5145200 -0.0000000), wk = 0.0024272 k( 278) = ( -0.3617090 0.5259138 -0.0000000), wk = 0.0024272 k( 279) = ( -0.3556963 0.5373076 -0.0000000), wk = 0.0024272 k( 280) = ( -0.3496837 0.5487014 -0.0000000), wk = 0.0024272 k( 281) = ( -0.3436710 0.5600952 -0.0000000), wk = 0.0024272 k( 282) = ( -0.3376583 0.5714889 -0.0000000), wk = 0.0024272 k( 283) = ( -0.3316457 0.5828827 -0.0000000), wk = 0.0024272 k( 284) = ( -0.3256330 0.5942765 -0.0000000), wk = 0.0024272 k( 285) = ( -0.3196204 0.6056703 -0.0000000), wk = 0.0024272 k( 286) = ( -0.3196204 0.6056703 -0.0000000), wk = 0.0024272 k( 287) = ( -0.3196204 0.6056703 0.0130464), wk = 0.0024272 k( 288) = ( -0.3196204 0.6056703 0.0260928), wk = 0.0024272 k( 289) = ( -0.3196204 0.6056703 0.0391392), wk = 0.0024272 k( 290) = ( -0.3196204 0.6056703 0.0521856), wk = 0.0024272 k( 291) = ( -0.3196204 0.6056703 0.0652320), wk = 0.0024272 k( 292) = ( -0.3196204 0.6056703 0.0782784), wk = 0.0024272 k( 293) = ( -0.3196204 0.6056703 0.0913248), wk = 0.0024272 k( 294) = ( -0.3196204 0.6056703 0.1043712), wk = 0.0024272 k( 295) = ( -0.3196204 0.6056703 0.1174176), wk = 0.0024272 k( 296) = ( -0.3196204 0.6056703 0.1304640), wk = 0.0024272 k( 297) = ( -0.3196204 0.6056703 0.1435104), wk = 0.0024272 k( 298) = ( -0.3196204 0.6056703 0.1565568), wk = 0.0024272 k( 299) = ( -0.3196204 0.6056703 0.1696032), wk = 0.0024272 k( 300) = ( -0.3196204 0.6056703 0.1826496), wk = 0.0024272 k( 301) = ( -0.3196204 0.6056703 0.1956960), wk = 0.0024272 k( 302) = ( -0.3196204 0.6056703 0.2087423), wk = 0.0024272 k( 303) = ( -0.3196204 0.6056703 0.2217887), wk = 0.0024272 k( 304) = ( -0.3196204 0.6056703 0.2348351), wk = 0.0024272 k( 305) = ( -0.3196204 0.6056703 0.2478815), wk = 0.0024272 k( 306) = ( -0.3196204 0.6056703 0.2609279), wk = 0.0024272 k( 307) = ( -0.3196204 0.6056703 0.2739743), wk = 0.0024272 k( 308) = ( -0.3196204 0.6056703 0.2870207), wk = 0.0024272 k( 309) = ( -0.3196204 0.6056703 0.3000671), wk = 0.0024272 k( 310) = ( -0.3196204 0.6056703 0.3131135), wk = 0.0024272 k( 311) = ( -0.3196204 0.6056703 0.3261599), wk = 0.0024272 k( 312) = ( -0.3196204 0.6056703 0.3261599), wk = 0.0024272 k( 313) = ( -0.3256330 0.5942765 0.3261599), wk = 0.0024272 k( 314) = ( -0.3316457 0.5828827 0.3261599), wk = 0.0024272 k( 315) = ( -0.3376583 0.5714889 0.3261599), wk = 0.0024272 k( 316) = ( -0.3436710 0.5600952 0.3261599), wk = 0.0024272 k( 317) = ( -0.3496837 0.5487014 0.3261599), wk = 0.0024272 k( 318) = ( -0.3556963 0.5373076 0.3261599), wk = 0.0024272 k( 319) = ( -0.3617090 0.5259138 0.3261599), wk = 0.0024272 k( 320) = ( -0.3677216 0.5145200 0.3261599), wk = 0.0024272 k( 321) = ( -0.3737343 0.5031262 0.3261599), wk = 0.0024272 k( 322) = ( -0.3797469 0.4917324 0.3261599), wk = 0.0024272 k( 323) = ( -0.3857596 0.4803387 0.3261599), wk = 0.0024272 k( 324) = ( -0.3917722 0.4689449 0.3261599), wk = 0.0024272 k( 325) = ( -0.3977849 0.4575511 0.3261599), wk = 0.0024272 k( 326) = ( -0.4037975 0.4461573 0.3261599), wk = 0.0024272 k( 327) = ( -0.4098102 0.4347635 0.3261599), wk = 0.0024272 k( 328) = ( -0.4158228 0.4233697 0.3261599), wk = 0.0024272 k( 329) = ( -0.4218355 0.4119759 0.3261599), wk = 0.0024272 k( 330) = ( -0.4278481 0.4005822 0.3261599), wk = 0.0024272 k( 331) = ( -0.4338608 0.3891884 0.3261599), wk = 0.0024272 k( 332) = ( -0.4398735 0.3777946 0.3261599), wk = 0.0024272 k( 333) = ( -0.4458861 0.3664008 0.3261599), wk = 0.0024272 k( 334) = ( -0.4518988 0.3550070 0.3261599), wk = 0.0024272 k( 335) = ( -0.4579114 0.3436132 0.3261599), wk = 0.0024272 k( 336) = ( -0.4639241 0.3322194 0.3261599), wk = 0.0024272 k( 337) = ( -0.4699367 0.3208257 0.3261599), wk = 0.0024272 k( 338) = ( -0.4759494 0.3094319 0.3261599), wk = 0.0024272 k( 339) = ( -0.4819620 0.2980381 0.3261599), wk = 0.0024272 k( 340) = ( -0.4879747 0.2866443 0.3261599), wk = 0.0024272 k( 341) = ( -0.4939873 0.2752505 0.3261599), wk = 0.0024272 k( 342) = ( -0.5000000 0.2638567 0.3261599), wk = 0.0024272 k( 343) = ( -0.5000000 0.2638567 0.3261599), wk = 0.0024272 k( 344) = ( -0.5000000 0.2638567 0.3131135), wk = 0.0024272 k( 345) = ( -0.5000000 0.2638567 0.3000671), wk = 0.0024272 k( 346) = ( -0.5000000 0.2638567 0.2870207), wk = 0.0024272 k( 347) = ( -0.5000000 0.2638567 0.2739743), wk = 0.0024272 k( 348) = ( -0.5000000 0.2638567 0.2609279), wk = 0.0024272 k( 349) = ( -0.5000000 0.2638567 0.2478815), wk = 0.0024272 k( 350) = ( -0.5000000 0.2638567 0.2348351), wk = 0.0024272 k( 351) = ( -0.5000000 0.2638567 0.2217887), wk = 0.0024272 k( 352) = ( -0.5000000 0.2638567 0.2087423), wk = 0.0024272 k( 353) = ( -0.5000000 0.2638567 0.1956960), wk = 0.0024272 k( 354) = ( -0.5000000 0.2638567 0.1826496), wk = 0.0024272 k( 355) = ( -0.5000000 0.2638567 0.1696032), wk = 0.0024272 k( 356) = ( -0.5000000 0.2638567 0.1565568), wk = 0.0024272 k( 357) = ( -0.5000000 0.2638567 0.1435104), wk = 0.0024272 k( 358) = ( -0.5000000 0.2638567 0.1304640), wk = 0.0024272 k( 359) = ( -0.5000000 0.2638567 0.1174176), wk = 0.0024272 k( 360) = ( -0.5000000 0.2638567 0.1043712), wk = 0.0024272 k( 361) = ( -0.5000000 0.2638567 0.0913248), wk = 0.0024272 k( 362) = ( -0.5000000 0.2638567 0.0782784), wk = 0.0024272 k( 363) = ( -0.5000000 0.2638567 0.0652320), wk = 0.0024272 k( 364) = ( -0.5000000 0.2638567 0.0521856), wk = 0.0024272 k( 365) = ( -0.5000000 0.2638567 0.0391392), wk = 0.0024272 k( 366) = ( -0.5000000 0.2638567 0.0260928), wk = 0.0024272 k( 367) = ( -0.5000000 0.2638567 0.0130464), wk = 0.0024272 k( 368) = ( -0.5000000 0.2638567 0.0000000), wk = 0.0024272 k( 369) = ( 0.0000000 0.0000000 0.3261599), wk = 0.0024272 k( 370) = ( -0.0116279 0.0061362 0.3261599), wk = 0.0024272 k( 371) = ( -0.0232558 0.0122724 0.3261599), wk = 0.0024272 k( 372) = ( -0.0348837 0.0184086 0.3261599), wk = 0.0024272 k( 373) = ( -0.0465116 0.0245448 0.3261599), wk = 0.0024272 k( 374) = ( -0.0581395 0.0306810 0.3261599), wk = 0.0024272 k( 375) = ( -0.0697674 0.0368172 0.3261599), wk = 0.0024272 k( 376) = ( -0.0813954 0.0429534 0.3261599), wk = 0.0024272 k( 377) = ( -0.0930233 0.0490896 0.3261599), wk = 0.0024272 k( 378) = ( -0.1046512 0.0552258 0.3261599), wk = 0.0024272 k( 379) = ( -0.1162791 0.0613620 0.3261599), wk = 0.0024272 k( 380) = ( -0.1279070 0.0674982 0.3261599), wk = 0.0024272 k( 381) = ( -0.1395349 0.0736344 0.3261599), wk = 0.0024272 k( 382) = ( -0.1511628 0.0797706 0.3261599), wk = 0.0024272 k( 383) = ( -0.1627907 0.0859068 0.3261599), wk = 0.0024272 k( 384) = ( -0.1744186 0.0920430 0.3261599), wk = 0.0024272 k( 385) = ( -0.1860465 0.0981792 0.3261599), wk = 0.0024272 k( 386) = ( -0.1976744 0.1043155 0.3261599), wk = 0.0024272 k( 387) = ( -0.2093023 0.1104517 0.3261599), wk = 0.0024272 k( 388) = ( -0.2209302 0.1165879 0.3261599), wk = 0.0024272 k( 389) = ( -0.2325581 0.1227241 0.3261599), wk = 0.0024272 k( 390) = ( -0.2441860 0.1288603 0.3261599), wk = 0.0024272 k( 391) = ( -0.2558140 0.1349965 0.3261599), wk = 0.0024272 k( 392) = ( -0.2674419 0.1411327 0.3261599), wk = 0.0024272 k( 393) = ( -0.2790698 0.1472689 0.3261599), wk = 0.0024272 k( 394) = ( -0.2906977 0.1534051 0.3261599), wk = 0.0024272 k( 395) = ( -0.3023256 0.1595413 0.3261599), wk = 0.0024272 k( 396) = ( -0.3139535 0.1656775 0.3261599), wk = 0.0024272 k( 397) = ( -0.3255814 0.1718137 0.3261599), wk = 0.0024272 k( 398) = ( -0.3372093 0.1779499 0.3261599), wk = 0.0024272 k( 399) = ( -0.3488372 0.1840861 0.3261599), wk = 0.0024272 k( 400) = ( -0.3604651 0.1902223 0.3261599), wk = 0.0024272 k( 401) = ( -0.3720930 0.1963585 0.3261599), wk = 0.0024272 k( 402) = ( -0.3837209 0.2024947 0.3261599), wk = 0.0024272 k( 403) = ( -0.3953488 0.2086309 0.3261599), wk = 0.0024272 k( 404) = ( -0.4069767 0.2147671 0.3261599), wk = 0.0024272 k( 405) = ( -0.4186047 0.2209033 0.3261599), wk = 0.0024272 k( 406) = ( -0.4302326 0.2270395 0.3261599), wk = 0.0024272 k( 407) = ( -0.4418605 0.2331757 0.3261599), wk = 0.0024272 k( 408) = ( -0.4534884 0.2393119 0.3261599), wk = 0.0024272 k( 409) = ( -0.4651163 0.2454481 0.3261599), wk = 0.0024272 k( 410) = ( -0.4767442 0.2515843 0.3261599), wk = 0.0024272 k( 411) = ( -0.4883721 0.2577205 0.3261599), wk = 0.0024272 k( 412) = ( -0.5000000 0.2638567 0.3261599), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0061465 0.0061465 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0122931 0.0122931 0.0000000), wk = 0.0024272 k( 4) = ( 0.0184396 0.0184396 0.0000000), wk = 0.0024272 k( 5) = ( 0.0245862 0.0245862 0.0000000), wk = 0.0024272 k( 6) = ( 0.0307327 0.0307327 0.0000000), wk = 0.0024272 k( 7) = ( 0.0368793 0.0368793 0.0000000), wk = 0.0024272 k( 8) = ( 0.0430258 0.0430258 0.0000000), wk = 0.0024272 k( 9) = ( 0.0491724 0.0491724 0.0000000), wk = 0.0024272 k( 10) = ( 0.0553189 0.0553189 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0614655 0.0614655 0.0000000), wk = 0.0024272 k( 12) = ( 0.0676120 0.0676120 0.0000000), wk = 0.0024272 k( 13) = ( 0.0737586 0.0737585 0.0000000), wk = 0.0024272 k( 14) = ( 0.0799051 0.0799051 0.0000000), wk = 0.0024272 k( 15) = ( 0.0860516 0.0860516 0.0000000), wk = 0.0024272 k( 16) = ( 0.0921982 0.0921982 0.0000000), wk = 0.0024272 k( 17) = ( 0.0983447 0.0983447 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1044913 0.1044913 0.0000000), wk = 0.0024272 k( 19) = ( 0.1106378 0.1106378 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1167844 0.1167844 0.0000000), wk = 0.0024272 k( 21) = ( 0.1229309 0.1229309 0.0000000), wk = 0.0024272 k( 22) = ( 0.1290775 0.1290775 0.0000000), wk = 0.0024272 k( 23) = ( 0.1352240 0.1352240 -0.0000000), wk = 0.0024272 k( 24) = ( 0.1413706 0.1413705 -0.0000000), wk = 0.0024272 k( 25) = ( 0.1475171 0.1475171 0.0000000), wk = 0.0024272 k( 26) = ( 0.1536636 0.1536636 0.0000000), wk = 0.0024272 k( 27) = ( 0.1598102 0.1598102 -0.0000000), wk = 0.0024272 k( 28) = ( 0.1659567 0.1659567 0.0000000), wk = 0.0024272 k( 29) = ( 0.1721033 0.1721033 0.0000000), wk = 0.0024272 k( 30) = ( 0.1782498 0.1782498 0.0000000), wk = 0.0024272 k( 31) = ( 0.1843964 0.1843964 -0.0000000), wk = 0.0024272 k( 32) = ( 0.1905429 0.1905429 -0.0000000), wk = 0.0024272 k( 33) = ( 0.1966895 0.1966895 -0.0000000), wk = 0.0024272 k( 34) = ( 0.2028360 0.2028360 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2089825 0.2089825 0.0000000), wk = 0.0024272 k( 36) = ( 0.2151291 0.2151291 0.0000000), wk = 0.0024272 k( 37) = ( 0.2212756 0.2212756 -0.0000000), wk = 0.0024272 k( 38) = ( 0.2274222 0.2274222 0.0000000), wk = 0.0024272 k( 39) = ( 0.2335687 0.2335687 0.0000000), wk = 0.0024272 k( 40) = ( 0.2397153 0.2397153 0.0000000), wk = 0.0024272 k( 41) = ( 0.2458618 0.2458618 -0.0000000), wk = 0.0024272 k( 42) = ( 0.2520084 0.2520084 0.0000000), wk = 0.0024272 k( 43) = ( 0.2581549 0.2581549 0.0000000), wk = 0.0024272 k( 44) = ( 0.2643015 0.2643015 0.0000000), wk = 0.0024272 k( 45) = ( 0.2704480 0.2704480 0.0000000), wk = 0.0024272 k( 46) = ( 0.2765946 0.2765946 0.0000000), wk = 0.0024272 k( 47) = ( 0.2827411 0.2827411 -0.0000000), wk = 0.0024272 k( 48) = ( 0.2888876 0.2888876 0.0000000), wk = 0.0024272 k( 49) = ( 0.2950342 0.2950342 -0.0000000), wk = 0.0024272 k( 50) = ( 0.3011807 0.3011807 -0.0000000), wk = 0.0024272 k( 51) = ( 0.3073273 0.3073273 0.0000000), wk = 0.0024272 k( 52) = ( 0.3134738 0.3134738 -0.0000000), wk = 0.0024272 k( 53) = ( 0.3196204 0.3196204 -0.0000000), wk = 0.0024272 k( 54) = ( 0.3196204 0.3196204 -0.0000000), wk = 0.0024272 k( 55) = ( 0.3068356 0.3268356 -0.0000000), wk = 0.0024272 k( 56) = ( 0.2940508 0.3340508 -0.0000000), wk = 0.0024272 k( 57) = ( 0.2812659 0.3412659 -0.0000000), wk = 0.0024272 k( 58) = ( 0.2684811 0.3484811 -0.0000000), wk = 0.0024272 k( 59) = ( 0.2556963 0.3556963 0.0000000), wk = 0.0024272 k( 60) = ( 0.2429115 0.3629115 0.0000000), wk = 0.0024272 k( 61) = ( 0.2301267 0.3701267 -0.0000000), wk = 0.0024272 k( 62) = ( 0.2173419 0.3773419 -0.0000000), wk = 0.0024272 k( 63) = ( 0.2045570 0.3845570 0.0000000), wk = 0.0024272 k( 64) = ( 0.1917722 0.3917722 0.0000000), wk = 0.0024272 k( 65) = ( 0.1789874 0.3989874 -0.0000000), wk = 0.0024272 k( 66) = ( 0.1662026 0.4062026 0.0000000), wk = 0.0024272 k( 67) = ( 0.1534178 0.4134178 0.0000000), wk = 0.0024272 k( 68) = ( 0.1406330 0.4206330 -0.0000000), wk = 0.0024272 k( 69) = ( 0.1278481 0.4278481 -0.0000000), wk = 0.0024272 k( 70) = ( 0.1150633 0.4350633 0.0000000), wk = 0.0024272 k( 71) = ( 0.1022785 0.4422785 0.0000000), wk = 0.0024272 k( 72) = ( 0.0894937 0.4494937 0.0000000), wk = 0.0024272 k( 73) = ( 0.0767089 0.4567089 -0.0000000), wk = 0.0024272 k( 74) = ( 0.0639241 0.4639241 -0.0000000), wk = 0.0024272 k( 75) = ( 0.0511393 0.4711393 -0.0000000), wk = 0.0024272 k( 76) = ( 0.0383544 0.4783544 -0.0000000), wk = 0.0024272 k( 77) = ( 0.0255696 0.4855696 0.0000000), wk = 0.0024272 k( 78) = ( 0.0127848 0.4927848 0.0000000), wk = 0.0024272 k( 79) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 80) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 81) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0024272 k( 82) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0024272 k( 83) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0024272 k( 84) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0024272 k( 85) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024272 k( 86) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0024272 k( 87) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0024272 k( 88) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0024272 k( 89) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0024272 k( 90) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024272 k( 91) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0024272 k( 92) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0024272 k( 93) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0024272 k( 94) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0024272 k( 95) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024272 k( 96) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0024272 k( 97) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0024272 k( 98) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0024272 k( 99) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0024272 k( 100) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024272 k( 101) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0024272 k( 102) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0024272 k( 103) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0024272 k( 104) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0024272 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 107) = ( 0.0127848 0.4927848 0.5000000), wk = 0.0024272 k( 108) = ( 0.0255696 0.4855696 0.5000000), wk = 0.0024272 k( 109) = ( 0.0383544 0.4783544 0.5000000), wk = 0.0024272 k( 110) = ( 0.0511393 0.4711393 0.5000000), wk = 0.0024272 k( 111) = ( 0.0639241 0.4639241 0.5000000), wk = 0.0024272 k( 112) = ( 0.0767089 0.4567089 0.5000000), wk = 0.0024272 k( 113) = ( 0.0894937 0.4494937 0.5000000), wk = 0.0024272 k( 114) = ( 0.1022785 0.4422785 0.5000000), wk = 0.0024272 k( 115) = ( 0.1150633 0.4350633 0.5000000), wk = 0.0024272 k( 116) = ( 0.1278481 0.4278481 0.5000000), wk = 0.0024272 k( 117) = ( 0.1406330 0.4206330 0.5000000), wk = 0.0024272 k( 118) = ( 0.1534178 0.4134178 0.5000000), wk = 0.0024272 k( 119) = ( 0.1662026 0.4062026 0.5000000), wk = 0.0024272 k( 120) = ( 0.1789874 0.3989874 0.5000000), wk = 0.0024272 k( 121) = ( 0.1917722 0.3917722 0.5000000), wk = 0.0024272 k( 122) = ( 0.2045570 0.3845570 0.5000000), wk = 0.0024272 k( 123) = ( 0.2173419 0.3773419 0.5000000), wk = 0.0024272 k( 124) = ( 0.2301267 0.3701267 0.5000000), wk = 0.0024272 k( 125) = ( 0.2429115 0.3629115 0.5000000), wk = 0.0024272 k( 126) = ( 0.2556963 0.3556963 0.5000000), wk = 0.0024272 k( 127) = ( 0.2684811 0.3484811 0.5000000), wk = 0.0024272 k( 128) = ( 0.2812659 0.3412659 0.5000000), wk = 0.0024272 k( 129) = ( 0.2940508 0.3340508 0.5000000), wk = 0.0024272 k( 130) = ( 0.3068356 0.3268356 0.5000000), wk = 0.0024272 k( 131) = ( 0.3196204 0.3196204 0.5000000), wk = 0.0024272 k( 132) = ( 0.3196204 0.3196204 0.5000000), wk = 0.0024272 k( 133) = ( 0.3134738 0.3134738 0.5000000), wk = 0.0024272 k( 134) = ( 0.3073273 0.3073273 0.5000000), wk = 0.0024272 k( 135) = ( 0.3011807 0.3011807 0.5000000), wk = 0.0024272 k( 136) = ( 0.2950342 0.2950342 0.5000000), wk = 0.0024272 k( 137) = ( 0.2888876 0.2888876 0.5000000), wk = 0.0024272 k( 138) = ( 0.2827411 0.2827411 0.5000000), wk = 0.0024272 k( 139) = ( 0.2765946 0.2765946 0.5000000), wk = 0.0024272 k( 140) = ( 0.2704480 0.2704480 0.5000000), wk = 0.0024272 k( 141) = ( 0.2643015 0.2643015 0.5000000), wk = 0.0024272 k( 142) = ( 0.2581549 0.2581549 0.5000000), wk = 0.0024272 k( 143) = ( 0.2520084 0.2520084 0.5000000), wk = 0.0024272 k( 144) = ( 0.2458618 0.2458618 0.5000000), wk = 0.0024272 k( 145) = ( 0.2397153 0.2397153 0.5000000), wk = 0.0024272 k( 146) = ( 0.2335687 0.2335687 0.5000000), wk = 0.0024272 k( 147) = ( 0.2274222 0.2274222 0.5000000), wk = 0.0024272 k( 148) = ( 0.2212756 0.2212756 0.5000000), wk = 0.0024272 k( 149) = ( 0.2151291 0.2151291 0.5000000), wk = 0.0024272 k( 150) = ( 0.2089825 0.2089825 0.5000000), wk = 0.0024272 k( 151) = ( 0.2028360 0.2028360 0.5000000), wk = 0.0024272 k( 152) = ( 0.1966895 0.1966895 0.5000000), wk = 0.0024272 k( 153) = ( 0.1905429 0.1905429 0.5000000), wk = 0.0024272 k( 154) = ( 0.1843964 0.1843964 0.5000000), wk = 0.0024272 k( 155) = ( 0.1782498 0.1782498 0.5000000), wk = 0.0024272 k( 156) = ( 0.1721033 0.1721033 0.5000000), wk = 0.0024272 k( 157) = ( 0.1659567 0.1659567 0.5000000), wk = 0.0024272 k( 158) = ( 0.1598102 0.1598102 0.5000000), wk = 0.0024272 k( 159) = ( 0.1536636 0.1536636 0.5000000), wk = 0.0024272 k( 160) = ( 0.1475171 0.1475171 0.5000000), wk = 0.0024272 k( 161) = ( 0.1413706 0.1413705 0.5000000), wk = 0.0024272 k( 162) = ( 0.1352240 0.1352240 0.5000000), wk = 0.0024272 k( 163) = ( 0.1290775 0.1290775 0.5000000), wk = 0.0024272 k( 164) = ( 0.1229309 0.1229309 0.5000000), wk = 0.0024272 k( 165) = ( 0.1167844 0.1167844 0.5000000), wk = 0.0024272 k( 166) = ( 0.1106378 0.1106378 0.5000000), wk = 0.0024272 k( 167) = ( 0.1044913 0.1044913 0.5000000), wk = 0.0024272 k( 168) = ( 0.0983447 0.0983447 0.5000000), wk = 0.0024272 k( 169) = ( 0.0921982 0.0921982 0.5000000), wk = 0.0024272 k( 170) = ( 0.0860516 0.0860516 0.5000000), wk = 0.0024272 k( 171) = ( 0.0799051 0.0799051 0.5000000), wk = 0.0024272 k( 172) = ( 0.0737586 0.0737585 0.5000000), wk = 0.0024272 k( 173) = ( 0.0676120 0.0676120 0.5000000), wk = 0.0024272 k( 174) = ( 0.0614655 0.0614655 0.5000000), wk = 0.0024272 k( 175) = ( 0.0553189 0.0553189 0.5000000), wk = 0.0024272 k( 176) = ( 0.0491724 0.0491724 0.5000000), wk = 0.0024272 k( 177) = ( 0.0430258 0.0430258 0.5000000), wk = 0.0024272 k( 178) = ( 0.0368793 0.0368793 0.5000000), wk = 0.0024272 k( 179) = ( 0.0307327 0.0307327 0.5000000), wk = 0.0024272 k( 180) = ( 0.0245862 0.0245862 0.5000000), wk = 0.0024272 k( 181) = ( 0.0184396 0.0184396 0.5000000), wk = 0.0024272 k( 182) = ( 0.0122931 0.0122931 0.5000000), wk = 0.0024272 k( 183) = ( 0.0061465 0.0061465 0.5000000), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0024272 k( 192) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0024272 k( 193) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0024272 k( 194) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0024272 k( 195) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024272 k( 196) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0024272 k( 197) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0024272 k( 198) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0024272 k( 199) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0024272 k( 200) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024272 k( 201) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0024272 k( 202) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0024272 k( 203) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0024272 k( 204) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0024272 k( 205) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024272 k( 206) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0024272 k( 207) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0024272 k( 208) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0024272 k( 209) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0024272 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 212) = ( -0.0116279 0.0116279 -0.0000000), wk = 0.0024272 k( 213) = ( -0.0232558 0.0232558 -0.0000000), wk = 0.0024272 k( 214) = ( -0.0348837 0.0348837 0.0000000), wk = 0.0024272 k( 215) = ( -0.0465116 0.0465116 -0.0000000), wk = 0.0024272 k( 216) = ( -0.0581395 0.0581395 -0.0000000), wk = 0.0024272 k( 217) = ( -0.0697674 0.0697674 0.0000000), wk = 0.0024272 k( 218) = ( -0.0813954 0.0813953 -0.0000000), wk = 0.0024272 k( 219) = ( -0.0930233 0.0930233 -0.0000000), wk = 0.0024272 k( 220) = ( -0.1046512 0.1046512 0.0000000), wk = 0.0024272 k( 221) = ( -0.1162791 0.1162791 -0.0000000), wk = 0.0024272 k( 222) = ( -0.1279070 0.1279070 -0.0000000), wk = 0.0024272 k( 223) = ( -0.1395349 0.1395349 0.0000000), wk = 0.0024272 k( 224) = ( -0.1511628 0.1511628 -0.0000000), wk = 0.0024272 k( 225) = ( -0.1627907 0.1627907 -0.0000000), wk = 0.0024272 k( 226) = ( -0.1744186 0.1744186 -0.0000000), wk = 0.0024272 k( 227) = ( -0.1860465 0.1860465 -0.0000000), wk = 0.0024272 k( 228) = ( -0.1976744 0.1976744 -0.0000000), wk = 0.0024272 k( 229) = ( -0.2093023 0.2093023 -0.0000000), wk = 0.0024272 k( 230) = ( -0.2209302 0.2209302 -0.0000000), wk = 0.0024272 k( 231) = ( -0.2325581 0.2325581 -0.0000000), wk = 0.0024272 k( 232) = ( -0.2441860 0.2441860 -0.0000000), wk = 0.0024272 k( 233) = ( -0.2558140 0.2558140 -0.0000000), wk = 0.0024272 k( 234) = ( -0.2674419 0.2674419 -0.0000000), wk = 0.0024272 k( 235) = ( -0.2790698 0.2790698 -0.0000000), wk = 0.0024272 k( 236) = ( -0.2906977 0.2906977 -0.0000000), wk = 0.0024272 k( 237) = ( -0.3023256 0.3023256 -0.0000000), wk = 0.0024272 k( 238) = ( -0.3139535 0.3139535 -0.0000000), wk = 0.0024272 k( 239) = ( -0.3255814 0.3255814 -0.0000000), wk = 0.0024272 k( 240) = ( -0.3372093 0.3372093 -0.0000000), wk = 0.0024272 k( 241) = ( -0.3488372 0.3488372 -0.0000000), wk = 0.0024272 k( 242) = ( -0.3604651 0.3604651 -0.0000000), wk = 0.0024272 k( 243) = ( -0.3720930 0.3720930 -0.0000000), wk = 0.0024272 k( 244) = ( -0.3837209 0.3837209 -0.0000000), wk = 0.0024272 k( 245) = ( -0.3953488 0.3953488 -0.0000000), wk = 0.0024272 k( 246) = ( -0.4069767 0.4069767 -0.0000000), wk = 0.0024272 k( 247) = ( -0.4186047 0.4186046 -0.0000000), wk = 0.0024272 k( 248) = ( -0.4302326 0.4302326 -0.0000000), wk = 0.0024272 k( 249) = ( -0.4418605 0.4418605 -0.0000000), wk = 0.0024272 k( 250) = ( -0.4534884 0.4534884 -0.0000000), wk = 0.0024272 k( 251) = ( -0.4651163 0.4651163 -0.0000000), wk = 0.0024272 k( 252) = ( -0.4767442 0.4767442 -0.0000000), wk = 0.0024272 k( 253) = ( -0.4883721 0.4883721 -0.0000000), wk = 0.0024272 k( 254) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 255) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 256) = ( -0.4939873 0.5060126 -0.0000000), wk = 0.0024272 k( 257) = ( -0.4879747 0.5120253 -0.0000000), wk = 0.0024272 k( 258) = ( -0.4819620 0.5180380 -0.0000000), wk = 0.0024272 k( 259) = ( -0.4759494 0.5240506 0.0000000), wk = 0.0024272 k( 260) = ( -0.4699367 0.5300633 -0.0000000), wk = 0.0024272 k( 261) = ( -0.4639241 0.5360759 0.0000000), wk = 0.0024272 k( 262) = ( -0.4579114 0.5420886 -0.0000000), wk = 0.0024272 k( 263) = ( -0.4518988 0.5481012 -0.0000000), wk = 0.0024272 k( 264) = ( -0.4458861 0.5541139 0.0000000), wk = 0.0024272 k( 265) = ( -0.4398735 0.5601265 -0.0000000), wk = 0.0024272 k( 266) = ( -0.4338608 0.5661392 -0.0000000), wk = 0.0024272 k( 267) = ( -0.4278481 0.5721519 -0.0000000), wk = 0.0024272 k( 268) = ( -0.4218355 0.5781645 -0.0000000), wk = 0.0024272 k( 269) = ( -0.4158228 0.5841772 -0.0000000), wk = 0.0024272 k( 270) = ( -0.4098102 0.5901898 -0.0000000), wk = 0.0024272 k( 271) = ( -0.4037975 0.5962025 -0.0000000), wk = 0.0024272 k( 272) = ( -0.3977849 0.6022151 -0.0000000), wk = 0.0024272 k( 273) = ( -0.3917722 0.6082278 0.0000000), wk = 0.0024272 k( 274) = ( -0.3857596 0.6142404 -0.0000000), wk = 0.0024272 k( 275) = ( -0.3797469 0.6202531 0.0000000), wk = 0.0024272 k( 276) = ( -0.3737343 0.6262657 -0.0000000), wk = 0.0024272 k( 277) = ( -0.3677216 0.6322784 -0.0000000), wk = 0.0024272 k( 278) = ( -0.3617090 0.6382910 0.0000000), wk = 0.0024272 k( 279) = ( -0.3556963 0.6443037 -0.0000000), wk = 0.0024272 k( 280) = ( -0.3496837 0.6503163 -0.0000000), wk = 0.0024272 k( 281) = ( -0.3436710 0.6563290 -0.0000000), wk = 0.0024272 k( 282) = ( -0.3376583 0.6623417 -0.0000000), wk = 0.0024272 k( 283) = ( -0.3316457 0.6683543 -0.0000000), wk = 0.0024272 k( 284) = ( -0.3256330 0.6743670 -0.0000000), wk = 0.0024272 k( 285) = ( -0.3196204 0.6803796 -0.0000000), wk = 0.0024272 k( 286) = ( -0.3196204 0.6803796 -0.0000000), wk = 0.0024272 k( 287) = ( -0.3196204 0.6803796 0.0200000), wk = 0.0024272 k( 288) = ( -0.3196204 0.6803796 0.0400000), wk = 0.0024272 k( 289) = ( -0.3196204 0.6803796 0.0600000), wk = 0.0024272 k( 290) = ( -0.3196204 0.6803796 0.0800000), wk = 0.0024272 k( 291) = ( -0.3196204 0.6803796 0.1000000), wk = 0.0024272 k( 292) = ( -0.3196204 0.6803796 0.1200000), wk = 0.0024272 k( 293) = ( -0.3196204 0.6803796 0.1400000), wk = 0.0024272 k( 294) = ( -0.3196204 0.6803796 0.1600000), wk = 0.0024272 k( 295) = ( -0.3196204 0.6803796 0.1800000), wk = 0.0024272 k( 296) = ( -0.3196204 0.6803796 0.2000000), wk = 0.0024272 k( 297) = ( -0.3196204 0.6803796 0.2200000), wk = 0.0024272 k( 298) = ( -0.3196204 0.6803796 0.2400000), wk = 0.0024272 k( 299) = ( -0.3196204 0.6803796 0.2600000), wk = 0.0024272 k( 300) = ( -0.3196204 0.6803796 0.2800000), wk = 0.0024272 k( 301) = ( -0.3196204 0.6803796 0.3000000), wk = 0.0024272 k( 302) = ( -0.3196204 0.6803796 0.3200000), wk = 0.0024272 k( 303) = ( -0.3196204 0.6803796 0.3400000), wk = 0.0024272 k( 304) = ( -0.3196204 0.6803796 0.3600000), wk = 0.0024272 k( 305) = ( -0.3196204 0.6803796 0.3800000), wk = 0.0024272 k( 306) = ( -0.3196204 0.6803796 0.4000000), wk = 0.0024272 k( 307) = ( -0.3196204 0.6803796 0.4200000), wk = 0.0024272 k( 308) = ( -0.3196204 0.6803796 0.4400000), wk = 0.0024272 k( 309) = ( -0.3196204 0.6803796 0.4600000), wk = 0.0024272 k( 310) = ( -0.3196204 0.6803796 0.4800000), wk = 0.0024272 k( 311) = ( -0.3196204 0.6803796 0.5000000), wk = 0.0024272 k( 312) = ( -0.3196204 0.6803796 0.5000000), wk = 0.0024272 k( 313) = ( -0.3256330 0.6743670 0.5000000), wk = 0.0024272 k( 314) = ( -0.3316457 0.6683543 0.5000000), wk = 0.0024272 k( 315) = ( -0.3376583 0.6623417 0.5000000), wk = 0.0024272 k( 316) = ( -0.3436710 0.6563290 0.5000000), wk = 0.0024272 k( 317) = ( -0.3496837 0.6503163 0.5000000), wk = 0.0024272 k( 318) = ( -0.3556963 0.6443037 0.5000000), wk = 0.0024272 k( 319) = ( -0.3617090 0.6382910 0.5000000), wk = 0.0024272 k( 320) = ( -0.3677216 0.6322784 0.5000000), wk = 0.0024272 k( 321) = ( -0.3737343 0.6262657 0.5000000), wk = 0.0024272 k( 322) = ( -0.3797469 0.6202531 0.5000000), wk = 0.0024272 k( 323) = ( -0.3857596 0.6142404 0.5000000), wk = 0.0024272 k( 324) = ( -0.3917722 0.6082278 0.5000000), wk = 0.0024272 k( 325) = ( -0.3977849 0.6022151 0.5000000), wk = 0.0024272 k( 326) = ( -0.4037975 0.5962025 0.5000000), wk = 0.0024272 k( 327) = ( -0.4098102 0.5901898 0.5000000), wk = 0.0024272 k( 328) = ( -0.4158228 0.5841772 0.5000000), wk = 0.0024272 k( 329) = ( -0.4218355 0.5781645 0.5000000), wk = 0.0024272 k( 330) = ( -0.4278481 0.5721519 0.5000000), wk = 0.0024272 k( 331) = ( -0.4338608 0.5661392 0.5000000), wk = 0.0024272 k( 332) = ( -0.4398735 0.5601265 0.5000000), wk = 0.0024272 k( 333) = ( -0.4458861 0.5541139 0.5000000), wk = 0.0024272 k( 334) = ( -0.4518988 0.5481012 0.5000000), wk = 0.0024272 k( 335) = ( -0.4579114 0.5420886 0.5000000), wk = 0.0024272 k( 336) = ( -0.4639241 0.5360759 0.5000000), wk = 0.0024272 k( 337) = ( -0.4699367 0.5300633 0.5000000), wk = 0.0024272 k( 338) = ( -0.4759494 0.5240506 0.5000000), wk = 0.0024272 k( 339) = ( -0.4819620 0.5180380 0.5000000), wk = 0.0024272 k( 340) = ( -0.4879747 0.5120253 0.5000000), wk = 0.0024272 k( 341) = ( -0.4939873 0.5060126 0.5000000), wk = 0.0024272 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 343) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 344) = ( -0.5000000 0.5000000 0.4800000), wk = 0.0024272 k( 345) = ( -0.5000000 0.5000000 0.4600000), wk = 0.0024272 k( 346) = ( -0.5000000 0.5000000 0.4400000), wk = 0.0024272 k( 347) = ( -0.5000000 0.5000000 0.4200000), wk = 0.0024272 k( 348) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024272 k( 349) = ( -0.5000000 0.5000000 0.3800000), wk = 0.0024272 k( 350) = ( -0.5000000 0.5000000 0.3600000), wk = 0.0024272 k( 351) = ( -0.5000000 0.5000000 0.3400000), wk = 0.0024272 k( 352) = ( -0.5000000 0.5000000 0.3200000), wk = 0.0024272 k( 353) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024272 k( 354) = ( -0.5000000 0.5000000 0.2800000), wk = 0.0024272 k( 355) = ( -0.5000000 0.5000000 0.2600000), wk = 0.0024272 k( 356) = ( -0.5000000 0.5000000 0.2400000), wk = 0.0024272 k( 357) = ( -0.5000000 0.5000000 0.2200000), wk = 0.0024272 k( 358) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024272 k( 359) = ( -0.5000000 0.5000000 0.1800000), wk = 0.0024272 k( 360) = ( -0.5000000 0.5000000 0.1600000), wk = 0.0024272 k( 361) = ( -0.5000000 0.5000000 0.1400000), wk = 0.0024272 k( 362) = ( -0.5000000 0.5000000 0.1200000), wk = 0.0024272 k( 363) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024272 k( 364) = ( -0.5000000 0.5000000 0.0800000), wk = 0.0024272 k( 365) = ( -0.5000000 0.5000000 0.0600000), wk = 0.0024272 k( 366) = ( -0.5000000 0.5000000 0.0400000), wk = 0.0024272 k( 367) = ( -0.5000000 0.5000000 0.0200000), wk = 0.0024272 k( 368) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 370) = ( -0.0116279 0.0116279 0.5000000), wk = 0.0024272 k( 371) = ( -0.0232558 0.0232558 0.5000000), wk = 0.0024272 k( 372) = ( -0.0348837 0.0348837 0.5000000), wk = 0.0024272 k( 373) = ( -0.0465116 0.0465116 0.5000000), wk = 0.0024272 k( 374) = ( -0.0581395 0.0581395 0.5000000), wk = 0.0024272 k( 375) = ( -0.0697674 0.0697674 0.5000000), wk = 0.0024272 k( 376) = ( -0.0813954 0.0813953 0.5000000), wk = 0.0024272 k( 377) = ( -0.0930233 0.0930233 0.5000000), wk = 0.0024272 k( 378) = ( -0.1046512 0.1046512 0.5000000), wk = 0.0024272 k( 379) = ( -0.1162791 0.1162791 0.5000000), wk = 0.0024272 k( 380) = ( -0.1279070 0.1279070 0.5000000), wk = 0.0024272 k( 381) = ( -0.1395349 0.1395349 0.5000000), wk = 0.0024272 k( 382) = ( -0.1511628 0.1511628 0.5000000), wk = 0.0024272 k( 383) = ( -0.1627907 0.1627907 0.5000000), wk = 0.0024272 k( 384) = ( -0.1744186 0.1744186 0.5000000), wk = 0.0024272 k( 385) = ( -0.1860465 0.1860465 0.5000000), wk = 0.0024272 k( 386) = ( -0.1976744 0.1976744 0.5000000), wk = 0.0024272 k( 387) = ( -0.2093023 0.2093023 0.5000000), wk = 0.0024272 k( 388) = ( -0.2209302 0.2209302 0.5000000), wk = 0.0024272 k( 389) = ( -0.2325581 0.2325581 0.5000000), wk = 0.0024272 k( 390) = ( -0.2441860 0.2441860 0.5000000), wk = 0.0024272 k( 391) = ( -0.2558140 0.2558140 0.5000000), wk = 0.0024272 k( 392) = ( -0.2674419 0.2674419 0.5000000), wk = 0.0024272 k( 393) = ( -0.2790698 0.2790698 0.5000000), wk = 0.0024272 k( 394) = ( -0.2906977 0.2906977 0.5000000), wk = 0.0024272 k( 395) = ( -0.3023256 0.3023256 0.5000000), wk = 0.0024272 k( 396) = ( -0.3139535 0.3139535 0.5000000), wk = 0.0024272 k( 397) = ( -0.3255814 0.3255814 0.5000000), wk = 0.0024272 k( 398) = ( -0.3372093 0.3372093 0.5000000), wk = 0.0024272 k( 399) = ( -0.3488372 0.3488372 0.5000000), wk = 0.0024272 k( 400) = ( -0.3604651 0.3604651 0.5000000), wk = 0.0024272 k( 401) = ( -0.3720930 0.3720930 0.5000000), wk = 0.0024272 k( 402) = ( -0.3837209 0.3837209 0.5000000), wk = 0.0024272 k( 403) = ( -0.3953488 0.3953488 0.5000000), wk = 0.0024272 k( 404) = ( -0.4069767 0.4069767 0.5000000), wk = 0.0024272 k( 405) = ( -0.4186047 0.4186046 0.5000000), wk = 0.0024272 k( 406) = ( -0.4302326 0.4302326 0.5000000), wk = 0.0024272 k( 407) = ( -0.4418605 0.4418605 0.5000000), wk = 0.0024272 k( 408) = ( -0.4534884 0.4534884 0.5000000), wk = 0.0024272 k( 409) = ( -0.4651163 0.4651163 0.5000000), wk = 0.0024272 k( 410) = ( -0.4767442 0.4767442 0.5000000), wk = 0.0024272 k( 411) = ( -0.4883721 0.4883721 0.5000000), wk = 0.0024272 k( 412) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 Dense grid: 43975 G-vectors FFT dimensions: ( 45, 45, 64) Smooth grid: 25721 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 214, 32) NL pseudopotentials 0.12 Mb ( 107, 76) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1222) G-vector shells 0.00 Mb ( 626) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 214, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 76, 2, 32) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrH2.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.7 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs 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total cpu time spent up to now is 43.9 secs Computing kpt #: 188 total cpu time spent up to now is 44.2 secs Computing kpt #: 189 total cpu time spent up to now is 44.4 secs Computing kpt #: 190 total cpu time spent up to now is 44.7 secs Computing kpt #: 191 total cpu time spent up to now is 44.9 secs Computing kpt #: 192 total cpu time spent up to now is 45.2 secs Computing kpt #: 193 total cpu time spent up to now is 45.4 secs Computing kpt #: 194 total cpu time spent up to now is 45.7 secs Computing kpt #: 195 total cpu time spent up to now is 45.9 secs Computing kpt #: 196 total cpu time spent up to now is 46.1 secs Computing kpt #: 197 total cpu time spent up to now is 46.4 secs Computing kpt #: 198 total cpu time spent up to now is 46.6 secs Computing kpt #: 199 total cpu time spent up to now is 46.9 secs Computing kpt #: 200 total cpu time spent up to now is 47.1 secs Computing kpt #: 201 total cpu time spent up to now is 47.4 secs Computing kpt #: 202 total cpu time spent up to now is 47.6 secs Computing kpt #: 203 total cpu time spent up to now is 47.9 secs Computing kpt #: 204 total cpu time spent up to now is 48.1 secs Computing kpt #: 205 total cpu time spent up to now is 48.4 secs Computing kpt #: 206 total cpu time spent up to now is 48.6 secs Computing kpt #: 207 total cpu time spent up to now is 48.9 secs Computing kpt #: 208 total cpu time spent up to now is 49.1 secs Computing kpt #: 209 total cpu time spent up to now is 49.4 secs Computing kpt #: 210 total cpu time spent up to now is 49.7 secs Computing kpt #: 211 total cpu time spent up to now is 49.9 secs Computing kpt #: 212 total cpu time spent up to now is 50.2 secs Computing kpt #: 213 total cpu time spent up to now is 50.4 secs Computing kpt #: 214 total cpu time spent up to now is 50.7 secs Computing kpt #: 215 total cpu time spent up to now is 50.9 secs Computing kpt #: 216 total cpu time spent up to now is 51.2 secs Computing kpt #: 217 total cpu time spent up to now is 51.4 secs Computing kpt #: 218 total cpu time spent up to now is 51.7 secs Computing kpt #: 219 total cpu time spent up to now is 51.9 secs Computing kpt #: 220 total cpu time spent up to now is 52.2 secs Computing kpt #: 221 total cpu time spent up to now is 52.4 secs Computing kpt #: 222 total cpu time spent up to now is 52.7 secs Computing kpt #: 223 total cpu time spent up to now is 52.9 secs Computing kpt #: 224 total cpu time spent up to now is 53.2 secs Computing kpt #: 225 total cpu time spent up to now is 53.4 secs Computing kpt #: 226 total cpu time spent up to now is 53.7 secs Computing kpt #: 227 total cpu time spent up to now is 53.9 secs Computing kpt #: 228 total cpu time spent up to now is 54.2 secs Computing kpt #: 229 total cpu time spent up to now is 54.4 secs Computing kpt #: 230 total cpu time spent up to now is 54.7 secs Computing kpt #: 231 total cpu time spent up to now is 54.9 secs Computing kpt #: 232 total cpu time spent up to now is 55.2 secs Computing kpt #: 233 total cpu time spent up to now is 55.4 secs Computing kpt #: 234 total cpu time spent up to now is 55.6 secs Computing kpt #: 235 total cpu time spent up to now is 55.9 secs Computing kpt #: 236 total cpu time spent up to now is 56.1 secs Computing kpt #: 237 total cpu time spent up to now is 56.3 secs Computing kpt #: 238 total cpu time spent up to now is 56.5 secs Computing kpt #: 239 total cpu time spent up to now is 56.8 secs Computing kpt #: 240 total cpu time spent up to now is 57.0 secs Computing kpt #: 241 total cpu time spent up to now is 57.3 secs Computing kpt #: 242 total cpu time spent up to now is 57.5 secs Computing kpt #: 243 total cpu time spent up to now is 57.7 secs Computing kpt #: 244 total cpu time spent up to now is 57.9 secs Computing kpt #: 245 total cpu time spent up to now is 58.1 secs Computing kpt #: 246 total cpu time spent up to now is 58.3 secs Computing kpt #: 247 total cpu time spent up to now is 58.5 secs Computing kpt #: 248 total cpu time spent up to now is 58.7 secs Computing kpt #: 249 total cpu time spent up to now is 58.9 secs Computing kpt #: 250 total cpu time spent up to now is 59.1 secs Computing kpt #: 251 total cpu time spent up to now is 59.2 secs Computing kpt #: 252 total cpu time spent up to now is 59.4 secs Computing kpt #: 253 total cpu time spent up to now is 59.6 secs Computing kpt #: 254 total cpu time spent up to now is 59.8 secs Computing kpt #: 255 total cpu time spent up to now is 60.0 secs Computing kpt #: 256 total cpu time spent up to now is 60.2 secs Computing kpt #: 257 total cpu time spent up to now is 60.4 secs Computing kpt #: 258 total cpu time spent up to now is 60.6 secs Computing kpt #: 259 total cpu time spent up to now is 60.8 secs Computing kpt #: 260 total cpu time spent up to now is 61.0 secs Computing kpt #: 261 total cpu time spent up to now is 61.2 secs Computing kpt #: 262 total cpu time spent up to now is 61.4 secs Computing kpt #: 263 total cpu time spent up to now is 61.6 secs Computing kpt #: 264 total cpu time spent up to now is 61.8 secs Computing kpt #: 265 total cpu time spent up to now is 62.0 secs Computing kpt #: 266 total cpu time spent up to now is 62.2 secs Computing kpt #: 267 total cpu time spent up to now is 62.4 secs Computing kpt #: 268 total cpu time spent up to now is 62.6 secs Computing kpt #: 269 total cpu time spent up to now is 62.8 secs Computing kpt #: 270 total cpu time spent up to now is 63.0 secs Computing kpt #: 271 total cpu time spent up to now is 63.2 secs Computing kpt #: 272 total cpu time spent up to now is 63.4 secs Computing kpt #: 273 total cpu time spent up to now is 63.6 secs Computing kpt #: 274 total cpu time spent up to now is 63.8 secs Computing kpt #: 275 total cpu time spent up to now is 64.0 secs Computing kpt #: 276 total cpu time spent up to now is 64.3 secs Computing kpt #: 277 total cpu time spent up to now is 64.5 secs Computing kpt #: 278 total cpu time spent up to now is 64.8 secs Computing kpt #: 279 total cpu time spent up to now is 65.0 secs Computing kpt #: 280 total cpu time spent up to now is 65.2 secs Computing kpt #: 281 total cpu time spent up to now is 65.4 secs Computing kpt #: 282 total cpu time spent up to now is 65.6 secs Computing kpt #: 283 total cpu time spent up to now is 65.8 secs Computing kpt #: 284 total cpu time spent up to now is 66.0 secs Computing kpt #: 285 total cpu time spent up to now is 66.2 secs Computing kpt #: 286 total cpu time spent up to now is 66.4 secs Computing kpt #: 287 total cpu time spent up to now is 66.6 secs Computing kpt #: 288 total cpu time spent up to now is 66.9 secs Computing kpt #: 289 total cpu time spent up to now is 67.1 secs Computing kpt #: 290 total cpu time spent up to now is 67.3 secs Computing kpt #: 291 total cpu time spent up to now is 67.6 secs Computing kpt #: 292 total cpu time spent up to now is 67.8 secs Computing kpt #: 293 total cpu time spent up to now is 68.0 secs Computing kpt #: 294 total cpu time spent up to now is 68.2 secs Computing kpt #: 295 total cpu time spent up to now is 68.4 secs Computing kpt #: 296 total cpu time spent up to now is 68.6 secs Computing kpt #: 297 total cpu time spent up to now is 68.8 secs Computing kpt #: 298 total cpu time spent up to now is 69.0 secs Computing kpt #: 299 total cpu time spent up to now is 69.2 secs Computing kpt #: 300 total cpu time spent up to now is 69.4 secs Computing kpt #: 301 total cpu time spent up to now is 69.6 secs Computing kpt #: 302 total cpu time spent up to now is 69.8 secs Computing kpt #: 303 total cpu time spent up to now is 70.0 secs Computing kpt #: 304 total cpu time spent up to now is 70.2 secs Computing kpt #: 305 total cpu time spent up to now is 70.5 secs Computing kpt #: 306 total cpu time spent up to now is 70.7 secs Computing kpt #: 307 total cpu time spent up to now is 71.0 secs Computing kpt #: 308 total cpu time spent up to now is 71.2 secs Computing kpt #: 309 total cpu time spent up to now is 71.5 secs Computing kpt #: 310 total cpu time spent up to now is 71.7 secs Computing kpt #: 311 total cpu time spent up to now is 71.9 secs Computing kpt #: 312 total cpu time spent up to now is 72.2 secs Computing kpt #: 313 total cpu time spent up to now is 72.4 secs Computing kpt #: 314 total cpu time spent up to now is 72.7 secs Computing kpt #: 315 total cpu time spent up to now is 72.9 secs Computing kpt #: 316 total cpu time spent up to now is 73.2 secs Computing kpt #: 317 total cpu time spent up to now is 73.4 secs Computing kpt #: 318 total cpu time spent up to now is 73.7 secs Computing kpt #: 319 total cpu time spent up to now is 73.9 secs Computing kpt #: 320 total cpu time spent up to now is 74.1 secs Computing kpt #: 321 total cpu time spent up to now is 74.4 secs Computing kpt #: 322 total cpu time spent up to now is 74.6 secs Computing kpt #: 323 total cpu time spent up to now is 74.9 secs Computing kpt #: 324 total cpu time spent up to now is 75.1 secs Computing kpt #: 325 total cpu time spent up to now is 75.3 secs Computing kpt #: 326 total cpu time spent up to now is 75.6 secs Computing kpt #: 327 total cpu time spent up to now is 75.8 secs Computing kpt #: 328 total cpu time spent up to now is 76.0 secs Computing kpt #: 329 total cpu time spent up to now is 76.3 secs Computing kpt #: 330 total cpu time spent up to now is 76.5 secs Computing kpt #: 331 total cpu time spent up to now is 76.7 secs Computing kpt #: 332 total cpu time spent up to now is 77.0 secs Computing kpt #: 333 total cpu time spent up to now is 77.2 secs Computing kpt #: 334 total cpu time spent up to now is 77.4 secs Computing kpt #: 335 total cpu time spent up to now is 77.7 secs Computing kpt #: 336 total cpu time spent up to now is 77.9 secs Computing kpt #: 337 total cpu time spent up to now is 78.2 secs Computing kpt #: 338 total cpu time spent up to now is 78.4 secs Computing kpt #: 339 total cpu time spent up to now is 78.7 secs Computing kpt #: 340 total cpu time spent up to now is 78.9 secs Computing kpt #: 341 total cpu time spent up to now is 79.2 secs Computing kpt #: 342 total cpu time spent up to now is 79.4 secs Computing kpt #: 343 total cpu time spent up to now is 79.7 secs Computing kpt #: 344 total cpu time spent up to now is 79.9 secs Computing kpt #: 345 total cpu time spent up to now is 80.2 secs Computing kpt #: 346 total cpu time spent up to now is 80.4 secs Computing kpt #: 347 total cpu time spent up to now is 80.7 secs Computing kpt #: 348 total cpu time spent up to now is 80.9 secs Computing kpt #: 349 total cpu time spent up to now is 81.2 secs Computing kpt #: 350 total cpu time spent up to now is 81.4 secs Computing kpt #: 351 total cpu time spent up to now is 81.6 secs Computing kpt #: 352 total cpu time spent up to now is 81.9 secs Computing kpt #: 353 total cpu time spent up to now is 82.1 secs Computing kpt #: 354 total cpu time spent up to now is 82.3 secs Computing kpt #: 355 total cpu time spent up to now is 82.5 secs Computing kpt #: 356 total cpu time spent up to now is 82.7 secs Computing kpt #: 357 total cpu time spent up to now is 82.9 secs Computing kpt #: 358 total cpu time spent up to now is 83.2 secs Computing kpt #: 359 total cpu time spent up to now is 83.4 secs Computing kpt #: 360 total cpu time spent up to now is 83.6 secs Computing kpt #: 361 total cpu time spent up to now is 83.8 secs Computing kpt #: 362 total cpu time spent up to now is 84.0 secs Computing kpt #: 363 total cpu time spent up to now is 84.2 secs Computing kpt #: 364 total cpu time spent up to now is 84.4 secs Computing kpt #: 365 total cpu time spent up to now is 84.6 secs Computing kpt #: 366 total cpu time spent up to now is 84.8 secs Computing kpt #: 367 total cpu time spent up to now is 85.0 secs Computing kpt #: 368 total cpu time spent up to now is 85.1 secs Computing kpt #: 369 total cpu time spent up to now is 85.4 secs Computing kpt #: 370 total cpu time spent up to now is 85.6 secs Computing kpt #: 371 total cpu time spent up to now is 85.9 secs Computing kpt #: 372 total cpu time spent up to now is 86.1 secs Computing kpt #: 373 total cpu time spent up to now is 86.4 secs Computing kpt #: 374 total cpu time spent up to now is 86.6 secs Computing kpt #: 375 total cpu time spent up to now is 86.9 secs Computing kpt #: 376 total cpu time spent up to now is 87.1 secs Computing kpt #: 377 total cpu time spent up to now is 87.4 secs Computing kpt #: 378 total cpu time spent up to now is 87.6 secs Computing kpt #: 379 total cpu time spent up to now is 87.9 secs Computing kpt #: 380 total cpu time spent up to now is 88.1 secs Computing kpt #: 381 total cpu time spent up to now is 88.4 secs Computing kpt #: 382 total cpu time spent up to now is 88.7 secs Computing kpt #: 383 total cpu time spent up to now is 88.9 secs Computing kpt #: 384 total cpu time spent up to now is 89.2 secs Computing kpt #: 385 total cpu time spent up to now is 89.4 secs Computing kpt #: 386 total cpu time spent up to now is 89.7 secs Computing kpt #: 387 total cpu time spent up to now is 89.9 secs Computing kpt #: 388 total cpu time spent up to now is 90.2 secs Computing kpt #: 389 total cpu time spent up to now is 90.4 secs Computing kpt #: 390 total cpu time spent up to now is 90.6 secs Computing kpt #: 391 total cpu time spent up to now is 90.9 secs Computing kpt #: 392 total cpu time spent up to now is 91.1 secs Computing kpt #: 393 total cpu time spent up to now is 91.3 secs Computing kpt #: 394 total cpu time spent up to now is 91.5 secs Computing kpt #: 395 total cpu time spent up to now is 91.7 secs Computing kpt #: 396 total cpu time spent up to now is 92.0 secs Computing kpt #: 397 total cpu time spent up to now is 92.2 secs Computing kpt #: 398 total cpu time spent up to now is 92.4 secs Computing kpt #: 399 total cpu time spent up to now is 92.6 secs Computing kpt #: 400 total cpu time spent up to now is 92.8 secs Computing kpt #: 401 total cpu time spent up to now is 93.0 secs Computing kpt #: 402 total cpu time spent up to now is 93.2 secs Computing kpt #: 403 total cpu time spent up to now is 93.5 secs Computing kpt #: 404 total cpu time spent up to now is 93.7 secs Computing kpt #: 405 total cpu time spent up to now is 93.9 secs Computing kpt #: 406 total cpu time spent up to now is 94.2 secs Computing kpt #: 407 total cpu time spent up to now is 94.4 secs Computing kpt #: 408 total cpu time spent up to now is 94.6 secs Computing kpt #: 409 total cpu time spent up to now is 94.9 secs Computing kpt #: 410 total cpu time spent up to now is 95.2 secs Computing kpt #: 411 total cpu time spent up to now is 95.4 secs Computing kpt #: 412 total cpu time spent up to now is 95.6 secs ethr = 4.17E-08, avg # of iterations = 21.0 total cpu time spent up to now is 95.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3237 PWs) bands (ev): -28.8671 -28.8671 -28.8073 -28.8073 -11.8041 -11.8041 -11.5309 -11.5309 -10.7344 -10.7344 -10.4210 -10.4210 -10.3887 -10.3887 -10.3069 -10.3069 0.3492 0.3492 2.1433 2.1433 3.7880 3.7880 4.6164 4.6164 8.8592 8.8592 8.8864 8.8864 9.6957 9.6957 10.1336 10.1336 k = 0.0061 0.0116-0.0000 ( 3239 PWs) bands (ev): -28.8671 -28.8671 -28.8073 -28.8073 -11.8040 -11.8040 -11.5311 -11.5311 -10.7346 -10.7346 -10.4211 -10.4211 -10.3891 -10.3891 -10.3076 -10.3076 0.3516 0.3516 2.1462 2.1462 3.7882 3.7882 4.6165 4.6165 8.8600 8.8600 8.8876 8.8876 9.6887 9.6887 10.1275 10.1275 k = 0.0123 0.0233-0.0000 ( 3235 PWs) bands (ev): -28.8669 -28.8669 -28.8072 -28.8072 -11.8040 -11.8040 -11.5319 -11.5319 -10.7350 -10.7350 -10.4214 -10.4214 -10.3904 -10.3904 -10.3095 -10.3095 0.3588 0.3588 2.1546 2.1546 3.7886 3.7886 4.6169 4.6169 8.8621 8.8621 8.8909 8.8909 9.6684 9.6684 10.1122 10.1122 k = 0.0184 0.0349-0.0000 ( 3239 PWs) bands (ev): -28.8665 -28.8665 -28.8071 -28.8071 -11.8040 -11.8040 -11.5331 -11.5331 -10.7358 -10.7358 -10.4218 -10.4218 -10.3925 -10.3925 -10.3126 -10.3126 0.3709 0.3709 2.1686 2.1686 3.7892 3.7892 4.6174 4.6174 8.8657 8.8657 8.8964 8.8964 9.6368 9.6368 10.0901 10.0901 k = 0.0246 0.0466-0.0000 ( 3231 PWs) bands (ev): -28.8661 -28.8661 -28.8070 -28.8070 -11.8039 -11.8039 -11.5348 -11.5348 -10.7368 -10.7368 -10.4225 -10.4225 -10.3953 -10.3953 -10.3170 -10.3170 0.3876 0.3876 2.1881 2.1881 3.7902 3.7902 4.6181 4.6181 8.8704 8.8704 8.9040 8.9040 9.5965 9.5965 10.0619 10.0619 k = 0.0307 0.0582-0.0000 ( 3223 PWs) bands (ev): -28.8655 -28.8655 -28.8068 -28.8068 -11.8038 -11.8038 -11.5370 -11.5370 -10.7381 -10.7381 -10.4234 -10.4234 -10.3989 -10.3989 -10.3225 -10.3225 0.4091 0.4091 2.2131 2.2131 3.7913 3.7913 4.6188 4.6188 8.8760 8.8760 8.9136 8.9136 9.5507 9.5507 10.0281 10.0281 k = 0.0369 0.0699-0.0000 ( 3219 PWs) bands (ev): -28.8648 -28.8648 -28.8066 -28.8066 -11.8037 -11.8037 -11.5397 -11.5397 -10.7398 -10.7398 -10.4247 -10.4247 -10.4031 -10.4031 -10.3291 -10.3291 0.4352 0.4352 2.2433 2.2433 3.7928 3.7928 4.6194 4.6194 8.8823 8.8823 8.9252 8.9252 9.5022 9.5022 9.9888 9.9888 k = 0.0430 0.0815-0.0000 ( 3219 PWs) bands (ev): -28.8640 -28.8640 -28.8063 -28.8063 -11.8037 -11.8037 -11.5429 -11.5429 -10.7417 -10.7417 -10.4263 -10.4263 -10.4078 -10.4078 -10.3367 -10.3367 0.4658 0.4658 2.2788 2.2788 3.7944 3.7944 4.6197 4.6197 8.8888 8.8888 8.9384 8.9384 9.4540 9.4540 9.9447 9.9447 k = 0.0492 0.0932-0.0000 ( 3220 PWs) bands (ev): -28.8631 -28.8631 -28.8060 -28.8060 -11.8036 -11.8036 -11.5466 -11.5466 -10.7439 -10.7439 -10.4285 -10.4285 -10.4128 -10.4128 -10.3453 -10.3453 0.5008 0.5008 2.3192 2.3192 3.7962 3.7962 4.6196 4.6196 8.8947 8.8947 8.9532 8.9532 9.4085 9.4085 9.8962 9.8962 k = 0.0553 0.1048-0.0000 ( 3220 PWs) bands (ev): -28.8620 -28.8620 -28.8056 -28.8056 -11.8036 -11.8036 -11.5508 -11.5508 -10.7464 -10.7464 -10.4317 -10.4317 -10.4176 -10.4176 -10.3547 -10.3547 0.5400 0.5400 2.3645 2.3645 3.7983 3.7983 4.6189 4.6189 8.8993 8.8993 8.9691 8.9691 9.3684 9.3684 9.8440 9.8440 k = 0.0615 0.1165-0.0000 ( 3224 PWs) bands (ev): -28.8609 -28.8609 -28.8053 -28.8053 -11.8036 -11.8036 -11.5554 -11.5554 -10.7492 -10.7492 -10.4363 -10.4363 -10.4218 -10.4218 -10.3647 -10.3647 0.5833 0.5833 2.4143 2.4143 3.8006 3.8006 4.6174 4.6174 8.9019 8.9019 8.9858 8.9858 9.3356 9.3356 9.7887 9.7887 k = 0.0676 0.1281-0.0000 ( 3220 PWs) bands (ev): -28.8596 -28.8596 -28.8049 -28.8049 -11.8037 -11.8037 -11.5605 -11.5605 -10.7522 -10.7522 -10.4425 -10.4425 -10.4253 -10.4253 -10.3753 -10.3753 0.6306 0.6306 2.4686 2.4686 3.8030 3.8030 4.6150 4.6150 8.9018 8.9018 9.0027 9.0027 9.3121 9.3121 9.7310 9.7310 k = 0.0738 0.1398-0.0000 ( 3220 PWs) bands (ev): -28.8583 -28.8583 -28.8045 -28.8045 -11.8038 -11.8038 -11.5660 -11.5660 -10.7555 -10.7555 -10.4498 -10.4498 -10.4285 -10.4285 -10.3861 -10.3861 0.6817 0.6817 2.5270 2.5270 3.8055 3.8055 4.6113 4.6113 8.8989 8.8989 9.0191 9.0191 9.2988 9.2988 9.6714 9.6714 k = 0.0799 0.1514-0.0000 ( 3212 PWs) bands (ev): -28.8568 -28.8568 -28.8041 -28.8041 -11.8039 -11.8039 -11.5720 -11.5720 -10.7591 -10.7591 -10.4582 -10.4582 -10.4316 -10.4316 -10.3969 -10.3969 0.7364 0.7364 2.5892 2.5892 3.8082 3.8082 4.6062 4.6062 8.8939 8.8939 9.0339 9.0339 9.2958 9.2958 9.6106 9.6106 k = 0.0861 0.1631-0.0000 ( 3218 PWs) bands (ev): -28.8553 -28.8553 -28.8036 -28.8036 -11.8042 -11.8042 -11.5784 -11.5784 -10.7628 -10.7628 -10.4673 -10.4673 -10.4352 -10.4352 -10.4074 -10.4074 0.7945 0.7945 2.6549 2.6549 3.8110 3.8110 4.5995 4.5995 8.8880 8.8880 9.0460 9.0460 9.3023 9.3023 9.5491 9.5491 k = 0.0922 0.1747-0.0000 ( 3222 PWs) bands (ev): -28.8536 -28.8536 -28.8032 -28.8032 -11.8045 -11.8045 -11.5853 -11.5853 -10.7667 -10.7667 -10.4772 -10.4772 -10.4397 -10.4397 -10.4168 -10.4168 0.8559 0.8559 2.7238 2.7238 3.8138 3.8138 4.5911 4.5911 8.8832 8.8832 9.0539 9.0539 9.3170 9.3170 9.4875 9.4875 k = 0.0983 0.1864-0.0000 ( 3228 PWs) bands (ev): -28.8519 -28.8519 -28.8027 -28.8027 -11.8049 -11.8049 -11.5925 -11.5925 -10.7708 -10.7708 -10.4879 -10.4879 -10.4457 -10.4457 -10.4245 -10.4245 0.9203 0.9203 2.7955 2.7955 3.8167 3.8167 4.5808 4.5808 8.8810 8.8810 9.0561 9.0561 9.3378 9.3378 9.4270 9.4270 k = 0.1045 0.1980-0.0000 ( 3230 PWs) bands (ev): -28.8502 -28.8502 -28.8023 -28.8023 -11.8054 -11.8054 -11.6001 -11.6001 -10.7749 -10.7749 -10.4993 -10.4993 -10.4532 -10.4532 -10.4304 -10.4304 0.9874 0.9874 2.8697 2.8697 3.8196 3.8196 4.5684 4.5684 8.8829 8.8829 9.0511 9.0511 9.3492 9.3492 9.3825 9.3825 k = 0.1106 0.2097-0.0000 ( 3238 PWs) bands (ev): -28.8484 -28.8484 -28.8018 -28.8018 -11.8060 -11.8060 -11.6081 -11.6081 -10.7791 -10.7791 -10.5114 -10.5114 -10.4615 -10.4615 -10.4348 -10.4348 1.0572 1.0572 2.9460 2.9460 3.8226 3.8226 4.5540 4.5540 8.8899 8.8899 9.0385 9.0385 9.2994 9.2994 9.4052 9.4052 k = 0.1168 0.2213-0.0000 ( 3224 PWs) bands (ev): -28.8465 -28.8465 -28.8014 -28.8014 -11.8067 -11.8067 -11.6164 -11.6164 -10.7833 -10.7833 -10.5241 -10.5241 -10.4700 -10.4700 -10.4386 -10.4386 1.1294 1.1294 3.0238 3.0238 3.8254 3.8254 4.5375 4.5375 8.9029 8.9029 9.0185 9.0185 9.2413 9.2413 9.4419 9.4419 k = 0.1229 0.2330-0.0000 ( 3228 PWs) bands (ev): -28.8445 -28.8445 -28.8010 -28.8010 -11.8075 -11.8075 -11.6249 -11.6249 -10.7874 -10.7874 -10.5374 -10.5374 -10.4782 -10.4782 -10.4421 -10.4421 1.2037 1.2037 3.1028 3.1028 3.8282 3.8282 4.5189 4.5189 8.9220 8.9220 8.9925 8.9925 9.1839 9.1839 9.4832 9.4832 k = 0.1291 0.2446-0.0000 ( 3228 PWs) bands (ev): -28.8425 -28.8425 -28.8006 -28.8006 -11.8084 -11.8084 -11.6337 -11.6337 -10.7914 -10.7914 -10.5510 -10.5510 -10.4861 -10.4861 -10.4455 -10.4455 1.2799 1.2799 3.1825 3.1825 3.8309 3.8309 4.4982 4.4982 8.9455 8.9455 8.9645 8.9645 9.1281 9.1281 9.5282 9.5282 k = 0.1352 0.2562-0.0000 ( 3224 PWs) bands (ev): -28.8405 -28.8405 -28.8002 -28.8002 -11.8093 -11.8093 -11.6428 -11.6428 -10.7952 -10.7952 -10.5649 -10.5649 -10.4935 -10.4935 -10.4489 -10.4489 1.3578 1.3578 3.2624 3.2624 3.8335 3.8335 4.4756 4.4756 8.9275 8.9275 8.9821 8.9821 9.0745 9.0745 9.5013 9.5013 k = 0.1414 0.2679-0.0000 ( 3220 PWs) bands (ev): -28.8385 -28.8385 -28.7999 -28.7999 -11.8103 -11.8103 -11.6520 -11.6520 -10.7988 -10.7988 -10.5789 -10.5789 -10.5005 -10.5005 -10.4523 -10.4523 1.4372 1.4372 3.3420 3.3420 3.8358 3.8358 4.4511 4.4511 8.8946 8.8946 9.0134 9.0134 9.0300 9.0300 9.3899 9.3899 k = 0.1475 0.2795-0.0000 ( 3220 PWs) bands (ev): -28.8364 -28.8364 -28.7996 -28.7996 -11.8113 -11.8113 -11.6614 -11.6614 -10.8021 -10.8021 -10.5929 -10.5929 -10.5071 -10.5071 -10.4558 -10.4558 1.5178 1.5178 3.4206 3.4206 3.8381 3.8381 4.4250 4.4250 8.8620 8.8620 8.9716 8.9716 9.0676 9.0676 9.2805 9.2805 k = 0.1537 0.2912-0.0000 ( 3222 PWs) bands (ev): -28.8343 -28.8343 -28.7993 -28.7993 -11.8124 -11.8124 -11.6708 -11.6708 -10.8050 -10.8050 -10.6069 -10.6069 -10.5133 -10.5133 -10.4593 -10.4593 1.5993 1.5993 3.4978 3.4978 3.8401 3.8401 4.3973 4.3973 8.8310 8.8310 8.9249 8.9249 9.1160 9.1160 9.1759 9.1759 k = 0.1598 0.3028-0.0000 ( 3220 PWs) bands (ev): -28.8323 -28.8323 -28.7991 -28.7991 -11.8134 -11.8134 -11.6803 -11.6803 -10.8076 -10.8076 -10.6206 -10.6206 -10.5191 -10.5191 -10.4630 -10.4630 1.6816 1.6816 3.5727 3.5727 3.8422 3.8422 4.3684 4.3684 8.8025 8.8025 8.8807 8.8807 9.0647 9.0647 9.1793 9.1793 k = 0.1660 0.3145-0.0000 ( 3216 PWs) bands (ev): -28.8302 -28.8302 -28.7989 -28.7989 -11.8144 -11.8144 -11.6897 -11.6897 -10.8097 -10.8097 -10.6341 -10.6341 -10.5246 -10.5246 -10.4668 -10.4668 1.7643 1.7643 3.6446 3.6446 3.8446 3.8446 4.3383 4.3383 8.7767 8.7767 8.8392 8.8392 8.9639 8.9639 9.2402 9.2402 k = 0.1721 0.3261-0.0000 ( 3220 PWs) bands (ev): -28.8281 -28.8281 -28.7988 -28.7988 -11.8153 -11.8153 -11.6992 -11.6992 -10.8113 -10.8113 -10.6473 -10.6473 -10.5297 -10.5297 -10.4706 -10.4706 1.8472 1.8472 3.7117 3.7117 3.8482 3.8482 4.3074 4.3074 8.7537 8.7537 8.8006 8.8006 8.8658 8.8658 9.3062 9.3062 k = 0.1782 0.3378-0.0000 ( 3212 PWs) bands (ev): -28.8261 -28.8261 -28.7987 -28.7987 -11.8161 -11.8161 -11.7085 -11.7085 -10.8124 -10.8124 -10.6601 -10.6601 -10.5346 -10.5346 -10.4746 -10.4746 1.9300 1.9300 3.7699 3.7699 3.8567 3.8567 4.2760 4.2760 8.7317 8.7317 8.7599 8.7599 8.7780 8.7780 9.3759 9.3759 k = 0.1844 0.3494-0.0000 ( 3210 PWs) bands (ev): -28.8240 -28.8240 -28.7987 -28.7987 -11.8168 -11.8168 -11.7176 -11.7176 -10.8130 -10.8130 -10.6726 -10.6726 -10.5391 -10.5391 -10.4787 -10.4787 2.0125 2.0125 3.8070 3.8070 3.8819 3.8819 4.2442 4.2442 8.6718 8.6718 8.7167 8.7167 8.7406 8.7406 9.4481 9.4481 k = 0.1905 0.3611-0.0000 ( 3218 PWs) bands (ev): -28.8220 -28.8220 -28.7988 -28.7988 -11.8173 -11.8173 -11.7265 -11.7265 -10.8130 -10.8130 -10.6845 -10.6845 -10.5435 -10.5435 -10.4829 -10.4829 2.0944 2.0944 3.8194 3.8194 3.9265 3.9265 4.2123 4.2123 8.5847 8.5847 8.6938 8.6938 8.7199 8.7199 9.5218 9.5218 k = 0.1967 0.3727-0.0000 ( 3224 PWs) bands (ev): -28.8201 -28.8201 -28.7989 -28.7989 -11.8177 -11.8177 -11.7352 -11.7352 -10.8125 -10.8125 -10.6961 -10.6961 -10.5475 -10.5475 -10.4871 -10.4871 2.1753 2.1753 3.8217 3.8217 3.9754 3.9754 4.1808 4.1808 8.5002 8.5002 8.6702 8.6702 8.7070 8.7070 9.5961 9.5961 k = 0.2028 0.3844-0.0000 ( 3232 PWs) bands (ev): -28.8182 -28.8182 -28.7991 -28.7991 -11.8177 -11.8177 -11.7436 -11.7436 -10.8113 -10.8113 -10.7071 -10.7071 -10.5513 -10.5513 -10.4915 -10.4915 2.2550 2.2550 3.8204 3.8204 4.0210 4.0210 4.1505 4.1505 8.4195 8.4195 8.6481 8.6481 8.6983 8.6983 9.6698 9.6698 k = 0.2090 0.3960-0.0000 ( 3240 PWs) bands (ev): -28.8163 -28.8163 -28.7994 -28.7994 -11.8175 -11.8175 -11.7516 -11.7516 -10.8096 -10.8096 -10.7176 -10.7176 -10.5549 -10.5549 -10.4959 -10.4959 2.3331 2.3331 3.8170 3.8170 4.0581 4.0581 4.1247 4.1247 8.3430 8.3430 8.6288 8.6288 8.6918 8.6918 9.7416 9.7416 k = 0.2151 0.4077-0.0000 ( 3228 PWs) bands (ev): -28.8144 -28.8144 -28.7997 -28.7997 -11.8170 -11.8170 -11.7593 -11.7593 -10.8074 -10.8074 -10.7275 -10.7275 -10.5582 -10.5582 -10.5004 -10.5004 2.4093 2.4093 3.8123 3.8123 4.0674 4.0674 4.1222 4.1222 8.2709 8.2709 8.6125 8.6125 8.6865 8.6865 9.8103 9.8103 k = 0.2213 0.4193-0.0000 ( 3228 PWs) bands (ev): -28.8127 -28.8127 -28.8002 -28.8002 -11.8162 -11.8162 -11.7665 -11.7665 -10.8045 -10.8045 -10.7369 -10.7369 -10.5614 -10.5614 -10.5050 -10.5050 2.4833 2.4833 3.8061 3.8061 4.0458 4.0458 4.1456 4.1456 8.2034 8.2034 8.5994 8.5994 8.6815 8.6815 9.8743 9.8743 k = 0.2274 0.4310-0.0000 ( 3230 PWs) bands (ev): -28.8110 -28.8110 -28.8007 -28.8007 -11.8151 -11.8151 -11.7733 -11.7733 -10.8011 -10.8011 -10.7457 -10.7457 -10.5643 -10.5643 -10.5096 -10.5096 2.5548 2.5548 3.7987 3.7987 4.0184 4.0184 4.1694 4.1694 8.1407 8.1407 8.5895 8.5895 8.6759 8.6759 9.9321 9.9321 k = 0.2336 0.4426-0.0000 ( 3226 PWs) bands (ev): -28.8093 -28.8093 -28.8013 -28.8013 -11.8136 -11.8136 -11.7796 -11.7796 -10.7972 -10.7972 -10.7538 -10.7538 -10.5670 -10.5670 -10.5142 -10.5142 2.6232 2.6232 3.7900 3.7900 3.9907 3.9907 4.1885 4.1885 8.0830 8.0830 8.5830 8.5830 8.6690 8.6690 9.9820 9.9820 k = 0.2397 0.4543-0.0000 ( 3218 PWs) bands (ev): -28.8077 -28.8077 -28.8019 -28.8019 -11.8119 -11.8119 -11.7853 -11.7853 -10.7928 -10.7928 -10.7614 -10.7614 -10.5695 -10.5695 -10.5189 -10.5189 2.6884 2.6884 3.7800 3.7800 3.9635 3.9635 4.2017 4.2017 8.0304 8.0304 8.5796 8.5796 8.6603 8.6603 10.0226 10.0226 k = 0.2459 0.4659-0.0000 ( 3224 PWs) bands (ev): -28.8062 -28.8062 -28.8026 -28.8026 -11.8099 -11.8099 -11.7904 -11.7904 -10.7880 -10.7880 -10.7682 -10.7682 -10.5717 -10.5717 -10.5236 -10.5236 2.7499 2.7499 3.7688 3.7688 3.9371 3.9371 4.2086 4.2086 7.9830 7.9830 8.5793 8.5793 8.6494 8.6494 10.0523 10.0523 k = 0.2520 0.4775-0.0000 ( 3220 PWs) bands (ev): -28.8048 -28.8048 -28.8035 -28.8035 -11.8079 -11.8079 -11.7945 -11.7945 -10.7831 -10.7831 -10.7740 -10.7740 -10.5738 -10.5738 -10.5282 -10.5282 2.8075 2.8075 3.7562 3.7562 3.9116 3.9116 4.2092 4.2092 7.9410 7.9410 8.5817 8.5817 8.6366 8.6366 10.0705 10.0705 k = 0.2582 0.4892-0.0000 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8035 -28.8035 -11.8067 -11.8067 -11.7969 -11.7969 -10.7820 -10.7820 -10.7749 -10.7749 -10.5756 -10.5756 -10.5329 -10.5329 2.8607 2.8607 3.7423 3.7423 3.8870 3.8870 4.2035 4.2035 7.9043 7.9043 8.5849 8.5849 8.6236 8.6236 10.0770 10.0770 k = 0.2643 0.5008-0.0000 ( 3224 PWs) bands (ev): -28.8053 -28.8053 -28.8022 -28.8022 -11.8077 -11.8077 -11.7963 -11.7963 -10.7861 -10.7861 -10.7694 -10.7694 -10.5771 -10.5771 -10.5375 -10.5375 2.9095 2.9095 3.7271 3.7271 3.8631 3.8631 4.1913 4.1913 7.8732 7.8732 8.5823 8.5823 8.6173 8.6173 10.0727 10.0727 k = 0.2704 0.5125-0.0000 ( 3216 PWs) bands (ev): -28.8063 -28.8063 -28.8010 -28.8010 -11.8101 -11.8101 -11.7935 -11.7935 -10.7902 -10.7902 -10.7629 -10.7629 -10.5784 -10.5784 -10.5420 -10.5420 2.9535 2.9535 3.7107 3.7107 3.8399 3.8399 4.1728 4.1728 7.8477 7.8477 8.5677 8.5677 8.6243 8.6243 10.0592 10.0592 k = 0.2766 0.5241-0.0000 ( 3216 PWs) bands (ev): -28.8074 -28.8074 -28.7999 -28.7999 -11.8126 -11.8126 -11.7896 -11.7896 -10.7938 -10.7938 -10.7559 -10.7559 -10.5794 -10.5794 -10.5464 -10.5464 2.9927 2.9927 3.6929 3.6929 3.8169 3.8169 4.1482 4.1482 7.8277 7.8277 8.5471 8.5471 8.6392 8.6392 10.0387 10.0387 k = 0.2827 0.5358-0.0000 ( 3220 PWs) bands (ev): -28.8086 -28.8086 -28.7988 -28.7988 -11.8149 -11.8149 -11.7852 -11.7852 -10.7968 -10.7968 -10.7486 -10.7486 -10.5802 -10.5802 -10.5507 -10.5507 3.0270 3.0270 3.6740 3.6740 3.7940 3.7940 4.1174 4.1174 7.8133 7.8133 8.5244 8.5244 8.6586 8.6586 10.0137 10.0137 k = 0.2889 0.5474-0.0000 ( 3196 PWs) bands (ev): -28.8098 -28.8098 -28.7979 -28.7979 -11.8168 -11.8168 -11.7804 -11.7804 -10.7990 -10.7990 -10.7409 -10.7409 -10.5806 -10.5806 -10.5548 -10.5548 3.0566 3.0566 3.6539 3.6539 3.7707 3.7707 4.0808 4.0808 7.8046 7.8046 8.5011 8.5011 8.6818 8.6818 9.9866 9.9866 k = 0.2950 0.5591-0.0000 ( 3200 PWs) bands (ev): -28.8111 -28.8111 -28.7970 -28.7970 -11.8184 -11.8184 -11.7752 -11.7752 -10.8006 -10.8006 -10.7330 -10.7330 -10.5806 -10.5806 -10.5587 -10.5587 3.0816 3.0816 3.6327 3.6327 3.7464 3.7464 4.0386 4.0386 7.8014 7.8014 8.4782 8.4782 8.7083 8.7083 9.9599 9.9599 k = 0.3012 0.5707-0.0000 ( 3204 PWs) bands (ev): -28.8125 -28.8125 -28.7962 -28.7962 -11.8196 -11.8196 -11.7698 -11.7698 -10.8016 -10.8016 -10.7250 -10.7250 -10.5803 -10.5803 -10.5624 -10.5624 3.1023 3.1023 3.6104 3.6104 3.7208 3.7208 3.9910 3.9910 7.8038 7.8038 8.4564 8.4564 8.7381 8.7381 9.9356 9.9356 k = 0.3073 0.5824-0.0000 ( 3204 PWs) bands (ev): -28.8139 -28.8139 -28.7955 -28.7955 -11.8205 -11.8205 -11.7641 -11.7641 -10.8019 -10.8019 -10.7170 -10.7170 -10.5794 -10.5794 -10.5658 -10.5658 3.1190 3.1190 3.5872 3.5872 3.6931 3.6931 3.9384 3.9384 7.8116 7.8116 8.4363 8.4363 8.7710 8.7710 9.9156 9.9156 k = 0.3135 0.5940-0.0000 ( 3204 PWs) bands (ev): -28.8153 -28.8153 -28.7949 -28.7949 -11.8211 -11.8211 -11.7583 -11.7583 -10.8016 -10.8016 -10.7089 -10.7089 -10.5781 -10.5781 -10.5689 -10.5689 3.1322 3.1322 3.5631 3.5631 3.6631 3.6631 3.8811 3.8811 7.8249 7.8249 8.4184 8.4184 8.8069 8.8069 9.9014 9.9014 k = 0.3196 0.6057-0.0000 ( 3200 PWs) bands (ev): -28.8168 -28.8168 -28.7943 -28.7943 -11.8214 -11.8214 -11.7523 -11.7523 -10.8006 -10.8006 -10.7010 -10.7010 -10.5761 -10.5761 -10.5716 -10.5716 3.1422 3.1422 3.5382 3.5382 3.6301 3.6301 3.8197 3.8197 7.8434 7.8434 8.4031 8.4031 8.8457 8.8457 9.8942 9.8942 k = 0.3196 0.6057-0.0000 ( 3200 PWs) bands (ev): -28.8168 -28.8168 -28.7943 -28.7943 -11.8214 -11.8214 -11.7523 -11.7523 -10.8006 -10.8006 -10.7010 -10.7010 -10.5761 -10.5761 -10.5716 -10.5716 3.1422 3.1422 3.5382 3.5382 3.6301 3.6301 3.8197 3.8197 7.8434 7.8434 8.4031 8.4031 8.8457 8.8457 9.8942 9.8942 k = 0.3068 0.6057-0.0000 ( 3202 PWs) bands (ev): -28.8161 -28.8161 -28.7946 -28.7946 -11.8213 -11.8213 -11.7550 -11.7550 -10.8012 -10.8012 -10.7046 -10.7046 -10.5770 -10.5770 -10.5703 -10.5703 3.1368 3.1368 3.5498 3.5498 3.6444 3.6444 3.8494 3.8494 7.8345 7.8345 8.4076 8.4076 8.8291 8.8291 9.8935 9.8935 k = 0.2941 0.6057-0.0000 ( 3207 PWs) bands (ev): -28.8155 -28.8155 -28.7948 -28.7948 -11.8211 -11.8211 -11.7576 -11.7576 -10.8017 -10.8017 -10.7082 -10.7082 -10.5774 -10.5774 -10.5688 -10.5688 3.1289 3.1289 3.5618 3.5618 3.6560 3.6560 3.8802 3.8802 7.8267 7.8267 8.4085 8.4085 8.8158 8.8158 9.8899 9.8899 k = 0.2813 0.6057-0.0000 ( 3207 PWs) bands (ev): -28.8149 -28.8149 -28.7951 -28.7951 -11.8209 -11.8209 -11.7602 -11.7602 -10.8021 -10.8021 -10.7118 -10.7118 -10.5775 -10.5775 -10.5671 -10.5671 3.1192 3.1192 3.5740 3.5740 3.6653 3.6653 3.9114 3.9114 7.8201 7.8201 8.4060 8.4060 8.8061 8.8061 9.8859 9.8859 k = 0.2685 0.6057-0.0000 ( 3207 PWs) bands (ev): -28.8143 -28.8143 -28.7954 -28.7954 -11.8207 -11.8207 -11.7627 -11.7627 -10.8025 -10.8025 -10.7155 -10.7155 -10.5772 -10.5772 -10.5652 -10.5652 3.1080 3.1080 3.5863 3.5863 3.6727 3.6727 3.9421 3.9421 7.8142 7.8142 8.4004 8.4004 8.8003 8.8003 9.8833 9.8833 k = 0.2557 0.6057-0.0000 ( 3209 PWs) bands (ev): -28.8137 -28.8137 -28.7958 -28.7958 -11.8204 -11.8204 -11.7651 -11.7651 -10.8028 -10.8028 -10.7193 -10.7193 -10.5765 -10.5765 -10.5632 -10.5632 3.0958 3.0958 3.5987 3.5987 3.6784 3.6784 3.9718 3.9718 7.8091 7.8091 8.3920 8.3920 8.7984 8.7984 9.8837 9.8837 k = 0.2429 0.6057-0.0000 ( 3213 PWs) bands (ev): -28.8131 -28.8131 -28.7961 -28.7961 -11.8200 -11.8200 -11.7675 -11.7675 -10.8031 -10.8031 -10.7230 -10.7230 -10.5754 -10.5754 -10.5611 -10.5611 3.0829 3.0829 3.6111 3.6111 3.6826 3.6826 4.0001 4.0001 7.8046 7.8046 8.3812 8.3812 8.8008 8.8008 9.8878 9.8878 k = 0.2301 0.6057-0.0000 ( 3219 PWs) bands (ev): -28.8126 -28.8126 -28.7965 -28.7965 -11.8196 -11.8196 -11.7698 -11.7698 -10.8033 -10.8033 -10.7269 -10.7269 -10.5741 -10.5741 -10.5589 -10.5589 3.0695 3.0695 3.6233 3.6233 3.6857 3.6857 4.0267 4.0267 7.8005 7.8005 8.3684 8.3684 8.8076 8.8076 9.8960 9.8960 k = 0.2173 0.6057-0.0000 ( 3224 PWs) bands (ev): -28.8120 -28.8120 -28.7969 -28.7969 -11.8192 -11.8192 -11.7721 -11.7721 -10.8034 -10.8034 -10.7307 -10.7307 -10.5724 -10.5724 -10.5567 -10.5567 3.0558 3.0558 3.6353 3.6353 3.6878 3.6878 4.0514 4.0514 7.7966 7.7966 8.3541 8.3541 8.8189 8.8189 9.9084 9.9084 k = 0.2046 0.6057-0.0000 ( 3226 PWs) bands (ev): -28.8115 -28.8115 -28.7972 -28.7972 -11.8187 -11.8187 -11.7743 -11.7743 -10.8034 -10.8034 -10.7345 -10.7345 -10.5706 -10.5706 -10.5545 -10.5545 3.0419 3.0419 3.6469 3.6469 3.6891 3.6891 4.0743 4.0743 7.7930 7.7930 8.3387 8.3387 8.8350 8.8350 9.9248 9.9248 k = 0.1918 0.6057-0.0000 ( 3228 PWs) bands (ev): -28.8110 -28.8110 -28.7976 -28.7976 -11.8182 -11.8182 -11.7765 -11.7765 -10.8033 -10.8033 -10.7383 -10.7383 -10.5685 -10.5685 -10.5523 -10.5523 3.0281 3.0281 3.6581 3.6581 3.6897 3.6897 4.0953 4.0953 7.7894 7.7894 8.3227 8.3227 8.8558 8.8558 9.9447 9.9447 k = 0.1790 0.6057-0.0000 ( 3221 PWs) bands (ev): -28.8105 -28.8105 -28.7981 -28.7981 -11.8176 -11.8176 -11.7786 -11.7786 -10.8031 -10.8031 -10.7420 -10.7420 -10.5663 -10.5663 -10.5501 -10.5501 3.0145 3.0145 3.6684 3.6684 3.6901 3.6901 4.1143 4.1143 7.7859 7.7859 8.3064 8.3064 8.8814 8.8814 9.9676 9.9676 k = 0.1662 0.6057-0.0000 ( 3225 PWs) bands (ev): -28.8101 -28.8101 -28.7985 -28.7985 -11.8170 -11.8170 -11.7807 -11.7807 -10.8028 -10.8028 -10.7458 -10.7458 -10.5639 -10.5639 -10.5480 -10.5480 3.0011 3.0011 3.6767 3.6767 3.6914 3.6914 4.1316 4.1316 7.7823 7.7823 8.2901 8.2901 8.9118 8.9118 9.9929 9.9929 k = 0.1534 0.6057-0.0000 ( 3221 PWs) bands (ev): -28.8096 -28.8096 -28.7989 -28.7989 -11.8163 -11.8163 -11.7827 -11.7827 -10.8024 -10.8024 -10.7494 -10.7494 -10.5615 -10.5615 -10.5460 -10.5460 2.9882 2.9882 3.6808 3.6808 3.6960 3.6960 4.1471 4.1471 7.7788 7.7788 8.2742 8.2742 8.9470 8.9470 10.0200 10.0200 k = 0.1406 0.6057-0.0000 ( 3223 PWs) bands (ev): -28.8091 -28.8091 -28.7993 -28.7993 -11.8156 -11.8156 -11.7847 -11.7847 -10.8019 -10.8019 -10.7530 -10.7530 -10.5590 -10.5590 -10.5442 -10.5442 2.9758 2.9758 3.6810 3.6810 3.7035 3.7035 4.1609 4.1609 7.7753 7.7753 8.2590 8.2590 8.9869 8.9869 10.0481 10.0481 k = 0.1278 0.6057-0.0000 ( 3223 PWs) bands (ev): -28.8087 -28.8087 -28.7998 -28.7998 -11.8148 -11.8148 -11.7866 -11.7866 -10.8012 -10.8012 -10.7565 -10.7565 -10.5565 -10.5565 -10.5425 -10.5425 2.9641 2.9641 3.6797 3.6797 3.7116 3.7116 4.1731 4.1731 7.7719 7.7719 8.2445 8.2445 9.0312 9.0312 10.0765 10.0765 k = 0.1151 0.6057-0.0000 ( 3218 PWs) bands (ev): -28.8082 -28.8082 -28.8002 -28.8002 -11.8140 -11.8140 -11.7885 -11.7885 -10.8005 -10.8005 -10.7599 -10.7599 -10.5540 -10.5540 -10.5410 -10.5410 2.9531 2.9531 3.6779 3.6779 3.7194 3.7194 4.1838 4.1838 7.7685 7.7685 8.2311 8.2311 9.0799 9.0799 10.1045 10.1045 k = 0.1023 0.6057-0.0000 ( 3215 PWs) bands (ev): -28.8077 -28.8077 -28.8007 -28.8007 -11.8132 -11.8132 -11.7903 -11.7903 -10.7995 -10.7995 -10.7632 -10.7632 -10.5516 -10.5516 -10.5397 -10.5397 2.9430 2.9430 3.6758 3.6758 3.7266 3.7266 4.1932 4.1932 7.7653 7.7653 8.2189 8.2189 9.1326 9.1326 10.1315 10.1315 k = 0.0895 0.6057-0.0000 ( 3223 PWs) bands (ev): -28.8073 -28.8073 -28.8011 -28.8011 -11.8123 -11.8123 -11.7921 -11.7921 -10.7985 -10.7985 -10.7663 -10.7663 -10.5493 -10.5493 -10.5386 -10.5386 2.9339 2.9339 3.6737 3.6737 3.7331 3.7331 4.2012 4.2012 7.7623 7.7623 8.2079 8.2079 9.1891 9.1891 10.1568 10.1568 k = 0.0767 0.6057-0.0000 ( 3223 PWs) bands (ev): -28.8069 -28.8069 -28.8015 -28.8015 -11.8113 -11.8113 -11.7938 -11.7938 -10.7973 -10.7973 -10.7693 -10.7693 -10.5472 -10.5472 -10.5377 -10.5377 2.9258 2.9258 3.6717 3.6717 3.7389 3.7389 4.2081 4.2081 7.7596 7.7596 8.1983 8.1983 9.2488 9.2488 10.1797 10.1797 k = 0.0639 0.6057-0.0000 ( 3223 PWs) bands (ev): -28.8064 -28.8064 -28.8020 -28.8020 -11.8104 -11.8104 -11.7954 -11.7954 -10.7961 -10.7961 -10.7722 -10.7722 -10.5451 -10.5451 -10.5371 -10.5371 2.9188 2.9188 3.6698 3.6698 3.7438 3.7438 4.2137 4.2137 7.7572 7.7572 8.1901 8.1901 9.3111 9.3111 10.1975 10.1975 k = 0.0511 0.6057-0.0000 ( 3224 PWs) bands (ev): -28.8060 -28.8060 -28.8024 -28.8024 -11.8094 -11.8094 -11.7969 -11.7969 -10.7947 -10.7947 -10.7749 -10.7749 -10.5433 -10.5433 -10.5367 -10.5367 2.9130 2.9130 3.6681 3.6681 3.7478 3.7478 4.2183 4.2183 7.7552 7.7552 8.1833 8.1833 9.3750 9.3750 10.1369 10.1369 k = 0.0384 0.6057-0.0000 ( 3220 PWs) bands (ev): -28.8055 -28.8055 -28.8029 -28.8029 -11.8084 -11.8084 -11.7983 -11.7983 -10.7933 -10.7933 -10.7773 -10.7773 -10.5417 -10.5417 -10.5366 -10.5366 2.9084 2.9084 3.6668 3.6668 3.7510 3.7510 4.2218 4.2218 7.7535 7.7535 8.1780 8.1780 9.4384 9.4384 10.0558 10.0558 k = 0.0256 0.6057-0.0000 ( 3218 PWs) bands (ev): -28.8051 -28.8051 -28.8033 -28.8033 -11.8075 -11.8075 -11.7995 -11.7995 -10.7919 -10.7919 -10.7794 -10.7794 -10.5403 -10.5403 -10.5367 -10.5367 2.9051 2.9051 3.6658 3.6658 3.7533 3.7533 4.2242 4.2242 7.7524 7.7524 8.1742 8.1742 9.4974 9.4974 9.9838 9.9838 k = 0.0128 0.6057-0.0000 ( 3224 PWs) bands (ev): -28.8047 -28.8047 -28.8038 -28.8038 -11.8067 -11.8067 -11.8004 -11.8004 -10.7908 -10.7908 -10.7809 -10.7809 -10.5392 -10.5392 -10.5370 -10.5370 2.9031 2.9031 3.6652 3.6652 3.7547 3.7547 4.2257 4.2257 7.7516 7.7516 8.1720 8.1720 9.5436 9.5436 9.9297 9.9297 k = 0.0000 0.6057-0.0000 ( 3232 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8065 -11.8065 -11.8008 -11.8008 -10.7904 -10.7904 -10.7815 -10.7815 -10.5387 -10.5387 -10.5373 -10.5373 2.9024 2.9024 3.6650 3.6650 3.7551 3.7551 4.2262 4.2262 7.7514 7.7514 8.1712 8.1712 9.5624 9.5624 9.9083 9.9083 k = 0.0000 0.6057-0.0000 ( 3232 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8065 -11.8065 -11.8008 -11.8008 -10.7904 -10.7904 -10.7815 -10.7815 -10.5387 -10.5387 -10.5373 -10.5373 2.9024 2.9024 3.6650 3.6650 3.7551 3.7551 4.2262 4.2262 7.7514 7.7514 8.1712 8.1712 9.5624 9.5624 9.9083 9.9083 k = 0.0000 0.6057 0.0130 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8066 -11.8066 -11.8009 -11.8009 -10.7904 -10.7904 -10.7816 -10.7816 -10.5386 -10.5386 -10.5370 -10.5370 2.9029 2.9029 3.6617 3.6617 3.7579 3.7579 4.2260 4.2260 7.7494 7.7494 8.1713 8.1713 9.5454 9.5454 9.9073 9.9073 k = 0.0000 0.6057 0.0261 ( 3226 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8069 -11.8069 -11.8012 -11.8012 -10.7906 -10.7906 -10.7817 -10.7817 -10.5383 -10.5383 -10.5361 -10.5361 2.9043 2.9043 3.6529 3.6529 3.7652 3.7652 4.2253 4.2253 7.7437 7.7437 8.1715 8.1715 9.5005 9.5005 9.9042 9.9042 k = 0.0000 0.6057 0.0391 ( 3228 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8073 -11.8073 -11.8018 -11.8018 -10.7909 -10.7909 -10.7819 -10.7819 -10.5376 -10.5376 -10.5349 -10.5349 2.9066 2.9066 3.6403 3.6403 3.7754 3.7754 4.2241 4.2241 7.7342 7.7342 8.1712 8.1712 9.4395 9.4395 9.8999 9.8999 k = 0.0000 0.6057 0.0522 ( 3226 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8080 -11.8080 -11.8025 -11.8025 -10.7913 -10.7913 -10.7821 -10.7821 -10.5366 -10.5366 -10.5332 -10.5332 2.9099 2.9099 3.6252 3.6252 3.7871 3.7871 4.2225 4.2225 7.7212 7.7212 8.1697 8.1697 9.3730 9.3730 9.8950 9.8950 k = 0.0000 0.6057 0.0652 ( 3226 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8089 -11.8089 -11.8034 -11.8034 -10.7918 -10.7918 -10.7825 -10.7825 -10.5353 -10.5353 -10.5313 -10.5313 2.9140 2.9140 3.6084 3.6084 3.7996 3.7996 4.2204 4.2204 7.7051 7.7051 8.1659 8.1659 9.3079 9.3079 9.8906 9.8906 k = 0.0000 0.6057 0.0783 ( 3228 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8099 -11.8099 -11.8046 -11.8046 -10.7923 -10.7923 -10.7829 -10.7829 -10.5336 -10.5336 -10.5291 -10.5291 2.9191 2.9191 3.5903 3.5903 3.8126 3.8126 4.2178 4.2178 7.6862 7.6862 8.1583 8.1583 9.2491 9.2491 9.8876 9.8876 k = 0.0000 0.6057 0.0913 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8110 -11.8110 -11.8058 -11.8058 -10.7929 -10.7929 -10.7834 -10.7834 -10.5316 -10.5316 -10.5266 -10.5266 2.9251 2.9251 3.5713 3.5713 3.8258 3.8258 4.2148 4.2148 7.6649 7.6649 8.1458 8.1458 9.2001 9.2001 9.8869 9.8869 k = 0.0000 0.6057 0.1044 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8123 -11.8123 -11.8073 -11.8073 -10.7935 -10.7935 -10.7839 -10.7839 -10.5294 -10.5294 -10.5240 -10.5240 2.9319 2.9319 3.5514 3.5514 3.8391 3.8391 4.2112 4.2112 7.6417 7.6417 8.1268 8.1268 9.1635 9.1635 9.8891 9.8891 k = 0.0000 0.6057 0.1174 ( 3226 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8136 -11.8136 -11.8088 -11.8088 -10.7941 -10.7941 -10.7846 -10.7846 -10.5269 -10.5269 -10.5212 -10.5212 2.9397 2.9397 3.5308 3.5308 3.8525 3.8525 4.2072 4.2072 7.6172 7.6172 8.1008 8.1008 9.1408 9.1408 9.8945 9.8945 k = 0.0000 0.6057 0.1305 ( 3228 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8150 -11.8150 -11.8104 -11.8104 -10.7947 -10.7947 -10.7853 -10.7853 -10.5242 -10.5242 -10.5184 -10.5184 2.9484 2.9484 3.5097 3.5097 3.8660 3.8660 4.2026 4.2026 7.5920 7.5920 8.0677 8.0677 9.1325 9.1325 9.9035 9.9035 k = 0.0000 0.6057 0.1435 ( 3228 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8165 -11.8165 -11.8121 -11.8121 -10.7953 -10.7953 -10.7860 -10.7860 -10.5214 -10.5214 -10.5155 -10.5155 2.9580 2.9580 3.4880 3.4880 3.8796 3.8796 4.1975 4.1975 7.5665 7.5665 8.0281 8.0281 9.1382 9.1382 9.9160 9.9160 k = 0.0000 0.6057 0.1566 ( 3220 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8180 -11.8180 -11.8139 -11.8139 -10.7958 -10.7958 -10.7868 -10.7868 -10.5185 -10.5185 -10.5126 -10.5126 2.9684 2.9684 3.4659 3.4659 3.8933 3.8933 4.1919 4.1919 7.5415 7.5415 7.9833 7.9833 9.1569 9.1569 9.9321 9.9321 k = 0.0000 0.6057 0.1696 ( 3216 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8195 -11.8195 -11.8156 -11.8156 -10.7963 -10.7963 -10.7876 -10.7876 -10.5155 -10.5155 -10.5097 -10.5097 2.9797 2.9797 3.4435 3.4435 3.9070 3.9070 4.1858 4.1858 7.5174 7.5174 7.9348 7.9348 9.1870 9.1870 9.9513 9.9513 k = 0.0000 0.6057 0.1826 ( 3216 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8210 -11.8210 -11.8174 -11.8174 -10.7967 -10.7967 -10.7884 -10.7884 -10.5125 -10.5125 -10.5069 -10.5069 2.9919 2.9919 3.4208 3.4208 3.9208 3.9208 4.1790 4.1790 7.4947 7.4947 7.8842 7.8842 9.2271 9.2271 9.9734 9.9734 k = 0.0000 0.6057 0.1957 ( 3218 PWs) bands (ev): -28.8043 -28.8043 -28.8041 -28.8041 -11.8224 -11.8224 -11.8191 -11.8191 -10.7970 -10.7970 -10.7893 -10.7893 -10.5096 -10.5096 -10.5042 -10.5042 3.0048 3.0048 3.3980 3.3980 3.9346 3.9346 4.1718 4.1718 7.4740 7.4740 7.8328 7.8328 9.2757 9.2757 9.9975 9.9975 k = 0.0000 0.6057 0.2087 ( 3218 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8238 -11.8238 -11.8207 -11.8207 -10.7973 -10.7973 -10.7901 -10.7901 -10.5068 -10.5068 -10.5018 -10.5018 3.0186 3.0186 3.3750 3.3750 3.9485 3.9485 4.1639 4.1639 7.4557 7.4557 7.7819 7.7819 9.3313 9.3313 10.0230 10.0230 k = 0.0000 0.6057 0.2218 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8251 -11.8251 -11.8223 -11.8223 -10.7975 -10.7975 -10.7910 -10.7910 -10.5041 -10.5041 -10.4995 -10.4995 3.0332 3.0332 3.3521 3.3521 3.9623 3.9623 4.1555 4.1555 7.4402 7.4402 7.7323 7.7323 9.3929 9.3929 10.0485 10.0485 k = 0.0000 0.6057 0.2348 ( 3226 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8262 -11.8262 -11.8238 -11.8238 -10.7977 -10.7977 -10.7918 -10.7918 -10.5016 -10.5016 -10.4974 -10.4974 3.0486 3.0486 3.3292 3.3292 3.9762 3.9762 4.1466 4.1466 7.4279 7.4279 7.6849 7.6849 9.4594 9.4594 10.0724 10.0724 k = 0.0000 0.6057 0.2479 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8272 -11.8272 -11.8251 -11.8251 -10.7977 -10.7977 -10.7926 -10.7926 -10.4993 -10.4993 -10.4956 -10.4956 3.0648 3.0648 3.3064 3.3064 3.9900 3.9900 4.1371 4.1371 7.4191 7.4191 7.6404 7.6404 9.5296 9.5296 10.0922 10.0922 k = 0.0000 0.6057 0.2609 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8281 -11.8281 -11.8263 -11.8263 -10.7977 -10.7977 -10.7933 -10.7933 -10.4972 -10.4972 -10.4941 -10.4941 3.0817 3.0817 3.2839 3.2839 4.0038 4.0038 4.1271 4.1271 7.4141 7.4141 7.5990 7.5990 9.6027 9.6027 10.1049 10.1049 k = 0.0000 0.6057 0.2740 ( 3226 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8287 -11.8287 -11.8273 -11.8273 -10.7976 -10.7976 -10.7940 -10.7940 -10.4954 -10.4954 -10.4929 -10.4929 3.0993 3.0993 3.2615 3.2615 4.0173 4.0173 4.1165 4.1165 7.4131 7.4131 7.5614 7.5614 9.6775 9.6775 10.1066 10.1066 k = 0.0000 0.6057 0.2870 ( 3228 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8292 -11.8292 -11.8282 -11.8282 -10.7974 -10.7974 -10.7947 -10.7947 -10.4939 -10.4939 -10.4920 -10.4920 3.1176 3.1176 3.2396 3.2396 4.0308 4.0308 4.1054 4.1054 7.4162 7.4162 7.5277 7.5277 9.7528 9.7528 10.0939 10.0939 k = 0.0000 0.6057 0.3001 ( 3230 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8296 -11.8296 -11.8288 -11.8288 -10.7971 -10.7971 -10.7953 -10.7953 -10.4927 -10.4927 -10.4914 -10.4914 3.1365 3.1365 3.2180 3.2180 4.0440 4.0440 4.0939 4.0939 7.4237 7.4237 7.4981 7.4981 9.8270 9.8270 10.0650 10.0650 k = 0.0000 0.6057 0.3131 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8297 -11.8297 -11.8293 -11.8293 -10.7968 -10.7968 -10.7959 -10.7959 -10.4919 -10.4919 -10.4912 -10.4912 3.1561 3.1561 3.1968 3.1968 4.0570 4.0570 4.0820 4.0820 7.4357 7.4357 7.4729 7.4729 9.8982 9.8982 10.0207 10.0207 k = 0.0000 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8296 -11.8296 -11.8296 -11.8296 -10.7963 -10.7963 -10.7963 -10.7963 -10.4914 -10.4914 -10.4914 -10.4914 3.1762 3.1762 3.1762 3.1762 4.0697 4.0697 4.0697 4.0697 7.4520 7.4520 7.4520 7.4520 9.9639 9.9639 9.9639 9.9639 k = 0.0000 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8296 -11.8296 -11.8296 -11.8296 -10.7963 -10.7963 -10.7963 -10.7963 -10.4914 -10.4914 -10.4914 -10.4914 3.1762 3.1762 3.1762 3.1762 4.0697 4.0697 4.0697 4.0697 7.4520 7.4520 7.4520 7.4520 9.9639 9.9639 9.9639 9.9639 k = 0.0128 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8303 -11.8303 -11.8288 -11.8288 -10.7968 -10.7968 -10.7958 -10.7958 -10.4919 -10.4919 -10.4912 -10.4912 3.1763 3.1763 3.1772 3.1772 4.0679 4.0679 4.0710 4.0710 7.4498 7.4498 7.4513 7.4513 9.9589 9.9589 9.9623 9.9623 k = 0.0256 0.6057 0.3262 ( 3226 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8308 -11.8308 -11.8280 -11.8280 -10.7973 -10.7973 -10.7951 -10.7951 -10.4926 -10.4926 -10.4911 -10.4911 3.1776 3.1776 3.1793 3.1793 4.0655 4.0655 4.0718 4.0718 7.4446 7.4446 7.4475 7.4475 9.9480 9.9480 9.9547 9.9547 k = 0.0384 0.6057 0.3262 ( 3230 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8313 -11.8313 -11.8270 -11.8270 -10.7976 -10.7976 -10.7943 -10.7943 -10.4935 -10.4935 -10.4914 -10.4914 3.1799 3.1799 3.1824 3.1824 4.0626 4.0626 4.0721 4.0721 7.4365 7.4365 7.4408 7.4408 9.9327 9.9327 9.9420 9.9420 k = 0.0511 0.6057 0.3262 ( 3226 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8317 -11.8317 -11.8260 -11.8260 -10.7979 -10.7979 -10.7935 -10.7935 -10.4946 -10.4946 -10.4918 -10.4918 3.1833 3.1833 3.1867 3.1867 4.0593 4.0593 4.0718 4.0718 7.4255 7.4255 7.4312 7.4312 9.9148 9.9148 9.9262 9.9262 k = 0.0639 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8320 -11.8320 -11.8249 -11.8249 -10.7981 -10.7981 -10.7926 -10.7926 -10.4960 -10.4960 -10.4925 -10.4925 3.1877 3.1877 3.1919 3.1919 4.0554 4.0554 4.0710 4.0710 7.4118 7.4118 7.4187 7.4187 9.8962 9.8962 9.9091 9.9091 k = 0.0767 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8322 -11.8322 -11.8237 -11.8237 -10.7982 -10.7982 -10.7916 -10.7916 -10.4975 -10.4975 -10.4933 -10.4933 3.1929 3.1929 3.1980 3.1980 4.0511 4.0511 4.0697 4.0697 7.3955 7.3955 7.4035 7.4035 9.8785 9.8785 9.8924 9.8924 k = 0.0895 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8324 -11.8324 -11.8224 -11.8224 -10.7983 -10.7983 -10.7906 -10.7906 -10.4992 -10.4992 -10.4944 -10.4944 3.1989 3.1989 3.2048 3.2048 4.0463 4.0463 4.0679 4.0679 7.3769 7.3769 7.3858 7.3858 9.8632 9.8632 9.8777 9.8777 k = 0.1023 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8324 -11.8324 -11.8211 -11.8211 -10.7983 -10.7983 -10.7895 -10.7895 -10.5011 -10.5011 -10.4956 -10.4956 3.2056 3.2056 3.2123 3.2123 4.0410 4.0410 4.0655 4.0655 7.3560 7.3560 7.3658 7.3658 9.8514 9.8514 9.8660 9.8660 k = 0.1151 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8323 -11.8323 -11.8197 -11.8197 -10.7982 -10.7982 -10.7882 -10.7882 -10.5031 -10.5031 -10.4970 -10.4970 3.2128 3.2128 3.2204 3.2204 4.0353 4.0353 4.0626 4.0626 7.3332 7.3332 7.3437 7.3437 9.8438 9.8438 9.8583 9.8583 k = 0.1278 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8322 -11.8322 -11.8182 -11.8182 -10.7980 -10.7980 -10.7869 -10.7869 -10.5052 -10.5052 -10.4986 -10.4986 3.2205 3.2205 3.2288 3.2288 4.0292 4.0292 4.0592 4.0592 7.3088 7.3088 7.3199 7.3199 9.8411 9.8411 9.8553 9.8553 k = 0.1406 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8319 -11.8319 -11.8166 -11.8166 -10.7977 -10.7977 -10.7856 -10.7856 -10.5074 -10.5074 -10.5002 -10.5002 3.2283 3.2283 3.2375 3.2375 4.0226 4.0226 4.0552 4.0552 7.2832 7.2832 7.2947 7.2947 9.8437 9.8437 9.8573 9.8573 k = 0.1534 0.6057 0.3262 ( 3226 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8316 -11.8316 -11.8150 -11.8150 -10.7974 -10.7974 -10.7841 -10.7841 -10.5097 -10.5097 -10.5020 -10.5020 3.2363 3.2363 3.2462 3.2462 4.0155 4.0155 4.0506 4.0506 7.2568 7.2568 7.2686 7.2686 9.8517 9.8517 9.8647 9.8647 k = 0.1662 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8042 -28.8042 -28.8042 -28.8042 -11.8312 -11.8312 -11.8134 -11.8134 -10.7970 -10.7970 -10.7826 -10.7826 -10.5120 -10.5120 -10.5038 -10.5038 3.2443 3.2443 3.2549 3.2549 4.0080 4.0080 4.0453 4.0453 7.2300 7.2300 7.2420 7.2420 9.8653 9.8653 9.8776 9.8776 k = 0.1790 0.6057 0.3262 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8043 -28.8043 -11.8307 -11.8307 -11.8116 -11.8116 -10.7965 -10.7965 -10.7810 -10.7810 -10.5143 -10.5143 -10.5057 -10.5057 3.2521 3.2521 3.2632 3.2632 4.0000 4.0000 4.0394 4.0394 7.2032 7.2032 7.2154 7.2154 9.8845 9.8845 9.8959 9.8959 k = 0.1918 0.6057 0.3262 ( 3226 PWs) bands (ev): -28.8043 -28.8043 -28.8043 -28.8043 -11.8302 -11.8302 -11.8099 -11.8099 -10.7959 -10.7959 -10.7793 -10.7793 -10.5166 -10.5166 -10.5077 -10.5077 3.2595 3.2595 3.2712 3.2712 3.9914 3.9914 4.0327 4.0327 7.1771 7.1771 7.1892 7.1892 9.9090 9.9090 9.9197 9.9197 k = 0.2046 0.6057 0.3262 ( 3228 PWs) bands (ev): -28.8044 -28.8044 -28.8044 -28.8044 -11.8295 -11.8295 -11.8080 -11.8080 -10.7952 -10.7952 -10.7775 -10.7775 -10.5189 -10.5189 -10.5096 -10.5096 3.2664 3.2664 3.2785 3.2785 3.9822 3.9822 4.0252 4.0252 7.1520 7.1520 7.1641 7.1641 9.9387 9.9387 9.9486 9.9486 k = 0.2173 0.6057 0.3262 ( 3232 PWs) bands (ev): -28.8044 -28.8044 -28.8044 -28.8044 -11.8288 -11.8288 -11.8062 -11.8062 -10.7944 -10.7944 -10.7757 -10.7757 -10.5212 -10.5212 -10.5115 -10.5115 3.2727 3.2727 3.2851 3.2851 3.9724 3.9724 4.0167 4.0167 7.1285 7.1285 7.1404 7.1404 9.9732 9.9732 9.9823 9.9823 k = 0.2301 0.6057 0.3262 ( 3226 PWs) bands (ev): -28.8045 -28.8045 -28.8045 -28.8045 -11.8279 -11.8279 -11.8042 -11.8042 -10.7936 -10.7936 -10.7738 -10.7738 -10.5233 -10.5233 -10.5134 -10.5134 3.2783 3.2783 3.2909 3.2909 3.9618 3.9618 4.0072 4.0072 7.1071 7.1071 7.1187 7.1187 10.0119 10.0119 10.0203 10.0203 k = 0.2429 0.6057 0.3262 ( 3228 PWs) bands (ev): -28.8046 -28.8046 -28.8046 -28.8046 -11.8270 -11.8270 -11.8023 -11.8023 -10.7926 -10.7926 -10.7718 -10.7718 -10.5254 -10.5254 -10.5152 -10.5152 3.2830 3.2830 3.2956 3.2956 3.9504 3.9504 3.9966 3.9966 7.0882 7.0882 7.0995 7.0995 10.0541 10.0541 10.0619 10.0619 k = 0.2557 0.6057 0.3262 ( 3230 PWs) bands (ev): -28.8047 -28.8047 -28.8047 -28.8047 -11.8260 -11.8260 -11.8003 -11.8003 -10.7915 -10.7915 -10.7697 -10.7697 -10.5274 -10.5274 -10.5169 -10.5169 3.2867 3.2867 3.2991 3.2991 3.9381 3.9381 3.9848 3.9848 7.0722 7.0722 7.0832 7.0832 10.0987 10.0987 10.1060 10.1060 k = 0.2685 0.6057 0.3262 ( 3228 PWs) bands (ev): -28.8048 -28.8048 -28.8048 -28.8048 -11.8249 -11.8249 -11.7982 -11.7982 -10.7903 -10.7903 -10.7676 -10.7676 -10.5292 -10.5292 -10.5185 -10.5185 3.2893 3.2893 3.3014 3.3014 3.9248 3.9248 3.9718 3.9718 7.0596 7.0596 7.0702 7.0702 10.1441 10.1441 10.1511 10.1511 k = 0.2813 0.6057 0.3262 ( 3228 PWs) bands (ev): -28.8050 -28.8050 -28.8050 -28.8050 -11.8238 -11.8238 -11.7962 -11.7962 -10.7890 -10.7890 -10.7654 -10.7654 -10.5309 -10.5309 -10.5199 -10.5199 3.2908 3.2908 3.3023 3.3023 3.9106 3.9106 3.9574 3.9574 7.0507 7.0507 7.0609 7.0609 10.1880 10.1880 10.1947 10.1947 k = 0.2941 0.6057 0.3262 ( 3222 PWs) bands (ev): -28.8052 -28.8052 -28.8052 -28.8052 -11.8225 -11.8225 -11.7940 -11.7940 -10.7876 -10.7876 -10.7631 -10.7631 -10.5324 -10.5324 -10.5212 -10.5212 3.2910 3.2910 3.3016 3.3016 3.8955 3.8955 3.9416 3.9416 7.0458 7.0458 7.0555 7.0555 10.2266 10.2266 10.2331 10.2331 k = 0.3068 0.6057 0.3262 ( 3214 PWs) bands (ev): -28.8053 -28.8053 -28.8053 -28.8053 -11.8211 -11.8211 -11.7919 -11.7919 -10.7860 -10.7860 -10.7607 -10.7607 -10.5337 -10.5337 -10.5223 -10.5223 3.2897 3.2897 3.2993 3.2993 3.8794 3.8794 3.9246 3.9246 7.0451 7.0451 7.0544 7.0544 10.2547 10.2547 10.2607 10.2607 k = 0.3196 0.6057 0.3262 ( 3214 PWs) bands (ev): -28.8056 -28.8056 -28.8056 -28.8056 -11.8197 -11.8197 -11.7897 -11.7897 -10.7843 -10.7843 -10.7582 -10.7582 -10.5349 -10.5349 -10.5233 -10.5233 3.2869 3.2869 3.2952 3.2952 3.8625 3.8625 3.9064 3.9064 7.0489 7.0489 7.0577 7.0577 10.2664 10.2664 10.2715 10.2715 k = 0.3196 0.6057 0.3262 ( 3214 PWs) bands (ev): -28.8056 -28.8056 -28.8056 -28.8056 -11.8197 -11.8197 -11.7897 -11.7897 -10.7843 -10.7843 -10.7582 -10.7582 -10.5349 -10.5349 -10.5233 -10.5233 3.2869 3.2869 3.2952 3.2952 3.8625 3.8625 3.9064 3.9064 7.0489 7.0489 7.0577 7.0577 10.2664 10.2664 10.2715 10.2715 k = 0.3135 0.5940 0.3262 ( 3210 PWs) bands (ev): -28.8051 -28.8051 -28.8051 -28.8051 -11.8228 -11.8228 -11.7945 -11.7945 -10.7880 -10.7880 -10.7636 -10.7636 -10.5325 -10.5325 -10.5213 -10.5213 3.2942 3.2942 3.3056 3.3056 3.8983 3.8983 3.9454 3.9454 7.0383 7.0383 7.0482 7.0482 10.2604 10.2604 10.2679 10.2679 k = 0.3073 0.5824 0.3262 ( 3226 PWs) bands (ev): -28.8047 -28.8047 -28.8047 -28.8047 -11.8256 -11.8256 -11.7991 -11.7991 -10.7911 -10.7911 -10.7685 -10.7685 -10.5300 -10.5300 -10.5193 -10.5193 3.2999 3.2999 3.3143 3.3143 3.9294 3.9294 3.9795 3.9795 7.0332 7.0332 7.0442 7.0442 10.2513 10.2513 10.2612 10.2612 k = 0.3012 0.5707 0.3262 ( 3224 PWs) bands (ev): -28.8043 -28.8043 -28.8043 -28.8043 -11.8280 -11.8280 -11.8034 -11.8034 -10.7937 -10.7937 -10.7731 -10.7731 -10.5273 -10.5273 -10.5171 -10.5171 3.3037 3.3037 3.3208 3.3208 3.9561 3.9561 4.0088 4.0088 7.0333 7.0333 7.0456 7.0456 10.2396 10.2396 10.2514 10.2514 k = 0.2950 0.5591 0.3262 ( 3232 PWs) bands (ev): -28.8041 -28.8041 -28.8041 -28.8041 -11.8300 -11.8300 -11.8075 -11.8075 -10.7957 -10.7957 -10.7772 -10.7772 -10.5246 -10.5246 -10.5148 -10.5148 3.3051 3.3051 3.3250 3.3250 3.9785 3.9785 4.0336 4.0336 7.0385 7.0385 7.0518 7.0518 10.2260 10.2260 10.2394 10.2394 k = 0.2889 0.5474 0.3262 ( 3230 PWs) bands (ev): -28.8038 -28.8038 -28.8038 -28.8038 -11.8315 -11.8315 -11.8111 -11.8111 -10.7972 -10.7972 -10.7808 -10.7808 -10.5218 -10.5218 -10.5124 -10.5124 3.3039 3.3039 3.3263 3.3263 3.9972 3.9972 4.0543 4.0543 7.0484 7.0484 7.0627 7.0627 10.2115 10.2115 10.2260 10.2260 k = 0.2827 0.5358 0.3262 ( 3222 PWs) bands (ev): -28.8037 -28.8037 -28.8037 -28.8037 -11.8325 -11.8325 -11.8144 -11.8144 -10.7980 -10.7980 -10.7840 -10.7840 -10.5189 -10.5189 -10.5101 -10.5101 3.2998 3.2998 3.3244 3.3244 4.0127 4.0127 4.0714 4.0714 7.0624 7.0624 7.0778 7.0778 10.1967 10.1967 10.2119 10.2119 k = 0.2766 0.5241 0.3262 ( 3222 PWs) bands (ev): -28.8036 -28.8036 -28.8036 -28.8036 -11.8330 -11.8330 -11.8172 -11.8172 -10.7984 -10.7984 -10.7866 -10.7866 -10.5160 -10.5160 -10.5077 -10.5077 3.2923 3.2923 3.3189 3.3189 4.0257 4.0257 4.0855 4.0855 7.0804 7.0804 7.0966 7.0966 10.1822 10.1822 10.1978 10.1978 k = 0.2704 0.5125 0.3262 ( 3222 PWs) bands (ev): -28.8036 -28.8036 -28.8036 -28.8036 -11.8330 -11.8330 -11.8196 -11.8196 -10.7981 -10.7981 -10.7888 -10.7888 -10.5131 -10.5131 -10.5053 -10.5053 3.2811 3.2811 3.3093 3.3093 4.0367 4.0367 4.0972 4.0972 7.1017 7.1017 7.1188 7.1188 10.1682 10.1682 10.1839 10.1839 k = 0.2643 0.5008 0.3262 ( 3218 PWs) bands (ev): -28.8037 -28.8037 -28.8037 -28.8037 -11.8324 -11.8324 -11.8215 -11.8215 -10.7973 -10.7973 -10.7904 -10.7904 -10.5101 -10.5101 -10.5029 -10.5029 3.2658 3.2658 3.2954 3.2954 4.0465 4.0465 4.1071 4.1071 7.1259 7.1259 7.1438 7.1438 10.1549 10.1549 10.1703 10.1703 k = 0.2582 0.4892 0.3262 ( 3222 PWs) bands (ev): -28.8039 -28.8039 -28.8039 -28.8039 -11.8313 -11.8313 -11.8228 -11.8228 -10.7960 -10.7960 -10.7914 -10.7914 -10.5071 -10.5071 -10.5006 -10.5006 3.2464 3.2464 3.2768 3.2768 4.0556 4.0556 4.1158 4.1158 7.1528 7.1528 7.1712 7.1712 10.1420 10.1420 10.1567 10.1567 k = 0.2520 0.4775 0.3262 ( 3226 PWs) bands (ev): -28.8041 -28.8041 -28.8041 -28.8041 -11.8297 -11.8297 -11.8236 -11.8236 -10.7942 -10.7942 -10.7919 -10.7919 -10.5041 -10.5041 -10.4983 -10.4983 3.2224 3.2224 3.2533 3.2533 4.0646 4.0646 4.1239 4.1239 7.1819 7.1819 7.2009 7.2009 10.1289 10.1289 10.1426 10.1426 k = 0.2459 0.4659 0.3262 ( 3226 PWs) bands (ev): -28.8044 -28.8044 -28.8044 -28.8044 -11.8274 -11.8274 -11.8238 -11.8238 -10.7919 -10.7919 -10.7918 -10.7918 -10.5011 -10.5011 -10.4960 -10.4960 3.1940 3.1940 3.2251 3.2251 4.0738 4.0738 4.1317 4.1317 7.2130 7.2130 7.2324 7.2324 10.1149 10.1149 10.1271 10.1271 k = 0.2397 0.4543 0.3262 ( 3222 PWs) bands (ev): -28.8048 -28.8048 -28.8048 -28.8048 -11.8246 -11.8246 -11.8235 -11.8235 -10.7913 -10.7913 -10.7889 -10.7889 -10.4981 -10.4981 -10.4938 -10.4938 3.1611 3.1611 3.1919 3.1919 4.0834 4.0834 4.1395 4.1395 7.2458 7.2458 7.2655 7.2655 10.0989 10.0989 10.1091 10.1091 k = 0.2336 0.4426 0.3262 ( 3226 PWs) bands (ev): -28.8053 -28.8053 -28.8053 -28.8053 -11.8226 -11.8226 -11.8213 -11.8213 -10.7901 -10.7901 -10.7856 -10.7856 -10.4951 -10.4951 -10.4916 -10.4916 3.1237 3.1237 3.1541 3.1541 4.0937 4.0937 4.1476 4.1476 7.2802 7.2802 7.3001 7.3001 10.0798 10.0798 10.0873 10.0873 k = 0.2274 0.4310 0.3262 ( 3218 PWs) bands (ev): -28.8058 -28.8058 -28.8058 -28.8058 -11.8211 -11.8211 -11.8175 -11.8175 -10.7883 -10.7883 -10.7817 -10.7817 -10.4921 -10.4921 -10.4895 -10.4895 3.0820 3.0820 3.1118 3.1118 4.1046 4.1046 4.1561 4.1561 7.3161 7.3161 7.3361 7.3361 10.0561 10.0561 10.0603 10.0603 k = 0.2213 0.4193 0.3262 ( 3224 PWs) bands (ev): -28.8064 -28.8064 -28.8064 -28.8064 -11.8191 -11.8191 -11.8131 -11.8131 -10.7860 -10.7860 -10.7774 -10.7774 -10.4890 -10.4890 -10.4875 -10.4875 3.0363 3.0363 3.0654 3.0654 4.1161 4.1161 4.1650 4.1650 7.3535 7.3535 7.3734 7.3734 10.0266 10.0266 10.0270 10.0270 k = 0.2151 0.4077 0.3262 ( 3220 PWs) bands (ev): -28.8071 -28.8071 -28.8071 -28.8071 -11.8165 -11.8165 -11.8083 -11.8083 -10.7830 -10.7830 -10.7727 -10.7727 -10.4860 -10.4860 -10.4855 -10.4855 2.9868 2.9868 3.0150 3.0150 4.1281 4.1281 4.1742 4.1742 7.3922 7.3922 7.4121 7.4121 9.9868 9.9868 9.9904 9.9904 k = 0.2090 0.3960 0.3262 ( 3228 PWs) bands (ev): -28.8078 -28.8078 -28.8078 -28.8078 -11.8135 -11.8135 -11.8031 -11.8031 -10.7795 -10.7795 -10.7675 -10.7675 -10.4835 -10.4835 -10.4829 -10.4829 2.9338 2.9338 2.9611 2.9611 4.1404 4.1404 4.1837 4.1837 7.4325 7.4325 7.4521 7.4521 9.9398 9.9398 9.9474 9.9474 k = 0.2028 0.3844 0.3262 ( 3228 PWs) bands (ev): -28.8086 -28.8086 -28.8086 -28.8086 -11.8100 -11.8100 -11.7974 -11.7974 -10.7754 -10.7754 -10.7620 -10.7620 -10.4816 -10.4816 -10.4799 -10.4799 2.8776 2.8776 2.9041 2.9041 4.1528 4.1528 4.1932 4.1932 7.4743 7.4743 7.4936 7.4936 9.8867 9.8867 9.8981 9.8981 k = 0.1967 0.3727 0.3262 ( 3236 PWs) bands (ev): -28.8095 -28.8095 -28.8095 -28.8095 -11.8060 -11.8060 -11.7914 -11.7914 -10.7708 -10.7708 -10.7560 -10.7560 -10.4797 -10.4797 -10.4768 -10.4768 2.8185 2.8185 2.8442 2.8442 4.1652 4.1652 4.2027 4.2027 7.5177 7.5177 7.5367 7.5367 9.8290 9.8290 9.8435 9.8435 k = 0.1905 0.3611 0.3262 ( 3222 PWs) bands (ev): -28.8104 -28.8104 -28.8104 -28.8104 -11.8015 -11.8015 -11.7851 -11.7851 -10.7656 -10.7656 -10.7497 -10.7497 -10.4779 -10.4779 -10.4736 -10.4736 2.7570 2.7570 2.7819 2.7819 4.1773 4.1773 4.2121 4.2121 7.5628 7.5628 7.5814 7.5814 9.7683 9.7683 9.7852 9.7852 k = 0.1844 0.3494 0.3262 ( 3218 PWs) bands (ev): -28.8114 -28.8114 -28.8114 -28.8114 -11.7967 -11.7967 -11.7785 -11.7785 -10.7598 -10.7598 -10.7431 -10.7431 -10.4761 -10.4761 -10.4704 -10.4704 2.6932 2.6932 2.7174 2.7174 4.1890 4.1890 4.2210 4.2210 7.6099 7.6099 7.6279 7.6279 9.7061 9.7061 9.7248 9.7248 k = 0.1782 0.3378 0.3262 ( 3242 PWs) bands (ev): -28.8124 -28.8124 -28.8124 -28.8124 -11.7916 -11.7916 -11.7718 -11.7718 -10.7535 -10.7535 -10.7362 -10.7362 -10.4743 -10.4743 -10.4671 -10.4671 2.6276 2.6276 2.6511 2.6511 4.2000 4.2000 4.2294 4.2294 7.6589 7.6589 7.6763 7.6763 9.6438 9.6438 9.6638 9.6638 k = 0.1721 0.3261 0.3262 ( 3246 PWs) bands (ev): -28.8135 -28.8135 -28.8135 -28.8135 -11.7861 -11.7861 -11.7648 -11.7648 -10.7467 -10.7467 -10.7290 -10.7290 -10.4724 -10.4724 -10.4638 -10.4638 2.5604 2.5604 2.5833 2.5833 4.2103 4.2103 4.2371 4.2371 7.7101 7.7101 7.7268 7.7268 9.5826 9.5826 9.6035 9.6035 k = 0.1660 0.3145 0.3262 ( 3240 PWs) bands (ev): -28.8146 -28.8146 -28.8146 -28.8146 -11.7804 -11.7804 -11.7578 -11.7578 -10.7394 -10.7394 -10.7216 -10.7216 -10.4706 -10.4706 -10.4603 -10.4603 2.4919 2.4919 2.5142 2.5142 4.2197 4.2197 4.2441 4.2441 7.7636 7.7636 7.7796 7.7796 9.5236 9.5236 9.5450 9.5450 k = 0.1598 0.3028 0.3262 ( 3240 PWs) bands (ev): -28.8157 -28.8157 -28.8157 -28.8157 -11.7744 -11.7744 -11.7506 -11.7506 -10.7317 -10.7317 -10.7140 -10.7140 -10.4687 -10.4687 -10.4567 -10.4567 2.4226 2.4226 2.4443 2.4443 4.2280 4.2280 4.2501 4.2501 7.8194 7.8194 7.8346 7.8346 9.4676 9.4676 9.4892 9.4892 k = 0.1537 0.2912 0.3262 ( 3236 PWs) bands (ev): -28.8169 -28.8169 -28.8169 -28.8169 -11.7683 -11.7683 -11.7435 -11.7435 -10.7236 -10.7236 -10.7063 -10.7063 -10.4667 -10.4667 -10.4530 -10.4530 2.3526 2.3526 2.3738 2.3738 4.2353 4.2353 4.2552 4.2552 7.8777 7.8777 7.8922 7.8922 9.4150 9.4150 9.4367 9.4367 k = 0.1475 0.2795 0.3262 ( 3236 PWs) bands (ev): -28.8180 -28.8180 -28.8180 -28.8180 -11.7620 -11.7620 -11.7365 -11.7365 -10.7151 -10.7151 -10.6985 -10.6985 -10.4646 -10.4646 -10.4491 -10.4491 2.2823 2.2823 2.3030 2.3030 4.2414 4.2414 4.2592 4.2592 7.9386 7.9386 7.9522 7.9522 9.3665 9.3665 9.3881 9.3881 k = 0.1414 0.2679 0.3262 ( 3244 PWs) bands (ev): -28.8192 -28.8192 -28.8192 -28.8192 -11.7557 -11.7557 -11.7295 -11.7295 -10.7064 -10.7064 -10.6907 -10.6907 -10.4623 -10.4623 -10.4451 -10.4451 2.2119 2.2119 2.2321 2.2321 4.2462 4.2462 4.2622 4.2622 8.0022 8.0022 8.0148 8.0148 9.3221 9.3221 9.3436 9.3436 k = 0.1352 0.2562 0.3262 ( 3244 PWs) bands (ev): -28.8204 -28.8204 -28.8204 -28.8204 -11.7493 -11.7493 -11.7227 -11.7227 -10.6974 -10.6974 -10.6829 -10.6829 -10.4599 -10.4599 -10.4409 -10.4409 2.1418 2.1418 2.1616 2.1616 4.2499 4.2499 4.2640 4.2640 8.0684 8.0684 8.0801 8.0801 9.2823 9.2823 9.3036 9.3036 k = 0.1291 0.2446 0.3262 ( 3244 PWs) bands (ev): -28.8216 -28.8216 -28.8216 -28.8216 -11.7429 -11.7429 -11.7160 -11.7160 -10.6883 -10.6883 -10.6751 -10.6751 -10.4573 -10.4573 -10.4366 -10.4366 2.0723 2.0723 2.0916 2.0916 4.2523 4.2523 4.2648 4.2648 8.1373 8.1373 8.1480 8.1480 9.2471 9.2471 9.2683 9.2683 k = 0.1229 0.2330 0.3262 ( 3244 PWs) bands (ev): -28.8228 -28.8228 -28.8228 -28.8228 -11.7365 -11.7365 -11.7096 -11.7096 -10.6792 -10.6792 -10.6676 -10.6676 -10.4545 -10.4545 -10.4320 -10.4320 2.0037 2.0037 2.0224 2.0224 4.2536 4.2536 4.2645 4.2645 8.2089 8.2089 8.2184 8.2184 9.2165 9.2165 9.2376 9.2376 k = 0.1168 0.2213 0.3262 ( 3246 PWs) bands (ev): -28.8240 -28.8240 -28.8240 -28.8240 -11.7303 -11.7303 -11.7034 -11.7034 -10.6701 -10.6701 -10.6602 -10.6602 -10.4514 -10.4514 -10.4273 -10.4273 1.9362 1.9362 1.9544 1.9544 4.2537 4.2537 4.2633 4.2633 8.2829 8.2829 8.2913 8.2913 9.1906 9.1906 9.2118 9.2118 k = 0.1106 0.2097 0.3262 ( 3254 PWs) bands (ev): -28.8252 -28.8252 -28.8252 -28.8252 -11.7241 -11.7241 -11.6975 -11.6975 -10.6612 -10.6612 -10.6530 -10.6530 -10.4479 -10.4479 -10.4223 -10.4223 1.8702 1.8702 1.8878 1.8878 4.2528 4.2528 4.2611 4.2611 8.3592 8.3592 8.3662 8.3662 9.1695 9.1695 9.1909 9.1909 k = 0.1045 0.1980 0.3262 ( 3246 PWs) bands (ev): -28.8263 -28.8263 -28.8263 -28.8263 -11.7180 -11.7180 -11.6920 -11.6920 -10.6525 -10.6525 -10.6461 -10.6461 -10.4441 -10.4441 -10.4173 -10.4173 1.8059 1.8059 1.8229 1.8229 4.2510 4.2510 4.2581 4.2581 8.4373 8.4373 8.4429 8.4429 9.1533 9.1533 9.1751 9.1751 k = 0.0983 0.1864 0.3262 ( 3246 PWs) bands (ev): -28.8274 -28.8274 -28.8274 -28.8274 -11.7122 -11.7122 -11.6867 -11.6867 -10.6442 -10.6442 -10.6396 -10.6396 -10.4400 -10.4400 -10.4121 -10.4121 1.7436 1.7436 1.7600 1.7600 4.2483 4.2483 4.2544 4.2544 8.5168 8.5168 8.5207 8.5207 9.1423 9.1423 9.1647 9.1647 k = 0.0922 0.1747 0.3262 ( 3238 PWs) bands (ev): -28.8285 -28.8285 -28.8285 -28.8285 -11.7065 -11.7065 -11.6818 -11.6818 -10.6363 -10.6363 -10.6334 -10.6334 -10.4355 -10.4355 -10.4069 -10.4069 1.6836 1.6836 1.6992 1.6992 4.2450 4.2450 4.2502 4.2502 8.5966 8.5966 8.5986 8.5986 9.1371 9.1371 9.1604 9.1604 k = 0.0861 0.1631 0.3262 ( 3218 PWs) bands (ev): -28.8295 -28.8295 -28.8295 -28.8295 -11.7010 -11.7010 -11.6773 -11.6773 -10.6289 -10.6289 -10.6275 -10.6275 -10.4307 -10.4307 -10.4016 -10.4016 1.6261 1.6261 1.6410 1.6410 4.2411 4.2411 4.2455 4.2455 8.6749 8.6749 8.6752 8.6752 9.1389 9.1389 9.1634 9.1634 k = 0.0799 0.1514 0.3262 ( 3214 PWs) bands (ev): -28.8305 -28.8305 -28.8305 -28.8305 -11.6957 -11.6957 -11.6732 -11.6732 -10.6221 -10.6221 -10.6221 -10.6221 -10.4255 -10.4255 -10.3963 -10.3963 1.5714 1.5714 1.5855 1.5855 4.2367 4.2367 4.2404 4.2404 8.7472 8.7472 8.7500 8.7500 9.1497 9.1497 9.1758 9.1758 k = 0.0738 0.1398 0.3262 ( 3212 PWs) bands (ev): -28.8315 -28.8315 -28.8315 -28.8315 -11.6908 -11.6908 -11.6694 -11.6694 -10.6171 -10.6171 -10.6159 -10.6159 -10.4200 -10.4200 -10.3912 -10.3912 1.5197 1.5197 1.5330 1.5330 4.2320 4.2320 4.2351 4.2351 8.8121 8.8121 8.8171 8.8171 9.1728 9.1728 9.2004 9.2004 k = 0.0676 0.1281 0.3262 ( 3220 PWs) bands (ev): -28.8324 -28.8324 -28.8324 -28.8324 -11.6860 -11.6860 -11.6660 -11.6660 -10.6125 -10.6125 -10.6104 -10.6104 -10.4143 -10.4143 -10.3862 -10.3862 1.4713 1.4713 1.4837 1.4837 4.2272 4.2272 4.2297 4.2297 8.8659 8.8659 8.8723 8.8723 9.2121 9.2121 9.2403 9.2403 k = 0.0615 0.1165 0.3262 ( 3218 PWs) bands (ev): -28.8332 -28.8332 -28.8332 -28.8332 -11.6816 -11.6816 -11.6631 -11.6631 -10.6083 -10.6083 -10.6055 -10.6055 -10.4084 -10.4084 -10.3815 -10.3815 1.4264 1.4264 1.4378 1.4378 4.2222 4.2222 4.2243 4.2243 8.9067 8.9067 8.9132 8.9132 9.2693 9.2693 9.2967 9.2967 k = 0.0553 0.1048 0.3262 ( 3214 PWs) bands (ev): -28.8340 -28.8340 -28.8340 -28.8340 -11.6775 -11.6775 -11.6605 -11.6605 -10.6045 -10.6045 -10.6013 -10.6013 -10.4025 -10.4025 -10.3771 -10.3771 1.3851 1.3851 1.3956 1.3956 4.2174 4.2174 4.2191 4.2191 8.9358 8.9358 8.9413 8.9413 9.3424 9.3424 9.3680 9.3680 k = 0.0492 0.0932 0.3262 ( 3212 PWs) bands (ev): -28.8346 -28.8346 -28.8346 -28.8346 -11.6736 -11.6736 -11.6583 -11.6583 -10.6012 -10.6012 -10.5976 -10.5976 -10.3966 -10.3966 -10.3731 -10.3731 1.3478 1.3478 1.3572 1.3572 4.2127 4.2127 4.2141 4.2141 8.9560 8.9560 8.9602 8.9602 9.4270 9.4270 9.4506 9.4506 k = 0.0430 0.0815 0.3262 ( 3220 PWs) bands (ev): -28.8353 -28.8353 -28.8353 -28.8353 -11.6701 -11.6701 -11.6565 -11.6565 -10.5981 -10.5981 -10.5946 -10.5946 -10.3909 -10.3909 -10.3696 -10.3696 1.3145 1.3145 1.3228 1.3228 4.2083 4.2083 4.2094 4.2094 8.9702 8.9702 8.9732 8.9732 9.5190 9.5190 9.5407 9.5407 k = 0.0369 0.0699 0.3262 ( 3212 PWs) bands (ev): -28.8358 -28.8358 -28.8358 -28.8358 -11.6669 -11.6669 -11.6551 -11.6551 -10.5955 -10.5955 -10.5921 -10.5921 -10.3854 -10.3854 -10.3666 -10.3666 1.2854 1.2854 1.2926 1.2926 4.2044 4.2044 4.2052 4.2052 8.9805 8.9805 8.9826 8.9826 9.6156 9.6156 9.6356 9.6356 k = 0.0307 0.0582 0.3262 ( 3208 PWs) bands (ev): -28.8363 -28.8363 -28.8363 -28.8363 -11.6640 -11.6640 -11.6541 -11.6541 -10.5932 -10.5932 -10.5902 -10.5902 -10.3803 -10.3803 -10.3643 -10.3643 1.2606 1.2606 1.2667 1.2667 4.2009 4.2009 4.2015 4.2015 8.9881 8.9881 8.9895 8.9895 9.7147 9.7147 9.7332 9.7332 k = 0.0246 0.0466 0.3262 ( 3204 PWs) bands (ev): -28.8367 -28.8367 -28.8367 -28.8367 -11.6614 -11.6614 -11.6535 -11.6535 -10.5913 -10.5913 -10.5887 -10.5887 -10.3757 -10.3757 -10.3626 -10.3626 1.2403 1.2403 1.2452 1.2452 4.1979 4.1979 4.1984 4.1984 8.9937 8.9937 8.9946 8.9946 9.8147 9.8147 9.8318 9.8318 k = 0.0184 0.0349 0.3262 ( 3204 PWs) bands (ev): -28.8370 -28.8370 -28.8370 -28.8370 -11.6592 -11.6592 -11.6532 -11.6532 -10.5897 -10.5897 -10.5877 -10.5877 -10.3716 -10.3716 -10.3617 -10.3617 1.2246 1.2246 1.2283 1.2283 4.1955 4.1955 4.1959 4.1959 8.9978 8.9978 8.9984 8.9984 9.9140 9.9140 9.9298 9.9298 k = 0.0123 0.0233 0.3262 ( 3202 PWs) bands (ev): -28.8372 -28.8372 -28.8372 -28.8372 -11.6573 -11.6573 -11.6533 -11.6533 -10.5885 -10.5885 -10.5871 -10.5871 -10.3682 -10.3682 -10.3615 -10.3615 1.2135 1.2135 1.2159 1.2159 4.1938 4.1938 4.1940 4.1940 9.0007 9.0007 9.0010 9.0010 10.0110 10.0110 10.0255 10.0255 k = 0.0061 0.0116 0.3262 ( 3194 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6558 -11.6558 -11.6538 -11.6538 -10.5876 -10.5876 -10.5869 -10.5869 -10.3654 -10.3654 -10.3620 -10.3620 1.2070 1.2070 1.2083 1.2083 4.1928 4.1928 4.1929 4.1929 9.0024 9.0024 9.0025 9.0025 10.1023 10.1023 10.1146 10.1146 k = 0.0000 0.0000 0.3262 ( 3194 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6546 -11.6546 -11.6546 -11.6546 -10.5871 -10.5871 -10.5871 -10.5871 -10.3633 -10.3633 -10.3633 -10.3633 1.2053 1.2053 1.2053 1.2053 4.1925 4.1925 4.1925 4.1925 9.0030 9.0030 9.0030 9.0030 10.1645 10.1645 10.1645 10.1645 k = 0.0000 0.0000 0.3262 ( 3194 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6546 -11.6546 -11.6546 -11.6546 -10.5871 -10.5871 -10.5871 -10.5871 -10.3633 -10.3633 -10.3633 -10.3633 1.2053 1.2053 1.2053 1.2053 4.1925 4.1925 4.1925 4.1925 9.0030 9.0030 9.0030 9.0030 10.1645 10.1645 10.1645 10.1645 k = 0.0000 0.0000 0.3131 ( 3192 PWs) bands (ev): -28.8392 -28.8392 -28.8355 -28.8355 -11.6633 -11.6633 -11.6460 -11.6460 -10.5972 -10.5972 -10.5768 -10.5768 -10.3653 -10.3653 -10.3612 -10.3612 1.1492 1.1492 1.2617 1.2617 4.1638 4.1638 4.2213 4.2213 8.9804 8.9804 9.0249 9.0249 10.1508 10.1508 10.1809 10.1809 k = 0.0000 0.0000 0.3001 ( 3196 PWs) bands (ev): -28.8411 -28.8411 -28.8336 -28.8336 -11.6720 -11.6720 -11.6376 -11.6376 -10.6072 -10.6072 -10.5665 -10.5665 -10.3672 -10.3672 -10.3591 -10.3591 1.0937 1.0937 1.3183 1.3183 4.1353 4.1353 4.2499 4.2499 8.9578 8.9578 9.0454 9.0454 10.1399 10.1399 10.1778 10.1778 k = 0.0000 0.0000 0.2870 ( 3200 PWs) bands (ev): -28.8429 -28.8429 -28.8317 -28.8317 -11.6808 -11.6808 -11.6293 -11.6293 -10.6170 -10.6170 -10.5562 -10.5562 -10.3690 -10.3690 -10.3568 -10.3568 1.0390 1.0390 1.3748 1.3748 4.1071 4.1071 4.2782 4.2782 8.9358 8.9358 9.0639 9.0639 10.1292 10.1292 10.1426 10.1426 k = 0.0000 0.0000 0.2740 ( 3208 PWs) bands (ev): -28.8448 -28.8448 -28.8299 -28.8299 -11.6896 -11.6896 -11.6213 -11.6213 -10.6266 -10.6266 -10.5459 -10.5459 -10.3707 -10.3707 -10.3545 -10.3545 0.9852 0.9852 1.4310 1.4310 4.0794 4.0794 4.3060 4.3060 8.9147 8.9147 9.0798 9.0798 10.0997 10.0997 10.1288 10.1288 k = 0.0000 0.0000 0.2609 ( 3208 PWs) bands (ev): -28.8466 -28.8466 -28.8281 -28.8281 -11.6983 -11.6983 -11.6134 -11.6134 -10.6359 -10.6359 -10.5357 -10.5357 -10.3723 -10.3723 -10.3521 -10.3521 0.9327 0.9327 1.4866 1.4866 4.0525 4.0525 4.3332 4.3332 8.8952 8.8952 9.0924 9.0924 10.0639 10.0639 10.1248 10.1248 k = 0.0000 0.0000 0.2479 ( 3202 PWs) bands (ev): -28.8483 -28.8483 -28.8263 -28.8263 -11.7069 -11.7069 -11.6058 -11.6058 -10.6449 -10.6449 -10.5256 -10.5256 -10.3739 -10.3739 -10.3496 -10.3496 0.8814 0.8814 1.5415 1.5415 4.0264 4.0264 4.3597 4.3597 8.8775 8.8775 9.1012 9.1012 10.0290 10.0290 10.1233 10.1233 k = 0.0000 0.0000 0.2348 ( 3206 PWs) bands (ev): -28.8501 -28.8501 -28.8246 -28.8246 -11.7154 -11.7154 -11.5985 -11.5985 -10.6536 -10.6536 -10.5158 -10.5158 -10.3754 -10.3754 -10.3470 -10.3470 0.8317 0.8317 1.5953 1.5953 4.0013 4.0013 4.3853 4.3853 8.8619 8.8619 9.1061 9.1061 9.9955 9.9955 10.1235 10.1235 k = 0.0000 0.0000 0.2218 ( 3206 PWs) bands (ev): -28.8517 -28.8517 -28.8229 -28.8229 -11.7237 -11.7237 -11.5915 -11.5915 -10.6619 -10.6619 -10.5062 -10.5062 -10.3767 -10.3767 -10.3443 -10.3443 0.7837 0.7837 1.6479 1.6479 3.9773 3.9773 4.4098 4.4098 8.8486 8.8486 9.1068 9.1068 9.9636 9.9636 10.1252 10.1252 k = 0.0000 0.0000 0.2087 ( 3200 PWs) bands (ev): -28.8533 -28.8533 -28.8213 -28.8213 -11.7318 -11.7318 -11.5848 -11.5848 -10.6699 -10.6699 -10.4970 -10.4970 -10.3780 -10.3780 -10.3415 -10.3415 0.7376 0.7376 1.6989 1.6989 3.9546 3.9546 4.4332 4.4332 8.8377 8.8377 9.1034 9.1034 9.9332 9.9332 10.1280 10.1280 k = 0.0000 0.0000 0.1957 ( 3204 PWs) bands (ev): -28.8549 -28.8549 -28.8197 -28.8197 -11.7397 -11.7397 -11.5785 -11.5785 -10.6774 -10.6774 -10.4881 -10.4881 -10.3793 -10.3793 -10.3387 -10.3387 0.6934 0.6934 1.7482 1.7482 3.9331 3.9331 4.4554 4.4554 8.8292 8.8292 9.0962 9.0962 9.9046 9.9046 10.1319 10.1319 k = 0.0000 0.0000 0.1826 ( 3196 PWs) bands (ev): -28.8563 -28.8563 -28.8182 -28.8182 -11.7472 -11.7472 -11.5725 -11.5725 -10.6846 -10.6846 -10.4797 -10.4797 -10.3804 -10.3804 -10.3358 -10.3358 0.6514 0.6514 1.7954 1.7954 3.9131 3.9131 4.4763 4.4763 8.8231 8.8231 9.0854 9.0854 9.8777 9.8777 10.1363 10.1363 k = 0.0000 0.0000 0.1696 ( 3196 PWs) bands (ev): -28.8577 -28.8577 -28.8168 -28.8168 -11.7545 -11.7545 -11.5669 -11.5669 -10.6913 -10.6913 -10.4717 -10.4717 -10.3815 -10.3815 -10.3329 -10.3329 0.6117 0.6117 1.8405 1.8405 3.8946 3.8946 4.4957 4.4957 8.8193 8.8193 9.0715 9.0715 9.8525 9.8525 10.1412 10.1412 k = 0.0000 0.0000 0.1566 ( 3204 PWs) bands (ev): -28.8591 -28.8591 -28.8155 -28.8155 -11.7613 -11.7613 -11.5616 -11.5616 -10.6975 -10.6975 -10.4643 -10.4643 -10.3825 -10.3825 -10.3300 -10.3300 0.5743 0.5743 1.8830 1.8830 3.8776 3.8776 4.5138 4.5138 8.8177 8.8177 9.0552 9.0552 9.8292 9.8292 10.1461 10.1461 k = 0.0000 0.0000 0.1435 ( 3206 PWs) bands (ev): -28.8603 -28.8603 -28.8142 -28.8142 -11.7678 -11.7678 -11.5568 -11.5568 -10.7033 -10.7033 -10.4574 -10.4574 -10.3834 -10.3834 -10.3271 -10.3271 0.5396 0.5396 1.9229 1.9229 3.8622 3.8622 4.5304 4.5304 8.8180 8.8180 9.0370 9.0370 9.8078 9.8078 10.1509 10.1509 k = 0.0000 0.0000 0.1305 ( 3206 PWs) bands (ev): -28.8614 -28.8614 -28.8131 -28.8131 -11.7738 -11.7738 -11.5523 -11.5523 -10.7086 -10.7086 -10.4511 -10.4511 -10.3842 -10.3842 -10.3242 -10.3242 0.5074 0.5074 1.9599 1.9599 3.8484 3.8484 4.5455 4.5455 8.8200 8.8200 9.0177 9.0177 9.7882 9.7882 10.1553 10.1553 k = 0.0000 0.0000 0.1174 ( 3216 PWs) bands (ev): -28.8625 -28.8625 -28.8120 -28.8120 -11.7793 -11.7793 -11.5483 -11.5483 -10.7135 -10.7135 -10.4454 -10.4454 -10.3850 -10.3850 -10.3214 -10.3214 0.4780 0.4780 1.9939 1.9939 3.8361 3.8361 4.5592 4.5592 8.8234 8.8234 8.9979 8.9979 9.7705 9.7705 10.1592 10.1592 k = 0.0000 0.0000 0.1044 ( 3216 PWs) bands (ev): -28.8634 -28.8634 -28.8111 -28.8111 -11.7844 -11.7844 -11.5447 -11.5447 -10.7178 -10.7178 -10.4402 -10.4402 -10.3857 -10.3857 -10.3187 -10.3187 0.4514 0.4514 2.0247 2.0247 3.8254 3.8254 4.5713 4.5713 8.8279 8.8279 8.9781 8.9781 9.7547 9.7547 10.1623 10.1623 k = 0.0000 0.0000 0.0913 ( 3216 PWs) bands (ev): -28.8643 -28.8643 -28.8102 -28.8102 -11.7889 -11.7889 -11.5414 -11.5414 -10.7217 -10.7217 -10.4357 -10.4357 -10.3864 -10.3864 -10.3162 -10.3162 0.4278 0.4278 2.0521 2.0521 3.8162 3.8162 4.5820 4.5820 8.8330 8.8330 8.9592 8.9592 9.7408 9.7408 10.1646 10.1646 k = 0.0000 0.0000 0.0783 ( 3222 PWs) bands (ev): -28.8650 -28.8650 -28.8094 -28.8094 -11.7928 -11.7928 -11.5386 -11.5386 -10.7251 -10.7251 -10.4318 -10.4318 -10.3870 -10.3870 -10.3139 -10.3139 0.4071 0.4071 2.0761 2.0761 3.8084 3.8084 4.5912 4.5912 8.8385 8.8385 8.9415 8.9415 9.7288 9.7288 10.1661 10.1661 k = 0.0000 0.0000 0.0652 ( 3220 PWs) bands (ev): -28.8657 -28.8657 -28.8088 -28.8088 -11.7962 -11.7962 -11.5363 -11.5363 -10.7279 -10.7279 -10.4285 -10.4285 -10.3875 -10.3875 -10.3119 -10.3119 0.3895 0.3895 2.0965 2.0965 3.8020 3.8020 4.5989 4.5989 8.8439 8.8439 8.9256 8.9256 9.7186 9.7186 10.1667 10.1667 k = 0.0000 0.0000 0.0522 ( 3224 PWs) bands (ev): -28.8662 -28.8662 -28.8083 -28.8083 -11.7990 -11.7990 -11.5343 -11.5343 -10.7303 -10.7303 -10.4258 -10.4258 -10.3879 -10.3879 -10.3102 -10.3102 0.3751 0.3751 2.1133 2.1133 3.7969 3.7969 4.6053 4.6053 8.8489 8.8489 8.9120 8.9120 9.7104 9.7104 10.1650 10.1650 k = 0.0000 0.0000 0.0391 ( 3236 PWs) bands (ev): -28.8666 -28.8666 -28.8079 -28.8079 -11.8012 -11.8012 -11.5328 -11.5328 -10.7321 -10.7321 -10.4237 -10.4237 -10.3882 -10.3882 -10.3088 -10.3088 0.3638 0.3638 2.1264 2.1264 3.7929 3.7929 4.6101 4.6101 8.8532 8.8532 8.9011 8.9011 9.7040 9.7040 10.1537 10.1537 k = 0.0000 0.0000 0.0261 ( 3240 PWs) bands (ev): -28.8669 -28.8669 -28.8076 -28.8076 -11.8028 -11.8028 -11.5317 -11.5317 -10.7334 -10.7334 -10.4222 -10.4222 -10.3885 -10.3885 -10.3078 -10.3078 0.3557 0.3557 2.1358 2.1358 3.7902 3.7902 4.6136 4.6136 8.8565 8.8565 8.8930 8.8930 9.6994 9.6994 10.1426 10.1426 k = 0.0000 0.0000 0.0130 ( 3230 PWs) bands (ev): -28.8671 -28.8671 -28.8074 -28.8074 -11.8037 -11.8037 -11.5311 -11.5311 -10.7342 -10.7342 -10.4213 -10.4213 -10.3887 -10.3887 -10.3072 -10.3072 0.3508 0.3508 2.1415 2.1415 3.7886 3.7886 4.6157 4.6157 8.8585 8.8585 8.8881 8.8881 9.6966 9.6966 10.1359 10.1359 k = 0.0000 0.0000 0.0000 ( 3237 PWs) bands (ev): -28.8671 -28.8671 -28.8073 -28.8073 -11.8041 -11.8041 -11.5309 -11.5309 -10.7344 -10.7344 -10.4210 -10.4210 -10.3887 -10.3887 -10.3069 -10.3069 0.3492 0.3492 2.1433 2.1433 3.7880 3.7880 4.6164 4.6164 8.8592 8.8592 8.8864 8.8864 9.6957 9.6957 10.1336 10.1336 k = 0.0000 0.0000 0.0000 ( 3237 PWs) bands (ev): -28.8671 -28.8671 -28.8073 -28.8073 -11.8041 -11.8041 -11.5309 -11.5309 -10.7344 -10.7344 -10.4210 -10.4210 -10.3887 -10.3887 -10.3069 -10.3069 0.3492 0.3492 2.1433 2.1433 3.7880 3.7880 4.6164 4.6164 8.8592 8.8592 8.8864 8.8864 9.6957 9.6957 10.1336 10.1336 k =-0.0116 0.0061-0.0000 ( 3237 PWs) bands (ev): -28.8671 -28.8671 -28.8073 -28.8073 -11.8040 -11.8040 -11.5310 -11.5310 -10.7345 -10.7345 -10.4212 -10.4212 -10.3889 -10.3889 -10.3070 -10.3070 0.3509 0.3509 2.1439 2.1439 3.7869 3.7869 4.6145 4.6145 8.8474 8.8474 8.8965 8.8965 9.6977 9.6977 10.1325 10.1325 k =-0.0233 0.0123 0.0000 ( 3233 PWs) bands (ev): -28.8670 -28.8670 -28.8073 -28.8073 -11.8040 -11.8040 -11.5314 -11.5314 -10.7346 -10.7346 -10.4219 -10.4219 -10.3894 -10.3894 -10.3073 -10.3073 0.3561 0.3561 2.1455 2.1455 3.7834 3.7834 4.6088 4.6088 8.8265 8.8265 8.9125 8.9125 9.7034 9.7034 10.1291 10.1291 k =-0.0349 0.0184 0.0000 ( 3225 PWs) bands (ev): -28.8669 -28.8669 -28.8072 -28.8072 -11.8040 -11.8040 -11.5321 -11.5321 -10.7349 -10.7349 -10.4231 -10.4231 -10.3903 -10.3903 -10.3077 -10.3077 0.3648 0.3648 2.1481 2.1481 3.7776 3.7776 4.5995 4.5995 8.8028 8.8028 8.9280 8.9280 9.7131 9.7131 10.1235 10.1235 k =-0.0465 0.0245-0.0000 ( 3213 PWs) bands (ev): -28.8667 -28.8667 -28.8071 -28.8071 -11.8040 -11.8040 -11.5331 -11.5331 -10.7352 -10.7352 -10.4247 -10.4247 -10.3915 -10.3915 -10.3083 -10.3083 0.3768 0.3768 2.1518 2.1518 3.7696 3.7696 4.5865 4.5865 8.7776 8.7776 8.9424 8.9424 9.7265 9.7265 10.1158 10.1158 k =-0.0581 0.0307 0.0000 ( 3209 PWs) bands (ev): -28.8665 -28.8665 -28.8069 -28.8069 -11.8040 -11.8040 -11.5344 -11.5344 -10.7356 -10.7356 -10.4267 -10.4267 -10.3931 -10.3931 -10.3091 -10.3091 0.3923 0.3923 2.1565 2.1565 3.7594 3.7594 4.5699 4.5699 8.7513 8.7513 8.9557 8.9557 9.7438 9.7438 10.1060 10.1060 k =-0.0698 0.0368 0.0000 ( 3217 PWs) bands (ev): -28.8663 -28.8663 -28.8067 -28.8067 -11.8040 -11.8040 -11.5359 -11.5359 -10.7361 -10.7361 -10.4292 -10.4292 -10.3950 -10.3950 -10.3099 -10.3099 0.4111 0.4111 2.1620 2.1620 3.7470 3.7470 4.5500 4.5500 8.7243 8.7243 8.9679 8.9679 9.7649 9.7649 10.0942 10.0942 k =-0.0814 0.0430 0.0000 ( 3215 PWs) bands (ev): -28.8660 -28.8660 -28.8065 -28.8065 -11.8040 -11.8040 -11.5377 -11.5377 -10.7367 -10.7367 -10.4322 -10.4322 -10.3972 -10.3972 -10.3109 -10.3109 0.4332 0.4332 2.1684 2.1684 3.7327 3.7327 4.5269 4.5269 8.6970 8.6970 8.9793 8.9793 9.7898 9.7898 10.0805 10.0805 k =-0.0930 0.0491-0.0000 ( 3209 PWs) bands (ev): -28.8657 -28.8657 -28.8062 -28.8062 -11.8041 -11.8041 -11.5397 -11.5397 -10.7374 -10.7374 -10.4356 -10.4356 -10.3998 -10.3998 -10.3120 -10.3120 0.4585 0.4585 2.1756 2.1756 3.7164 3.7164 4.5007 4.5007 8.6698 8.6698 8.9902 8.9902 9.8184 9.8184 10.0650 10.0650 k =-0.1047 0.0552-0.0000 ( 3211 PWs) bands (ev): -28.8653 -28.8653 -28.8060 -28.8060 -11.8041 -11.8041 -11.5420 -11.5420 -10.7382 -10.7382 -10.4394 -10.4394 -10.4026 -10.4026 -10.3132 -10.3132 0.4870 0.4870 2.1836 2.1836 3.6982 3.6982 4.4716 4.4716 8.6432 8.6432 9.0007 9.0007 9.8508 9.8508 10.0479 10.0479 k =-0.1163 0.0614 0.0000 ( 3211 PWs) bands (ev): -28.8649 -28.8649 -28.8057 -28.8057 -11.8041 -11.8041 -11.5445 -11.5445 -10.7390 -10.7390 -10.4435 -10.4435 -10.4056 -10.4056 -10.3145 -10.3145 0.5185 0.5185 2.1921 2.1921 3.6784 3.6784 4.4399 4.4399 8.6175 8.6175 9.0110 9.0110 9.8869 9.8869 10.0293 10.0293 k =-0.1279 0.0675-0.0000 ( 3211 PWs) bands (ev): -28.8645 -28.8645 -28.8053 -28.8053 -11.8042 -11.8042 -11.5473 -11.5473 -10.7400 -10.7400 -10.4481 -10.4481 -10.4089 -10.4089 -10.3158 -10.3158 0.5531 0.5531 2.2011 2.2011 3.6571 3.6571 4.4057 4.4057 8.5931 8.5931 9.0215 9.0215 9.9266 9.9266 10.0094 10.0094 k =-0.1395 0.0736 0.0000 ( 3207 PWs) bands (ev): -28.8640 -28.8640 -28.8050 -28.8050 -11.8042 -11.8042 -11.5503 -11.5503 -10.7409 -10.7409 -10.4530 -10.4530 -10.4125 -10.4125 -10.3171 -10.3171 0.5905 0.5905 2.2106 2.2106 3.6343 3.6343 4.3693 4.3693 8.5703 8.5703 9.0321 9.0321 9.9699 9.9699 9.9882 9.9882 k =-0.1512 0.0798 0.0000 ( 3209 PWs) bands (ev): -28.8635 -28.8635 -28.8046 -28.8046 -11.8043 -11.8043 -11.5535 -11.5535 -10.7420 -10.7420 -10.4582 -10.4582 -10.4162 -10.4162 -10.3185 -10.3185 0.6307 0.6307 2.2203 2.2203 3.6103 3.6103 4.3309 4.3309 8.5494 8.5494 9.0432 9.0432 9.9661 9.9661 10.0167 10.0167 k =-0.1628 0.0859 0.0000 ( 3217 PWs) bands (ev): -28.8630 -28.8630 -28.8042 -28.8042 -11.8044 -11.8044 -11.5569 -11.5569 -10.7431 -10.7431 -10.4637 -10.4637 -10.4201 -10.4201 -10.3199 -10.3199 0.6735 0.6735 2.2302 2.2302 3.5851 3.5851 4.2907 4.2907 8.5307 8.5307 9.0548 9.0548 9.9430 9.9430 10.0668 10.0668 k =-0.1744 0.0920 0.0000 ( 3217 PWs) bands (ev): -28.8624 -28.8624 -28.8038 -28.8038 -11.8045 -11.8045 -11.5604 -11.5604 -10.7443 -10.7443 -10.4695 -10.4695 -10.4241 -10.4241 -10.3212 -10.3212 0.7189 0.7189 2.2403 2.2403 3.5590 3.5590 4.2489 4.2489 8.5144 8.5144 9.0671 9.0671 9.9193 9.9193 10.1194 10.1194 k =-0.1860 0.0982 0.0000 ( 3213 PWs) bands (ev): -28.8618 -28.8618 -28.8033 -28.8033 -11.8046 -11.8046 -11.5641 -11.5641 -10.7455 -10.7455 -10.4755 -10.4755 -10.4283 -10.4283 -10.3226 -10.3226 0.7667 0.7667 2.2504 2.2504 3.5321 3.5321 4.2057 4.2057 8.5006 8.5006 9.0802 9.0802 9.8950 9.8950 10.1707 10.1707 k =-0.1977 0.1043 0.0000 ( 3213 PWs) bands (ev): -28.8613 -28.8613 -28.8029 -28.8029 -11.8048 -11.8048 -11.5680 -11.5680 -10.7467 -10.7467 -10.4817 -10.4817 -10.4325 -10.4325 -10.3240 -10.3240 0.8167 0.8167 2.2603 2.2603 3.5045 3.5045 4.1614 4.1614 8.4894 8.4894 9.0942 9.0942 9.8702 9.8702 10.1991 10.1991 k =-0.2093 0.1105 0.0000 ( 3209 PWs) bands (ev): -28.8607 -28.8607 -28.8024 -28.8024 -11.8050 -11.8050 -11.5720 -11.5720 -10.7480 -10.7480 -10.4880 -10.4880 -10.4369 -10.4369 -10.3253 -10.3253 0.8688 0.8688 2.2701 2.2701 3.4765 3.4765 4.1160 4.1160 8.4809 8.4809 9.1092 9.1092 9.8453 9.8453 10.2075 10.2075 k =-0.2209 0.1166 0.0000 ( 3221 PWs) bands (ev): -28.8600 -28.8600 -28.8020 -28.8020 -11.8052 -11.8052 -11.5761 -11.5761 -10.7493 -10.7493 -10.4944 -10.4944 -10.4412 -10.4412 -10.3266 -10.3266 0.9229 0.9229 2.2796 2.2796 3.4481 3.4481 4.0697 4.0697 8.4750 8.4750 9.1255 9.1255 9.8202 9.8202 10.2126 10.2126 k =-0.2326 0.1227 0.0000 ( 3215 PWs) bands (ev): -28.8594 -28.8594 -28.8015 -28.8015 -11.8054 -11.8054 -11.5803 -11.5803 -10.7507 -10.7507 -10.5009 -10.5009 -10.4456 -10.4456 -10.3279 -10.3279 0.9788 0.9788 2.2888 2.2888 3.4196 3.4196 4.0227 4.0227 8.4715 8.4715 9.1431 9.1431 9.7951 9.7951 10.2170 10.2170 k =-0.2442 0.1289 0.0000 ( 3215 PWs) bands (ev): -28.8588 -28.8588 -28.8010 -28.8010 -11.8057 -11.8057 -11.5846 -11.5846 -10.7520 -10.7520 -10.5074 -10.5074 -10.4500 -10.4500 -10.3292 -10.3292 1.0362 1.0362 2.2975 2.2975 3.3911 3.3911 3.9752 3.9752 8.4703 8.4703 9.1623 9.1623 9.7702 9.7702 10.2212 10.2212 k =-0.2558 0.1350-0.0000 ( 3213 PWs) bands (ev): -28.8581 -28.8581 -28.8005 -28.8005 -11.8059 -11.8059 -11.5889 -11.5889 -10.7534 -10.7534 -10.5138 -10.5138 -10.4543 -10.4543 -10.3304 -10.3304 1.0952 1.0952 2.3058 2.3058 3.3628 3.3628 3.9273 3.9273 8.4711 8.4711 9.1834 9.1834 9.7456 9.7456 10.2254 10.2254 k =-0.2674 0.1411 0.0000 ( 3221 PWs) bands (ev): -28.8575 -28.8575 -28.8001 -28.8001 -11.8062 -11.8062 -11.5932 -11.5932 -10.7547 -10.7547 -10.5203 -10.5203 -10.4586 -10.4586 -10.3316 -10.3316 1.1553 1.1553 2.3135 2.3135 3.3347 3.3347 3.8791 3.8791 8.4735 8.4735 9.2066 9.2066 9.7215 9.7215 10.2295 10.2295 k =-0.2791 0.1473-0.0000 ( 3225 PWs) bands (ev): -28.8569 -28.8569 -28.7996 -28.7996 -11.8066 -11.8066 -11.5976 -11.5976 -10.7561 -10.7561 -10.5266 -10.5266 -10.4628 -10.4628 -10.3327 -10.3327 1.2165 1.2165 2.3206 2.3206 3.3070 3.3070 3.8306 3.8306 8.4773 8.4773 9.2322 9.2322 9.6978 9.6978 10.2336 10.2336 k =-0.2907 0.1534-0.0000 ( 3219 PWs) bands (ev): -28.8563 -28.8563 -28.7991 -28.7991 -11.8069 -11.8069 -11.6019 -11.6019 -10.7574 -10.7574 -10.5328 -10.5328 -10.4669 -10.4669 -10.3338 -10.3338 1.2785 1.2785 2.3272 2.3272 3.2799 3.2799 3.7821 3.7821 8.4819 8.4819 9.2605 9.2605 9.6748 9.6748 10.2377 10.2377 k =-0.3023 0.1595 0.0000 ( 3213 PWs) bands (ev): -28.8557 -28.8557 -28.7987 -28.7987 -11.8072 -11.8072 -11.6061 -11.6061 -10.7587 -10.7587 -10.5388 -10.5388 -10.4709 -10.4709 -10.3348 -10.3348 1.3411 1.3411 2.3332 2.3332 3.2536 3.2536 3.7337 3.7337 8.4871 8.4871 9.2919 9.2919 9.6525 9.6525 10.2418 10.2418 k =-0.3140 0.1657-0.0000 ( 3211 PWs) bands (ev): -28.8551 -28.8551 -28.7982 -28.7982 -11.8076 -11.8076 -11.6103 -11.6103 -10.7600 -10.7600 -10.5447 -10.5447 -10.4747 -10.4747 -10.3358 -10.3358 1.4042 1.4042 2.3386 2.3386 3.2280 3.2280 3.6853 3.6853 8.4922 8.4922 9.3265 9.3265 9.6311 9.6311 10.2459 10.2459 k =-0.3256 0.1718 0.0000 ( 3207 PWs) bands (ev): -28.8545 -28.8545 -28.7978 -28.7978 -11.8080 -11.8080 -11.6144 -11.6144 -10.7613 -10.7613 -10.5503 -10.5503 -10.4784 -10.4784 -10.3368 -10.3368 1.4673 1.4673 2.3433 2.3433 3.2034 3.2034 3.6372 3.6372 8.4970 8.4970 9.3645 9.3645 9.6106 9.6106 10.2499 10.2499 k =-0.3372 0.1779 0.0000 ( 3211 PWs) bands (ev): -28.8539 -28.8539 -28.7974 -28.7974 -11.8083 -11.8083 -11.6183 -11.6183 -10.7625 -10.7625 -10.5557 -10.5557 -10.4819 -10.4819 -10.3377 -10.3377 1.5303 1.5303 2.3476 2.3476 3.1798 3.1798 3.5893 3.5893 8.5011 8.5011 9.4059 9.4059 9.5912 9.5912 10.2540 10.2540 k =-0.3488 0.1841-0.0000 ( 3203 PWs) bands (ev): -28.8534 -28.8534 -28.7970 -28.7970 -11.8087 -11.8087 -11.6221 -11.6221 -10.7636 -10.7636 -10.5608 -10.5608 -10.4853 -10.4853 -10.3385 -10.3385 1.5928 1.5928 2.3512 2.3512 3.1574 3.1574 3.5419 3.5419 8.5043 8.5043 9.4505 9.4505 9.5731 9.5731 10.2580 10.2580 k =-0.3605 0.1902 0.0000 ( 3205 PWs) bands (ev): -28.8529 -28.8529 -28.7966 -28.7966 -11.8091 -11.8091 -11.6258 -11.6258 -10.7647 -10.7647 -10.5657 -10.5657 -10.4884 -10.4884 -10.3393 -10.3393 1.6546 1.6546 2.3543 2.3543 3.1363 3.1363 3.4952 3.4952 8.5065 8.5065 9.4972 9.4972 9.5574 9.5574 10.2619 10.2619 k =-0.3721 0.1964 0.0000 ( 3197 PWs) bands (ev): -28.8524 -28.8524 -28.7962 -28.7962 -11.8094 -11.8094 -11.6292 -11.6292 -10.7658 -10.7658 -10.5702 -10.5702 -10.4913 -10.4913 -10.3401 -10.3401 1.7153 1.7153 2.3570 2.3570 3.1165 3.1165 3.4492 3.4492 8.5076 8.5076 9.5293 9.5293 9.5603 9.5603 10.2658 10.2658 k =-0.3837 0.2025-0.0000 ( 3193 PWs) bands (ev): -28.8520 -28.8520 -28.7959 -28.7959 -11.8098 -11.8098 -11.6324 -11.6324 -10.7668 -10.7668 -10.5744 -10.5744 -10.4940 -10.4940 -10.3407 -10.3407 1.7745 1.7745 2.3592 2.3592 3.0982 3.0982 3.4041 3.4041 8.5077 8.5077 9.5205 9.5205 9.6077 9.6077 10.2696 10.2696 k =-0.3953 0.2086 0.0000 ( 3193 PWs) bands (ev): -28.8516 -28.8516 -28.7956 -28.7956 -11.8101 -11.8101 -11.6354 -11.6354 -10.7677 -10.7677 -10.5782 -10.5782 -10.4964 -10.4964 -10.3414 -10.3414 1.8316 1.8316 2.3610 2.3610 3.0813 3.0813 3.3604 3.3604 8.5068 8.5068 9.5077 9.5077 9.6618 9.6618 10.2733 10.2733 k =-0.4070 0.2148 0.0000 ( 3185 PWs) bands (ev): -28.8512 -28.8512 -28.7953 -28.7953 -11.8104 -11.8104 -11.6381 -11.6381 -10.7685 -10.7685 -10.5817 -10.5817 -10.4986 -10.4986 -10.3419 -10.3419 1.8863 1.8863 2.3625 2.3625 3.0661 3.0661 3.3183 3.3183 8.5052 8.5052 9.4957 9.4957 9.7169 9.7169 10.2770 10.2770 k =-0.4186 0.2209-0.0000 ( 3189 PWs) bands (ev): -28.8509 -28.8509 -28.7951 -28.7951 -11.8107 -11.8107 -11.6406 -11.6406 -10.7692 -10.7692 -10.5847 -10.5847 -10.5006 -10.5006 -10.3424 -10.3424 1.9379 1.9379 2.3637 2.3637 3.0525 3.0525 3.2783 3.2783 8.5031 8.5031 9.4848 9.4848 9.7715 9.7715 10.2806 10.2806 k =-0.4302 0.2270 0.0000 ( 3191 PWs) bands (ev): -28.8506 -28.8506 -28.7948 -28.7948 -11.8110 -11.8110 -11.6427 -11.6427 -10.7699 -10.7699 -10.5874 -10.5874 -10.5023 -10.5023 -10.3428 -10.3428 1.9855 1.9855 2.3646 2.3646 3.0405 3.0405 3.2410 3.2410 8.5006 8.5006 9.4753 9.4753 9.8238 9.8238 10.2842 10.2842 k =-0.4419 0.2332-0.0000 ( 3187 PWs) bands (ev): -28.8503 -28.8503 -28.7947 -28.7947 -11.8112 -11.8112 -11.6446 -11.6446 -10.7704 -10.7704 -10.5898 -10.5898 -10.5038 -10.5038 -10.3432 -10.3432 2.0285 2.0285 2.3652 2.3652 3.0304 3.0304 3.2071 3.2071 8.4981 8.4981 9.4671 9.4671 9.8723 9.8723 10.2878 10.2878 k =-0.4535 0.2393-0.0000 ( 3187 PWs) bands (ev): -28.8501 -28.8501 -28.7945 -28.7945 -11.8114 -11.8114 -11.6461 -11.6461 -10.7709 -10.7709 -10.5916 -10.5916 -10.5050 -10.5050 -10.3435 -10.3435 2.0658 2.0658 2.3657 2.3657 3.0220 3.0220 3.1774 3.1774 8.4957 8.4957 9.4604 9.4604 9.9152 9.9152 10.2912 10.2912 k =-0.4651 0.2454 0.0000 ( 3181 PWs) bands (ev): -28.8500 -28.8500 -28.7944 -28.7944 -11.8115 -11.8115 -11.6473 -11.6473 -10.7713 -10.7713 -10.5931 -10.5931 -10.5059 -10.5059 -10.3437 -10.3437 2.0963 2.0963 2.3661 2.3661 3.0154 3.0154 3.1528 3.1528 8.4936 8.4936 9.4552 9.4552 9.9507 9.9507 10.2944 10.2944 k =-0.4767 0.2516-0.0000 ( 3183 PWs) bands (ev): -28.8499 -28.8499 -28.7943 -28.7943 -11.8116 -11.8116 -11.6482 -11.6482 -10.7715 -10.7715 -10.5942 -10.5942 -10.5066 -10.5066 -10.3439 -10.3439 2.1192 2.1192 2.3663 2.3663 3.0107 3.0107 3.1344 3.1344 8.4920 8.4920 9.4514 9.4514 9.9772 9.9772 10.2971 10.2971 k =-0.4884 0.2577 0.0000 ( 3191 PWs) bands (ev): -28.8498 -28.8498 -28.7942 -28.7942 -11.8117 -11.8117 -11.6487 -11.6487 -10.7717 -10.7717 -10.5948 -10.5948 -10.5070 -10.5070 -10.3440 -10.3440 2.1333 2.1333 2.3664 2.3664 3.0078 3.0078 3.1229 3.1229 8.4910 8.4910 9.4491 9.4491 9.9936 9.9936 10.2989 10.2989 k =-0.5000 0.2639 0.0000 ( 3190 PWs) bands (ev): -28.8498 -28.8498 -28.7942 -28.7942 -11.8117 -11.8117 -11.6489 -11.6489 -10.7717 -10.7717 -10.5950 -10.5950 -10.5071 -10.5071 -10.3441 -10.3441 2.1381 2.1381 2.3665 2.3665 3.0069 3.0069 3.1190 3.1190 8.4906 8.4906 9.4484 9.4484 9.9992 9.9992 10.2995 10.2995 k =-0.5000 0.2639 0.0000 ( 3190 PWs) bands (ev): -28.8498 -28.8498 -28.7942 -28.7942 -11.8117 -11.8117 -11.6489 -11.6489 -10.7717 -10.7717 -10.5950 -10.5950 -10.5071 -10.5071 -10.3441 -10.3441 2.1381 2.1381 2.3665 2.3665 3.0069 3.0069 3.1190 3.1190 8.4906 8.4906 9.4484 9.4484 9.9992 9.9992 10.2995 10.2995 k =-0.4940 0.2753-0.0000 ( 3184 PWs) bands (ev): -28.8497 -28.8497 -28.7942 -28.7942 -11.8117 -11.8117 -11.6490 -11.6490 -10.7717 -10.7717 -10.5951 -10.5951 -10.5075 -10.5075 -10.3446 -10.3446 2.1408 2.1408 2.3689 2.3689 3.0077 3.0077 3.1192 3.1192 8.4907 8.4907 9.4425 9.4425 9.9969 9.9969 10.2959 10.2959 k =-0.4880 0.2866-0.0000 ( 3182 PWs) bands (ev): -28.8496 -28.8496 -28.7942 -28.7942 -11.8117 -11.8117 -11.6493 -11.6493 -10.7715 -10.7715 -10.5955 -10.5955 -10.5087 -10.5087 -10.3463 -10.3463 2.1489 2.1489 2.3764 2.3764 3.0099 3.0099 3.1195 3.1195 8.4909 8.4909 9.4252 9.4252 9.9902 9.9902 10.2850 10.2850 k =-0.4820 0.2980-0.0000 ( 3178 PWs) bands (ev): -28.8493 -28.8493 -28.7941 -28.7941 -11.8117 -11.8117 -11.6498 -11.6498 -10.7713 -10.7713 -10.5960 -10.5960 -10.5105 -10.5105 -10.3491 -10.3491 2.1624 2.1624 2.3886 2.3886 3.0138 3.0138 3.1201 3.1201 8.4911 8.4911 9.3969 9.3969 9.9795 9.9795 10.2670 10.2670 k =-0.4759 0.3094-0.0000 ( 3176 PWs) bands (ev): -28.8490 -28.8490 -28.7941 -28.7941 -11.8118 -11.8118 -11.6505 -11.6505 -10.7709 -10.7709 -10.5967 -10.5967 -10.5131 -10.5131 -10.3529 -10.3529 2.1811 2.1811 2.4058 2.4058 3.0191 3.0191 3.1208 3.1208 8.4912 8.4912 9.3587 9.3587 9.9653 9.9653 10.2424 10.2424 k =-0.4699 0.3208-0.0000 ( 3172 PWs) bands (ev): -28.8485 -28.8485 -28.7940 -28.7940 -11.8118 -11.8118 -11.6515 -11.6515 -10.7705 -10.7705 -10.5977 -10.5977 -10.5163 -10.5163 -10.3578 -10.3578 2.2052 2.2052 2.4276 2.4276 3.0259 3.0259 3.1218 3.1218 8.4912 8.4912 9.3117 9.3117 9.9483 9.9483 10.2115 10.2115 k =-0.4639 0.3322-0.0000 ( 3184 PWs) bands (ev): -28.8480 -28.8480 -28.7939 -28.7939 -11.8119 -11.8119 -11.6527 -11.6527 -10.7700 -10.7700 -10.5990 -10.5990 -10.5200 -10.5200 -10.3637 -10.3637 2.2342 2.2342 2.4539 2.4539 3.0342 3.0342 3.1230 3.1230 8.4909 8.4909 9.2573 9.2573 9.9293 9.9293 10.1751 10.1751 k =-0.4579 0.3436-0.0000 ( 3186 PWs) bands (ev): -28.8473 -28.8473 -28.7937 -28.7937 -11.8120 -11.8120 -11.6541 -11.6541 -10.7694 -10.7694 -10.6005 -10.6005 -10.5243 -10.5243 -10.3706 -10.3706 2.2683 2.2683 2.4847 2.4847 3.0440 3.0440 3.1245 3.1245 8.4902 8.4902 9.1966 9.1966 9.9092 9.9092 10.1337 10.1337 k =-0.4519 0.3550-0.0000 ( 3186 PWs) bands (ev): -28.8466 -28.8466 -28.7936 -28.7936 -11.8121 -11.8121 -11.6557 -11.6557 -10.7689 -10.7689 -10.6023 -10.6023 -10.5289 -10.5289 -10.3783 -10.3783 2.3073 2.3073 2.5197 2.5197 3.0551 3.0551 3.1261 3.1261 8.4888 8.4888 9.1310 9.1310 9.8887 9.8887 10.0882 10.0882 k =-0.4459 0.3664-0.0000 ( 3186 PWs) bands (ev): -28.8458 -28.8458 -28.7935 -28.7935 -11.8122 -11.8122 -11.6576 -11.6576 -10.7683 -10.7683 -10.6044 -10.6044 -10.5337 -10.5337 -10.3869 -10.3869 2.3508 2.3508 2.5587 2.5587 3.0677 3.0677 3.1281 3.1281 8.4866 8.4866 9.0615 9.0615 9.8685 9.8685 10.0395 10.0395 k =-0.4399 0.3778-0.0000 ( 3188 PWs) bands (ev): -28.8449 -28.8449 -28.7933 -28.7933 -11.8124 -11.8124 -11.6597 -11.6597 -10.7678 -10.7678 -10.6068 -10.6068 -10.5387 -10.5387 -10.3961 -10.3961 2.3988 2.3988 2.6014 2.6014 3.0815 3.0815 3.1302 3.1302 8.4835 8.4835 8.9893 8.9893 9.8487 9.8487 9.9891 9.9891 k =-0.4339 0.3892-0.0000 ( 3192 PWs) bands (ev): -28.8439 -28.8439 -28.7932 -28.7932 -11.8126 -11.8126 -11.6621 -11.6621 -10.7674 -10.7674 -10.6096 -10.6096 -10.5437 -10.5437 -10.4061 -10.4061 2.4510 2.4510 2.6476 2.6476 3.0965 3.0965 3.1327 3.1327 8.4792 8.4792 8.9153 8.9153 9.8280 9.8280 9.9394 9.9394 k =-0.4278 0.4006-0.0000 ( 3192 PWs) bands (ev): -28.8428 -28.8428 -28.7930 -28.7930 -11.8129 -11.8129 -11.6647 -11.6647 -10.7672 -10.7672 -10.6127 -10.6127 -10.5486 -10.5486 -10.4165 -10.4165 2.5071 2.5071 2.6970 2.6970 3.1124 3.1124 3.1358 3.1358 8.4738 8.4738 8.8402 8.8402 9.8024 9.8024 9.8959 9.8959 k =-0.4218 0.4120-0.0000 ( 3188 PWs) bands (ev): -28.8417 -28.8417 -28.7928 -28.7928 -11.8132 -11.8132 -11.6676 -11.6676 -10.7671 -10.7671 -10.6161 -10.6161 -10.5532 -10.5532 -10.4275 -10.4275 2.5670 2.5670 2.7491 2.7491 3.1280 3.1280 3.1406 3.1406 8.4672 8.4672 8.7648 8.7648 9.7648 9.7648 9.8668 9.8668 k =-0.4158 0.4234-0.0000 ( 3184 PWs) bands (ev): -28.8405 -28.8405 -28.7927 -28.7927 -11.8136 -11.8136 -11.6708 -11.6708 -10.7672 -10.7672 -10.6199 -10.6199 -10.5575 -10.5575 -10.4388 -10.4388 2.6301 2.6301 2.8037 2.8037 3.1372 3.1372 3.1531 3.1531 8.4593 8.4593 8.6898 8.6898 9.7147 9.7147 9.8536 9.8536 k =-0.4098 0.4348-0.0000 ( 3196 PWs) bands (ev): -28.8392 -28.8392 -28.7926 -28.7926 -11.8140 -11.8140 -11.6743 -11.6743 -10.7677 -10.7677 -10.6239 -10.6239 -10.5615 -10.5615 -10.4504 -10.4504 2.6962 2.6962 2.8604 2.8604 3.1416 3.1416 3.1718 3.1718 8.4504 8.4504 8.6156 8.6156 9.6578 9.6578 9.8512 9.8512 k =-0.4038 0.4462-0.0000 ( 3198 PWs) bands (ev): -28.8379 -28.8379 -28.7924 -28.7924 -11.8145 -11.8145 -11.6780 -11.6780 -10.7684 -10.7684 -10.6281 -10.6281 -10.5650 -10.5650 -10.4621 -10.4621 2.7650 2.7650 2.9187 2.9187 3.1453 3.1453 3.1923 3.1923 8.4406 8.4406 8.5428 8.5428 9.5980 9.5980 9.8566 9.8566 k =-0.3978 0.4576-0.0000 ( 3190 PWs) bands (ev): -28.8365 -28.8365 -28.7923 -28.7923 -11.8150 -11.8150 -11.6820 -11.6820 -10.7696 -10.7696 -10.6324 -10.6324 -10.5681 -10.5681 -10.4739 -10.4739 2.8359 2.8359 2.9782 2.9782 3.1490 3.1490 3.2141 3.2141 8.4301 8.4301 8.4719 8.4719 9.5370 9.5370 9.8682 9.8682 k =-0.3918 0.4689-0.0000 ( 3194 PWs) bands (ev): -28.8351 -28.8351 -28.7922 -28.7922 -11.8156 -11.8156 -11.6862 -11.6862 -10.7711 -10.7711 -10.6366 -10.6366 -10.5708 -10.5708 -10.4856 -10.4856 2.9082 2.9082 3.0386 3.0386 3.1531 3.1531 3.2368 3.2368 8.4019 8.4019 8.4206 8.4206 9.4757 9.4757 9.8856 9.8856 k =-0.3858 0.4803-0.0000 ( 3182 PWs) bands (ev): -28.8336 -28.8336 -28.7922 -28.7922 -11.8162 -11.8162 -11.6908 -11.6908 -10.7729 -10.7729 -10.6409 -10.6409 -10.5731 -10.5731 -10.4971 -10.4971 2.9811 2.9811 3.0993 3.0993 3.1580 3.1580 3.2603 3.2603 8.3360 8.3360 8.4095 8.4095 9.4147 9.4147 9.9083 9.9083 k =-0.3797 0.4917-0.0000 ( 3182 PWs) bands (ev): -28.8321 -28.8321 -28.7921 -28.7921 -11.8169 -11.8169 -11.6956 -11.6956 -10.7752 -10.7752 -10.6451 -10.6451 -10.5750 -10.5750 -10.5082 -10.5082 3.0522 3.0522 3.1592 3.1592 3.1661 3.1661 3.2846 3.2846 8.2725 8.2725 8.3995 8.3995 9.3545 9.3545 9.9359 9.9359 k =-0.3737 0.5031-0.0000 ( 3184 PWs) bands (ev): -28.8306 -28.8306 -28.7921 -28.7921 -11.8176 -11.8176 -11.7006 -11.7006 -10.7778 -10.7778 -10.6492 -10.6492 -10.5765 -10.5765 -10.5189 -10.5189 3.1131 3.1131 3.1821 3.1821 3.2214 3.2214 3.3095 3.3095 8.2120 8.2120 8.3903 8.3903 9.2954 9.2954 9.9680 9.9680 k =-0.3677 0.5145-0.0000 ( 3190 PWs) bands (ev): -28.8291 -28.8291 -28.7922 -28.7922 -11.8183 -11.8183 -11.7058 -11.7058 -10.7806 -10.7806 -10.6535 -10.6535 -10.5776 -10.5776 -10.5289 -10.5289 3.1430 3.1430 3.2287 3.2287 3.2825 3.2825 3.3350 3.3350 8.1549 8.1549 8.3825 8.3825 9.2375 9.2375 10.0042 10.0042 k =-0.3617 0.5259-0.0000 ( 3200 PWs) bands (ev): -28.8276 -28.8276 -28.7923 -28.7923 -11.8189 -11.8189 -11.7113 -11.7113 -10.7836 -10.7836 -10.6579 -10.6579 -10.5784 -10.5784 -10.5382 -10.5382 3.1523 3.1523 3.2919 3.2919 3.3447 3.3447 3.3614 3.3614 8.1013 8.1013 8.3764 8.3764 9.1813 9.1813 10.0440 10.0440 k =-0.3557 0.5373-0.0000 ( 3204 PWs) bands (ev): -28.8260 -28.8260 -28.7924 -28.7924 -11.8196 -11.8196 -11.7169 -11.7169 -10.7866 -10.7866 -10.6627 -10.6627 -10.5787 -10.5787 -10.5466 -10.5466 3.1563 3.1563 3.3533 3.3533 3.3875 3.3875 3.4111 3.4111 8.0516 8.0516 8.3723 8.3723 9.1268 9.1268 10.0284 10.0284 k =-0.3497 0.5487-0.0000 ( 3186 PWs) bands (ev): -28.8244 -28.8244 -28.7926 -28.7926 -11.8202 -11.8202 -11.7226 -11.7226 -10.7896 -10.7896 -10.6678 -10.6678 -10.5786 -10.5786 -10.5540 -10.5540 3.1581 3.1581 3.4033 3.4033 3.4211 3.4211 3.4797 3.4797 8.0058 8.0058 8.3706 8.3706 9.0743 9.0743 9.9838 9.9838 k =-0.3437 0.5601-0.0000 ( 3190 PWs) bands (ev): -28.8229 -28.8229 -28.7928 -28.7928 -11.8207 -11.8207 -11.7285 -11.7285 -10.7924 -10.7924 -10.6734 -10.6734 -10.5781 -10.5781 -10.5604 -10.5604 3.1583 3.1583 3.4348 3.4348 3.4674 3.4674 3.5501 3.5501 7.9643 7.9643 8.3714 8.3714 9.0238 9.0238 9.9481 9.9481 k =-0.3377 0.5715-0.0000 ( 3194 PWs) bands (ev): -28.8213 -28.8213 -28.7931 -28.7931 -11.8211 -11.8211 -11.7344 -11.7344 -10.7951 -10.7951 -10.6796 -10.6796 -10.5771 -10.5771 -10.5657 -10.5657 3.1571 3.1571 3.4617 3.4617 3.5133 3.5133 3.6205 3.6205 7.9271 7.9271 8.3750 8.3750 8.9756 8.9756 9.9215 9.9215 k =-0.3316 0.5829-0.0000 ( 3198 PWs) bands (ev): -28.8198 -28.8198 -28.7934 -28.7934 -11.8214 -11.8214 -11.7404 -11.7404 -10.7974 -10.7974 -10.6863 -10.6863 -10.5757 -10.5757 -10.5700 -10.5700 3.1542 3.1542 3.4878 3.4878 3.5558 3.5558 3.6894 3.6894 7.8945 7.8945 8.3815 8.3815 8.9298 8.9298 9.9038 9.9038 k =-0.3256 0.5943-0.0000 ( 3204 PWs) bands (ev): -28.8183 -28.8183 -28.7938 -28.7938 -11.8215 -11.8215 -11.7464 -11.7464 -10.7992 -10.7992 -10.6935 -10.6935 -10.5739 -10.5739 -10.5735 -10.5735 3.1493 3.1493 3.5133 3.5133 3.5946 3.5946 3.7560 3.7560 7.8665 7.8665 8.3909 8.3909 8.8865 8.8865 9.8949 9.8949 k =-0.3196 0.6057-0.0000 ( 3200 PWs) bands (ev): -28.8168 -28.8168 -28.7943 -28.7943 -11.8214 -11.8214 -11.7523 -11.7523 -10.8006 -10.8006 -10.7010 -10.7010 -10.5761 -10.5761 -10.5716 -10.5716 3.1422 3.1422 3.5382 3.5382 3.6301 3.6301 3.8197 3.8197 7.8434 7.8434 8.4031 8.4031 8.8457 8.8457 9.8942 9.8942 k =-0.3196 0.6057-0.0000 ( 3200 PWs) bands (ev): -28.8168 -28.8168 -28.7943 -28.7943 -11.8214 -11.8214 -11.7523 -11.7523 -10.8006 -10.8006 -10.7010 -10.7010 -10.5761 -10.5761 -10.5716 -10.5716 3.1422 3.1422 3.5382 3.5382 3.6301 3.6301 3.8197 3.8197 7.8434 7.8434 8.4031 8.4031 8.8457 8.8457 9.8942 9.8942 k =-0.3196 0.6057 0.0130 ( 3206 PWs) bands (ev): -28.8168 -28.8168 -28.7943 -28.7943 -11.8214 -11.8214 -11.7524 -11.7524 -10.8006 -10.8006 -10.7013 -10.7013 -10.5762 -10.5762 -10.5710 -10.5710 3.1425 3.1425 3.5372 3.5372 3.6307 3.6307 3.8206 3.8206 7.8306 7.8306 8.4162 8.4162 8.8342 8.8342 9.9009 9.9009 k =-0.3196 0.6057 0.0261 ( 3204 PWs) bands (ev): -28.8167 -28.8167 -28.7944 -28.7944 -11.8215 -11.8215 -11.7528 -11.7528 -10.8004 -10.8004 -10.7023 -10.7023 -10.5763 -10.5763 -10.5696 -10.5696 3.1434 3.1434 3.5340 3.5340 3.6325 3.6325 3.8234 3.8234 7.7956 7.7956 8.4522 8.4522 8.8009 8.8009 9.9198 9.9198 k =-0.3196 0.6057 0.0391 ( 3203 PWs) bands (ev): -28.8166 -28.8166 -28.7945 -28.7945 -11.8216 -11.8216 -11.7534 -11.7534 -10.8001 -10.8001 -10.7038 -10.7038 -10.5762 -10.5762 -10.5676 -10.5676 3.1450 3.1450 3.5290 3.5290 3.6355 3.6355 3.8279 3.8279 7.7451 7.7451 8.5042 8.5042 8.7490 8.7490 9.9482 9.9482 k =-0.3196 0.6057 0.0522 ( 3214 PWs) bands (ev): -28.8164 -28.8164 -28.7947 -28.7947 -11.8217 -11.8217 -11.7542 -11.7542 -10.7996 -10.7996 -10.7059 -10.7059 -10.5757 -10.5757 -10.5651 -10.5651 3.1471 3.1471 3.5223 3.5223 3.6396 3.6396 3.8337 3.8337 7.6854 7.6854 8.5652 8.5652 8.6833 8.6833 9.9827 9.9827 k =-0.3196 0.6057 0.0652 ( 3212 PWs) bands (ev): -28.8162 -28.8162 -28.7949 -28.7949 -11.8219 -11.8219 -11.7553 -11.7553 -10.7991 -10.7991 -10.7084 -10.7084 -10.5750 -10.5750 -10.5622 -10.5622 3.1498 3.1498 3.5143 3.5143 3.6448 3.6448 3.8408 3.8408 7.6210 7.6210 8.5934 8.5934 8.6455 8.6455 10.0205 10.0205 k =-0.3196 0.6057 0.0783 ( 3212 PWs) bands (ev): -28.8160 -28.8160 -28.7951 -28.7951 -11.8221 -11.8221 -11.7565 -11.7565 -10.7984 -10.7984 -10.7112 -10.7112 -10.5739 -10.5739 -10.5591 -10.5591 3.1531 3.1531 3.5052 3.5052 3.6510 3.6510 3.8488 3.8488 7.5547 7.5547 8.5133 8.5133 8.7115 8.7115 10.0594 10.0594 k =-0.3196 0.6057 0.0913 ( 3206 PWs) bands (ev): -28.8157 -28.8157 -28.7954 -28.7954 -11.8222 -11.8222 -11.7580 -11.7580 -10.7977 -10.7977 -10.7143 -10.7143 -10.5726 -10.5726 -10.5558 -10.5558 3.1569 3.1569 3.4952 3.4952 3.6581 3.6581 3.8575 3.8575 7.4883 7.4883 8.4223 8.4223 8.7853 8.7853 10.0978 10.0978 k =-0.3196 0.6057 0.1044 ( 3206 PWs) bands (ev): -28.8154 -28.8154 -28.7957 -28.7957 -11.8224 -11.8224 -11.7597 -11.7597 -10.7969 -10.7969 -10.7177 -10.7177 -10.5709 -10.5709 -10.5525 -10.5525 3.1612 3.1612 3.4845 3.4845 3.6663 3.6663 3.8664 3.8664 7.4231 7.4231 8.3274 8.3274 8.8610 8.8610 10.1350 10.1350 k =-0.3196 0.6057 0.1174 ( 3210 PWs) bands (ev): -28.8150 -28.8150 -28.7961 -28.7961 -11.8226 -11.8226 -11.7615 -11.7615 -10.7960 -10.7960 -10.7211 -10.7211 -10.5690 -10.5690 -10.5491 -10.5491 3.1660 3.1660 3.4733 3.4733 3.6753 3.6753 3.8755 3.8755 7.3603 7.3603 8.2306 8.2306 8.9377 8.9377 10.1707 10.1707 k =-0.3196 0.6057 0.1305 ( 3212 PWs) bands (ev): -28.8147 -28.8147 -28.7965 -28.7965 -11.8227 -11.8227 -11.7634 -11.7634 -10.7951 -10.7951 -10.7246 -10.7246 -10.5669 -10.5669 -10.5457 -10.5457 3.1713 3.1713 3.4618 3.4618 3.6852 3.6852 3.8844 3.8844 7.3005 7.3005 8.1332 8.1332 9.0152 9.0152 10.2048 10.2048 k =-0.3196 0.6057 0.1435 ( 3215 PWs) bands (ev): -28.8142 -28.8142 -28.7969 -28.7969 -11.8228 -11.8228 -11.7655 -11.7655 -10.7942 -10.7942 -10.7281 -10.7281 -10.5647 -10.5647 -10.5425 -10.5425 3.1770 3.1770 3.4500 3.4500 3.6960 3.6960 3.8929 3.8929 7.2443 7.2443 8.0363 8.0363 9.0934 9.0934 10.2375 10.2375 k =-0.3196 0.6057 0.1566 ( 3210 PWs) bands (ev): -28.8137 -28.8137 -28.7974 -28.7974 -11.8229 -11.8229 -11.7677 -11.7677 -10.7932 -10.7932 -10.7316 -10.7316 -10.5622 -10.5622 -10.5394 -10.5394 3.1831 3.1831 3.4380 3.4380 3.7075 3.7075 3.9009 3.9009 7.1924 7.1924 7.9407 7.9407 9.1723 9.1723 10.2691 10.2691 k =-0.3196 0.6057 0.1696 ( 3213 PWs) bands (ev): -28.8132 -28.8132 -28.7979 -28.7979 -11.8229 -11.8229 -11.7699 -11.7699 -10.7922 -10.7922 -10.7350 -10.7350 -10.5596 -10.5596 -10.5365 -10.5365 3.1896 3.1896 3.4260 3.4260 3.7198 3.7198 3.9080 3.9080 7.1452 7.1452 7.8472 7.8472 9.2520 9.2520 10.2996 10.2996 k =-0.3196 0.6057 0.1826 ( 3216 PWs) bands (ev): -28.8127 -28.8127 -28.7984 -28.7984 -11.8228 -11.8228 -11.7722 -11.7722 -10.7913 -10.7913 -10.7382 -10.7382 -10.5570 -10.5570 -10.5339 -10.5339 3.1965 3.1965 3.4140 3.4140 3.7326 3.7326 3.9142 3.9142 7.1031 7.1031 7.7563 7.7563 9.3325 9.3325 10.3295 10.3295 k =-0.3196 0.6057 0.1957 ( 3220 PWs) bands (ev): -28.8122 -28.8122 -28.7989 -28.7989 -11.8226 -11.8226 -11.7745 -11.7745 -10.7903 -10.7903 -10.7413 -10.7413 -10.5542 -10.5542 -10.5315 -10.5315 3.2037 3.2037 3.4020 3.4020 3.7460 3.7460 3.9193 3.9193 7.0665 7.0665 7.6687 7.6687 9.4140 9.4140 10.3588 10.3588 k =-0.3196 0.6057 0.2087 ( 3224 PWs) bands (ev): -28.8116 -28.8116 -28.7995 -28.7995 -11.8224 -11.8224 -11.7768 -11.7768 -10.7894 -10.7894 -10.7442 -10.7442 -10.5515 -10.5515 -10.5294 -10.5294 3.2111 3.2111 3.3901 3.3901 3.7598 3.7598 3.9231 3.9231 7.0358 7.0358 7.5847 7.5847 9.4965 9.4965 10.3876 10.3876 k =-0.3196 0.6057 0.2218 ( 3230 PWs) bands (ev): -28.8110 -28.8110 -28.8001 -28.8001 -11.8222 -11.8222 -11.7790 -11.7790 -10.7885 -10.7885 -10.7469 -10.7469 -10.5488 -10.5488 -10.5277 -10.5277 3.2189 3.2189 3.3783 3.3783 3.7739 3.7739 3.9256 3.9256 7.0111 7.0111 7.5048 7.5048 9.5801 9.5801 10.4156 10.4156 k =-0.3196 0.6057 0.2348 ( 3228 PWs) bands (ev): -28.8103 -28.8103 -28.8008 -28.8008 -11.8218 -11.8218 -11.7811 -11.7811 -10.7877 -10.7877 -10.7494 -10.7494 -10.5461 -10.5461 -10.5262 -10.5262 3.2270 3.2270 3.3667 3.3667 3.7881 3.7881 3.9267 3.9267 6.9928 6.9928 7.4294 7.4294 9.6646 9.6646 10.4425 10.4425 k =-0.3196 0.6057 0.2479 ( 3230 PWs) bands (ev): -28.8097 -28.8097 -28.8014 -28.8014 -11.8214 -11.8214 -11.7831 -11.7831 -10.7869 -10.7869 -10.7516 -10.7516 -10.5436 -10.5436 -10.5251 -10.5251 3.2353 3.2353 3.3553 3.3553 3.8021 3.8021 3.9263 3.9263 6.9811 6.9811 7.3588 7.3588 9.7501 9.7501 10.4668 10.4668 k =-0.3196 0.6057 0.2609 ( 3230 PWs) bands (ev): -28.8090 -28.8090 -28.8021 -28.8021 -11.8210 -11.8210 -11.7850 -11.7850 -10.7862 -10.7862 -10.7535 -10.7535 -10.5413 -10.5413 -10.5243 -10.5243 3.2439 3.2439 3.3441 3.3441 3.8159 3.8159 3.9245 3.9245 6.9761 6.9761 7.2934 7.2934 9.8364 9.8364 10.4856 10.4856 k =-0.3196 0.6057 0.2740 ( 3228 PWs) bands (ev): -28.8084 -28.8084 -28.8028 -28.8028 -11.8206 -11.8206 -11.7866 -11.7866 -10.7855 -10.7855 -10.7552 -10.7552 -10.5392 -10.5392 -10.5237 -10.5237 3.2528 3.2528 3.3331 3.3331 3.8291 3.8291 3.9213 3.9213 6.9778 6.9778 7.2334 7.2334 9.9234 9.9234 10.4912 10.4912 k =-0.3196 0.6057 0.2870 ( 3222 PWs) bands (ev): -28.8077 -28.8077 -28.8034 -28.8034 -11.8203 -11.8203 -11.7879 -11.7879 -10.7850 -10.7850 -10.7565 -10.7565 -10.5374 -10.5374 -10.5234 -10.5234 3.2618 3.2618 3.3224 3.3224 3.8413 3.8413 3.9171 3.9171 6.9864 6.9864 7.1792 7.1792 10.0107 10.0107 10.4709 10.4709 k =-0.3196 0.6057 0.3001 ( 3220 PWs) bands (ev): -28.8070 -28.8070 -28.8041 -28.8041 -11.8200 -11.8200 -11.7888 -11.7888 -10.7846 -10.7846 -10.7575 -10.7575 -10.5360 -10.5360 -10.5233 -10.5233 3.2711 3.2711 3.3119 3.3119 3.8518 3.8518 3.9124 3.9124 7.0019 7.0019 7.1311 7.1311 10.0980 10.0980 10.4199 10.4199 k =-0.3196 0.6057 0.3131 ( 3215 PWs) bands (ev): -28.8063 -28.8063 -28.8048 -28.8048 -11.8198 -11.8198 -11.7894 -11.7894 -10.7844 -10.7844 -10.7580 -10.7580 -10.5352 -10.5352 -10.5233 -10.5233 3.2803 3.2803 3.3020 3.3020 3.8595 3.8595 3.9082 3.9082 7.0240 7.0240 7.0892 7.0892 10.1844 10.1844 10.3492 10.3492 k =-0.3196 0.6057 0.3262 ( 3214 PWs) bands (ev): -28.8056 -28.8056 -28.8056 -28.8056 -11.8197 -11.8197 -11.7897 -11.7897 -10.7843 -10.7843 -10.7582 -10.7582 -10.5349 -10.5349 -10.5233 -10.5233 3.2869 3.2869 3.2952 3.2952 3.8625 3.8625 3.9064 3.9064 7.0489 7.0489 7.0577 7.0577 10.2664 10.2664 10.2715 10.2715 k =-0.3196 0.6057 0.3262 ( 3214 PWs) bands (ev): -28.8056 -28.8056 -28.8056 -28.8056 -11.8197 -11.8197 -11.7897 -11.7897 -10.7843 -10.7843 -10.7582 -10.7582 -10.5349 -10.5349 -10.5233 -10.5233 3.2869 3.2869 3.2952 3.2952 3.8625 3.8625 3.9064 3.9064 7.0489 7.0489 7.0577 7.0577 10.2664 10.2664 10.2715 10.2715 k =-0.3256 0.5943 0.3262 ( 3208 PWs) bands (ev): -28.8061 -28.8061 -28.8061 -28.8061 -11.8163 -11.8163 -11.7848 -11.7848 -10.7802 -10.7802 -10.7527 -10.7527 -10.5370 -10.5370 -10.5250 -10.5250 3.2783 3.2783 3.2835 3.2835 3.8230 3.8230 3.8635 3.8635 7.0648 7.0648 7.0724 7.0724 10.2695 10.2695 10.2722 10.2722 k =-0.3316 0.5829 0.3262 ( 3216 PWs) bands (ev): -28.8066 -28.8066 -28.8066 -28.8066 -11.8126 -11.8126 -11.7798 -11.7798 -10.7756 -10.7756 -10.7470 -10.7470 -10.5390 -10.5390 -10.5266 -10.5266 3.2686 3.2686 3.2705 3.2705 3.7792 3.7792 3.8161 3.8161 7.0860 7.0860 7.0925 7.0925 10.2703 10.2703 10.2710 10.2710 k =-0.3377 0.5715 0.3262 ( 3216 PWs) bands (ev): -28.8072 -28.8072 -28.8072 -28.8072 -11.8087 -11.8087 -11.7747 -11.7747 -10.7706 -10.7706 -10.7410 -10.7410 -10.5408 -10.5408 -10.5278 -10.5278 3.2563 3.2563 3.2579 3.2579 3.7316 3.7316 3.7645 3.7645 7.1126 7.1126 7.1181 7.1181 10.2689 10.2689 10.2699 10.2699 k =-0.3437 0.5601 0.3262 ( 3220 PWs) bands (ev): -28.8078 -28.8078 -28.8078 -28.8078 -11.8047 -11.8047 -11.7697 -11.7697 -10.7651 -10.7651 -10.7348 -10.7348 -10.5423 -10.5423 -10.5289 -10.5289 3.2410 3.2410 3.2464 3.2464 3.6805 3.6805 3.7090 3.7090 7.1444 7.1444 7.1489 7.1489 10.2670 10.2670 10.2692 10.2692 k =-0.3497 0.5487 0.3262 ( 3216 PWs) bands (ev): -28.8085 -28.8085 -28.8085 -28.8085 -11.8004 -11.8004 -11.7646 -11.7646 -10.7594 -10.7594 -10.7286 -10.7286 -10.5435 -10.5435 -10.5295 -10.5295 3.2245 3.2245 3.2342 3.2342 3.6267 3.6267 3.6503 3.6503 7.1811 7.1811 7.1847 7.1847 10.2661 10.2661 10.2692 10.2692 k =-0.3557 0.5373 0.3262 ( 3212 PWs) bands (ev): -28.8092 -28.8092 -28.8092 -28.8092 -11.7960 -11.7960 -11.7597 -11.7597 -10.7533 -10.7533 -10.7225 -10.7225 -10.5444 -10.5444 -10.5298 -10.5298 3.2066 3.2066 3.2212 3.2212 3.5709 3.5709 3.5888 3.5888 7.2226 7.2226 7.2254 7.2254 10.2671 10.2671 10.2706 10.2706 k =-0.3617 0.5259 0.3262 ( 3212 PWs) bands (ev): -28.8099 -28.8099 -28.8099 -28.8099 -11.7916 -11.7916 -11.7549 -11.7549 -10.7471 -10.7471 -10.7164 -10.7164 -10.5449 -10.5449 -10.5297 -10.5297 3.1870 3.1870 3.2074 3.2074 3.5141 3.5141 3.5255 3.5255 7.2686 7.2686 7.2706 7.2706 10.2703 10.2703 10.2741 10.2741 k =-0.3677 0.5145 0.3262 ( 3212 PWs) bands (ev): -28.8107 -28.8107 -28.8107 -28.8107 -11.7871 -11.7871 -11.7502 -11.7502 -10.7407 -10.7407 -10.7104 -10.7104 -10.5449 -10.5449 -10.5290 -10.5290 3.1651 3.1651 3.1926 3.1926 3.4576 3.4576 3.4611 3.4611 7.3187 7.3187 7.3200 7.3200 10.2762 10.2762 10.2800 10.2800 k =-0.3737 0.5031 0.3262 ( 3208 PWs) bands (ev): -28.8114 -28.8114 -28.8114 -28.8114 -11.7825 -11.7825 -11.7457 -11.7457 -10.7343 -10.7343 -10.7048 -10.7048 -10.5445 -10.5445 -10.5279 -10.5279 3.1401 3.1401 3.1760 3.1760 3.3971 3.3971 3.4029 3.4029 7.3725 7.3725 7.3733 7.3733 10.2849 10.2849 10.2885 10.2885 k =-0.3797 0.4917 0.3262 ( 3208 PWs) bands (ev): -28.8122 -28.8122 -28.8122 -28.8122 -11.7780 -11.7780 -11.7414 -11.7414 -10.7280 -10.7280 -10.6995 -10.6995 -10.5436 -10.5436 -10.5261 -10.5261 3.1107 3.1107 3.1565 3.1565 3.3352 3.3352 3.3518 3.3518 7.4297 7.4297 7.4300 7.4300 10.2964 10.2964 10.2997 10.2997 k =-0.3858 0.4803 0.3262 ( 3208 PWs) bands (ev): -28.8130 -28.8130 -28.8130 -28.8130 -11.7735 -11.7735 -11.7373 -11.7373 -10.7218 -10.7218 -10.6946 -10.6946 -10.5420 -10.5420 -10.5239 -10.5239 3.0758 3.0758 3.1313 3.1313 3.2789 3.2789 3.3063 3.3063 7.4898 7.4898 7.4899 7.4899 10.3107 10.3107 10.3137 10.3137 k =-0.3918 0.4689 0.3262 ( 3208 PWs) bands (ev): -28.8137 -28.8137 -28.8137 -28.8137 -11.7691 -11.7691 -11.7335 -11.7335 -10.7159 -10.7159 -10.6902 -10.6902 -10.5399 -10.5399 -10.5210 -10.5210 3.0346 3.0346 3.0966 3.0966 3.2327 3.2327 3.2676 3.2676 7.5523 7.5523 7.5528 7.5528 10.3278 10.3278 10.3303 10.3303 k =-0.3978 0.4576 0.3262 ( 3208 PWs) bands (ev): -28.8145 -28.8145 -28.8145 -28.8145 -11.7647 -11.7647 -11.7300 -11.7300 -10.7103 -10.7103 -10.6863 -10.6863 -10.5371 -10.5371 -10.5175 -10.5175 2.9878 2.9878 3.0504 3.0504 3.1990 3.1990 3.2356 3.2356 7.6171 7.6171 7.6178 7.6178 10.3475 10.3475 10.3494 10.3494 k =-0.4038 0.4462 0.3262 ( 3204 PWs) bands (ev): -28.8152 -28.8152 -28.8152 -28.8152 -11.7605 -11.7605 -11.7268 -11.7268 -10.7052 -10.7052 -10.6829 -10.6829 -10.5337 -10.5337 -10.5136 -10.5136 2.9369 2.9369 2.9958 2.9958 3.1754 3.1754 3.2095 3.2095 7.6837 7.6837 7.6846 7.6846 10.3695 10.3695 10.3709 10.3709 k =-0.4098 0.4348 0.3262 ( 3208 PWs) bands (ev): -28.8160 -28.8160 -28.8160 -28.8160 -11.7563 -11.7563 -11.7238 -11.7238 -10.7005 -10.7005 -10.6801 -10.6801 -10.5297 -10.5297 -10.5092 -10.5092 2.8837 2.8837 2.9374 2.9374 3.1577 3.1577 3.1879 3.1879 7.7517 7.7517 7.7528 7.7528 10.3936 10.3936 10.3943 10.3943 k =-0.4158 0.4234 0.3262 ( 3204 PWs) bands (ev): -28.8167 -28.8167 -28.8167 -28.8167 -11.7523 -11.7523 -11.7212 -11.7212 -10.6963 -10.6963 -10.6778 -10.6778 -10.5251 -10.5251 -10.5045 -10.5045 2.8299 2.8299 2.8783 2.8783 3.1434 3.1434 3.1696 3.1696 7.8206 7.8206 7.8217 7.8217 10.4195 10.4195 10.4196 10.4196 k =-0.4218 0.4120 0.3262 ( 3192 PWs) bands (ev): -28.8173 -28.8173 -28.8173 -28.8173 -11.7485 -11.7485 -11.7189 -11.7189 -10.6926 -10.6926 -10.6759 -10.6759 -10.5201 -10.5201 -10.4995 -10.4995 2.7767 2.7767 2.8202 2.8202 3.1313 3.1313 3.1539 3.1539 7.8898 7.8898 7.8910 7.8910 10.4462 10.4462 10.4468 10.4468 k =-0.4278 0.4006 0.3262 ( 3192 PWs) bands (ev): -28.8180 -28.8180 -28.8180 -28.8180 -11.7447 -11.7447 -11.7169 -11.7169 -10.6894 -10.6894 -10.6744 -10.6744 -10.5146 -10.5146 -10.4944 -10.4944 2.7250 2.7250 2.7641 2.7641 3.1207 3.1207 3.1401 3.1401 7.9589 7.9589 7.9601 7.9601 10.4737 10.4737 10.4751 10.4751 k =-0.4339 0.3892 0.3262 ( 3200 PWs) bands (ev): -28.8186 -28.8186 -28.8186 -28.8186 -11.7412 -11.7412 -11.7152 -11.7152 -10.6867 -10.6867 -10.6734 -10.6734 -10.5089 -10.5089 -10.4893 -10.4893 2.6757 2.6757 2.7106 2.7106 3.1112 3.1112 3.1280 3.1280 8.0272 8.0272 8.0284 8.0284 10.5019 10.5019 10.5040 10.5040 k =-0.4399 0.3778 0.3262 ( 3196 PWs) bands (ev): -28.8192 -28.8192 -28.8192 -28.8192 -11.7378 -11.7378 -11.7137 -11.7137 -10.6844 -10.6844 -10.6726 -10.6726 -10.5030 -10.5030 -10.4842 -10.4842 2.6294 2.6294 2.6604 2.6604 3.1027 3.1027 3.1172 3.1172 8.0941 8.0941 8.0952 8.0952 10.5301 10.5301 10.5330 10.5330 k =-0.4459 0.3664 0.3262 ( 3188 PWs) bands (ev): -28.8197 -28.8197 -28.8197 -28.8197 -11.7346 -11.7346 -11.7126 -11.7126 -10.6824 -10.6824 -10.6721 -10.6721 -10.4971 -10.4971 -10.4795 -10.4795 2.5864 2.5864 2.6139 2.6139 3.0952 3.0952 3.1076 3.1076 8.1589 8.1589 8.1598 8.1598 10.5579 10.5579 10.5616 10.5616 k =-0.4519 0.3550 0.3262 ( 3192 PWs) bands (ev): -28.8202 -28.8202 -28.8202 -28.8202 -11.7316 -11.7316 -11.7118 -11.7118 -10.6807 -10.6807 -10.6718 -10.6718 -10.4913 -10.4913 -10.4750 -10.4750 2.5472 2.5472 2.5713 2.5713 3.0886 3.0886 3.0992 3.0992 8.2206 8.2206 8.2215 8.2215 10.5846 10.5846 10.5893 10.5893 k =-0.4579 0.3436 0.3262 ( 3188 PWs) bands (ev): -28.8206 -28.8206 -28.8206 -28.8206 -11.7288 -11.7288 -11.7112 -11.7112 -10.6794 -10.6794 -10.6717 -10.6717 -10.4857 -10.4857 -10.4710 -10.4710 2.5121 2.5121 2.5329 2.5329 3.0828 3.0828 3.0917 3.0917 8.2785 8.2785 8.2793 8.2793 10.6096 10.6096 10.6155 10.6155 k =-0.4639 0.3322 0.3262 ( 3192 PWs) bands (ev): -28.8210 -28.8210 -28.8210 -28.8210 -11.7261 -11.7261 -11.7110 -11.7110 -10.6782 -10.6782 -10.6718 -10.6718 -10.4804 -10.4804 -10.4675 -10.4675 2.4813 2.4813 2.4990 2.4990 3.0779 3.0779 3.0853 3.0853 8.3317 8.3317 8.3323 8.3323 10.6321 10.6321 10.6394 10.6394 k =-0.4699 0.3208 0.3262 ( 3200 PWs) bands (ev): -28.8214 -28.8214 -28.8214 -28.8214 -11.7237 -11.7237 -11.7109 -11.7109 -10.6772 -10.6772 -10.6720 -10.6720 -10.4756 -10.4756 -10.4646 -10.4646 2.4552 2.4552 2.4698 2.4698 3.0737 3.0737 3.0798 3.0798 8.3791 8.3791 8.3796 8.3796 10.6511 10.6511 10.6602 10.6602 k =-0.4759 0.3094 0.3262 ( 3196 PWs) bands (ev): -28.8216 -28.8216 -28.8216 -28.8216 -11.7214 -11.7214 -11.7112 -11.7112 -10.6764 -10.6764 -10.6722 -10.6722 -10.4713 -10.4713 -10.4624 -10.4624 2.4338 2.4338 2.4454 2.4454 3.0705 3.0705 3.0752 3.0752 8.4197 8.4197 8.4201 8.4201 10.6651 10.6651 10.6768 10.6768 k =-0.4820 0.2980 0.3262 ( 3192 PWs) bands (ev): -28.8218 -28.8218 -28.8218 -28.8218 -11.7194 -11.7194 -11.7117 -11.7117 -10.6756 -10.6756 -10.6726 -10.6726 -10.4677 -10.4677 -10.4609 -10.4609 2.4173 2.4173 2.4260 2.4260 3.0680 3.0680 3.0715 3.0715 8.4525 8.4525 8.4528 8.4528 10.6724 10.6724 10.6859 10.6859 k =-0.4880 0.2866 0.3262 ( 3192 PWs) bands (ev): -28.8220 -28.8220 -28.8220 -28.8220 -11.7176 -11.7176 -11.7124 -11.7124 -10.6750 -10.6750 -10.6729 -10.6729 -10.4647 -10.4647 -10.4601 -10.4601 2.4059 2.4059 2.4117 2.4117 3.0665 3.0665 3.0688 3.0688 8.4767 8.4767 8.4769 8.4769 10.6725 10.6725 10.6835 10.6835 k =-0.4940 0.2753 0.3262 ( 3192 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -11.7159 -11.7159 -11.7133 -11.7133 -10.6744 -10.6744 -10.6734 -10.6734 -10.4624 -10.4624 -10.4601 -10.4601 2.3996 2.3996 2.4025 2.4025 3.0657 3.0657 3.0669 3.0669 8.4916 8.4916 8.4917 8.4917 10.6700 10.6700 10.6753 10.6753 k =-0.5000 0.2639 0.3262 ( 3188 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -11.7145 -11.7145 -11.7145 -11.7145 -10.6739 -10.6739 -10.6739 -10.6739 -10.4608 -10.4608 -10.4608 -10.4608 2.3985 2.3985 2.3985 2.3985 3.0659 3.0659 3.0659 3.0659 8.4966 8.4966 8.4966 8.4966 10.6701 10.6701 10.6701 10.6701 k =-0.5000 0.2639 0.3262 ( 3188 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -11.7145 -11.7145 -11.7145 -11.7145 -10.6739 -10.6739 -10.6739 -10.6739 -10.4608 -10.4608 -10.4608 -10.4608 2.3985 2.3985 2.3985 2.3985 3.0659 3.0659 3.0659 3.0659 8.4966 8.4966 8.4966 8.4966 10.6701 10.6701 10.6701 10.6701 k =-0.5000 0.2639 0.3131 ( 3192 PWs) bands (ev): -28.8239 -28.8239 -28.8204 -28.8204 -11.7197 -11.7197 -11.7095 -11.7095 -10.6796 -10.6796 -10.6682 -10.6682 -10.4656 -10.4656 -10.4558 -10.4558 2.3911 2.3911 2.4046 2.4046 3.0625 3.0625 3.0692 3.0692 8.4570 8.4570 8.5421 8.5421 10.5899 10.5899 10.6442 10.6442 k =-0.5000 0.2639 0.3001 ( 3186 PWs) bands (ev): -28.8256 -28.8256 -28.8186 -28.8186 -11.7250 -11.7250 -11.7045 -11.7045 -10.6854 -10.6854 -10.6627 -10.6627 -10.4700 -10.4700 -10.4505 -10.4505 2.3827 2.3827 2.4095 2.4095 3.0591 3.0591 3.0725 3.0725 8.4233 8.4233 8.5934 8.5934 10.5022 10.5022 10.5819 10.5819 k =-0.5000 0.2639 0.2870 ( 3184 PWs) bands (ev): -28.8273 -28.8273 -28.8169 -28.8169 -11.7304 -11.7304 -11.6998 -11.6998 -10.6912 -10.6912 -10.6573 -10.6573 -10.4742 -10.4742 -10.4449 -10.4449 2.3730 2.3730 2.4132 2.4132 3.0557 3.0557 3.0758 3.0758 8.3954 8.3954 8.6505 8.6505 10.4166 10.4166 10.5198 10.5198 k =-0.5000 0.2639 0.2740 ( 3188 PWs) bands (ev): -28.8290 -28.8290 -28.8152 -28.8152 -11.7359 -11.7359 -11.6952 -11.6952 -10.6970 -10.6970 -10.6520 -10.6520 -10.4780 -10.4780 -10.4391 -10.4391 2.3624 2.3624 2.4158 2.4158 3.0523 3.0523 3.0790 3.0790 8.3730 8.3730 8.7132 8.7132 10.3339 10.3339 10.4597 10.4597 k =-0.5000 0.2639 0.2609 ( 3196 PWs) bands (ev): -28.8307 -28.8307 -28.8135 -28.8135 -11.7414 -11.7414 -11.6908 -11.6908 -10.7028 -10.7028 -10.6470 -10.6470 -10.4815 -10.4815 -10.4331 -10.4331 2.3507 2.3507 2.4173 2.4173 3.0489 3.0489 3.0821 3.0821 8.3561 8.3561 8.7813 8.7813 10.2543 10.2543 10.4023 10.4023 k =-0.5000 0.2639 0.2479 ( 3192 PWs) bands (ev): -28.8323 -28.8323 -28.8119 -28.8119 -11.7468 -11.7468 -11.6866 -11.6866 -10.7086 -10.7086 -10.6421 -10.6421 -10.4847 -10.4847 -10.4269 -10.4269 2.3382 2.3382 2.4177 2.4177 3.0455 3.0455 3.0852 3.0852 8.3444 8.3444 8.8545 8.8545 10.1781 10.1781 10.3479 10.3479 k =-0.5000 0.2639 0.2348 ( 3194 PWs) bands (ev): -28.8339 -28.8339 -28.8103 -28.8103 -11.7523 -11.7523 -11.6826 -11.6826 -10.7142 -10.7142 -10.6375 -10.6375 -10.4877 -10.4877 -10.4206 -10.4206 2.3249 2.3249 2.4172 2.4172 3.0422 3.0422 3.0881 3.0881 8.3374 8.3374 8.9324 8.9324 10.1053 10.1053 10.2969 10.2969 k =-0.5000 0.2639 0.2218 ( 3194 PWs) bands (ev): -28.8355 -28.8355 -28.8087 -28.8087 -11.7576 -11.7576 -11.6788 -11.6788 -10.7197 -10.7197 -10.6330 -10.6330 -10.4903 -10.4903 -10.4143 -10.4143 2.3111 2.3111 2.4159 2.4159 3.0389 3.0389 3.0910 3.0910 8.3349 8.3349 9.0148 9.0148 10.0360 10.0360 10.2496 10.2496 k =-0.5000 0.2639 0.2087 ( 3198 PWs) bands (ev): -28.8370 -28.8370 -28.8072 -28.8072 -11.7629 -11.7629 -11.6753 -11.6753 -10.7251 -10.7251 -10.6288 -10.6288 -10.4927 -10.4927 -10.4079 -10.4079 2.2968 2.2968 2.4138 2.4138 3.0357 3.0357 3.0939 3.0939 8.3364 8.3364 9.1011 9.1011 9.9702 9.9702 10.2063 10.2063 k =-0.5000 0.2639 0.1957 ( 3206 PWs) bands (ev): -28.8384 -28.8384 -28.8058 -28.8058 -11.7681 -11.7681 -11.6720 -11.6720 -10.7303 -10.7303 -10.6248 -10.6248 -10.4949 -10.4949 -10.4016 -10.4016 2.2822 2.2822 2.4110 2.4110 3.0326 3.0326 3.0966 3.0966 8.3415 8.3415 9.1908 9.1908 9.9082 9.9082 10.1672 10.1672 k =-0.5000 0.2639 0.1826 ( 3212 PWs) bands (ev): -28.8398 -28.8398 -28.8044 -28.8044 -11.7731 -11.7731 -11.6689 -11.6689 -10.7352 -10.7352 -10.6211 -10.6211 -10.4968 -10.4968 -10.3953 -10.3953 2.2675 2.2675 2.4077 2.4077 3.0295 3.0295 3.0992 3.0992 8.3495 8.3495 9.2831 9.2831 9.8498 9.8498 10.1326 10.1326 k =-0.5000 0.2639 0.1696 ( 3212 PWs) bands (ev): -28.8411 -28.8411 -28.8031 -28.8031 -11.7779 -11.7779 -11.6661 -11.6661 -10.7400 -10.7400 -10.6175 -10.6175 -10.4985 -10.4985 -10.3892 -10.3892 2.2528 2.2528 2.4041 2.4041 3.0267 3.0267 3.1017 3.1017 8.3600 8.3600 9.3775 9.3775 9.7953 9.7953 10.1027 10.1027 k =-0.5000 0.2639 0.1566 ( 3220 PWs) bands (ev): -28.8423 -28.8423 -28.8018 -28.8018 -11.7825 -11.7825 -11.6635 -11.6635 -10.7444 -10.7444 -10.6143 -10.6143 -10.5000 -10.5000 -10.3833 -10.3833 2.2384 2.2384 2.4001 2.4001 3.0239 3.0239 3.1041 3.1041 8.3723 8.3723 9.4728 9.4728 9.7445 9.7445 10.0778 10.0778 k =-0.5000 0.2639 0.1435 ( 3214 PWs) bands (ev): -28.8435 -28.8435 -28.8007 -28.8007 -11.7868 -11.7868 -11.6611 -11.6611 -10.7486 -10.7486 -10.6112 -10.6112 -10.5013 -10.5013 -10.3776 -10.3776 2.2244 2.2244 2.3960 2.3960 3.0213 3.0213 3.1063 3.1063 8.3859 8.3859 9.5681 9.5681 9.6977 9.6977 10.0580 10.0580 k =-0.5000 0.2639 0.1305 ( 3206 PWs) bands (ev): -28.8445 -28.8445 -28.7996 -28.7996 -11.7909 -11.7909 -11.6589 -11.6589 -10.7525 -10.7525 -10.6085 -10.6085 -10.5024 -10.5024 -10.3723 -10.3723 2.2110 2.2110 2.3919 2.3919 3.0189 3.0189 3.1084 3.1084 8.4003 8.4003 9.6547 9.6547 9.6619 9.6619 10.0438 10.0438 k =-0.5000 0.2639 0.1174 ( 3200 PWs) bands (ev): -28.8455 -28.8455 -28.7986 -28.7986 -11.7947 -11.7947 -11.6570 -11.6570 -10.7560 -10.7560 -10.6059 -10.6059 -10.5034 -10.5034 -10.3673 -10.3673 2.1983 2.1983 2.3878 2.3878 3.0167 3.0167 3.1104 3.1104 8.4147 8.4147 9.6158 9.6158 9.7521 9.7521 10.0358 10.0358 k =-0.5000 0.2639 0.1044 ( 3204 PWs) bands (ev): -28.8464 -28.8464 -28.7977 -28.7977 -11.7981 -11.7981 -11.6552 -11.6552 -10.7593 -10.7593 -10.6037 -10.6037 -10.5043 -10.5043 -10.3626 -10.3626 2.1864 2.1864 2.3838 2.3838 3.0147 3.0147 3.1121 3.1121 8.4289 8.4289 9.5808 9.5808 9.8352 9.8352 10.0359 10.0359 k =-0.5000 0.2639 0.0913 ( 3196 PWs) bands (ev): -28.8472 -28.8472 -28.7969 -28.7969 -11.8012 -11.8012 -11.6537 -11.6537 -10.7621 -10.7621 -10.6017 -10.6017 -10.5050 -10.5050 -10.3584 -10.3584 2.1757 2.1757 2.3801 2.3801 3.0129 3.0129 3.1137 3.1137 8.4422 8.4422 9.5499 9.5499 9.9042 9.9042 10.0490 10.0490 k =-0.5000 0.2639 0.0783 ( 3190 PWs) bands (ev): -28.8478 -28.8478 -28.7962 -28.7962 -11.8040 -11.8040 -11.6524 -11.6524 -10.7647 -10.7647 -10.5999 -10.5999 -10.5056 -10.5056 -10.3547 -10.3547 2.1661 2.1661 2.3767 2.3767 3.0113 3.0113 3.1151 3.1151 8.4544 8.4544 9.5230 9.5230 9.9489 9.9489 10.0833 10.0833 k =-0.5000 0.2639 0.0652 ( 3178 PWs) bands (ev): -28.8484 -28.8484 -28.7956 -28.7956 -11.8063 -11.8063 -11.6513 -11.6513 -10.7668 -10.7668 -10.5984 -10.5984 -10.5061 -10.5061 -10.3515 -10.3515 2.1578 2.1578 2.3737 2.3737 3.0100 3.0100 3.1163 3.1163 8.4651 8.4651 9.5003 9.5003 9.9711 9.9711 10.1345 10.1345 k =-0.5000 0.2639 0.0522 ( 3178 PWs) bands (ev): -28.8489 -28.8489 -28.7951 -28.7951 -11.8082 -11.8082 -11.6504 -11.6504 -10.7686 -10.7686 -10.5972 -10.5972 -10.5065 -10.5065 -10.3489 -10.3489 2.1508 2.1508 2.3712 2.3712 3.0089 3.0089 3.1173 3.1173 8.4742 8.4742 9.4816 9.4816 9.9826 9.9826 10.1878 10.1878 k =-0.5000 0.2639 0.0391 ( 3174 PWs) bands (ev): -28.8493 -28.8493 -28.7947 -28.7947 -11.8097 -11.8097 -11.6497 -11.6497 -10.7699 -10.7699 -10.5963 -10.5963 -10.5068 -10.5068 -10.3468 -10.3468 2.1453 2.1453 2.3692 2.3692 3.0080 3.0080 3.1181 3.1181 8.4813 8.4813 9.4671 9.4671 9.9900 9.9900 10.2344 10.2344 k =-0.5000 0.2639 0.0261 ( 3182 PWs) bands (ev): -28.8496 -28.8496 -28.7944 -28.7944 -11.8108 -11.8108 -11.6493 -11.6493 -10.7709 -10.7709 -10.5956 -10.5956 -10.5070 -10.5070 -10.3453 -10.3453 2.1413 2.1413 2.3677 2.3677 3.0074 3.0074 3.1186 3.1186 8.4865 8.4865 9.4567 9.4567 9.9951 9.9951 10.2699 10.2699 k =-0.5000 0.2639 0.0130 ( 3188 PWs) bands (ev): -28.8497 -28.8497 -28.7943 -28.7943 -11.8115 -11.8115 -11.6490 -11.6490 -10.7715 -10.7715 -10.5952 -10.5952 -10.5071 -10.5071 -10.3444 -10.3444 2.1389 2.1389 2.3668 2.3668 3.0070 3.0070 3.1189 3.1189 8.4896 8.4896 9.4505 9.4505 9.9982 9.9982 10.2920 10.2920 k =-0.5000 0.2639 0.0000 ( 3190 PWs) bands (ev): -28.8498 -28.8498 -28.7942 -28.7942 -11.8117 -11.8117 -11.6489 -11.6489 -10.7717 -10.7717 -10.5950 -10.5950 -10.5071 -10.5071 -10.3441 -10.3441 2.1381 2.1381 2.3665 2.3665 3.0069 3.0069 3.1190 3.1190 8.4906 8.4906 9.4484 9.4484 9.9992 9.9992 10.2995 10.2995 k = 0.0000 0.0000 0.3262 ( 3194 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6546 -11.6546 -11.6546 -11.6546 -10.5871 -10.5871 -10.5871 -10.5871 -10.3633 -10.3633 -10.3633 -10.3633 1.2053 1.2053 1.2053 1.2053 4.1925 4.1925 4.1925 4.1925 9.0030 9.0030 9.0030 9.0030 10.1645 10.1645 10.1645 10.1645 k =-0.0116 0.0061 0.3262 ( 3194 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6547 -11.6547 -11.6547 -11.6547 -10.5872 -10.5872 -10.5872 -10.5872 -10.3635 -10.3635 -10.3635 -10.3635 1.2066 1.2066 1.2066 1.2066 4.1910 4.1910 4.1910 4.1910 9.0021 9.0021 9.0021 9.0021 10.1678 10.1678 10.1678 10.1678 k =-0.0233 0.0123 0.3262 ( 3192 PWs) bands (ev): -28.8373 -28.8373 -28.8373 -28.8373 -11.6549 -11.6549 -11.6549 -11.6549 -10.5874 -10.5874 -10.5874 -10.5874 -10.3640 -10.3640 -10.3640 -10.3640 1.2104 1.2104 1.2104 1.2104 4.1865 4.1865 4.1865 4.1865 8.9994 8.9994 8.9994 8.9994 10.1776 10.1776 10.1776 10.1776 k =-0.0349 0.0184 0.3262 ( 3198 PWs) bands (ev): -28.8372 -28.8372 -28.8372 -28.8372 -11.6552 -11.6552 -11.6552 -11.6552 -10.5879 -10.5879 -10.5879 -10.5879 -10.3649 -10.3649 -10.3649 -10.3649 1.2167 1.2167 1.2167 1.2167 4.1791 4.1791 4.1791 4.1791 8.9950 8.9950 8.9950 8.9950 10.1935 10.1935 10.1935 10.1935 k =-0.0465 0.0245 0.3262 ( 3202 PWs) bands (ev): -28.8370 -28.8370 -28.8370 -28.8370 -11.6557 -11.6557 -11.6557 -11.6557 -10.5885 -10.5885 -10.5885 -10.5885 -10.3661 -10.3661 -10.3661 -10.3661 1.2256 1.2256 1.2256 1.2256 4.1688 4.1688 4.1688 4.1688 8.9894 8.9894 8.9894 8.9894 10.2149 10.2149 10.2149 10.2149 k =-0.0581 0.0307 0.3262 ( 3202 PWs) bands (ev): -28.8368 -28.8368 -28.8368 -28.8368 -11.6563 -11.6563 -11.6563 -11.6563 -10.5894 -10.5894 -10.5894 -10.5894 -10.3677 -10.3677 -10.3677 -10.3677 1.2369 1.2369 1.2369 1.2369 4.1557 4.1557 4.1557 4.1557 8.9828 8.9828 8.9828 8.9828 10.2409 10.2409 10.2409 10.2409 k =-0.0698 0.0368 0.3262 ( 3206 PWs) bands (ev): -28.8366 -28.8366 -28.8366 -28.8366 -11.6570 -11.6570 -11.6570 -11.6570 -10.5904 -10.5904 -10.5904 -10.5904 -10.3696 -10.3696 -10.3696 -10.3696 1.2506 1.2506 1.2506 1.2506 4.1399 4.1399 4.1399 4.1399 8.9755 8.9755 8.9755 8.9755 10.2703 10.2703 10.2703 10.2703 k =-0.0814 0.0430 0.3262 ( 3218 PWs) bands (ev): -28.8364 -28.8364 -28.8364 -28.8364 -11.6579 -11.6579 -11.6579 -11.6579 -10.5916 -10.5916 -10.5916 -10.5916 -10.3717 -10.3717 -10.3717 -10.3717 1.2668 1.2668 1.2668 1.2668 4.1215 4.1215 4.1215 4.1215 8.9679 8.9679 8.9679 8.9679 10.3014 10.3014 10.3014 10.3014 k =-0.0930 0.0491 0.3262 ( 3234 PWs) bands (ev): -28.8361 -28.8361 -28.8361 -28.8361 -11.6589 -11.6589 -11.6589 -11.6589 -10.5929 -10.5929 -10.5929 -10.5929 -10.3742 -10.3742 -10.3742 -10.3742 1.2852 1.2852 1.2852 1.2852 4.1006 4.1006 4.1006 4.1006 8.9603 8.9603 8.9603 8.9603 10.3321 10.3321 10.3321 10.3321 k =-0.1047 0.0552 0.3262 ( 3228 PWs) bands (ev): -28.8358 -28.8358 -28.8358 -28.8358 -11.6600 -11.6600 -11.6600 -11.6600 -10.5945 -10.5945 -10.5945 -10.5945 -10.3769 -10.3769 -10.3769 -10.3769 1.3059 1.3059 1.3059 1.3059 4.0774 4.0774 4.0774 4.0774 8.9530 8.9530 8.9530 8.9530 10.3606 10.3606 10.3606 10.3606 k =-0.1163 0.0614 0.3262 ( 3222 PWs) bands (ev): -28.8354 -28.8354 -28.8354 -28.8354 -11.6612 -11.6612 -11.6612 -11.6612 -10.5962 -10.5962 -10.5962 -10.5962 -10.3798 -10.3798 -10.3798 -10.3798 1.3288 1.3288 1.3288 1.3288 4.0522 4.0522 4.0522 4.0522 8.9461 8.9461 8.9461 8.9461 10.3874 10.3874 10.3874 10.3874 k =-0.1279 0.0675 0.3262 ( 3218 PWs) bands (ev): -28.8350 -28.8350 -28.8350 -28.8350 -11.6626 -11.6626 -11.6626 -11.6626 -10.5980 -10.5980 -10.5980 -10.5980 -10.3829 -10.3829 -10.3829 -10.3829 1.3537 1.3537 1.3537 1.3537 4.0249 4.0249 4.0249 4.0249 8.9399 8.9399 8.9399 8.9399 10.4135 10.4135 10.4135 10.4135 k =-0.1395 0.0736 0.3262 ( 3222 PWs) bands (ev): -28.8346 -28.8346 -28.8346 -28.8346 -11.6641 -11.6641 -11.6641 -11.6641 -10.6001 -10.6001 -10.6001 -10.6001 -10.3862 -10.3862 -10.3862 -10.3862 1.3807 1.3807 1.3807 1.3807 3.9958 3.9958 3.9958 3.9958 8.9344 8.9344 8.9344 8.9344 10.4386 10.4386 10.4386 10.4386 k =-0.1512 0.0798 0.3262 ( 3222 PWs) bands (ev): -28.8342 -28.8342 -28.8342 -28.8342 -11.6656 -11.6656 -11.6656 -11.6656 -10.6023 -10.6023 -10.6023 -10.6023 -10.3897 -10.3897 -10.3897 -10.3897 1.4095 1.4095 1.4095 1.4095 3.9652 3.9652 3.9652 3.9652 8.9295 8.9295 8.9295 8.9295 10.4601 10.4601 10.4601 10.4601 k =-0.1628 0.0859 0.3262 ( 3226 PWs) bands (ev): -28.8337 -28.8337 -28.8337 -28.8337 -11.6673 -11.6673 -11.6673 -11.6673 -10.6046 -10.6046 -10.6046 -10.6046 -10.3933 -10.3933 -10.3933 -10.3933 1.4402 1.4402 1.4402 1.4402 3.9330 3.9330 3.9330 3.9330 8.9252 8.9252 8.9252 8.9252 10.4736 10.4736 10.4736 10.4736 k =-0.1744 0.0920 0.3262 ( 3226 PWs) bands (ev): -28.8332 -28.8332 -28.8332 -28.8332 -11.6691 -11.6691 -11.6691 -11.6691 -10.6071 -10.6071 -10.6071 -10.6071 -10.3969 -10.3969 -10.3969 -10.3969 1.4725 1.4725 1.4725 1.4725 3.8997 3.8997 3.8997 3.8997 8.9214 8.9214 8.9214 8.9214 10.4763 10.4763 10.4763 10.4763 k =-0.1860 0.0982 0.3262 ( 3230 PWs) bands (ev): -28.8327 -28.8327 -28.8327 -28.8327 -11.6709 -11.6709 -11.6709 -11.6709 -10.6098 -10.6098 -10.6098 -10.6098 -10.4006 -10.4006 -10.4006 -10.4006 1.5063 1.5063 1.5063 1.5063 3.8652 3.8652 3.8652 3.8652 8.9177 8.9177 8.9177 8.9177 10.4691 10.4691 10.4691 10.4691 k =-0.1977 0.1043 0.3262 ( 3230 PWs) bands (ev): -28.8322 -28.8322 -28.8322 -28.8322 -11.6729 -11.6729 -11.6729 -11.6729 -10.6125 -10.6125 -10.6125 -10.6125 -10.4044 -10.4044 -10.4044 -10.4044 1.5416 1.5416 1.5416 1.5416 3.8298 3.8298 3.8298 3.8298 8.9141 8.9141 8.9141 8.9141 10.4541 10.4541 10.4541 10.4541 k =-0.2093 0.1105 0.3262 ( 3234 PWs) bands (ev): -28.8317 -28.8317 -28.8317 -28.8317 -11.6749 -11.6749 -11.6749 -11.6749 -10.6154 -10.6154 -10.6154 -10.6154 -10.4081 -10.4081 -10.4081 -10.4081 1.5782 1.5782 1.5782 1.5782 3.7936 3.7936 3.7936 3.7936 8.9101 8.9101 8.9101 8.9101 10.4333 10.4333 10.4333 10.4333 k =-0.2209 0.1166 0.3262 ( 3234 PWs) bands (ev): -28.8311 -28.8311 -28.8311 -28.8311 -11.6769 -11.6769 -11.6769 -11.6769 -10.6184 -10.6184 -10.6184 -10.6184 -10.4118 -10.4118 -10.4118 -10.4118 1.6159 1.6159 1.6159 1.6159 3.7569 3.7569 3.7569 3.7569 8.9053 8.9053 8.9053 8.9053 10.4090 10.4090 10.4090 10.4090 k =-0.2326 0.1227 0.3262 ( 3234 PWs) bands (ev): -28.8306 -28.8306 -28.8306 -28.8306 -11.6790 -11.6790 -11.6790 -11.6790 -10.6215 -10.6215 -10.6215 -10.6215 -10.4155 -10.4155 -10.4155 -10.4155 1.6546 1.6546 1.6546 1.6546 3.7197 3.7197 3.7197 3.7197 8.8994 8.8994 8.8994 8.8994 10.3834 10.3834 10.3834 10.3834 k =-0.2442 0.1289 0.3262 ( 3226 PWs) bands (ev): -28.8300 -28.8300 -28.8300 -28.8300 -11.6812 -11.6812 -11.6812 -11.6812 -10.6246 -10.6246 -10.6246 -10.6246 -10.4191 -10.4191 -10.4191 -10.4191 1.6943 1.6943 1.6943 1.6943 3.6823 3.6823 3.6823 3.6823 8.8920 8.8920 8.8920 8.8920 10.3585 10.3585 10.3585 10.3585 k =-0.2558 0.1350 0.3262 ( 3222 PWs) bands (ev): -28.8295 -28.8295 -28.8295 -28.8295 -11.6834 -11.6834 -11.6834 -11.6834 -10.6278 -10.6278 -10.6278 -10.6278 -10.4226 -10.4226 -10.4226 -10.4226 1.7346 1.7346 1.7346 1.7346 3.6447 3.6447 3.6447 3.6447 8.8826 8.8826 8.8826 8.8826 10.3361 10.3361 10.3361 10.3361 k =-0.2674 0.1411 0.3262 ( 3226 PWs) bands (ev): -28.8289 -28.8289 -28.8289 -28.8289 -11.6856 -11.6856 -11.6856 -11.6856 -10.6311 -10.6311 -10.6311 -10.6311 -10.4261 -10.4261 -10.4261 -10.4261 1.7755 1.7755 1.7755 1.7755 3.6070 3.6070 3.6070 3.6070 8.8709 8.8709 8.8709 8.8709 10.3174 10.3174 10.3174 10.3174 k =-0.2791 0.1473 0.3262 ( 3222 PWs) bands (ev): -28.8284 -28.8284 -28.8284 -28.8284 -11.6878 -11.6878 -11.6878 -11.6878 -10.6343 -10.6343 -10.6343 -10.6343 -10.4294 -10.4294 -10.4294 -10.4294 1.8169 1.8169 1.8169 1.8169 3.5694 3.5694 3.5694 3.5694 8.8568 8.8568 8.8568 8.8568 10.3036 10.3036 10.3036 10.3036 k =-0.2907 0.1534 0.3262 ( 3218 PWs) bands (ev): -28.8278 -28.8278 -28.8278 -28.8278 -11.6900 -11.6900 -11.6900 -11.6900 -10.6376 -10.6376 -10.6376 -10.6376 -10.4325 -10.4325 -10.4325 -10.4325 1.8585 1.8585 1.8585 1.8585 3.5321 3.5321 3.5321 3.5321 8.8402 8.8402 8.8402 8.8402 10.2956 10.2956 10.2956 10.2956 k =-0.3023 0.1595 0.3262 ( 3218 PWs) bands (ev): -28.8273 -28.8273 -28.8273 -28.8273 -11.6922 -11.6922 -11.6922 -11.6922 -10.6408 -10.6408 -10.6408 -10.6408 -10.4356 -10.4356 -10.4356 -10.4356 1.9001 1.9001 1.9001 1.9001 3.4951 3.4951 3.4951 3.4951 8.8209 8.8209 8.8209 8.8209 10.2937 10.2937 10.2937 10.2937 k =-0.3140 0.1657 0.3262 ( 3222 PWs) bands (ev): -28.8268 -28.8268 -28.8268 -28.8268 -11.6943 -11.6943 -11.6943 -11.6943 -10.6440 -10.6440 -10.6440 -10.6440 -10.4384 -10.4384 -10.4384 -10.4384 1.9417 1.9417 1.9417 1.9417 3.4584 3.4584 3.4584 3.4584 8.7994 8.7994 8.7994 8.7994 10.2981 10.2981 10.2981 10.2981 k =-0.3256 0.1718 0.3262 ( 3222 PWs) bands (ev): -28.8263 -28.8263 -28.8263 -28.8263 -11.6965 -11.6965 -11.6965 -11.6965 -10.6472 -10.6472 -10.6472 -10.6472 -10.4411 -10.4411 -10.4411 -10.4411 1.9830 1.9830 1.9830 1.9830 3.4224 3.4224 3.4224 3.4224 8.7759 8.7759 8.7759 8.7759 10.3088 10.3088 10.3088 10.3088 k =-0.3372 0.1779 0.3262 ( 3214 PWs) bands (ev): -28.8258 -28.8258 -28.8258 -28.8258 -11.6985 -11.6985 -11.6985 -11.6985 -10.6502 -10.6502 -10.6502 -10.6502 -10.4437 -10.4437 -10.4437 -10.4437 2.0240 2.0240 2.0240 2.0240 3.3869 3.3869 3.3869 3.3869 8.7507 8.7507 8.7507 8.7507 10.3254 10.3254 10.3254 10.3254 k =-0.3488 0.1841 0.3262 ( 3224 PWs) bands (ev): -28.8253 -28.8253 -28.8253 -28.8253 -11.7005 -11.7005 -11.7005 -11.7005 -10.6531 -10.6531 -10.6531 -10.6531 -10.4460 -10.4460 -10.4460 -10.4460 2.0642 2.0642 2.0642 2.0642 3.3522 3.3522 3.3522 3.3522 8.7245 8.7245 8.7245 8.7245 10.3475 10.3475 10.3475 10.3475 k =-0.3605 0.1902 0.3262 ( 3222 PWs) bands (ev): -28.8249 -28.8249 -28.8249 -28.8249 -11.7024 -11.7024 -11.7024 -11.7024 -10.6559 -10.6559 -10.6559 -10.6559 -10.4482 -10.4482 -10.4482 -10.4482 2.1037 2.1037 2.1037 2.1037 3.3184 3.3184 3.3184 3.3184 8.6978 8.6978 8.6978 8.6978 10.3744 10.3744 10.3744 10.3744 k =-0.3721 0.1964 0.3262 ( 3218 PWs) bands (ev): -28.8245 -28.8245 -28.8245 -28.8245 -11.7042 -11.7042 -11.7042 -11.7042 -10.6586 -10.6586 -10.6586 -10.6586 -10.4503 -10.4503 -10.4503 -10.4503 2.1420 2.1420 2.1420 2.1420 3.2856 3.2856 3.2856 3.2856 8.6710 8.6710 8.6710 8.6710 10.4054 10.4054 10.4054 10.4054 k =-0.3837 0.2025 0.3262 ( 3218 PWs) bands (ev): -28.8241 -28.8241 -28.8241 -28.8241 -11.7059 -11.7059 -11.7059 -11.7059 -10.6611 -10.6611 -10.6611 -10.6611 -10.4521 -10.4521 -10.4521 -10.4521 2.1791 2.1791 2.1791 2.1791 3.2540 3.2540 3.2540 3.2540 8.6448 8.6448 8.6448 8.6448 10.4395 10.4395 10.4395 10.4395 k =-0.3953 0.2086 0.3262 ( 3214 PWs) bands (ev): -28.8237 -28.8237 -28.8237 -28.8237 -11.7074 -11.7074 -11.7074 -11.7074 -10.6634 -10.6634 -10.6634 -10.6634 -10.4538 -10.4538 -10.4538 -10.4538 2.2147 2.2147 2.2147 2.2147 3.2237 3.2237 3.2237 3.2237 8.6196 8.6196 8.6196 8.6196 10.4757 10.4757 10.4757 10.4757 k =-0.4070 0.2148 0.3262 ( 3208 PWs) bands (ev): -28.8234 -28.8234 -28.8234 -28.8234 -11.7089 -11.7089 -11.7089 -11.7089 -10.6655 -10.6655 -10.6655 -10.6655 -10.4553 -10.4553 -10.4553 -10.4553 2.2483 2.2483 2.2483 2.2483 3.1950 3.1950 3.1950 3.1950 8.5958 8.5958 8.5958 8.5958 10.5130 10.5130 10.5130 10.5130 k =-0.4186 0.2209 0.3262 ( 3208 PWs) bands (ev): -28.8231 -28.8231 -28.8231 -28.8231 -11.7102 -11.7102 -11.7102 -11.7102 -10.6674 -10.6674 -10.6674 -10.6674 -10.4566 -10.4566 -10.4566 -10.4566 2.2797 2.2797 2.2797 2.2797 3.1682 3.1682 3.1682 3.1682 8.5740 8.5740 8.5740 8.5740 10.5499 10.5499 10.5499 10.5499 k =-0.4302 0.2270 0.3262 ( 3200 PWs) bands (ev): -28.8228 -28.8228 -28.8228 -28.8228 -11.7113 -11.7113 -11.7113 -11.7113 -10.6691 -10.6691 -10.6691 -10.6691 -10.4577 -10.4577 -10.4577 -10.4577 2.3085 2.3085 2.3085 2.3085 3.1436 3.1436 3.1436 3.1436 8.5543 8.5543 8.5543 8.5543 10.5851 10.5851 10.5851 10.5851 k =-0.4419 0.2332 0.3262 ( 3194 PWs) bands (ev): -28.8226 -28.8226 -28.8226 -28.8226 -11.7123 -11.7123 -11.7123 -11.7123 -10.6705 -10.6705 -10.6705 -10.6705 -10.4587 -10.4587 -10.4587 -10.4587 2.3342 2.3342 2.3342 2.3342 3.1215 3.1215 3.1215 3.1215 8.5372 8.5372 8.5372 8.5372 10.6166 10.6166 10.6166 10.6166 k =-0.4535 0.2393 0.3262 ( 3190 PWs) bands (ev): -28.8224 -28.8224 -28.8224 -28.8224 -11.7131 -11.7131 -11.7131 -11.7131 -10.6717 -10.6717 -10.6717 -10.6717 -10.4594 -10.4594 -10.4594 -10.4594 2.3563 2.3563 2.3563 2.3563 3.1025 3.1025 3.1025 3.1025 8.5229 8.5229 8.5229 8.5229 10.6418 10.6418 10.6418 10.6418 k =-0.4651 0.2454 0.3262 ( 3190 PWs) bands (ev): -28.8223 -28.8223 -28.8223 -28.8223 -11.7137 -11.7137 -11.7137 -11.7137 -10.6726 -10.6726 -10.6726 -10.6726 -10.4600 -10.4600 -10.4600 -10.4600 2.3742 2.3742 2.3742 2.3742 3.0869 3.0869 3.0869 3.0869 8.5115 8.5115 8.5115 8.5115 10.6582 10.6582 10.6582 10.6582 k =-0.4767 0.2516 0.3262 ( 3188 PWs) bands (ev): -28.8222 -28.8222 -28.8222 -28.8222 -11.7142 -11.7142 -11.7142 -11.7142 -10.6733 -10.6733 -10.6733 -10.6733 -10.4605 -10.4605 -10.4605 -10.4605 2.3875 2.3875 2.3875 2.3875 3.0754 3.0754 3.0754 3.0754 8.5033 8.5033 8.5033 8.5033 10.6662 10.6662 10.6662 10.6662 k =-0.4884 0.2577 0.3262 ( 3192 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -11.7144 -11.7144 -11.7144 -11.7144 -10.6737 -10.6737 -10.6737 -10.6737 -10.4607 -10.4607 -10.4607 -10.4607 2.3957 2.3957 2.3957 2.3957 3.0683 3.0683 3.0683 3.0683 8.4983 8.4983 8.4983 8.4983 10.6693 10.6693 10.6693 10.6693 k =-0.5000 0.2639 0.3262 ( 3188 PWs) bands (ev): -28.8221 -28.8221 -28.8221 -28.8221 -11.7145 -11.7145 -11.7145 -11.7145 -10.6739 -10.6739 -10.6739 -10.6739 -10.4608 -10.4608 -10.4608 -10.4608 2.3985 2.3985 2.3985 2.3985 3.0659 3.0659 3.0659 3.0659 8.4966 8.4966 8.4966 8.4966 10.6701 10.6701 10.6701 10.6701 Writing output data file SrH2.save init_run : 0.40s CPU 0.59s WALL ( 1 calls) electrons : 92.30s CPU 93.95s 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 : 92.30s CPU 93.95s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 412 calls) cegterg : 85.00s CPU 86.25s WALL ( 643 calls) Called by sum_band: Called by *egterg: h_psi : 47.56s CPU 48.47s WALL ( 9712 calls) s_psi : 1.90s CPU 1.83s WALL ( 9712 calls) g_psi : 0.13s CPU 0.16s WALL ( 8657 calls) cdiaghg : 33.92s CPU 34.41s WALL ( 9069 calls) cegterg:over : 2.58s CPU 2.71s WALL ( 8657 calls) cegterg:upda : 2.21s CPU 2.14s WALL ( 8657 calls) cegterg:last : 1.19s CPU 1.20s WALL ( 1476 calls) cdiaghg:chol : 1.80s CPU 1.77s WALL ( 9069 calls) cdiaghg:inve : 1.00s CPU 0.91s WALL ( 9069 calls) cdiaghg:para : 1.93s CPU 1.95s WALL ( 18138 calls) Called by h_psi: h_psi:vloc : 43.13s CPU 43.93s WALL ( 9712 calls) h_psi:vnl : 4.36s CPU 4.45s WALL ( 9712 calls) add_vuspsi : 2.23s CPU 2.34s WALL ( 9712 calls) General routines calbec : 2.10s CPU 2.09s WALL ( 9712 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.54s CPU 41.28s WALL ( 622628 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.18s WALL ( 824 calls) Parallel routines fft_scatter : 15.41s CPU 15.62s WALL ( 622651 calls) PWSCF : 1m43.69s CPU 1m58.76s WALL This run was terminated on: 19:12:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=