Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:24:41 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: ./F2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 14 4 1172 580 96 Max 23 15 5 1179 595 105 Sum 821 507 159 42301 21123 3585 bravais-lattice index = 14 lattice parameter (alat) = 6.0507 a.u. unit-cell volume = 443.1333 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.050695 celldm(2)= 1.000000 celldm(3)= 2.273657 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.475307 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.475307 0.879820 0.000000 ) a(3) = ( 0.000000 0.000000 2.273657 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.540233 -0.000000 ) b(2) = ( 0.000000 1.136596 -0.000000 ) b(3) = ( 0.000000 0.000000 0.439820 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) 2 Sym. Ops., with inversion, found 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 457 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0086207 0.0051411 -0.0000000), wk = 0.0021882 k( 3) = ( 0.0172414 0.0102821 -0.0000000), wk = 0.0021882 k( 4) = ( 0.0258621 0.0154232 -0.0000000), wk = 0.0021882 k( 5) = ( 0.0344828 0.0205643 -0.0000000), wk = 0.0021882 k( 6) = ( 0.0431035 0.0257053 -0.0000000), wk = 0.0021882 k( 7) = ( 0.0517241 0.0308464 -0.0000000), wk = 0.0021882 k( 8) = ( 0.0603448 0.0359875 -0.0000000), wk = 0.0021882 k( 9) = ( 0.0689655 0.0411285 -0.0000000), wk = 0.0021882 k( 10) = ( 0.0775862 0.0462696 -0.0000000), wk = 0.0021882 k( 11) = ( 0.0862069 0.0514107 -0.0000000), wk = 0.0021882 k( 12) = ( 0.0948276 0.0565517 -0.0000000), wk = 0.0021882 k( 13) = ( 0.1034483 0.0616928 -0.0000000), wk = 0.0021882 k( 14) = ( 0.1120690 0.0668339 -0.0000000), wk = 0.0021882 k( 15) = ( 0.1206897 0.0719749 -0.0000000), wk = 0.0021882 k( 16) = ( 0.1293103 0.0771160 -0.0000000), wk = 0.0021882 k( 17) = ( 0.1379310 0.0822571 -0.0000000), wk = 0.0021882 k( 18) = ( 0.1465517 0.0873981 -0.0000000), wk = 0.0021882 k( 19) = ( 0.1551724 0.0925392 -0.0000000), wk = 0.0021882 k( 20) = ( 0.1637931 0.0976802 -0.0000000), wk = 0.0021882 k( 21) = ( 0.1724138 0.1028213 -0.0000000), wk = 0.0021882 k( 22) = ( 0.1810345 0.1079624 -0.0000000), wk = 0.0021882 k( 23) = ( 0.1896552 0.1131034 -0.0000000), wk = 0.0021882 k( 24) = ( 0.1982759 0.1182445 -0.0000000), wk = 0.0021882 k( 25) = ( 0.2068966 0.1233856 -0.0000000), wk = 0.0021882 k( 26) = ( 0.2155172 0.1285266 -0.0000000), wk = 0.0021882 k( 27) = ( 0.2241379 0.1336677 -0.0000000), wk = 0.0021882 k( 28) = ( 0.2327586 0.1388088 -0.0000000), wk = 0.0021882 k( 29) = ( 0.2413793 0.1439498 -0.0000000), wk = 0.0021882 k( 30) = ( 0.2500000 0.1490909 -0.0000000), wk = 0.0021882 k( 31) = ( 0.2586207 0.1542320 -0.0000000), wk = 0.0021882 k( 32) = ( 0.2672414 0.1593730 -0.0000000), wk = 0.0021882 k( 33) = ( 0.2758621 0.1645141 -0.0000000), wk = 0.0021882 k( 34) = ( 0.2844828 0.1696552 -0.0000000), wk = 0.0021882 k( 35) = ( 0.2931034 0.1747962 -0.0000000), wk = 0.0021882 k( 36) = ( 0.3017241 0.1799373 -0.0000000), wk = 0.0021882 k( 37) = ( 0.3103448 0.1850784 -0.0000000), wk = 0.0021882 k( 38) = ( 0.3189655 0.1902194 -0.0000000), wk = 0.0021882 k( 39) = ( 0.3275862 0.1953605 -0.0000000), wk = 0.0021882 k( 40) = ( 0.3362069 0.2005016 -0.0000000), wk = 0.0021882 k( 41) = ( 0.3448276 0.2056426 -0.0000000), wk = 0.0021882 k( 42) = ( 0.3534483 0.2107837 -0.0000000), wk = 0.0021882 k( 43) = ( 0.3620690 0.2159248 -0.0000000), wk = 0.0021882 k( 44) = ( 0.3706897 0.2210658 -0.0000000), wk = 0.0021882 k( 45) = ( 0.3793103 0.2262069 -0.0000000), wk = 0.0021882 k( 46) = ( 0.3879310 0.2313480 -0.0000000), wk = 0.0021882 k( 47) = ( 0.3965517 0.2364890 -0.0000000), wk = 0.0021882 k( 48) = ( 0.4051724 0.2416301 -0.0000000), wk = 0.0021882 k( 49) = ( 0.4137931 0.2467712 -0.0000000), wk = 0.0021882 k( 50) = ( 0.4224138 0.2519122 -0.0000000), wk = 0.0021882 k( 51) = ( 0.4310345 0.2570533 -0.0000000), wk = 0.0021882 k( 52) = ( 0.4396552 0.2621944 -0.0000000), wk = 0.0021882 k( 53) = ( 0.4482759 0.2673354 -0.0000000), wk = 0.0021882 k( 54) = ( 0.4568966 0.2724765 -0.0000000), wk = 0.0021882 k( 55) = ( 0.4655172 0.2776176 -0.0000000), wk = 0.0021882 k( 56) = ( 0.4741379 0.2827586 -0.0000000), wk = 0.0021882 k( 57) = ( 0.4827586 0.2878997 -0.0000000), wk = 0.0021882 k( 58) = ( 0.4913793 0.2930408 -0.0000000), wk = 0.0021882 k( 59) = ( 0.5000000 0.2981818 -0.0000000), wk = 0.0021882 k( 60) = ( 0.5000000 0.2981818 -0.0000000), wk = 0.0021882 k( 61) = ( 0.5000000 0.2981818 0.0099959), wk = 0.0021882 k( 62) = ( 0.5000000 0.2981818 0.0199918), wk = 0.0021882 k( 63) = ( 0.5000000 0.2981818 0.0299877), wk = 0.0021882 k( 64) = ( 0.5000000 0.2981818 0.0399836), wk = 0.0021882 k( 65) = ( 0.5000000 0.2981818 0.0499796), wk = 0.0021882 k( 66) = ( 0.5000000 0.2981818 0.0599755), wk = 0.0021882 k( 67) = ( 0.5000000 0.2981818 0.0699714), wk = 0.0021882 k( 68) = ( 0.5000000 0.2981818 0.0799673), wk = 0.0021882 k( 69) = ( 0.5000000 0.2981818 0.0899632), wk = 0.0021882 k( 70) = ( 0.5000000 0.2981818 0.0999591), wk = 0.0021882 k( 71) = ( 0.5000000 0.2981818 0.1099550), wk = 0.0021882 k( 72) = ( 0.5000000 0.2981818 0.1199509), wk = 0.0021882 k( 73) = ( 0.5000000 0.2981818 0.1299468), wk = 0.0021882 k( 74) = ( 0.5000000 0.2981818 0.1399427), wk = 0.0021882 k( 75) = ( 0.5000000 0.2981818 0.1499387), wk = 0.0021882 k( 76) = ( 0.5000000 0.2981818 0.1599346), wk = 0.0021882 k( 77) = ( 0.5000000 0.2981818 0.1699305), wk = 0.0021882 k( 78) = ( 0.5000000 0.2981818 0.1799264), wk = 0.0021882 k( 79) = ( 0.5000000 0.2981818 0.1899223), wk = 0.0021882 k( 80) = ( 0.5000000 0.2981818 0.1999182), wk = 0.0021882 k( 81) = ( 0.5000000 0.2981818 0.2099141), wk = 0.0021882 k( 82) = ( 0.5000000 0.2981818 0.2199100), wk = 0.0021882 k( 83) = ( 0.5000000 0.2981818 0.2199100), wk = 0.0021882 k( 84) = ( 0.5000000 0.2981818 0.2199100), wk = 0.0021882 k( 85) = ( 0.5000000 0.2981818 0.2199100), wk = 0.0021882 k( 86) = ( 0.5051964 0.2894684 0.2199100), wk = 0.0021882 k( 87) = ( 0.5103927 0.2807550 0.2199100), wk = 0.0021882 k( 88) = ( 0.5155891 0.2720415 0.2199100), wk = 0.0021882 k( 89) = ( 0.5207855 0.2633281 0.2199100), wk = 0.0021882 k( 90) = ( 0.5259819 0.2546147 0.2199100), wk = 0.0021882 k( 91) = ( 0.5311782 0.2459012 0.2199100), wk = 0.0021882 k( 92) = ( 0.5363746 0.2371878 0.2199100), wk = 0.0021882 k( 93) = ( 0.5415710 0.2284744 0.2199100), wk = 0.0021882 k( 94) = ( 0.5467674 0.2197609 0.2199100), wk = 0.0021882 k( 95) = ( 0.5519637 0.2110475 0.2199100), wk = 0.0021882 k( 96) = ( 0.5571601 0.2023341 0.2199100), wk = 0.0021882 k( 97) = ( 0.5623565 0.1936206 0.2199100), wk = 0.0021882 k( 98) = ( 0.5675529 0.1849072 0.2199100), wk = 0.0021882 k( 99) = ( 0.5727492 0.1761938 0.2199100), wk = 0.0021882 k( 100) = ( 0.5779456 0.1674803 0.2199100), wk = 0.0021882 k( 101) = ( 0.5831420 0.1587669 0.2199100), wk = 0.0021882 k( 102) = ( 0.5883384 0.1500535 0.2199100), wk = 0.0021882 k( 103) = ( 0.5935347 0.1413400 0.2199100), wk = 0.0021882 k( 104) = ( 0.5987311 0.1326266 0.2199100), wk = 0.0021882 k( 105) = ( 0.6039275 0.1239132 0.2199100), wk = 0.0021882 k( 106) = ( 0.6091239 0.1151997 0.2199100), wk = 0.0021882 k( 107) = ( 0.6143202 0.1064863 0.2199100), wk = 0.0021882 k( 108) = ( 0.6195166 0.0977729 0.2199100), wk = 0.0021882 k( 109) = ( 0.6247130 0.0890594 0.2199100), wk = 0.0021882 k( 110) = ( 0.6299094 0.0803460 0.2199100), wk = 0.0021882 k( 111) = ( 0.6351057 0.0716326 0.2199100), wk = 0.0021882 k( 112) = ( 0.6403021 0.0629191 0.2199100), wk = 0.0021882 k( 113) = ( 0.6454985 0.0542057 0.2199100), wk = 0.0021882 k( 114) = ( 0.6506949 0.0454923 0.2199100), wk = 0.0021882 k( 115) = ( 0.6558912 0.0367788 0.2199100), wk = 0.0021882 k( 116) = ( 0.6610876 0.0280654 0.2199100), wk = 0.0021882 k( 117) = ( 0.3389124 -0.5682982 0.2199100), wk = 0.0021882 k( 118) = ( 0.3336984 -0.5595552 0.2199100), wk = 0.0021882 k( 119) = ( 0.3284843 -0.5508121 0.2199100), wk = 0.0021882 k( 120) = ( 0.3232703 -0.5420691 0.2199100), wk = 0.0021882 k( 121) = ( 0.3180562 -0.5333260 0.2199100), wk = 0.0021882 k( 122) = ( 0.3128422 -0.5245830 0.2199100), wk = 0.0021882 k( 123) = ( 0.3076282 -0.5158399 0.2199100), wk = 0.0021882 k( 124) = ( 0.3024141 -0.5070969 0.2199100), wk = 0.0021882 k( 125) = ( 0.2972001 -0.4983538 0.2199100), wk = 0.0021882 k( 126) = ( 0.2919861 -0.4896108 0.2199100), wk = 0.0021882 k( 127) = ( 0.2867720 -0.4808677 0.2199100), wk = 0.0021882 k( 128) = ( 0.2815580 -0.4721247 0.2199100), wk = 0.0021882 k( 129) = ( 0.2763440 -0.4633816 0.2199100), wk = 0.0021882 k( 130) = ( 0.2711299 -0.4546386 0.2199100), wk = 0.0021882 k( 131) = ( 0.2659159 -0.4458955 0.2199100), wk = 0.0021882 k( 132) = ( 0.2607018 -0.4371525 0.2199100), wk = 0.0021882 k( 133) = ( 0.2554878 -0.4284094 0.2199100), wk = 0.0021882 k( 134) = ( 0.2502738 -0.4196664 0.2199100), wk = 0.0021882 k( 135) = ( 0.2450597 -0.4109233 0.2199100), wk = 0.0021882 k( 136) = ( 0.2398457 -0.4021803 0.2199100), wk = 0.0021882 k( 137) = ( 0.2346317 -0.3934372 0.2199100), wk = 0.0021882 k( 138) = ( 0.2294176 -0.3846942 0.2199100), wk = 0.0021882 k( 139) = ( 0.2242036 -0.3759511 0.2199100), wk = 0.0021882 k( 140) = ( 0.2189896 -0.3672081 0.2199100), wk = 0.0021882 k( 141) = ( 0.2137755 -0.3584650 0.2199100), wk = 0.0021882 k( 142) = ( 0.2085615 -0.3497220 0.2199100), wk = 0.0021882 k( 143) = ( 0.2033474 -0.3409789 0.2199100), wk = 0.0021882 k( 144) = ( 0.1981334 -0.3322359 0.2199100), wk = 0.0021882 k( 145) = ( 0.1929194 -0.3234928 0.2199100), wk = 0.0021882 k( 146) = ( 0.1877053 -0.3147498 0.2199100), wk = 0.0021882 k( 147) = ( 0.1824913 -0.3060067 0.2199100), wk = 0.0021882 k( 148) = ( 0.1772772 -0.2972637 0.2199100), wk = 0.0021882 k( 149) = ( 0.1720632 -0.2885206 0.2199100), wk = 0.0021882 k( 150) = ( 0.1668492 -0.2797776 0.2199100), wk = 0.0021882 k( 151) = ( 0.1616351 -0.2710345 0.2199100), wk = 0.0021882 k( 152) = ( 0.1564211 -0.2622915 0.2199100), wk = 0.0021882 k( 153) = ( 0.1512071 -0.2535484 0.2199100), wk = 0.0021882 k( 154) = ( 0.1459930 -0.2448054 0.2199100), wk = 0.0021882 k( 155) = ( 0.1407790 -0.2360623 0.2199100), wk = 0.0021882 k( 156) = ( 0.1355650 -0.2273193 0.2199100), wk = 0.0021882 k( 157) = ( 0.1303509 -0.2185762 0.2199100), wk = 0.0021882 k( 158) = ( 0.1251369 -0.2098332 0.2199100), wk = 0.0021882 k( 159) = ( 0.1199228 -0.2010901 0.2199100), wk = 0.0021882 k( 160) = ( 0.1147088 -0.1923471 0.2199100), wk = 0.0021882 k( 161) = ( 0.1094948 -0.1836040 0.2199100), wk = 0.0021882 k( 162) = ( 0.1042807 -0.1748610 0.2199100), wk = 0.0021882 k( 163) = ( 0.0990667 -0.1661179 0.2199100), wk = 0.0021882 k( 164) = ( 0.0938527 -0.1573749 0.2199100), wk = 0.0021882 k( 165) = ( 0.0886386 -0.1486318 0.2199100), wk = 0.0021882 k( 166) = ( 0.0834246 -0.1398888 0.2199100), wk = 0.0021882 k( 167) = ( 0.0782106 -0.1311457 0.2199100), wk = 0.0021882 k( 168) = ( 0.0729965 -0.1224027 0.2199100), wk = 0.0021882 k( 169) = ( 0.0677825 -0.1136596 0.2199100), wk = 0.0021882 k( 170) = ( 0.0625684 -0.1049166 0.2199100), wk = 0.0021882 k( 171) = ( 0.0573544 -0.0961736 0.2199100), wk = 0.0021882 k( 172) = ( 0.0521404 -0.0874305 0.2199100), wk = 0.0021882 k( 173) = ( 0.0469263 -0.0786874 0.2199100), wk = 0.0021882 k( 174) = ( 0.0417123 -0.0699444 0.2199100), wk = 0.0021882 k( 175) = ( 0.0364983 -0.0612014 0.2199100), wk = 0.0021882 k( 176) = ( 0.0312842 -0.0524583 0.2199100), wk = 0.0021882 k( 177) = ( 0.0260702 -0.0437152 0.2199100), wk = 0.0021882 k( 178) = ( 0.0208562 -0.0349722 0.2199100), wk = 0.0021882 k( 179) = ( 0.0156421 -0.0262291 0.2199100), wk = 0.0021882 k( 180) = ( 0.0104281 -0.0174861 0.2199100), wk = 0.0021882 k( 181) = ( 0.0052140 -0.0087431 0.2199100), wk = 0.0021882 k( 182) = ( 0.0000000 0.0000000 0.2199100), wk = 0.0021882 k( 183) = ( 0.0000000 0.0000000 0.2199100), wk = 0.0021882 k( 184) = ( 0.0086207 0.0051411 0.2199100), wk = 0.0021882 k( 185) = ( 0.0172414 0.0102821 0.2199100), wk = 0.0021882 k( 186) = ( 0.0258621 0.0154232 0.2199100), wk = 0.0021882 k( 187) = ( 0.0344828 0.0205643 0.2199100), wk = 0.0021882 k( 188) = ( 0.0431035 0.0257053 0.2199100), wk = 0.0021882 k( 189) = ( 0.0517241 0.0308464 0.2199100), wk = 0.0021882 k( 190) = ( 0.0603448 0.0359875 0.2199100), wk = 0.0021882 k( 191) = ( 0.0689655 0.0411285 0.2199100), wk = 0.0021882 k( 192) = ( 0.0775862 0.0462696 0.2199100), wk = 0.0021882 k( 193) = ( 0.0862069 0.0514107 0.2199100), wk = 0.0021882 k( 194) = ( 0.0948276 0.0565517 0.2199100), wk = 0.0021882 k( 195) = ( 0.1034483 0.0616928 0.2199100), wk = 0.0021882 k( 196) = ( 0.1120690 0.0668339 0.2199100), wk = 0.0021882 k( 197) = ( 0.1206897 0.0719749 0.2199100), wk = 0.0021882 k( 198) = ( 0.1293103 0.0771160 0.2199100), wk = 0.0021882 k( 199) = ( 0.1379310 0.0822571 0.2199100), wk = 0.0021882 k( 200) = ( 0.1465517 0.0873981 0.2199100), wk = 0.0021882 k( 201) = ( 0.1551724 0.0925392 0.2199100), wk = 0.0021882 k( 202) = ( 0.1637931 0.0976802 0.2199100), wk = 0.0021882 k( 203) = ( 0.1724138 0.1028213 0.2199100), wk = 0.0021882 k( 204) = ( 0.1810345 0.1079624 0.2199100), wk = 0.0021882 k( 205) = ( 0.1896552 0.1131034 0.2199100), wk = 0.0021882 k( 206) = ( 0.1982759 0.1182445 0.2199100), wk = 0.0021882 k( 207) = ( 0.2068966 0.1233856 0.2199100), wk = 0.0021882 k( 208) = ( 0.2155172 0.1285266 0.2199100), wk = 0.0021882 k( 209) = ( 0.2241379 0.1336677 0.2199100), wk = 0.0021882 k( 210) = ( 0.2327586 0.1388088 0.2199100), wk = 0.0021882 k( 211) = ( 0.2413793 0.1439498 0.2199100), wk = 0.0021882 k( 212) = ( 0.2500000 0.1490909 0.2199100), wk = 0.0021882 k( 213) = ( 0.2586207 0.1542320 0.2199100), wk = 0.0021882 k( 214) = ( 0.2672414 0.1593730 0.2199100), wk = 0.0021882 k( 215) = ( 0.2758621 0.1645141 0.2199100), wk = 0.0021882 k( 216) = ( 0.2844828 0.1696552 0.2199100), wk = 0.0021882 k( 217) = ( 0.2931034 0.1747962 0.2199100), wk = 0.0021882 k( 218) = ( 0.3017241 0.1799373 0.2199100), wk = 0.0021882 k( 219) = ( 0.3103448 0.1850784 0.2199100), wk = 0.0021882 k( 220) = ( 0.3189655 0.1902194 0.2199100), wk = 0.0021882 k( 221) = ( 0.3275862 0.1953605 0.2199100), wk = 0.0021882 k( 222) = ( 0.3362069 0.2005016 0.2199100), wk = 0.0021882 k( 223) = ( 0.3448276 0.2056426 0.2199100), wk = 0.0021882 k( 224) = ( 0.3534483 0.2107837 0.2199100), wk = 0.0021882 k( 225) = ( 0.3620690 0.2159248 0.2199100), wk = 0.0021882 k( 226) = ( 0.3706897 0.2210658 0.2199100), wk = 0.0021882 k( 227) = ( 0.3793103 0.2262069 0.2199100), wk = 0.0021882 k( 228) = ( 0.3879310 0.2313480 0.2199100), wk = 0.0021882 k( 229) = ( 0.3965517 0.2364890 0.2199100), wk = 0.0021882 k( 230) = ( 0.4051724 0.2416301 0.2199100), wk = 0.0021882 k( 231) = ( 0.4137931 0.2467712 0.2199100), wk = 0.0021882 k( 232) = ( 0.4224138 0.2519122 0.2199100), wk = 0.0021882 k( 233) = ( 0.4310345 0.2570533 0.2199100), wk = 0.0021882 k( 234) = ( 0.4396552 0.2621944 0.2199100), wk = 0.0021882 k( 235) = ( 0.4482759 0.2673354 0.2199100), wk = 0.0021882 k( 236) = ( 0.4568966 0.2724765 0.2199100), wk = 0.0021882 k( 237) = ( 0.4655172 0.2776176 0.2199100), wk = 0.0021882 k( 238) = ( 0.4741379 0.2827586 0.2199100), wk = 0.0021882 k( 239) = ( 0.4827586 0.2878997 0.2199100), wk = 0.0021882 k( 240) = ( 0.4913793 0.2930408 0.2199100), wk = 0.0021882 k( 241) = ( 0.5000000 0.2981818 0.2199100), wk = 0.0021882 k( 242) = ( 0.5000000 0.2981818 -0.0000000), wk = 0.0021882 k( 243) = ( 0.5051964 0.2894684 -0.0000000), wk = 0.0021882 k( 244) = ( 0.5103927 0.2807550 -0.0000000), wk = 0.0021882 k( 245) = ( 0.5155891 0.2720415 -0.0000000), wk = 0.0021882 k( 246) = ( 0.5207855 0.2633281 -0.0000000), wk = 0.0021882 k( 247) = ( 0.5259819 0.2546147 -0.0000000), wk = 0.0021882 k( 248) = ( 0.5311782 0.2459012 -0.0000000), wk = 0.0021882 k( 249) = ( 0.5363746 0.2371878 -0.0000000), wk = 0.0021882 k( 250) = ( 0.5415710 0.2284744 -0.0000000), wk = 0.0021882 k( 251) = ( 0.5467674 0.2197609 -0.0000000), wk = 0.0021882 k( 252) = ( 0.5519637 0.2110475 -0.0000000), wk = 0.0021882 k( 253) = ( 0.5571601 0.2023341 -0.0000000), wk = 0.0021882 k( 254) = ( 0.5623565 0.1936206 -0.0000000), wk = 0.0021882 k( 255) = ( 0.5675529 0.1849072 -0.0000000), wk = 0.0021882 k( 256) = ( 0.5727492 0.1761938 -0.0000000), wk = 0.0021882 k( 257) = ( 0.5779456 0.1674803 -0.0000000), wk = 0.0021882 k( 258) = ( 0.5831420 0.1587669 -0.0000000), wk = 0.0021882 k( 259) = ( 0.5883384 0.1500535 -0.0000000), wk = 0.0021882 k( 260) = ( 0.5935347 0.1413400 -0.0000000), wk = 0.0021882 k( 261) = ( 0.5987311 0.1326266 -0.0000000), wk = 0.0021882 k( 262) = ( 0.6039275 0.1239132 -0.0000000), wk = 0.0021882 k( 263) = ( 0.6091239 0.1151997 -0.0000000), wk = 0.0021882 k( 264) = ( 0.6143202 0.1064863 -0.0000000), wk = 0.0021882 k( 265) = ( 0.6195166 0.0977729 -0.0000000), wk = 0.0021882 k( 266) = ( 0.6247130 0.0890594 -0.0000000), wk = 0.0021882 k( 267) = ( 0.6299094 0.0803460 -0.0000000), wk = 0.0021882 k( 268) = ( 0.6351057 0.0716326 -0.0000000), wk = 0.0021882 k( 269) = ( 0.6403021 0.0629191 -0.0000000), wk = 0.0021882 k( 270) = ( 0.6454985 0.0542057 -0.0000000), wk = 0.0021882 k( 271) = ( 0.6506949 0.0454923 -0.0000000), wk = 0.0021882 k( 272) = ( 0.6558912 0.0367788 -0.0000000), wk = 0.0021882 k( 273) = ( 0.6610876 0.0280654 -0.0000000), wk = 0.0021882 k( 274) = ( 0.3389124 -0.5682982 -0.0000000), wk = 0.0021882 k( 275) = ( 0.3336984 -0.5595552 -0.0000000), wk = 0.0021882 k( 276) = ( 0.3284843 -0.5508121 -0.0000000), wk = 0.0021882 k( 277) = ( 0.3232703 -0.5420691 -0.0000000), wk = 0.0021882 k( 278) = ( 0.3180562 -0.5333260 -0.0000000), wk = 0.0021882 k( 279) = ( 0.3128422 -0.5245830 -0.0000000), wk = 0.0021882 k( 280) = ( 0.3076282 -0.5158399 -0.0000000), wk = 0.0021882 k( 281) = ( 0.3024141 -0.5070969 -0.0000000), wk = 0.0021882 k( 282) = ( 0.2972001 -0.4983538 -0.0000000), wk = 0.0021882 k( 283) = ( 0.2919861 -0.4896108 -0.0000000), wk = 0.0021882 k( 284) = ( 0.2867720 -0.4808677 -0.0000000), wk = 0.0021882 k( 285) = ( 0.2815580 -0.4721247 -0.0000000), wk = 0.0021882 k( 286) = ( 0.2763440 -0.4633816 -0.0000000), wk = 0.0021882 k( 287) = ( 0.2711299 -0.4546386 -0.0000000), wk = 0.0021882 k( 288) = ( 0.2659159 -0.4458955 -0.0000000), wk = 0.0021882 k( 289) = ( 0.2607018 -0.4371525 -0.0000000), wk = 0.0021882 k( 290) = ( 0.2554878 -0.4284094 -0.0000000), wk = 0.0021882 k( 291) = ( 0.2502738 -0.4196664 -0.0000000), wk = 0.0021882 k( 292) = ( 0.2450597 -0.4109233 -0.0000000), wk = 0.0021882 k( 293) = ( 0.2398457 -0.4021803 -0.0000000), wk = 0.0021882 k( 294) = ( 0.2346317 -0.3934372 -0.0000000), wk = 0.0021882 k( 295) = ( 0.2294176 -0.3846942 -0.0000000), wk = 0.0021882 k( 296) = ( 0.2242036 -0.3759511 -0.0000000), wk = 0.0021882 k( 297) = ( 0.2189896 -0.3672081 -0.0000000), wk = 0.0021882 k( 298) = ( 0.2137755 -0.3584650 -0.0000000), wk = 0.0021882 k( 299) = ( 0.2085615 -0.3497220 -0.0000000), wk = 0.0021882 k( 300) = ( 0.2033474 -0.3409789 -0.0000000), wk = 0.0021882 k( 301) = ( 0.1981334 -0.3322359 -0.0000000), wk = 0.0021882 k( 302) = ( 0.1929194 -0.3234928 -0.0000000), wk = 0.0021882 k( 303) = ( 0.1877053 -0.3147498 -0.0000000), wk = 0.0021882 k( 304) = ( 0.1824913 -0.3060067 -0.0000000), wk = 0.0021882 k( 305) = ( 0.1772772 -0.2972637 -0.0000000), wk = 0.0021882 k( 306) = ( 0.1720632 -0.2885206 -0.0000000), wk = 0.0021882 k( 307) = ( 0.1668492 -0.2797776 -0.0000000), wk = 0.0021882 k( 308) = ( 0.1616351 -0.2710345 -0.0000000), wk = 0.0021882 k( 309) = ( 0.1564211 -0.2622915 -0.0000000), wk = 0.0021882 k( 310) = ( 0.1512071 -0.2535484 -0.0000000), wk = 0.0021882 k( 311) = ( 0.1459930 -0.2448054 -0.0000000), wk = 0.0021882 k( 312) = ( 0.1407790 -0.2360623 -0.0000000), wk = 0.0021882 k( 313) = ( 0.1355650 -0.2273193 -0.0000000), wk = 0.0021882 k( 314) = ( 0.1303509 -0.2185762 -0.0000000), wk = 0.0021882 k( 315) = ( 0.1251369 -0.2098332 -0.0000000), wk = 0.0021882 k( 316) = ( 0.1199228 -0.2010901 -0.0000000), wk = 0.0021882 k( 317) = ( 0.1147088 -0.1923471 -0.0000000), wk = 0.0021882 k( 318) = ( 0.1094948 -0.1836040 -0.0000000), wk = 0.0021882 k( 319) = ( 0.1042807 -0.1748610 -0.0000000), wk = 0.0021882 k( 320) = ( 0.0990667 -0.1661179 -0.0000000), wk = 0.0021882 k( 321) = ( 0.0938527 -0.1573749 -0.0000000), wk = 0.0021882 k( 322) = ( 0.0886386 -0.1486318 -0.0000000), wk = 0.0021882 k( 323) = ( 0.0834246 -0.1398888 -0.0000000), wk = 0.0021882 k( 324) = ( 0.0782106 -0.1311457 -0.0000000), wk = 0.0021882 k( 325) = ( 0.0729965 -0.1224027 -0.0000000), wk = 0.0021882 k( 326) = ( 0.0677825 -0.1136596 -0.0000000), wk = 0.0021882 k( 327) = ( 0.0625684 -0.1049166 -0.0000000), wk = 0.0021882 k( 328) = ( 0.0573544 -0.0961736 -0.0000000), wk = 0.0021882 k( 329) = ( 0.0521404 -0.0874305 -0.0000000), wk = 0.0021882 k( 330) = ( 0.0469263 -0.0786874 -0.0000000), wk = 0.0021882 k( 331) = ( 0.0417123 -0.0699444 -0.0000000), wk = 0.0021882 k( 332) = ( 0.0364983 -0.0612014 -0.0000000), wk = 0.0021882 k( 333) = ( 0.0312842 -0.0524583 -0.0000000), wk = 0.0021882 k( 334) = ( 0.0260702 -0.0437152 -0.0000000), wk = 0.0021882 k( 335) = ( 0.0208562 -0.0349722 -0.0000000), wk = 0.0021882 k( 336) = ( 0.0156421 -0.0262291 -0.0000000), wk = 0.0021882 k( 337) = ( 0.0104281 -0.0174861 -0.0000000), wk = 0.0021882 k( 338) = ( 0.0052140 -0.0087431 -0.0000000), wk = 0.0021882 k( 339) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 340) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 341) = ( 0.0089286 -0.0048235 -0.0000000), wk = 0.0021882 k( 342) = ( 0.0178571 -0.0096470 -0.0000000), wk = 0.0021882 k( 343) = ( 0.0267857 -0.0144705 -0.0000000), wk = 0.0021882 k( 344) = ( 0.0357143 -0.0192940 -0.0000000), wk = 0.0021882 k( 345) = ( 0.0446429 -0.0241175 -0.0000000), wk = 0.0021882 k( 346) = ( 0.0535714 -0.0289410 -0.0000000), wk = 0.0021882 k( 347) = ( 0.0625000 -0.0337646 -0.0000000), wk = 0.0021882 k( 348) = ( 0.0714286 -0.0385881 -0.0000000), wk = 0.0021882 k( 349) = ( 0.0803571 -0.0434116 -0.0000000), wk = 0.0021882 k( 350) = ( 0.0892857 -0.0482351 -0.0000000), wk = 0.0021882 k( 351) = ( 0.0982143 -0.0530586 -0.0000000), wk = 0.0021882 k( 352) = ( 0.1071429 -0.0578821 -0.0000000), wk = 0.0021882 k( 353) = ( 0.1160714 -0.0627056 -0.0000000), wk = 0.0021882 k( 354) = ( 0.1250000 -0.0675291 -0.0000000), wk = 0.0021882 k( 355) = ( 0.1339286 -0.0723526 -0.0000000), wk = 0.0021882 k( 356) = ( 0.1428571 -0.0771761 -0.0000000), wk = 0.0021882 k( 357) = ( 0.1517857 -0.0819996 -0.0000000), wk = 0.0021882 k( 358) = ( 0.1607143 -0.0868231 -0.0000000), wk = 0.0021882 k( 359) = ( 0.1696429 -0.0916466 -0.0000000), wk = 0.0021882 k( 360) = ( 0.1785714 -0.0964701 -0.0000000), wk = 0.0021882 k( 361) = ( 0.1875000 -0.1012937 -0.0000000), wk = 0.0021882 k( 362) = ( 0.1964286 -0.1061172 -0.0000000), wk = 0.0021882 k( 363) = ( 0.2053571 -0.1109407 -0.0000000), wk = 0.0021882 k( 364) = ( 0.2142857 -0.1157642 -0.0000000), wk = 0.0021882 k( 365) = ( 0.2232143 -0.1205877 -0.0000000), wk = 0.0021882 k( 366) = ( 0.2321429 -0.1254112 -0.0000000), wk = 0.0021882 k( 367) = ( 0.2410714 -0.1302347 -0.0000000), wk = 0.0021882 k( 368) = ( 0.2500000 -0.1350582 -0.0000000), wk = 0.0021882 k( 369) = ( 0.2589286 -0.1398817 -0.0000000), wk = 0.0021882 k( 370) = ( 0.2678571 -0.1447052 -0.0000000), wk = 0.0021882 k( 371) = ( 0.2767857 -0.1495287 -0.0000000), wk = 0.0021882 k( 372) = ( 0.2857143 -0.1543522 -0.0000000), wk = 0.0021882 k( 373) = ( 0.2946429 -0.1591757 -0.0000000), wk = 0.0021882 k( 374) = ( 0.3035714 -0.1639992 -0.0000000), wk = 0.0021882 k( 375) = ( 0.3125000 -0.1688228 -0.0000000), wk = 0.0021882 k( 376) = ( 0.3214286 -0.1736463 -0.0000000), wk = 0.0021882 k( 377) = ( 0.3303571 -0.1784698 -0.0000000), wk = 0.0021882 k( 378) = ( 0.3392857 -0.1832933 -0.0000000), wk = 0.0021882 k( 379) = ( 0.3482143 -0.1881168 -0.0000000), wk = 0.0021882 k( 380) = ( 0.3571429 -0.1929403 -0.0000000), wk = 0.0021882 k( 381) = ( 0.3660714 -0.1977638 -0.0000000), wk = 0.0021882 k( 382) = ( 0.3750000 -0.2025873 -0.0000000), wk = 0.0021882 k( 383) = ( 0.3839286 -0.2074108 -0.0000000), wk = 0.0021882 k( 384) = ( 0.3928571 -0.2122343 -0.0000000), wk = 0.0021882 k( 385) = ( 0.4017857 -0.2170578 -0.0000000), wk = 0.0021882 k( 386) = ( 0.4107143 -0.2218813 -0.0000000), wk = 0.0021882 k( 387) = ( 0.4196429 -0.2267048 -0.0000000), wk = 0.0021882 k( 388) = ( 0.4285714 -0.2315284 -0.0000000), wk = 0.0021882 k( 389) = ( 0.4375000 -0.2363519 -0.0000000), wk = 0.0021882 k( 390) = ( 0.4464286 -0.2411754 -0.0000000), wk = 0.0021882 k( 391) = ( 0.4553571 -0.2459989 -0.0000000), wk = 0.0021882 k( 392) = ( 0.4642857 -0.2508224 -0.0000000), wk = 0.0021882 k( 393) = ( 0.4732143 -0.2556459 -0.0000000), wk = 0.0021882 k( 394) = ( 0.4821429 -0.2604694 -0.0000000), wk = 0.0021882 k( 395) = ( 0.4910714 -0.2652929 -0.0000000), wk = 0.0021882 k( 396) = ( 0.5000000 -0.2701164 -0.0000000), wk = 0.0021882 k( 397) = ( 0.5000000 -0.2701164 0.2199100), wk = 0.0021882 k( 398) = ( 0.4916667 -0.2656145 0.2162449), wk = 0.0021882 k( 399) = ( 0.4833333 -0.2611125 0.2125797), wk = 0.0021882 k( 400) = ( 0.4750000 -0.2566106 0.2089145), wk = 0.0021882 k( 401) = ( 0.4666667 -0.2521086 0.2052494), wk = 0.0021882 k( 402) = ( 0.4583333 -0.2476067 0.2015842), wk = 0.0021882 k( 403) = ( 0.4500000 -0.2431048 0.1979190), wk = 0.0021882 k( 404) = ( 0.4416667 -0.2386028 0.1942539), wk = 0.0021882 k( 405) = ( 0.4333333 -0.2341009 0.1905887), wk = 0.0021882 k( 406) = ( 0.4250000 -0.2295989 0.1869235), wk = 0.0021882 k( 407) = ( 0.4166667 -0.2250970 0.1832584), wk = 0.0021882 k( 408) = ( 0.4083333 -0.2205951 0.1795932), wk = 0.0021882 k( 409) = ( 0.4000000 -0.2160931 0.1759280), wk = 0.0021882 k( 410) = ( 0.3916667 -0.2115912 0.1722629), wk = 0.0021882 k( 411) = ( 0.3833333 -0.2070892 0.1685977), wk = 0.0021882 k( 412) = ( 0.3750000 -0.2025873 0.1649325), wk = 0.0021882 k( 413) = ( 0.3666667 -0.1980854 0.1612674), wk = 0.0021882 k( 414) = ( 0.3583333 -0.1935834 0.1576022), wk = 0.0021882 k( 415) = ( 0.3500000 -0.1890815 0.1539370), wk = 0.0021882 k( 416) = ( 0.3416667 -0.1845795 0.1502719), wk = 0.0021882 k( 417) = ( 0.3333333 -0.1800776 0.1466067), wk = 0.0021882 k( 418) = ( 0.3250000 -0.1755757 0.1429415), wk = 0.0021882 k( 419) = ( 0.3166667 -0.1710737 0.1392764), wk = 0.0021882 k( 420) = ( 0.3083333 -0.1665718 0.1356112), wk = 0.0021882 k( 421) = ( 0.3000000 -0.1620698 0.1319460), wk = 0.0021882 k( 422) = ( 0.2916667 -0.1575679 0.1282809), wk = 0.0021882 k( 423) = ( 0.2833333 -0.1530660 0.1246157), wk = 0.0021882 k( 424) = ( 0.2750000 -0.1485640 0.1209505), wk = 0.0021882 k( 425) = ( 0.2666667 -0.1440621 0.1172854), wk = 0.0021882 k( 426) = ( 0.2583333 -0.1395601 0.1136202), wk = 0.0021882 k( 427) = ( 0.2500000 -0.1350582 0.1099550), wk = 0.0021882 k( 428) = ( 0.2416667 -0.1305563 0.1062899), wk = 0.0021882 k( 429) = ( 0.2333333 -0.1260543 0.1026247), wk = 0.0021882 k( 430) = ( 0.2250000 -0.1215524 0.0989595), wk = 0.0021882 k( 431) = ( 0.2166667 -0.1170504 0.0952943), wk = 0.0021882 k( 432) = ( 0.2083333 -0.1125485 0.0916292), wk = 0.0021882 k( 433) = ( 0.2000000 -0.1080466 0.0879640), wk = 0.0021882 k( 434) = ( 0.1916667 -0.1035446 0.0842988), wk = 0.0021882 k( 435) = ( 0.1833333 -0.0990427 0.0806337), wk = 0.0021882 k( 436) = ( 0.1750000 -0.0945407 0.0769685), wk = 0.0021882 k( 437) = ( 0.1666667 -0.0900388 0.0733033), wk = 0.0021882 k( 438) = ( 0.1583333 -0.0855369 0.0696382), wk = 0.0021882 k( 439) = ( 0.1500000 -0.0810349 0.0659730), wk = 0.0021882 k( 440) = ( 0.1416667 -0.0765330 0.0623078), wk = 0.0021882 k( 441) = ( 0.1333333 -0.0720310 0.0586427), wk = 0.0021882 k( 442) = ( 0.1250000 -0.0675291 0.0549775), wk = 0.0021882 k( 443) = ( 0.1166667 -0.0630272 0.0513123), wk = 0.0021882 k( 444) = ( 0.1083333 -0.0585252 0.0476472), wk = 0.0021882 k( 445) = ( 0.1000000 -0.0540233 0.0439820), wk = 0.0021882 k( 446) = ( 0.0916667 -0.0495213 0.0403168), wk = 0.0021882 k( 447) = ( 0.0833333 -0.0450194 0.0366517), wk = 0.0021882 k( 448) = ( 0.0750000 -0.0405175 0.0329865), wk = 0.0021882 k( 449) = ( 0.0666667 -0.0360155 0.0293213), wk = 0.0021882 k( 450) = ( 0.0583333 -0.0315136 0.0256562), wk = 0.0021882 k( 451) = ( 0.0500000 -0.0270116 0.0219910), wk = 0.0021882 k( 452) = ( 0.0416667 -0.0225097 0.0183258), wk = 0.0021882 k( 453) = ( 0.0333333 -0.0180078 0.0146607), wk = 0.0021882 k( 454) = ( 0.0250000 -0.0135058 0.0109955), wk = 0.0021882 k( 455) = ( 0.0166667 -0.0090039 0.0073303), wk = 0.0021882 k( 456) = ( 0.0083333 -0.0045019 0.0036652), wk = 0.0021882 k( 457) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0021882 k( 3) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0021882 k( 4) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0021882 k( 5) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0021882 k( 6) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0021882 k( 7) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0021882 k( 8) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0021882 k( 9) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0021882 k( 10) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0021882 k( 11) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0021882 k( 12) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0021882 k( 13) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0021882 k( 14) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0021882 k( 15) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0021882 k( 16) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0021882 k( 17) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0021882 k( 18) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0021882 k( 19) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0021882 k( 20) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0021882 k( 21) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0021882 k( 22) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0021882 k( 23) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0021882 k( 24) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0021882 k( 25) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0021882 k( 26) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0021882 k( 27) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0021882 k( 28) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0021882 k( 29) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0021882 k( 30) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0021882 k( 31) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0021882 k( 32) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0021882 k( 33) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0021882 k( 34) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0021882 k( 35) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0021882 k( 36) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0021882 k( 37) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0021882 k( 38) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0021882 k( 39) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0021882 k( 40) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0021882 k( 41) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0021882 k( 42) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0021882 k( 43) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0021882 k( 44) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0021882 k( 45) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0021882 k( 46) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0021882 k( 47) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0021882 k( 48) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0021882 k( 49) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0021882 k( 50) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0021882 k( 51) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0021882 k( 52) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0021882 k( 53) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0021882 k( 54) = ( 0.4568966 0.4568966 -0.0000000), wk = 0.0021882 k( 55) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0021882 k( 56) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0021882 k( 57) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0021882 k( 58) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0021882 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 61) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0021882 k( 62) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0021882 k( 63) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0021882 k( 64) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0021882 k( 65) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0021882 k( 66) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0021882 k( 67) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0021882 k( 68) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0021882 k( 69) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0021882 k( 70) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0021882 k( 71) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021882 k( 72) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0021882 k( 73) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0021882 k( 74) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0021882 k( 75) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0021882 k( 76) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0021882 k( 77) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0021882 k( 78) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0021882 k( 79) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0021882 k( 80) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0021882 k( 81) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0021882 k( 82) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 86) = ( 0.5051964 0.4948036 0.5000000), wk = 0.0021882 k( 87) = ( 0.5103927 0.4896072 0.5000000), wk = 0.0021882 k( 88) = ( 0.5155891 0.4844109 0.5000000), wk = 0.0021882 k( 89) = ( 0.5207855 0.4792145 0.5000000), wk = 0.0021882 k( 90) = ( 0.5259819 0.4740181 0.5000000), wk = 0.0021882 k( 91) = ( 0.5311782 0.4688218 0.5000000), wk = 0.0021882 k( 92) = ( 0.5363746 0.4636254 0.5000000), wk = 0.0021882 k( 93) = ( 0.5415710 0.4584290 0.5000000), wk = 0.0021882 k( 94) = ( 0.5467674 0.4532326 0.5000000), wk = 0.0021882 k( 95) = ( 0.5519637 0.4480363 0.5000000), wk = 0.0021882 k( 96) = ( 0.5571601 0.4428399 0.5000000), wk = 0.0021882 k( 97) = ( 0.5623565 0.4376435 0.5000000), wk = 0.0021882 k( 98) = ( 0.5675529 0.4324471 0.5000000), wk = 0.0021882 k( 99) = ( 0.5727492 0.4272508 0.5000000), wk = 0.0021882 k( 100) = ( 0.5779456 0.4220544 0.5000000), wk = 0.0021882 k( 101) = ( 0.5831420 0.4168580 0.5000000), wk = 0.0021882 k( 102) = ( 0.5883384 0.4116616 0.5000000), wk = 0.0021882 k( 103) = ( 0.5935347 0.4064653 0.5000000), wk = 0.0021882 k( 104) = ( 0.5987311 0.4012689 0.5000000), wk = 0.0021882 k( 105) = ( 0.6039275 0.3960725 0.5000000), wk = 0.0021882 k( 106) = ( 0.6091239 0.3908761 0.5000000), wk = 0.0021882 k( 107) = ( 0.6143202 0.3856798 0.5000000), wk = 0.0021882 k( 108) = ( 0.6195166 0.3804834 0.5000000), wk = 0.0021882 k( 109) = ( 0.6247130 0.3752870 0.5000000), wk = 0.0021882 k( 110) = ( 0.6299094 0.3700906 0.5000000), wk = 0.0021882 k( 111) = ( 0.6351057 0.3648943 0.5000000), wk = 0.0021882 k( 112) = ( 0.6403021 0.3596979 0.5000000), wk = 0.0021882 k( 113) = ( 0.6454985 0.3545015 0.5000000), wk = 0.0021882 k( 114) = ( 0.6506949 0.3493052 0.5000000), wk = 0.0021882 k( 115) = ( 0.6558912 0.3441088 0.5000000), wk = 0.0021882 k( 116) = ( 0.6610876 0.3389124 0.5000000), wk = 0.0021882 k( 117) = ( 0.3389124 -0.3389124 0.5000000), wk = 0.0021882 k( 118) = ( 0.3336984 -0.3336984 0.5000000), wk = 0.0021882 k( 119) = ( 0.3284843 -0.3284843 0.5000000), wk = 0.0021882 k( 120) = ( 0.3232703 -0.3232703 0.5000000), wk = 0.0021882 k( 121) = ( 0.3180562 -0.3180563 0.5000000), wk = 0.0021882 k( 122) = ( 0.3128422 -0.3128422 0.5000000), wk = 0.0021882 k( 123) = ( 0.3076282 -0.3076282 0.5000000), wk = 0.0021882 k( 124) = ( 0.3024141 -0.3024141 0.5000000), wk = 0.0021882 k( 125) = ( 0.2972001 -0.2972001 0.5000000), wk = 0.0021882 k( 126) = ( 0.2919861 -0.2919861 0.5000000), wk = 0.0021882 k( 127) = ( 0.2867720 -0.2867720 0.5000000), wk = 0.0021882 k( 128) = ( 0.2815580 -0.2815580 0.5000000), wk = 0.0021882 k( 129) = ( 0.2763440 -0.2763440 0.5000000), wk = 0.0021882 k( 130) = ( 0.2711299 -0.2711299 0.5000000), wk = 0.0021882 k( 131) = ( 0.2659159 -0.2659159 0.5000000), wk = 0.0021882 k( 132) = ( 0.2607018 -0.2607018 0.5000000), wk = 0.0021882 k( 133) = ( 0.2554878 -0.2554878 0.5000000), wk = 0.0021882 k( 134) = ( 0.2502738 -0.2502738 0.5000000), wk = 0.0021882 k( 135) = ( 0.2450597 -0.2450597 0.5000000), wk = 0.0021882 k( 136) = ( 0.2398457 -0.2398457 0.5000000), wk = 0.0021882 k( 137) = ( 0.2346317 -0.2346317 0.5000000), wk = 0.0021882 k( 138) = ( 0.2294176 -0.2294176 0.5000000), wk = 0.0021882 k( 139) = ( 0.2242036 -0.2242036 0.5000000), wk = 0.0021882 k( 140) = ( 0.2189896 -0.2189895 0.5000000), wk = 0.0021882 k( 141) = ( 0.2137755 -0.2137755 0.5000000), wk = 0.0021882 k( 142) = ( 0.2085615 -0.2085615 0.5000000), wk = 0.0021882 k( 143) = ( 0.2033474 -0.2033474 0.5000000), wk = 0.0021882 k( 144) = ( 0.1981334 -0.1981334 0.5000000), wk = 0.0021882 k( 145) = ( 0.1929194 -0.1929194 0.5000000), wk = 0.0021882 k( 146) = ( 0.1877053 -0.1877053 0.5000000), wk = 0.0021882 k( 147) = ( 0.1824913 -0.1824913 0.5000000), wk = 0.0021882 k( 148) = ( 0.1772772 -0.1772772 0.5000000), wk = 0.0021882 k( 149) = ( 0.1720632 -0.1720632 0.5000000), wk = 0.0021882 k( 150) = ( 0.1668492 -0.1668492 0.5000000), wk = 0.0021882 k( 151) = ( 0.1616351 -0.1616351 0.5000000), wk = 0.0021882 k( 152) = ( 0.1564211 -0.1564211 0.5000000), wk = 0.0021882 k( 153) = ( 0.1512071 -0.1512071 0.5000000), wk = 0.0021882 k( 154) = ( 0.1459930 -0.1459930 0.5000000), wk = 0.0021882 k( 155) = ( 0.1407790 -0.1407790 0.5000000), wk = 0.0021882 k( 156) = ( 0.1355650 -0.1355650 0.5000000), wk = 0.0021882 k( 157) = ( 0.1303509 -0.1303509 0.5000000), wk = 0.0021882 k( 158) = ( 0.1251369 -0.1251369 0.5000000), wk = 0.0021882 k( 159) = ( 0.1199228 -0.1199228 0.5000000), wk = 0.0021882 k( 160) = ( 0.1147088 -0.1147088 0.5000000), wk = 0.0021882 k( 161) = ( 0.1094948 -0.1094948 0.5000000), wk = 0.0021882 k( 162) = ( 0.1042807 -0.1042807 0.5000000), wk = 0.0021882 k( 163) = ( 0.0990667 -0.0990667 0.5000000), wk = 0.0021882 k( 164) = ( 0.0938527 -0.0938527 0.5000000), wk = 0.0021882 k( 165) = ( 0.0886386 -0.0886386 0.5000000), wk = 0.0021882 k( 166) = ( 0.0834246 -0.0834246 0.5000000), wk = 0.0021882 k( 167) = ( 0.0782106 -0.0782105 0.5000000), wk = 0.0021882 k( 168) = ( 0.0729965 -0.0729965 0.5000000), wk = 0.0021882 k( 169) = ( 0.0677825 -0.0677825 0.5000000), wk = 0.0021882 k( 170) = ( 0.0625684 -0.0625684 0.5000000), wk = 0.0021882 k( 171) = ( 0.0573544 -0.0573544 0.5000000), wk = 0.0021882 k( 172) = ( 0.0521404 -0.0521404 0.5000000), wk = 0.0021882 k( 173) = ( 0.0469263 -0.0469263 0.5000000), wk = 0.0021882 k( 174) = ( 0.0417123 -0.0417123 0.5000000), wk = 0.0021882 k( 175) = ( 0.0364983 -0.0364983 0.5000000), wk = 0.0021882 k( 176) = ( 0.0312842 -0.0312842 0.5000000), wk = 0.0021882 k( 177) = ( 0.0260702 -0.0260702 0.5000000), wk = 0.0021882 k( 178) = ( 0.0208562 -0.0208562 0.5000000), wk = 0.0021882 k( 179) = ( 0.0156421 -0.0156421 0.5000000), wk = 0.0021882 k( 180) = ( 0.0104281 -0.0104281 0.5000000), wk = 0.0021882 k( 181) = ( 0.0052140 -0.0052140 0.5000000), wk = 0.0021882 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 184) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0021882 k( 185) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0021882 k( 186) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0021882 k( 187) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0021882 k( 188) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0021882 k( 189) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0021882 k( 190) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0021882 k( 191) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0021882 k( 192) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0021882 k( 193) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0021882 k( 194) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0021882 k( 195) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0021882 k( 196) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0021882 k( 197) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0021882 k( 198) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0021882 k( 199) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0021882 k( 200) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0021882 k( 201) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0021882 k( 202) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0021882 k( 203) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0021882 k( 204) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0021882 k( 205) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0021882 k( 206) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0021882 k( 207) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0021882 k( 208) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0021882 k( 209) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0021882 k( 210) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0021882 k( 211) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0021882 k( 212) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021882 k( 213) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0021882 k( 214) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0021882 k( 215) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0021882 k( 216) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0021882 k( 217) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0021882 k( 218) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0021882 k( 219) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0021882 k( 220) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0021882 k( 221) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0021882 k( 222) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0021882 k( 223) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0021882 k( 224) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0021882 k( 225) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0021882 k( 226) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0021882 k( 227) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0021882 k( 228) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0021882 k( 229) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0021882 k( 230) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0021882 k( 231) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0021882 k( 232) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0021882 k( 233) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0021882 k( 234) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0021882 k( 235) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0021882 k( 236) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0021882 k( 237) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0021882 k( 238) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0021882 k( 239) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0021882 k( 240) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0021882 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 242) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 243) = ( 0.5051964 0.4948036 -0.0000000), wk = 0.0021882 k( 244) = ( 0.5103927 0.4896072 -0.0000000), wk = 0.0021882 k( 245) = ( 0.5155891 0.4844109 -0.0000000), wk = 0.0021882 k( 246) = ( 0.5207855 0.4792145 -0.0000000), wk = 0.0021882 k( 247) = ( 0.5259819 0.4740181 -0.0000000), wk = 0.0021882 k( 248) = ( 0.5311782 0.4688218 -0.0000000), wk = 0.0021882 k( 249) = ( 0.5363746 0.4636254 -0.0000000), wk = 0.0021882 k( 250) = ( 0.5415710 0.4584290 -0.0000000), wk = 0.0021882 k( 251) = ( 0.5467674 0.4532326 -0.0000000), wk = 0.0021882 k( 252) = ( 0.5519637 0.4480363 -0.0000000), wk = 0.0021882 k( 253) = ( 0.5571601 0.4428399 -0.0000000), wk = 0.0021882 k( 254) = ( 0.5623565 0.4376435 -0.0000000), wk = 0.0021882 k( 255) = ( 0.5675529 0.4324471 -0.0000000), wk = 0.0021882 k( 256) = ( 0.5727492 0.4272508 -0.0000000), wk = 0.0021882 k( 257) = ( 0.5779456 0.4220544 -0.0000000), wk = 0.0021882 k( 258) = ( 0.5831420 0.4168580 -0.0000000), wk = 0.0021882 k( 259) = ( 0.5883384 0.4116616 -0.0000000), wk = 0.0021882 k( 260) = ( 0.5935347 0.4064653 -0.0000000), wk = 0.0021882 k( 261) = ( 0.5987311 0.4012689 -0.0000000), wk = 0.0021882 k( 262) = ( 0.6039275 0.3960725 -0.0000000), wk = 0.0021882 k( 263) = ( 0.6091239 0.3908761 -0.0000000), wk = 0.0021882 k( 264) = ( 0.6143202 0.3856798 -0.0000000), wk = 0.0021882 k( 265) = ( 0.6195166 0.3804834 -0.0000000), wk = 0.0021882 k( 266) = ( 0.6247130 0.3752870 -0.0000000), wk = 0.0021882 k( 267) = ( 0.6299094 0.3700906 -0.0000000), wk = 0.0021882 k( 268) = ( 0.6351057 0.3648943 -0.0000000), wk = 0.0021882 k( 269) = ( 0.6403021 0.3596979 -0.0000000), wk = 0.0021882 k( 270) = ( 0.6454985 0.3545015 -0.0000000), wk = 0.0021882 k( 271) = ( 0.6506949 0.3493052 -0.0000000), wk = 0.0021882 k( 272) = ( 0.6558912 0.3441088 -0.0000000), wk = 0.0021882 k( 273) = ( 0.6610876 0.3389124 -0.0000000), wk = 0.0021882 k( 274) = ( 0.3389124 -0.3389124 0.0000000), wk = 0.0021882 k( 275) = ( 0.3336984 -0.3336984 -0.0000000), wk = 0.0021882 k( 276) = ( 0.3284843 -0.3284843 -0.0000000), wk = 0.0021882 k( 277) = ( 0.3232703 -0.3232703 -0.0000000), wk = 0.0021882 k( 278) = ( 0.3180562 -0.3180563 -0.0000000), wk = 0.0021882 k( 279) = ( 0.3128422 -0.3128422 0.0000000), wk = 0.0021882 k( 280) = ( 0.3076282 -0.3076282 -0.0000000), wk = 0.0021882 k( 281) = ( 0.3024141 -0.3024141 -0.0000000), wk = 0.0021882 k( 282) = ( 0.2972001 -0.2972001 -0.0000000), wk = 0.0021882 k( 283) = ( 0.2919861 -0.2919861 0.0000000), wk = 0.0021882 k( 284) = ( 0.2867720 -0.2867720 -0.0000000), wk = 0.0021882 k( 285) = ( 0.2815580 -0.2815580 -0.0000000), wk = 0.0021882 k( 286) = ( 0.2763440 -0.2763440 -0.0000000), wk = 0.0021882 k( 287) = ( 0.2711299 -0.2711299 0.0000000), wk = 0.0021882 k( 288) = ( 0.2659159 -0.2659159 -0.0000000), wk = 0.0021882 k( 289) = ( 0.2607018 -0.2607018 -0.0000000), wk = 0.0021882 k( 290) = ( 0.2554878 -0.2554878 0.0000000), wk = 0.0021882 k( 291) = ( 0.2502738 -0.2502738 -0.0000000), wk = 0.0021882 k( 292) = ( 0.2450597 -0.2450597 -0.0000000), wk = 0.0021882 k( 293) = ( 0.2398457 -0.2398457 -0.0000000), wk = 0.0021882 k( 294) = ( 0.2346317 -0.2346317 -0.0000000), wk = 0.0021882 k( 295) = ( 0.2294176 -0.2294176 -0.0000000), wk = 0.0021882 k( 296) = ( 0.2242036 -0.2242036 -0.0000000), wk = 0.0021882 k( 297) = ( 0.2189896 -0.2189895 0.0000000), wk = 0.0021882 k( 298) = ( 0.2137755 -0.2137755 -0.0000000), wk = 0.0021882 k( 299) = ( 0.2085615 -0.2085615 -0.0000000), wk = 0.0021882 k( 300) = ( 0.2033474 -0.2033474 -0.0000000), wk = 0.0021882 k( 301) = ( 0.1981334 -0.1981334 -0.0000000), wk = 0.0021882 k( 302) = ( 0.1929194 -0.1929194 -0.0000000), wk = 0.0021882 k( 303) = ( 0.1877053 -0.1877053 -0.0000000), wk = 0.0021882 k( 304) = ( 0.1824913 -0.1824913 -0.0000000), wk = 0.0021882 k( 305) = ( 0.1772772 -0.1772772 -0.0000000), wk = 0.0021882 k( 306) = ( 0.1720632 -0.1720632 -0.0000000), wk = 0.0021882 k( 307) = ( 0.1668492 -0.1668492 -0.0000000), wk = 0.0021882 k( 308) = ( 0.1616351 -0.1616351 -0.0000000), wk = 0.0021882 k( 309) = ( 0.1564211 -0.1564211 -0.0000000), wk = 0.0021882 k( 310) = ( 0.1512071 -0.1512071 -0.0000000), wk = 0.0021882 k( 311) = ( 0.1459930 -0.1459930 0.0000000), wk = 0.0021882 k( 312) = ( 0.1407790 -0.1407790 0.0000000), wk = 0.0021882 k( 313) = ( 0.1355650 -0.1355650 0.0000000), wk = 0.0021882 k( 314) = ( 0.1303509 -0.1303509 -0.0000000), wk = 0.0021882 k( 315) = ( 0.1251369 -0.1251369 -0.0000000), wk = 0.0021882 k( 316) = ( 0.1199228 -0.1199228 -0.0000000), wk = 0.0021882 k( 317) = ( 0.1147088 -0.1147088 -0.0000000), wk = 0.0021882 k( 318) = ( 0.1094948 -0.1094948 -0.0000000), wk = 0.0021882 k( 319) = ( 0.1042807 -0.1042807 0.0000000), wk = 0.0021882 k( 320) = ( 0.0990667 -0.0990667 -0.0000000), wk = 0.0021882 k( 321) = ( 0.0938527 -0.0938527 -0.0000000), wk = 0.0021882 k( 322) = ( 0.0886386 -0.0886386 -0.0000000), wk = 0.0021882 k( 323) = ( 0.0834246 -0.0834246 -0.0000000), wk = 0.0021882 k( 324) = ( 0.0782106 -0.0782105 -0.0000000), wk = 0.0021882 k( 325) = ( 0.0729965 -0.0729965 -0.0000000), wk = 0.0021882 k( 326) = ( 0.0677825 -0.0677825 0.0000000), wk = 0.0021882 k( 327) = ( 0.0625684 -0.0625684 -0.0000000), wk = 0.0021882 k( 328) = ( 0.0573544 -0.0573544 -0.0000000), wk = 0.0021882 k( 329) = ( 0.0521404 -0.0521404 0.0000000), wk = 0.0021882 k( 330) = ( 0.0469263 -0.0469263 -0.0000000), wk = 0.0021882 k( 331) = ( 0.0417123 -0.0417123 -0.0000000), wk = 0.0021882 k( 332) = ( 0.0364983 -0.0364983 -0.0000000), wk = 0.0021882 k( 333) = ( 0.0312842 -0.0312842 -0.0000000), wk = 0.0021882 k( 334) = ( 0.0260702 -0.0260702 0.0000000), wk = 0.0021882 k( 335) = ( 0.0208562 -0.0208562 0.0000000), wk = 0.0021882 k( 336) = ( 0.0156421 -0.0156421 -0.0000000), wk = 0.0021882 k( 337) = ( 0.0104281 -0.0104281 -0.0000000), wk = 0.0021882 k( 338) = ( 0.0052140 -0.0052140 -0.0000000), wk = 0.0021882 k( 339) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 340) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 341) = ( 0.0089286 0.0000000 -0.0000000), wk = 0.0021882 k( 342) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0021882 k( 343) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0021882 k( 344) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0021882 k( 345) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0021882 k( 346) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0021882 k( 347) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0021882 k( 348) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0021882 k( 349) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0021882 k( 350) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0021882 k( 351) = ( 0.0982143 0.0000000 -0.0000000), wk = 0.0021882 k( 352) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0021882 k( 353) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0021882 k( 354) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0021882 k( 355) = ( 0.1339286 0.0000000 -0.0000000), wk = 0.0021882 k( 356) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0021882 k( 357) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0021882 k( 358) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0021882 k( 359) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0021882 k( 360) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0021882 k( 361) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0021882 k( 362) = ( 0.1964286 0.0000000 -0.0000000), wk = 0.0021882 k( 363) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0021882 k( 364) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0021882 k( 365) = ( 0.2232143 0.0000000 -0.0000000), wk = 0.0021882 k( 366) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0021882 k( 367) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0021882 k( 368) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0021882 k( 369) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0021882 k( 370) = ( 0.2678571 0.0000000 -0.0000000), wk = 0.0021882 k( 371) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0021882 k( 372) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0021882 k( 373) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0021882 k( 374) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0021882 k( 375) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0021882 k( 376) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0021882 k( 377) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0021882 k( 378) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0021882 k( 379) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0021882 k( 380) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0021882 k( 381) = ( 0.3660714 0.0000000 -0.0000000), wk = 0.0021882 k( 382) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0021882 k( 383) = ( 0.3839286 0.0000000 -0.0000000), wk = 0.0021882 k( 384) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0021882 k( 385) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0021882 k( 386) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0021882 k( 387) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0021882 k( 388) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0021882 k( 389) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0021882 k( 390) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0021882 k( 391) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0021882 k( 392) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0021882 k( 393) = ( 0.4732143 0.0000000 -0.0000000), wk = 0.0021882 k( 394) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0021882 k( 395) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0021882 k( 396) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021882 k( 397) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021882 k( 398) = ( 0.4916667 -0.0000000 0.4916667), wk = 0.0021882 k( 399) = ( 0.4833333 -0.0000000 0.4833333), wk = 0.0021882 k( 400) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0021882 k( 401) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0021882 k( 402) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0021882 k( 403) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0021882 k( 404) = ( 0.4416667 -0.0000000 0.4416667), wk = 0.0021882 k( 405) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0021882 k( 406) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0021882 k( 407) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0021882 k( 408) = ( 0.4083333 0.0000000 0.4083333), wk = 0.0021882 k( 409) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0021882 k( 410) = ( 0.3916667 0.0000000 0.3916667), wk = 0.0021882 k( 411) = ( 0.3833333 0.0000000 0.3833333), wk = 0.0021882 k( 412) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0021882 k( 413) = ( 0.3666667 -0.0000000 0.3666667), wk = 0.0021882 k( 414) = ( 0.3583333 -0.0000000 0.3583333), wk = 0.0021882 k( 415) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0021882 k( 416) = ( 0.3416667 -0.0000000 0.3416667), wk = 0.0021882 k( 417) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0021882 k( 418) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0021882 k( 419) = ( 0.3166667 -0.0000000 0.3166667), wk = 0.0021882 k( 420) = ( 0.3083333 -0.0000000 0.3083333), wk = 0.0021882 k( 421) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0021882 k( 422) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0021882 k( 423) = ( 0.2833333 -0.0000000 0.2833333), wk = 0.0021882 k( 424) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0021882 k( 425) = ( 0.2666667 -0.0000000 0.2666667), wk = 0.0021882 k( 426) = ( 0.2583333 0.0000000 0.2583333), wk = 0.0021882 k( 427) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0021882 k( 428) = ( 0.2416667 0.0000000 0.2416667), wk = 0.0021882 k( 429) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0021882 k( 430) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0021882 k( 431) = ( 0.2166667 -0.0000000 0.2166667), wk = 0.0021882 k( 432) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0021882 k( 433) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0021882 k( 434) = ( 0.1916667 -0.0000000 0.1916667), wk = 0.0021882 k( 435) = ( 0.1833333 -0.0000000 0.1833333), wk = 0.0021882 k( 436) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0021882 k( 437) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0021882 k( 438) = ( 0.1583333 0.0000000 0.1583333), wk = 0.0021882 k( 439) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0021882 k( 440) = ( 0.1416667 -0.0000000 0.1416667), wk = 0.0021882 k( 441) = ( 0.1333333 -0.0000000 0.1333333), wk = 0.0021882 k( 442) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0021882 k( 443) = ( 0.1166667 0.0000000 0.1166667), wk = 0.0021882 k( 444) = ( 0.1083333 0.0000000 0.1083333), wk = 0.0021882 k( 445) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0021882 k( 446) = ( 0.0916667 -0.0000000 0.0916667), wk = 0.0021882 k( 447) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0021882 k( 448) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0021882 k( 449) = ( 0.0666667 -0.0000000 0.0666667), wk = 0.0021882 k( 450) = ( 0.0583333 0.0000000 0.0583333), wk = 0.0021882 k( 451) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0021882 k( 452) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0021882 k( 453) = ( 0.0333333 -0.0000000 0.0333333), wk = 0.0021882 k( 454) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0021882 k( 455) = ( 0.0166667 0.0000000 0.0166667), wk = 0.0021882 k( 456) = ( 0.0083333 -0.0000000 0.0083333), wk = 0.0021882 k( 457) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 Dense grid: 42301 G-vectors FFT dimensions: ( 36, 36, 80) Smooth grid: 21123 G-vectors FFT dimensions: ( 27, 27, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 164, 36) NL pseudopotentials 0.07 Mb ( 82, 56) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1179) G-vector shells 0.00 Mb ( 601) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 164, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.06 Mb ( 56, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./F2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.1 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.4 secs Computing kpt #: 6 total cpu time spent up to now is 1.5 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.2 secs Computing kpt #: 12 total cpu time spent up to now is 2.3 secs Computing kpt #: 13 total cpu time spent up to now is 2.4 secs Computing kpt #: 14 total cpu time spent up to now is 2.6 secs Computing kpt #: 15 total cpu time spent up to now is 2.7 secs Computing kpt #: 16 total cpu time spent up to now is 2.8 secs Computing kpt #: 17 total cpu time spent up to now is 2.9 secs Computing kpt #: 18 total cpu time spent up to now is 3.1 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.3 secs Computing kpt #: 21 total cpu time spent up to now is 3.5 secs Computing kpt #: 22 total cpu time spent up to now is 3.6 secs Computing kpt #: 23 total cpu time spent up to now is 3.7 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.4 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.7 secs Computing kpt #: 31 total cpu time spent up to now is 4.8 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.6 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.4 secs Computing kpt #: 43 total cpu time spent up to now is 6.6 secs Computing kpt #: 44 total cpu time spent up to now is 6.7 secs Computing kpt #: 45 total cpu time spent up to now is 6.9 secs Computing kpt #: 46 total cpu time spent up to now is 7.0 secs Computing kpt #: 47 total cpu time spent up to now is 7.2 secs Computing kpt #: 48 total cpu time spent up to now is 7.3 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.6 secs Computing kpt #: 51 total cpu time spent up to now is 7.7 secs Computing kpt #: 52 total cpu time spent up to now is 7.9 secs Computing kpt #: 53 total cpu time spent up to now is 8.0 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.3 secs Computing kpt #: 56 total cpu time spent up to now is 8.5 secs Computing kpt #: 57 total cpu time spent up to now is 8.7 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.3 secs Computing kpt #: 62 total cpu time spent up to now is 9.4 secs Computing kpt #: 63 total cpu time spent up to now is 9.6 secs Computing kpt #: 64 total cpu time spent up to now is 9.7 secs Computing kpt #: 65 total cpu time spent up to now is 9.9 secs Computing kpt #: 66 total cpu time spent up to now is 10.1 secs Computing kpt #: 67 total cpu time spent up to now is 10.2 secs Computing kpt #: 68 total cpu time spent up to now is 10.4 secs Computing kpt #: 69 total cpu time spent up to now is 10.5 secs Computing kpt #: 70 total cpu time spent up to now is 10.7 secs Computing kpt #: 71 total cpu time spent up to now is 10.8 secs Computing kpt #: 72 total cpu time spent up to now is 11.0 secs Computing kpt #: 73 total cpu time spent up to now is 11.1 secs Computing kpt #: 74 total cpu time spent up to now is 11.3 secs Computing kpt #: 75 total cpu time spent up to now is 11.4 secs Computing kpt #: 76 total cpu time spent up to now is 11.6 secs Computing kpt #: 77 total cpu time spent up to now is 11.7 secs Computing kpt #: 78 total cpu time spent up to now is 11.9 secs Computing kpt #: 79 total cpu time spent up to now is 12.0 secs Computing kpt #: 80 total cpu time spent up to now is 12.1 secs Computing kpt #: 81 total cpu time spent up to now is 12.3 secs Computing kpt #: 82 total cpu time spent up to now is 12.4 secs Computing kpt #: 83 total cpu time spent up to now is 12.6 secs Computing kpt #: 84 total cpu time spent up to now is 12.7 secs Computing kpt #: 85 total cpu time spent up to now is 12.9 secs Computing kpt #: 86 total cpu time spent up to now is 13.0 secs Computing kpt #: 87 total cpu time spent up to now is 13.2 secs Computing kpt #: 88 total cpu time spent up to now is 13.3 secs Computing kpt #: 89 total cpu time spent up to now is 13.5 secs Computing kpt #: 90 total cpu time spent up to now is 13.6 secs Computing kpt #: 91 total cpu time spent up to now is 13.8 secs Computing kpt #: 92 total cpu time spent up to now is 14.0 secs Computing kpt #: 93 total cpu time spent up to now is 14.2 secs Computing kpt #: 94 total cpu time spent up to now is 14.3 secs Computing kpt #: 95 total cpu time spent up to now is 14.5 secs Computing kpt #: 96 total cpu time spent up to now is 14.6 secs Computing kpt #: 97 total cpu time spent up to now is 14.8 secs Computing kpt #: 98 total cpu time spent up to now is 14.9 secs Computing kpt #: 99 total cpu time spent up to now is 15.1 secs Computing kpt #: 100 total cpu time spent up to now is 15.2 secs Computing kpt #: 101 total cpu time spent up to now is 15.4 secs Computing kpt #: 102 total cpu time spent up to now is 15.5 secs Computing kpt #: 103 total cpu time spent up to now is 15.7 secs Computing kpt #: 104 total cpu time spent up to now is 15.8 secs Computing kpt #: 105 total cpu time spent up to now is 16.0 secs Computing kpt #: 106 total cpu time spent up to now is 16.1 secs Computing kpt #: 107 total cpu time spent up to now is 16.3 secs Computing kpt #: 108 total cpu time spent up to now is 16.4 secs Computing kpt #: 109 total cpu time spent up to now is 16.6 secs Computing kpt #: 110 total cpu time spent up to now is 16.7 secs Computing kpt #: 111 total cpu time spent up to now is 16.9 secs Computing kpt #: 112 total cpu time spent up to now is 17.0 secs Computing kpt #: 113 total cpu time spent up to now is 17.2 secs Computing kpt #: 114 total cpu time spent up to now is 17.4 secs Computing kpt #: 115 total cpu time spent up to now is 17.5 secs Computing kpt #: 116 total cpu time spent up to now is 17.7 secs Computing kpt #: 117 total cpu time spent up to now is 17.8 secs Computing kpt #: 118 total cpu time spent up to now is 18.0 secs Computing kpt #: 119 total cpu time spent up to now is 18.2 secs Computing kpt #: 120 total cpu time spent up to now is 18.3 secs Computing kpt #: 121 total cpu time spent up to now is 18.5 secs Computing kpt #: 122 total cpu time spent up to now is 18.6 secs Computing kpt #: 123 total cpu time spent up to now is 18.8 secs Computing kpt #: 124 total cpu time spent up to now is 19.0 secs Computing kpt #: 125 total cpu time spent up to now is 19.1 secs Computing kpt #: 126 total cpu time spent up to now is 19.3 secs Computing kpt #: 127 total cpu time spent up to now is 19.4 secs Computing kpt #: 128 total cpu time spent up to now is 19.8 secs Computing kpt #: 129 total cpu time spent up to now is 19.9 secs Computing kpt #: 130 total cpu time spent up to now is 20.1 secs Computing kpt #: 131 total cpu time spent up to now is 20.2 secs Computing kpt #: 132 total cpu time spent up to now is 20.3 secs Computing kpt #: 133 total cpu time spent up to now is 20.5 secs Computing kpt #: 134 total cpu time spent up to now is 20.6 secs Computing kpt #: 135 total cpu time spent up to now is 20.8 secs Computing kpt #: 136 total cpu time spent up to now is 20.9 secs Computing kpt #: 137 total cpu time spent up to now is 21.1 secs Computing kpt #: 138 total cpu time spent up to now is 21.2 secs Computing kpt #: 139 total cpu time spent up to now is 21.3 secs Computing kpt #: 140 total cpu time spent up to now is 21.5 secs Computing kpt #: 141 total cpu time spent up to now is 21.6 secs Computing kpt #: 142 total cpu time spent up to now is 21.7 secs Computing kpt #: 143 total cpu time spent up to now is 21.9 secs Computing kpt #: 144 total cpu time spent up to now is 22.0 secs Computing kpt #: 145 total cpu time spent up to now is 22.1 secs Computing kpt #: 146 total cpu time spent up to now is 22.2 secs Computing kpt #: 147 total cpu time spent up to now is 22.4 secs Computing kpt #: 148 total cpu time spent up to now is 22.5 secs Computing kpt #: 149 total cpu time spent up to now is 22.6 secs Computing kpt #: 150 total cpu time spent up to now is 22.7 secs Computing kpt #: 151 total cpu time spent up to now is 22.9 secs Computing kpt #: 152 total cpu time spent up to now is 23.0 secs Computing kpt #: 153 total cpu time spent up to now is 23.1 secs Computing kpt #: 154 total cpu time spent up to now is 23.2 secs Computing kpt #: 155 total cpu time spent up to now is 23.4 secs Computing kpt #: 156 total cpu time spent up to now is 23.5 secs Computing kpt #: 157 total cpu time spent up to now is 23.6 secs Computing kpt #: 158 total cpu time spent up to now is 23.7 secs Computing kpt #: 159 total cpu time spent up to now is 23.9 secs Computing kpt #: 160 total cpu time spent up to now is 24.0 secs Computing kpt #: 161 total cpu time spent up to now is 24.1 secs Computing kpt #: 162 total cpu time spent up to now is 24.2 secs Computing kpt #: 163 total cpu time spent up to now is 24.3 secs Computing kpt #: 164 total cpu time spent up to now is 24.5 secs Computing kpt #: 165 total cpu time spent up to now is 24.6 secs Computing kpt #: 166 total cpu time spent up to now is 24.7 secs Computing kpt #: 167 total cpu time spent up to now is 24.8 secs Computing kpt #: 168 total cpu time spent up to now is 25.0 secs Computing kpt #: 169 total cpu time spent up to now is 25.1 secs Computing kpt #: 170 total cpu time spent up to now is 25.2 secs Computing kpt #: 171 total cpu time spent up to now is 25.3 secs Computing kpt #: 172 total cpu time spent up to now is 25.4 secs Computing kpt #: 173 total cpu time spent up to now is 25.6 secs Computing kpt #: 174 total cpu time spent up to now is 25.7 secs Computing kpt #: 175 total cpu time spent up to now is 25.8 secs Computing kpt #: 176 total cpu time spent up to now is 25.9 secs Computing kpt #: 177 total cpu time spent up to now is 26.0 secs Computing kpt #: 178 total cpu time spent up to now is 26.2 secs Computing kpt #: 179 total cpu time spent up to now is 26.3 secs Computing kpt #: 180 total cpu time spent up to now is 26.4 secs Computing kpt #: 181 total cpu time spent up to now is 26.5 secs Computing kpt #: 182 total cpu time spent up to now is 26.6 secs Computing kpt #: 183 total cpu time spent up to now is 26.7 secs Computing kpt #: 184 total cpu time spent up to now is 26.9 secs Computing kpt #: 185 total cpu time spent up to now is 27.0 secs Computing kpt #: 186 total cpu time spent up to now is 27.1 secs Computing kpt #: 187 total cpu time spent up to now is 27.2 secs Computing kpt #: 188 total cpu time spent up to now is 27.4 secs Computing kpt #: 189 total cpu time spent up to now is 27.5 secs Computing kpt #: 190 total cpu time spent up to now is 27.6 secs Computing kpt #: 191 total cpu time spent up to now is 27.7 secs Computing kpt #: 192 total cpu time spent up to now is 27.8 secs Computing kpt #: 193 total cpu time spent up to now is 28.0 secs Computing kpt #: 194 total cpu time spent up to now is 28.1 secs Computing kpt #: 195 total cpu time spent up to now is 28.2 secs Computing kpt #: 196 total cpu time spent up to now is 28.3 secs Computing kpt #: 197 total cpu time spent up to now is 28.4 secs Computing kpt #: 198 total cpu time spent up to now is 28.6 secs Computing kpt #: 199 total cpu time spent up to now is 28.7 secs Computing kpt #: 200 total cpu time spent up to now is 28.8 secs Computing kpt #: 201 total cpu time spent up to now is 28.9 secs Computing kpt #: 202 total cpu time spent up to now is 29.0 secs Computing kpt #: 203 total cpu time spent up to now is 29.2 secs Computing kpt #: 204 total cpu time spent up to now is 29.3 secs Computing kpt #: 205 total cpu time spent up to now is 29.4 secs Computing kpt #: 206 total cpu time spent up to now is 29.5 secs Computing kpt #: 207 total cpu time spent up to now is 29.7 secs Computing kpt #: 208 total cpu time spent up to now is 29.8 secs Computing kpt #: 209 total cpu time spent up to now is 29.9 secs Computing kpt #: 210 total cpu time spent up to now is 30.0 secs Computing kpt #: 211 total cpu time spent up to now is 30.2 secs Computing kpt #: 212 total cpu time spent up to now is 30.3 secs Computing kpt #: 213 total cpu time spent up to now is 30.4 secs Computing kpt #: 214 total cpu time spent up to now is 30.5 secs Computing kpt #: 215 total cpu time spent up to now is 30.7 secs Computing kpt #: 216 total cpu time spent up to now is 30.8 secs Computing kpt #: 217 total cpu time spent up to now is 30.9 secs Computing kpt #: 218 total cpu time spent up to now is 31.1 secs Computing kpt #: 219 total cpu time spent up to now is 31.2 secs Computing kpt #: 220 total cpu time spent up to now is 31.3 secs Computing kpt #: 221 total cpu time spent up to now is 31.5 secs Computing kpt #: 222 total cpu time spent up to now is 31.6 secs Computing kpt #: 223 total cpu time spent up to now is 31.7 secs Computing kpt #: 224 total cpu time spent up to now is 31.9 secs Computing kpt #: 225 total cpu time spent up to now is 32.0 secs Computing kpt #: 226 total cpu time spent up to now is 32.1 secs Computing kpt #: 227 total cpu time spent up to now is 32.3 secs Computing kpt #: 228 total cpu time spent up to now is 32.4 secs Computing kpt #: 229 total cpu time spent up to now is 32.6 secs Computing kpt #: 230 total cpu time spent up to now is 32.7 secs Computing kpt #: 231 total cpu time spent up to now is 32.8 secs Computing kpt #: 232 total cpu time spent up to now is 33.0 secs Computing kpt #: 233 total cpu time spent up to now is 33.1 secs Computing kpt #: 234 total cpu time spent up to now is 33.3 secs Computing kpt #: 235 total cpu time spent up to now is 33.4 secs Computing kpt #: 236 total cpu time spent up to now is 33.6 secs Computing kpt #: 237 total cpu time spent up to now is 33.7 secs Computing kpt #: 238 total cpu time spent up to now is 33.9 secs Computing kpt #: 239 total cpu time spent up to now is 34.0 secs Computing kpt #: 240 total cpu time spent up to now is 34.2 secs Computing kpt #: 241 total cpu time spent up to now is 34.3 secs Computing kpt #: 242 total cpu time spent up to now is 34.5 secs Computing kpt #: 243 total cpu time spent up to now is 34.6 secs Computing kpt #: 244 total cpu time spent up to now is 34.8 secs Computing kpt #: 245 total cpu time spent up to now is 34.9 secs Computing kpt #: 246 total cpu time spent up to now is 35.1 secs Computing kpt #: 247 total cpu time spent up to now is 35.2 secs Computing kpt #: 248 total cpu time spent up to now is 35.4 secs Computing kpt #: 249 total cpu time spent up to now is 35.6 secs Computing kpt #: 250 total cpu time spent up to now is 35.7 secs Computing kpt #: 251 total cpu time spent up to now is 35.9 secs Computing kpt #: 252 total cpu time spent up to now is 36.0 secs Computing kpt #: 253 total cpu time spent up to now is 36.2 secs Computing kpt #: 254 total cpu time spent up to now is 36.3 secs Computing kpt #: 255 total cpu time spent up to now is 36.5 secs Computing kpt #: 256 total cpu time spent up to now is 36.7 secs Computing kpt #: 257 total cpu time spent up to now is 36.8 secs Computing kpt #: 258 total cpu time spent up to now is 37.0 secs Computing kpt #: 259 total cpu time spent up to now is 37.1 secs Computing kpt #: 260 total cpu time spent up to now is 37.3 secs Computing kpt #: 261 total cpu time spent up to now is 37.5 secs Computing kpt #: 262 total cpu time spent up to now is 37.6 secs Computing kpt #: 263 total cpu time spent up to now is 37.8 secs Computing kpt #: 264 total cpu time spent up to now is 37.9 secs Computing kpt #: 265 total cpu time spent up to now is 38.1 secs Computing kpt #: 266 total cpu time spent up to now is 38.2 secs Computing kpt #: 267 total cpu time spent up to now is 38.4 secs Computing kpt #: 268 total cpu time spent up to now is 38.6 secs Computing kpt #: 269 total cpu time spent up to now is 38.7 secs Computing kpt #: 270 total cpu time spent up to now is 38.9 secs Computing kpt #: 271 total cpu time spent up to now is 39.0 secs Computing kpt #: 272 total cpu time spent up to now is 39.2 secs Computing kpt #: 273 total cpu time spent up to now is 39.4 secs Computing kpt #: 274 total cpu time spent up to now is 39.5 secs Computing kpt #: 275 total cpu time spent up to now is 39.7 secs Computing kpt #: 276 total cpu time spent up to now is 39.9 secs Computing kpt #: 277 total cpu time spent up to now is 40.0 secs Computing kpt #: 278 total cpu time spent up to now is 40.2 secs Computing kpt #: 279 total cpu time spent up to now is 40.3 secs Computing kpt #: 280 total cpu time spent up to now is 40.5 secs Computing kpt #: 281 total cpu time spent up to now is 40.7 secs Computing kpt #: 282 total cpu time spent up to now is 40.8 secs Computing kpt #: 283 total cpu time spent up to now is 41.0 secs Computing kpt #: 284 total cpu time spent up to now is 41.2 secs Computing kpt #: 285 total cpu time spent up to now is 41.4 secs Computing kpt #: 286 total cpu time spent up to now is 41.6 secs Computing kpt #: 287 total cpu time spent up to now is 41.7 secs Computing kpt #: 288 total cpu time spent up to now is 41.9 secs Computing kpt #: 289 total cpu time spent up to now is 42.1 secs Computing kpt #: 290 total cpu time spent up to now is 42.3 secs Computing kpt #: 291 total cpu time spent up to now is 42.4 secs Computing kpt #: 292 total cpu time spent up to now is 42.6 secs Computing kpt #: 293 total cpu time spent up to now is 42.8 secs Computing kpt #: 294 total cpu time spent up to now is 42.9 secs Computing kpt #: 295 total cpu time spent up to now is 43.1 secs Computing kpt #: 296 total cpu time spent up to now is 43.3 secs Computing kpt #: 297 total cpu time spent up to now is 43.4 secs Computing kpt #: 298 total cpu time spent up to now is 43.6 secs Computing kpt #: 299 total cpu time spent up to now is 43.8 secs Computing kpt #: 300 total cpu time spent up to now is 43.9 secs Computing kpt #: 301 total cpu time spent up to now is 44.1 secs Computing kpt #: 302 total cpu time spent up to now is 44.2 secs Computing kpt #: 303 total cpu time spent up to now is 44.4 secs Computing kpt #: 304 total cpu time spent up to now is 44.5 secs Computing kpt #: 305 total cpu time spent up to now is 44.7 secs Computing kpt #: 306 total cpu time spent up to now is 44.8 secs Computing kpt #: 307 total cpu time spent up to now is 45.0 secs Computing kpt #: 308 total cpu time spent up to now is 45.2 secs Computing kpt #: 309 total cpu time spent up to now is 45.3 secs Computing kpt #: 310 total cpu time spent up to now is 45.5 secs Computing kpt #: 311 total cpu time spent up to now is 45.6 secs Computing kpt #: 312 total cpu time spent up to now is 45.8 secs Computing kpt #: 313 total cpu time spent up to now is 45.9 secs Computing kpt #: 314 total cpu time spent up to now is 46.0 secs Computing kpt #: 315 total cpu time spent up to now is 46.1 secs Computing kpt #: 316 total cpu time spent up to now is 46.3 secs Computing kpt #: 317 total cpu time spent up to now is 46.4 secs Computing kpt #: 318 total cpu time spent up to now is 46.5 secs Computing kpt #: 319 total cpu time spent up to now is 46.7 secs Computing kpt #: 320 total cpu time spent up to now is 46.8 secs Computing kpt #: 321 total cpu time spent up to now is 46.9 secs Computing kpt #: 322 total cpu time spent up to now is 47.0 secs Computing kpt #: 323 total cpu time spent up to now is 47.1 secs Computing kpt #: 324 total cpu time spent up to now is 47.3 secs Computing kpt #: 325 total cpu time spent up to now is 47.4 secs Computing kpt #: 326 total cpu time spent up to now is 47.5 secs Computing kpt #: 327 total cpu time spent up to now is 47.6 secs Computing kpt #: 328 total cpu time spent up to now is 47.8 secs Computing kpt #: 329 total cpu time spent up to now is 47.9 secs Computing kpt #: 330 total cpu time spent up to now is 48.0 secs Computing kpt #: 331 total cpu time spent up to now is 48.1 secs Computing kpt #: 332 total cpu time spent up to now is 48.3 secs Computing kpt #: 333 total cpu time spent up to now is 48.4 secs Computing kpt #: 334 total cpu time spent up to now is 48.5 secs Computing kpt #: 335 total cpu time spent up to now is 48.6 secs Computing kpt #: 336 total cpu time spent up to now is 48.7 secs Computing kpt #: 337 total cpu time spent up to now is 48.8 secs Computing kpt #: 338 total cpu time spent up to now is 49.0 secs Computing kpt #: 339 total cpu time spent up to now is 49.1 secs Computing kpt #: 340 total cpu time spent up to now is 49.2 secs Computing kpt #: 341 total cpu time spent up to now is 49.3 secs Computing kpt #: 342 total cpu time spent up to now is 49.4 secs Computing kpt #: 343 total cpu time spent up to now is 49.6 secs Computing kpt #: 344 total cpu time spent up to now is 49.7 secs Computing kpt #: 345 total cpu time spent up to now is 49.8 secs Computing kpt #: 346 total cpu time spent up to now is 49.9 secs Computing kpt #: 347 total cpu time spent up to now is 50.0 secs Computing kpt #: 348 total cpu time spent up to now is 50.2 secs Computing kpt #: 349 total cpu time spent up to now is 50.3 secs Computing kpt #: 350 total cpu time spent up to now is 50.4 secs Computing kpt #: 351 total cpu time spent up to now is 50.6 secs Computing kpt #: 352 total cpu time spent up to now is 50.7 secs Computing kpt #: 353 total cpu time spent up to now is 50.8 secs Computing kpt #: 354 total cpu time spent up to now is 50.9 secs Computing kpt #: 355 total cpu time spent up to now is 51.1 secs Computing kpt #: 356 total cpu time spent up to now is 51.2 secs Computing kpt #: 357 total cpu time spent up to now is 51.3 secs Computing kpt #: 358 total cpu time spent up to now is 51.5 secs Computing kpt #: 359 total cpu time spent up to now is 51.6 secs Computing kpt #: 360 total cpu time spent up to now is 51.8 secs Computing kpt #: 361 total cpu time spent up to now is 51.9 secs Computing kpt #: 362 total cpu time spent up to now is 52.0 secs Computing kpt #: 363 total cpu time spent up to now is 52.2 secs Computing kpt #: 364 total cpu time spent up to now is 52.3 secs Computing kpt #: 365 total cpu time spent up to now is 52.5 secs Computing kpt #: 366 total cpu time spent up to now is 52.6 secs Computing kpt #: 367 total cpu time spent up to now is 52.8 secs Computing kpt #: 368 total cpu time spent up to now is 52.9 secs Computing kpt #: 369 total cpu time spent up to now is 53.1 secs Computing kpt #: 370 total cpu time spent up to now is 53.2 secs Computing kpt #: 371 total cpu time spent up to now is 53.3 secs Computing kpt #: 372 total cpu time spent up to now is 53.5 secs Computing kpt #: 373 total cpu time spent up to now is 53.6 secs Computing kpt #: 374 total cpu time spent up to now is 53.8 secs Computing kpt #: 375 total cpu time spent up to now is 53.9 secs Computing kpt #: 376 total cpu time spent up to now is 54.1 secs Computing kpt #: 377 total cpu time spent up to now is 54.3 secs Computing kpt #: 378 total cpu time spent up to now is 54.4 secs Computing kpt #: 379 total cpu time spent up to now is 54.6 secs Computing kpt #: 380 total cpu time spent up to now is 54.7 secs Computing kpt #: 381 total cpu time spent up to now is 54.9 secs Computing kpt #: 382 total cpu time spent up to now is 55.0 secs Computing kpt #: 383 total cpu time spent up to now is 55.2 secs Computing kpt #: 384 total cpu time spent up to now is 55.3 secs Computing kpt #: 385 total cpu time spent up to now is 55.5 secs Computing kpt #: 386 total cpu time spent up to now is 55.7 secs Computing kpt #: 387 total cpu time spent up to now is 55.8 secs Computing kpt #: 388 total cpu time spent up to now is 56.0 secs Computing kpt #: 389 total cpu time spent up to now is 56.1 secs Computing kpt #: 390 total cpu time spent up to now is 56.3 secs Computing kpt #: 391 total cpu time spent up to now is 56.5 secs Computing kpt #: 392 total cpu time spent up to now is 56.6 secs Computing kpt #: 393 total cpu time spent up to now is 56.8 secs Computing kpt #: 394 total cpu time spent up to now is 56.9 secs Computing kpt #: 395 total cpu time spent up to now is 57.1 secs Computing kpt #: 396 total cpu time spent up to now is 57.2 secs Computing kpt #: 397 total cpu time spent up to now is 57.4 secs Computing kpt #: 398 total cpu time spent up to now is 57.6 secs Computing kpt #: 399 total cpu time spent up to now is 57.7 secs Computing kpt #: 400 total cpu time spent up to now is 57.9 secs Computing kpt #: 401 total cpu time spent up to now is 58.0 secs Computing kpt #: 402 total cpu time spent up to now is 58.2 secs Computing kpt #: 403 total cpu time spent up to now is 58.3 secs Computing kpt #: 404 total cpu time spent up to now is 58.5 secs Computing kpt #: 405 total cpu time spent up to now is 58.6 secs Computing kpt #: 406 total cpu time spent up to now is 58.7 secs Computing kpt #: 407 total cpu time spent up to now is 58.9 secs Computing kpt #: 408 total cpu time spent up to now is 59.0 secs Computing kpt #: 409 total cpu time spent up to now is 59.1 secs Computing kpt #: 410 total cpu time spent up to now is 59.3 secs Computing kpt #: 411 total cpu time spent up to now is 59.4 secs Computing kpt #: 412 total cpu time spent up to now is 59.6 secs Computing kpt #: 413 total cpu time spent up to now is 59.7 secs Computing kpt #: 414 total cpu time spent up to now is 59.8 secs Computing kpt #: 415 total cpu time spent up to now is 60.0 secs Computing kpt #: 416 total cpu time spent up to now is 60.1 secs Computing kpt #: 417 total cpu time spent up to now is 60.2 secs Computing kpt #: 418 total cpu time spent up to now is 60.4 secs Computing kpt #: 419 total cpu time spent up to now is 60.5 secs Computing kpt #: 420 total cpu time spent up to now is 60.6 secs Computing kpt #: 421 total cpu time spent up to now is 60.8 secs Computing kpt #: 422 total cpu time spent up to now is 60.9 secs Computing kpt #: 423 total cpu time spent up to now is 61.1 secs Computing kpt #: 424 total cpu time spent up to now is 61.2 secs Computing kpt #: 425 total cpu time spent up to now is 61.3 secs Computing kpt #: 426 total cpu time spent up to now is 61.5 secs Computing kpt #: 427 total cpu time spent up to now is 61.6 secs Computing kpt #: 428 total cpu time spent up to now is 61.7 secs Computing kpt #: 429 total cpu time spent up to now is 61.9 secs Computing kpt #: 430 total cpu time spent up to now is 62.0 secs Computing kpt #: 431 total cpu time spent up to now is 62.1 secs Computing kpt #: 432 total cpu time spent up to now is 62.3 secs Computing kpt #: 433 total cpu time spent up to now is 62.4 secs Computing kpt #: 434 total cpu time spent up to now is 62.5 secs Computing kpt #: 435 total cpu time spent up to now is 62.6 secs Computing kpt #: 436 total cpu time spent up to now is 62.8 secs Computing kpt #: 437 total cpu time spent up to now is 62.9 secs Computing kpt #: 438 total cpu time spent up to now is 63.0 secs Computing kpt #: 439 total cpu time spent up to now is 63.2 secs Computing kpt #: 440 total cpu time spent up to now is 63.4 secs Computing kpt #: 441 total cpu time spent up to now is 63.5 secs Computing kpt #: 442 total cpu time spent up to now is 63.6 secs Computing kpt #: 443 total cpu time spent up to now is 63.8 secs Computing kpt #: 444 total cpu time spent up to now is 63.9 secs Computing kpt #: 445 total cpu time spent up to now is 64.0 secs Computing kpt #: 446 total cpu time spent up to now is 64.1 secs Computing kpt #: 447 total cpu time spent up to now is 64.3 secs Computing kpt #: 448 total cpu time spent up to now is 64.4 secs Computing kpt #: 449 total cpu time spent up to now is 64.5 secs Computing kpt #: 450 total cpu time spent up to now is 64.6 secs Computing kpt #: 451 total cpu time spent up to now is 64.8 secs Computing kpt #: 452 total cpu time spent up to now is 64.9 secs Computing kpt #: 453 total cpu time spent up to now is 65.0 secs Computing kpt #: 454 total cpu time spent up to now is 65.1 secs Computing kpt #: 455 total cpu time spent up to now is 65.3 secs Computing kpt #: 456 total cpu time spent up to now is 65.4 secs Computing kpt #: 457 total cpu time spent up to now is 65.5 secs ethr = 3.57E-08, avg # of iterations = 12.5 total cpu time spent up to now is 65.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -27.2026 -27.2026 -27.0636 -27.0636 -23.2853 -23.2853 -22.9988 -22.9988 -9.6863 -9.6863 -8.9817 -8.9817 -6.4741 -6.4741 -6.3879 -6.3879 -6.3007 -6.3007 -6.2632 -6.2632 -4.5511 -4.5511 -4.4731 -4.4731 -4.3324 -4.3324 -4.2090 -4.2090 -2.8488 -2.8488 -2.0154 -2.0154 5.3979 5.3979 7.8794 7.8794 k = 0.0086 0.0051-0.0000 ( 2609 PWs) bands (ev): -27.2025 -27.2025 -27.0635 -27.0635 -23.2853 -23.2853 -22.9987 -22.9987 -9.6862 -9.6862 -8.9818 -8.9818 -6.4743 -6.4743 -6.3885 -6.3885 -6.3014 -6.3014 -6.2637 -6.2637 -4.5511 -4.5511 -4.4730 -4.4730 -4.3327 -4.3327 -4.2091 -4.2091 -2.8485 -2.8485 -2.0156 -2.0156 5.3999 5.3999 7.8811 7.8811 k = 0.0172 0.0103-0.0000 ( 2611 PWs) bands (ev): -27.2022 -27.2022 -27.0633 -27.0633 -23.2851 -23.2851 -22.9987 -22.9987 -9.6858 -9.6858 -8.9821 -8.9821 -6.4750 -6.4750 -6.3901 -6.3901 -6.3033 -6.3033 -6.2652 -6.2652 -4.5511 -4.5511 -4.4730 -4.4730 -4.3339 -4.3339 -4.2095 -4.2095 -2.8477 -2.8477 -2.0159 -2.0159 5.4062 5.4062 7.8864 7.8864 k = 0.0259 0.0154-0.0000 ( 2611 PWs) bands (ev): -27.2017 -27.2017 -27.0629 -27.0629 -23.2847 -23.2847 -22.9987 -22.9987 -9.6852 -9.6852 -8.9826 -8.9826 -6.4761 -6.4761 -6.3929 -6.3929 -6.3065 -6.3065 -6.2677 -6.2677 -4.5511 -4.5511 -4.4728 -4.4728 -4.3359 -4.3359 -4.2103 -4.2103 -2.8463 -2.8463 -2.0165 -2.0165 5.4165 5.4165 7.8953 7.8953 k = 0.0345 0.0206-0.0000 ( 2615 PWs) bands (ev): -27.2009 -27.2009 -27.0623 -27.0623 -23.2843 -23.2843 -22.9986 -22.9986 -9.6844 -9.6844 -8.9833 -8.9833 -6.4777 -6.4777 -6.3968 -6.3968 -6.3112 -6.3112 -6.2709 -6.2709 -4.5510 -4.5510 -4.4727 -4.4727 -4.3386 -4.3386 -4.2113 -4.2113 -2.8444 -2.8444 -2.0174 -2.0174 5.4310 5.4310 7.9077 7.9077 k = 0.0431 0.0257-0.0000 ( 2615 PWs) bands (ev): -27.2000 -27.2000 -27.0616 -27.0616 -23.2837 -23.2837 -22.9985 -22.9985 -9.6833 -9.6833 -8.9841 -8.9841 -6.4798 -6.4798 -6.4018 -6.4018 -6.3175 -6.3175 -6.2747 -6.2747 -4.5510 -4.5510 -4.4724 -4.4724 -4.3421 -4.3421 -4.2125 -4.2125 -2.8419 -2.8419 -2.0185 -2.0185 5.4496 5.4496 7.9235 7.9235 k = 0.0517 0.0308-0.0000 ( 2615 PWs) bands (ev): -27.1989 -27.1989 -27.0608 -27.0608 -23.2830 -23.2830 -22.9984 -22.9984 -9.6820 -9.6820 -8.9852 -8.9852 -6.4823 -6.4823 -6.4080 -6.4080 -6.3253 -6.3253 -6.2788 -6.2788 -4.5510 -4.5510 -4.4722 -4.4722 -4.3463 -4.3463 -4.2141 -4.2141 -2.8389 -2.8389 -2.0198 -2.0198 5.4722 5.4722 7.9428 7.9428 k = 0.0603 0.0360-0.0000 ( 2619 PWs) bands (ev): -27.1976 -27.1976 -27.0598 -27.0598 -23.2821 -23.2821 -22.9983 -22.9983 -9.6804 -9.6804 -8.9864 -8.9864 -6.4855 -6.4855 -6.4153 -6.4153 -6.3349 -6.3349 -6.2831 -6.2831 -4.5511 -4.5511 -4.4719 -4.4719 -4.3512 -4.3512 -4.2159 -4.2159 -2.8355 -2.8355 -2.0214 -2.0214 5.4988 5.4988 7.9656 7.9656 k = 0.0690 0.0411-0.0000 ( 2627 PWs) bands (ev): -27.1961 -27.1961 -27.0586 -27.0586 -23.2811 -23.2811 -22.9981 -22.9981 -9.6786 -9.6786 -8.9878 -8.9878 -6.4892 -6.4892 -6.4238 -6.4238 -6.3461 -6.3461 -6.2875 -6.2875 -4.5512 -4.5512 -4.4717 -4.4717 -4.3567 -4.3567 -4.2179 -4.2179 -2.8315 -2.8315 -2.0232 -2.0232 5.5294 5.5294 7.9917 7.9917 k = 0.0776 0.0463-0.0000 ( 2623 PWs) bands (ev): -27.1944 -27.1944 -27.0573 -27.0573 -23.2801 -23.2801 -22.9979 -22.9979 -9.6766 -9.6766 -8.9894 -8.9894 -6.4936 -6.4936 -6.4333 -6.4333 -6.3590 -6.3590 -6.2919 -6.2919 -4.5513 -4.5513 -4.4715 -4.4715 -4.3630 -4.3630 -4.2202 -4.2202 -2.8271 -2.8271 -2.0252 -2.0252 5.5639 5.5639 8.0210 8.0210 k = 0.0862 0.0514-0.0000 ( 2623 PWs) bands (ev): -27.1925 -27.1925 -27.0558 -27.0558 -23.2788 -23.2788 -22.9978 -22.9978 -9.6744 -9.6744 -8.9912 -8.9912 -6.4987 -6.4987 -6.4437 -6.4437 -6.3732 -6.3732 -6.2963 -6.2963 -4.5516 -4.5516 -4.4713 -4.4713 -4.3698 -4.3698 -4.2227 -4.2227 -2.8222 -2.8222 -2.0274 -2.0274 5.6023 5.6023 8.0537 8.0537 k = 0.0948 0.0566-0.0000 ( 2619 PWs) bands (ev): -27.1905 -27.1905 -27.0543 -27.0543 -23.2775 -23.2775 -22.9975 -22.9975 -9.6719 -9.6719 -8.9931 -8.9931 -6.5049 -6.5049 -6.4551 -6.4551 -6.3887 -6.3887 -6.3006 -6.3006 -4.5520 -4.5520 -4.4711 -4.4711 -4.3772 -4.3772 -4.2255 -4.2255 -2.8169 -2.8169 -2.0298 -2.0298 5.6445 5.6445 8.0894 8.0894 k = 0.1034 0.0617-0.0000 ( 2615 PWs) bands (ev): -27.1883 -27.1883 -27.0525 -27.0525 -23.2761 -23.2761 -22.9973 -22.9973 -9.6693 -9.6693 -8.9952 -8.9952 -6.5122 -6.5122 -6.4671 -6.4671 -6.4052 -6.4052 -6.3049 -6.3049 -4.5525 -4.5525 -4.4710 -4.4710 -4.3851 -4.3851 -4.2284 -4.2284 -2.8112 -2.8112 -2.0324 -2.0324 5.6904 5.6904 8.1283 8.1283 k = 0.1121 0.0668-0.0000 ( 2619 PWs) bands (ev): -27.1859 -27.1859 -27.0507 -27.0507 -23.2746 -23.2746 -22.9971 -22.9971 -9.6664 -9.6664 -8.9975 -8.9975 -6.5211 -6.5211 -6.4798 -6.4798 -6.4222 -6.4222 -6.3093 -6.3093 -4.5532 -4.5532 -4.4711 -4.4711 -4.3935 -4.3935 -4.2315 -4.2315 -2.8052 -2.8052 -2.0352 -2.0352 5.7399 5.7399 8.1701 8.1701 k = 0.1207 0.0720-0.0000 ( 2621 PWs) bands (ev): -27.1834 -27.1834 -27.0487 -27.0487 -23.2729 -23.2729 -22.9968 -22.9968 -9.6633 -9.6633 -8.9999 -8.9999 -6.5317 -6.5317 -6.4932 -6.4932 -6.4393 -6.4393 -6.3136 -6.3136 -4.5541 -4.5541 -4.4712 -4.4712 -4.4023 -4.4023 -4.2348 -4.2348 -2.7988 -2.7988 -2.0381 -2.0381 5.7930 5.7930 8.2148 8.2148 k = 0.1293 0.0771-0.0000 ( 2617 PWs) bands (ev): -27.1807 -27.1807 -27.0466 -27.0466 -23.2712 -23.2712 -22.9966 -22.9966 -9.6601 -9.6601 -9.0025 -9.0025 -6.5443 -6.5443 -6.5078 -6.5078 -6.4556 -6.4556 -6.3179 -6.3179 -4.5554 -4.5554 -4.4714 -4.4714 -4.4113 -4.4113 -4.2382 -4.2382 -2.7921 -2.7921 -2.0412 -2.0412 5.8496 5.8496 8.2623 8.2623 k = 0.1379 0.0823-0.0000 ( 2617 PWs) bands (ev): -27.1778 -27.1778 -27.0444 -27.0444 -23.2694 -23.2694 -22.9963 -22.9963 -9.6567 -9.6567 -9.0052 -9.0052 -6.5589 -6.5589 -6.5242 -6.5242 -6.4704 -6.4704 -6.3223 -6.3223 -4.5569 -4.5569 -4.4718 -4.4718 -4.4207 -4.4207 -4.2417 -4.2417 -2.7852 -2.7852 -2.0444 -2.0444 5.9096 5.9096 8.3124 8.3124 k = 0.1466 0.0874-0.0000 ( 2613 PWs) bands (ev): -27.1748 -27.1748 -27.0421 -27.0421 -23.2674 -23.2674 -22.9960 -22.9960 -9.6530 -9.6530 -9.0080 -9.0080 -6.5752 -6.5752 -6.5428 -6.5428 -6.4831 -6.4831 -6.3266 -6.3266 -4.5588 -4.5588 -4.4724 -4.4724 -4.4301 -4.4301 -4.2453 -4.2453 -2.7780 -2.7780 -2.0478 -2.0478 5.9729 5.9729 8.3650 8.3650 k = 0.1552 0.0925-0.0000 ( 2622 PWs) bands (ev): -27.1717 -27.1717 -27.0398 -27.0398 -23.2655 -23.2655 -22.9957 -22.9957 -9.6493 -9.6493 -9.0110 -9.0110 -6.5930 -6.5930 -6.5637 -6.5637 -6.4940 -6.4940 -6.3310 -6.3310 -4.5612 -4.5612 -4.4732 -4.4732 -4.4396 -4.4396 -4.2490 -4.2490 -2.7706 -2.7706 -2.0514 -2.0514 6.0394 6.0394 8.4200 8.4200 k = 0.1638 0.0977-0.0000 ( 2622 PWs) bands (ev): -27.1685 -27.1685 -27.0373 -27.0373 -23.2634 -23.2634 -22.9954 -22.9954 -9.6454 -9.6454 -9.0141 -9.0141 -6.6120 -6.6120 -6.5864 -6.5864 -6.5034 -6.5034 -6.3354 -6.3354 -4.5641 -4.5641 -4.4743 -4.4743 -4.4489 -4.4489 -4.2528 -4.2528 -2.7630 -2.7630 -2.0550 -2.0550 6.1090 6.1090 8.4773 8.4773 k = 0.1724 0.1028-0.0000 ( 2628 PWs) bands (ev): -27.1652 -27.1652 -27.0347 -27.0347 -23.2613 -23.2613 -22.9951 -22.9951 -9.6413 -9.6413 -9.0173 -9.0173 -6.6321 -6.6321 -6.6104 -6.6104 -6.5118 -6.5118 -6.3398 -6.3398 -4.5677 -4.5677 -4.4758 -4.4758 -4.4578 -4.4578 -4.2565 -4.2565 -2.7553 -2.7553 -2.0587 -2.0587 6.1817 6.1817 8.5366 8.5366 k = 0.1810 0.1080-0.0000 ( 2626 PWs) bands (ev): -27.1617 -27.1617 -27.0321 -27.0321 -23.2591 -23.2591 -22.9948 -22.9948 -9.6371 -9.6371 -9.0206 -9.0206 -6.6534 -6.6534 -6.6351 -6.6351 -6.5196 -6.5196 -6.3443 -6.3443 -4.5720 -4.5720 -4.4779 -4.4779 -4.4658 -4.4658 -4.2603 -4.2603 -2.7474 -2.7474 -2.0625 -2.0625 6.2572 6.2572 8.5979 8.5979 k = 0.1897 0.1131-0.0000 ( 2618 PWs) bands (ev): -27.1582 -27.1582 -27.0293 -27.0293 -23.2568 -23.2568 -22.9944 -22.9944 -9.6327 -9.6327 -9.0239 -9.0239 -6.6759 -6.6759 -6.6599 -6.6599 -6.5270 -6.5270 -6.3487 -6.3487 -4.5772 -4.5772 -4.4815 -4.4815 -4.4722 -4.4722 -4.2641 -4.2641 -2.7395 -2.7395 -2.0664 -2.0664 6.3356 6.3356 8.6610 8.6610 k = 0.1983 0.1182-0.0000 ( 2618 PWs) bands (ev): -27.1546 -27.1546 -27.0266 -27.0266 -23.2545 -23.2545 -22.9941 -22.9941 -9.6282 -9.6282 -9.0274 -9.0274 -6.6999 -6.6999 -6.6844 -6.6844 -6.5342 -6.5342 -6.3532 -6.3532 -4.5833 -4.5833 -4.4870 -4.4870 -4.4763 -4.4763 -4.2678 -4.2678 -2.7314 -2.7314 -2.0704 -2.0704 6.4167 6.4167 8.7256 8.7256 k = 0.2069 0.1234-0.0000 ( 2620 PWs) bands (ev): -27.1509 -27.1509 -27.0237 -27.0237 -23.2521 -23.2521 -22.9938 -22.9938 -9.6237 -9.6237 -9.0309 -9.0309 -6.7255 -6.7255 -6.7082 -6.7082 -6.5412 -6.5412 -6.3577 -6.3577 -4.5904 -4.5904 -4.4933 -4.4933 -4.4791 -4.4791 -4.2715 -4.2715 -2.7234 -2.7234 -2.0744 -2.0744 6.5004 6.5004 8.7918 8.7918 k = 0.2155 0.1285-0.0000 ( 2618 PWs) bands (ev): -27.1472 -27.1472 -27.0209 -27.0209 -23.2498 -23.2498 -22.9934 -22.9934 -9.6190 -9.6190 -9.0345 -9.0345 -6.7523 -6.7523 -6.7313 -6.7313 -6.5481 -6.5481 -6.3621 -6.3621 -4.5984 -4.5984 -4.4994 -4.4994 -4.4816 -4.4816 -4.2751 -4.2751 -2.7153 -2.7153 -2.0784 -2.0784 6.5866 6.5866 8.8593 8.8593 k = 0.2241 0.1337-0.0000 ( 2618 PWs) bands (ev): -27.1434 -27.1434 -27.0179 -27.0179 -23.2473 -23.2473 -22.9931 -22.9931 -9.6142 -9.6142 -9.0381 -9.0381 -6.7798 -6.7798 -6.7541 -6.7541 -6.5549 -6.5549 -6.3666 -6.3666 -4.6074 -4.6074 -4.5050 -4.5050 -4.4841 -4.4841 -4.2786 -4.2786 -2.7072 -2.7072 -2.0825 -2.0825 6.6753 6.6753 8.9280 8.9280 k = 0.2328 0.1388-0.0000 ( 2618 PWs) bands (ev): -27.1395 -27.1395 -27.0150 -27.0150 -23.2449 -23.2449 -22.9927 -22.9927 -9.6094 -9.6094 -9.0418 -9.0418 -6.8077 -6.8077 -6.7768 -6.7768 -6.5616 -6.5616 -6.3710 -6.3710 -4.6171 -4.6171 -4.5101 -4.5101 -4.4868 -4.4868 -4.2819 -4.2819 -2.6991 -2.6991 -2.0866 -2.0866 6.7663 6.7663 8.9977 8.9977 k = 0.2414 0.1439-0.0000 ( 2620 PWs) bands (ev): -27.1357 -27.1357 -27.0120 -27.0120 -23.2424 -23.2424 -22.9924 -22.9924 -9.6046 -9.6046 -9.0455 -9.0455 -6.8359 -6.8359 -6.7992 -6.7992 -6.5682 -6.5682 -6.3754 -6.3754 -4.6275 -4.6275 -4.5148 -4.5148 -4.4895 -4.4895 -4.2852 -4.2852 -2.6911 -2.6911 -2.0907 -2.0907 6.8594 6.8594 9.0685 9.0685 k = 0.2500 0.1491-0.0000 ( 2632 PWs) bands (ev): -27.1318 -27.1318 -27.0091 -27.0091 -23.2400 -23.2400 -22.9921 -22.9921 -9.5997 -9.5997 -9.0492 -9.0492 -6.8641 -6.8641 -6.8215 -6.8215 -6.5748 -6.5748 -6.3798 -6.3798 -4.6385 -4.6385 -4.5190 -4.5190 -4.4924 -4.4924 -4.2883 -4.2883 -2.6832 -2.6832 -2.0948 -2.0948 6.9547 6.9547 9.1402 9.1402 k = 0.2586 0.1542-0.0000 ( 2632 PWs) bands (ev): -27.1280 -27.1280 -27.0061 -27.0061 -23.2375 -23.2375 -22.9917 -22.9917 -9.5947 -9.5947 -9.0530 -9.0530 -6.8922 -6.8922 -6.8436 -6.8436 -6.5813 -6.5813 -6.3842 -6.3842 -4.6499 -4.6499 -4.5229 -4.5229 -4.4954 -4.4954 -4.2913 -4.2913 -2.6754 -2.6754 -2.0989 -2.0989 7.0520 7.0520 9.2126 9.2126 k = 0.2672 0.1594-0.0000 ( 2634 PWs) bands (ev): -27.1241 -27.1241 -27.0032 -27.0032 -23.2351 -23.2351 -22.9914 -22.9914 -9.5898 -9.5898 -9.0567 -9.0567 -6.9201 -6.9201 -6.8655 -6.8655 -6.5877 -6.5877 -6.3884 -6.3884 -4.6615 -4.6615 -4.5266 -4.5266 -4.4986 -4.4986 -4.2941 -4.2941 -2.6677 -2.6677 -2.1030 -2.1030 7.1512 7.1512 9.2859 9.2859 k = 0.2759 0.1645-0.0000 ( 2630 PWs) bands (ev): -27.1202 -27.1202 -27.0002 -27.0002 -23.2326 -23.2326 -22.9911 -22.9911 -9.5848 -9.5848 -9.0604 -9.0604 -6.9477 -6.9477 -6.8870 -6.8870 -6.5941 -6.5941 -6.3926 -6.3926 -4.6734 -4.6734 -4.5301 -4.5301 -4.5018 -4.5018 -4.2968 -4.2968 -2.6601 -2.6601 -2.1070 -2.1070 7.2522 7.2522 9.3598 9.3598 k = 0.2845 0.1697-0.0000 ( 2638 PWs) bands (ev): -27.1164 -27.1164 -26.9973 -26.9973 -23.2302 -23.2302 -22.9907 -22.9907 -9.5799 -9.5799 -9.0641 -9.0641 -6.9750 -6.9750 -6.9082 -6.9082 -6.6003 -6.6003 -6.3968 -6.3968 -4.6853 -4.6853 -4.5335 -4.5335 -4.5050 -4.5050 -4.2993 -4.2993 -2.6527 -2.6527 -2.1109 -2.1109 7.3549 7.3549 9.4344 9.4344 k = 0.2931 0.1748-0.0000 ( 2628 PWs) bands (ev): -27.1126 -27.1126 -26.9944 -26.9944 -23.2278 -23.2278 -22.9904 -22.9904 -9.5749 -9.5749 -9.0677 -9.0677 -7.0018 -7.0018 -6.9290 -6.9290 -6.6064 -6.6064 -6.4008 -6.4008 -4.6972 -4.6972 -4.5368 -4.5368 -4.5082 -4.5082 -4.3017 -4.3017 -2.6454 -2.6454 -2.1149 -2.1149 7.4593 7.4593 9.5096 9.5096 k = 0.3017 0.1799-0.0000 ( 2628 PWs) bands (ev): -27.1089 -27.1089 -26.9915 -26.9915 -23.2254 -23.2254 -22.9901 -22.9901 -9.5701 -9.5701 -9.0713 -9.0713 -7.0281 -7.0281 -6.9493 -6.9493 -6.6124 -6.6124 -6.4048 -6.4048 -4.7091 -4.7091 -4.5402 -4.5402 -4.5115 -4.5115 -4.3039 -4.3039 -2.6384 -2.6384 -2.1187 -2.1187 7.5652 7.5652 9.5852 9.5852 k = 0.3103 0.1851-0.0000 ( 2630 PWs) bands (ev): -27.1052 -27.1052 -26.9887 -26.9887 -23.2231 -23.2231 -22.9898 -22.9898 -9.5653 -9.5653 -9.0749 -9.0749 -7.0539 -7.0539 -6.9692 -6.9692 -6.6182 -6.6182 -6.4087 -6.4087 -4.7208 -4.7208 -4.5435 -4.5435 -4.5146 -4.5146 -4.3059 -4.3059 -2.6315 -2.6315 -2.1225 -2.1225 7.6725 7.6725 9.6613 9.6613 k = 0.3190 0.1902-0.0000 ( 2634 PWs) bands (ev): -27.1017 -27.1017 -26.9860 -26.9860 -23.2209 -23.2209 -22.9895 -22.9895 -9.5605 -9.5605 -9.0784 -9.0784 -7.0790 -7.0790 -6.9885 -6.9885 -6.6239 -6.6239 -6.4124 -6.4124 -4.7323 -4.7323 -4.5469 -4.5469 -4.5177 -4.5177 -4.3078 -4.3078 -2.6249 -2.6249 -2.1262 -2.1262 7.7812 7.7812 9.7378 9.7378 k = 0.3276 0.1954-0.0000 ( 2634 PWs) bands (ev): -27.0982 -27.0982 -26.9833 -26.9833 -23.2186 -23.2186 -22.9893 -22.9893 -9.5559 -9.5559 -9.0818 -9.0818 -7.1033 -7.1033 -7.0072 -7.0072 -6.6294 -6.6294 -6.4161 -6.4161 -4.7436 -4.7436 -4.5503 -4.5503 -4.5206 -4.5206 -4.3096 -4.3096 -2.6184 -2.6184 -2.1297 -2.1297 7.8911 7.8911 9.8144 9.8144 k = 0.3362 0.2005-0.0000 ( 2634 PWs) bands (ev): -27.0948 -27.0948 -26.9807 -26.9807 -23.2165 -23.2165 -22.9890 -22.9890 -9.5513 -9.5513 -9.0851 -9.0851 -7.1269 -7.1269 -7.0253 -7.0253 -6.6347 -6.6347 -6.4196 -6.4196 -4.7546 -4.7546 -4.5537 -4.5537 -4.5235 -4.5235 -4.3113 -4.3113 -2.6123 -2.6123 -2.1332 -2.1332 8.0022 8.0022 9.8912 9.8912 k = 0.3448 0.2056-0.0000 ( 2642 PWs) bands (ev): -27.0915 -27.0915 -26.9782 -26.9782 -23.2144 -23.2144 -22.9887 -22.9887 -9.5469 -9.5469 -9.0883 -9.0883 -7.1497 -7.1497 -7.0427 -7.0427 -6.6399 -6.6399 -6.4230 -6.4230 -4.7653 -4.7653 -4.5572 -4.5572 -4.5262 -4.5262 -4.3128 -4.3128 -2.6063 -2.6063 -2.1365 -2.1365 8.1143 8.1143 9.9679 9.9679 k = 0.3534 0.2108-0.0000 ( 2648 PWs) bands (ev): -27.0883 -27.0883 -26.9757 -26.9757 -23.2124 -23.2124 -22.9885 -22.9885 -9.5426 -9.5426 -9.0914 -9.0914 -7.1715 -7.1715 -7.0593 -7.0593 -6.6448 -6.6448 -6.4262 -6.4262 -4.7756 -4.7756 -4.5607 -4.5607 -4.5287 -4.5287 -4.3142 -4.3142 -2.6007 -2.6007 -2.1398 -2.1398 8.2275 8.2275 10.0443 10.0443 k = 0.3621 0.2159-0.0000 ( 2648 PWs) bands (ev): -27.0852 -27.0852 -26.9734 -26.9734 -23.2105 -23.2105 -22.9883 -22.9883 -9.5384 -9.5384 -9.0944 -9.0944 -7.1924 -7.1924 -7.0753 -7.0753 -6.6496 -6.6496 -6.4293 -6.4293 -4.7855 -4.7855 -4.5641 -4.5641 -4.5311 -4.5311 -4.3155 -4.3155 -2.5953 -2.5953 -2.1429 -2.1429 8.3415 8.3415 10.1203 10.1203 k = 0.3707 0.2211-0.0000 ( 2648 PWs) bands (ev): -27.0823 -27.0823 -26.9712 -26.9712 -23.2086 -23.2086 -22.9880 -22.9880 -9.5344 -9.5344 -9.0972 -9.0972 -7.2123 -7.2123 -7.0904 -7.0904 -6.6541 -6.6541 -6.4323 -6.4323 -4.7949 -4.7949 -4.5675 -4.5675 -4.5333 -4.5333 -4.3166 -4.3166 -2.5902 -2.5902 -2.1458 -2.1458 8.4563 8.4563 10.1956 10.1956 k = 0.3793 0.2262-0.0000 ( 2644 PWs) bands (ev): -27.0795 -27.0795 -26.9690 -26.9690 -23.2069 -23.2069 -22.9878 -22.9878 -9.5306 -9.5306 -9.0999 -9.0999 -7.2311 -7.2311 -7.1047 -7.1047 -6.6583 -6.6583 -6.4350 -6.4350 -4.8039 -4.8039 -4.5709 -4.5709 -4.5353 -4.5353 -4.3177 -4.3177 -2.5854 -2.5854 -2.1486 -2.1486 8.5718 8.5718 10.2698 10.2698 k = 0.3879 0.2313-0.0000 ( 2636 PWs) bands (ev): -27.0769 -27.0769 -26.9670 -26.9670 -23.2052 -23.2052 -22.9876 -22.9876 -9.5269 -9.5269 -9.1025 -9.1025 -7.2489 -7.2489 -7.1182 -7.1182 -6.6623 -6.6623 -6.4376 -6.4376 -4.8123 -4.8123 -4.5741 -4.5741 -4.5372 -4.5372 -4.3187 -4.3187 -2.5809 -2.5809 -2.1512 -2.1512 8.6879 8.6879 10.3428 10.3428 k = 0.3966 0.2365-0.0000 ( 2634 PWs) bands (ev): -27.0744 -27.0744 -26.9651 -26.9651 -23.2037 -23.2037 -22.9874 -22.9874 -9.5235 -9.5235 -9.1049 -9.1049 -7.2655 -7.2655 -7.1307 -7.1307 -6.6661 -6.6661 -6.4401 -6.4401 -4.8203 -4.8203 -4.5772 -4.5772 -4.5390 -4.5390 -4.3196 -4.3196 -2.5767 -2.5767 -2.1537 -2.1537 8.8044 8.8044 10.4139 10.4139 k = 0.4052 0.2416-0.0000 ( 2632 PWs) bands (ev): -27.0721 -27.0721 -26.9634 -26.9634 -23.2022 -23.2022 -22.9872 -22.9872 -9.5203 -9.5203 -9.1071 -9.1071 -7.2809 -7.2809 -7.1424 -7.1424 -6.6696 -6.6696 -6.4423 -6.4423 -4.8277 -4.8277 -4.5802 -4.5802 -4.5406 -4.5406 -4.3204 -4.3204 -2.5728 -2.5728 -2.1560 -2.1560 8.9212 8.9212 10.4829 10.4829 k = 0.4138 0.2468-0.0000 ( 2636 PWs) bands (ev): -27.0700 -27.0700 -26.9618 -26.9618 -23.2009 -23.2009 -22.9871 -22.9871 -9.5173 -9.5173 -9.1092 -9.1092 -7.2951 -7.2951 -7.1531 -7.1531 -6.6728 -6.6728 -6.4444 -6.4444 -4.8345 -4.8345 -4.5830 -4.5830 -4.5421 -4.5421 -4.3211 -4.3211 -2.5692 -2.5692 -2.1581 -2.1581 9.0381 9.0381 10.5492 10.5492 k = 0.4224 0.2519-0.0000 ( 2634 PWs) bands (ev): -27.0680 -27.0680 -26.9603 -26.9603 -23.1997 -23.1997 -22.9870 -22.9870 -9.5146 -9.5146 -9.1111 -9.1111 -7.3081 -7.3081 -7.1629 -7.1629 -6.6757 -6.6757 -6.4463 -6.4463 -4.8408 -4.8408 -4.5856 -4.5856 -4.5434 -4.5434 -4.3217 -4.3217 -2.5659 -2.5659 -2.1600 -2.1600 9.1549 9.1549 10.6123 10.6123 k = 0.4310 0.2571-0.0000 ( 2634 PWs) bands (ev): -27.0663 -27.0663 -26.9589 -26.9589 -23.1986 -23.1986 -22.9868 -22.9868 -9.5121 -9.5121 -9.1128 -9.1128 -7.3198 -7.3198 -7.1717 -7.1717 -6.6784 -6.6784 -6.4480 -6.4480 -4.8464 -4.8464 -4.5880 -4.5880 -4.5446 -4.5446 -4.3223 -4.3223 -2.5630 -2.5630 -2.1618 -2.1618 9.2711 9.2711 10.6715 10.6715 k = 0.4397 0.2622-0.0000 ( 2634 PWs) bands (ev): -27.0647 -27.0647 -26.9577 -26.9577 -23.1976 -23.1976 -22.9867 -22.9867 -9.5099 -9.5099 -9.1143 -9.1143 -7.3302 -7.3302 -7.1795 -7.1795 -6.6807 -6.6807 -6.4495 -6.4495 -4.8514 -4.8514 -4.5901 -4.5901 -4.5456 -4.5456 -4.3228 -4.3228 -2.5604 -2.5604 -2.1633 -2.1633 9.3865 9.3865 10.7262 10.7262 k = 0.4483 0.2673-0.0000 ( 2642 PWs) bands (ev): -27.0634 -27.0634 -26.9567 -26.9567 -23.1967 -23.1967 -22.9866 -22.9866 -9.5079 -9.5079 -9.1156 -9.1156 -7.3392 -7.3392 -7.1863 -7.1863 -6.6828 -6.6828 -6.4508 -6.4508 -4.8558 -4.8558 -4.5920 -4.5920 -4.5465 -4.5465 -4.3232 -4.3232 -2.5582 -2.5582 -2.1647 -2.1647 9.5001 9.5001 10.7757 10.7757 k = 0.4569 0.2725-0.0000 ( 2644 PWs) bands (ev): -27.0622 -27.0622 -26.9558 -26.9558 -23.1960 -23.1960 -22.9865 -22.9865 -9.5063 -9.5063 -9.1168 -9.1168 -7.3469 -7.3469 -7.1921 -7.1921 -6.6846 -6.6846 -6.4520 -6.4520 -4.8595 -4.8595 -4.5936 -4.5936 -4.5473 -4.5473 -4.3235 -4.3235 -2.5563 -2.5563 -2.1658 -2.1658 9.6109 9.6109 10.8192 10.8192 k = 0.4655 0.2776-0.0000 ( 2648 PWs) bands (ev): -27.0612 -27.0612 -26.9551 -26.9551 -23.1954 -23.1954 -22.9865 -22.9865 -9.5049 -9.5049 -9.1177 -9.1177 -7.3532 -7.3532 -7.1969 -7.1969 -6.6860 -6.6860 -6.4529 -6.4529 -4.8625 -4.8625 -4.5949 -4.5949 -4.5479 -4.5479 -4.3238 -4.3238 -2.5547 -2.5547 -2.1668 -2.1668 9.7170 9.7170 10.8560 10.8560 k = 0.4741 0.2828-0.0000 ( 2652 PWs) bands (ev): -27.0605 -27.0605 -26.9545 -26.9545 -23.1950 -23.1950 -22.9864 -22.9864 -9.5039 -9.5039 -9.1184 -9.1184 -7.3582 -7.3582 -7.2006 -7.2006 -6.6871 -6.6871 -6.4536 -6.4536 -4.8649 -4.8649 -4.5960 -4.5960 -4.5484 -4.5484 -4.3240 -4.3240 -2.5535 -2.5535 -2.1675 -2.1675 9.8150 9.8150 10.8597 10.8597 k = 0.4828 0.2879-0.0000 ( 2652 PWs) bands (ev): -27.0600 -27.0600 -26.9541 -26.9541 -23.1946 -23.1946 -22.9864 -22.9864 -9.5031 -9.5031 -9.1189 -9.1189 -7.3617 -7.3617 -7.2032 -7.2032 -6.6879 -6.6879 -6.4541 -6.4541 -4.8666 -4.8666 -4.5967 -4.5967 -4.5487 -4.5487 -4.3242 -4.3242 -2.5526 -2.5526 -2.1680 -2.1680 9.8989 9.8989 10.7727 10.7727 k = 0.4914 0.2930-0.0000 ( 2648 PWs) bands (ev): -27.0596 -27.0596 -26.9539 -26.9539 -23.1944 -23.1944 -22.9864 -22.9864 -9.5026 -9.5026 -9.1193 -9.1193 -7.3638 -7.3638 -7.2048 -7.2048 -6.6884 -6.6884 -6.4544 -6.4544 -4.8676 -4.8676 -4.5972 -4.5972 -4.5490 -4.5490 -4.3243 -4.3243 -2.5521 -2.5521 -2.1684 -2.1684 9.9583 9.9583 10.7113 10.7113 k = 0.5000 0.2982-0.0000 ( 2650 PWs) bands (ev): -27.0595 -27.0595 -26.9538 -26.9538 -23.1943 -23.1943 -22.9863 -22.9863 -9.5025 -9.5025 -9.1194 -9.1194 -7.3645 -7.3645 -7.2053 -7.2053 -6.6885 -6.6885 -6.4545 -6.4545 -4.8680 -4.8680 -4.5973 -4.5973 -4.5490 -4.5490 -4.3243 -4.3243 -2.5519 -2.5519 -2.1685 -2.1685 9.9804 9.9804 10.6885 10.6885 k = 0.5000 0.2982-0.0000 ( 2650 PWs) bands (ev): -27.0595 -27.0595 -26.9538 -26.9538 -23.1943 -23.1943 -22.9863 -22.9863 -9.5025 -9.5025 -9.1194 -9.1194 -7.3645 -7.3645 -7.2053 -7.2053 -6.6885 -6.6885 -6.4545 -6.4545 -4.8680 -4.8680 -4.5973 -4.5973 -4.5490 -4.5490 -4.3243 -4.3243 -2.5519 -2.5519 -2.1685 -2.1685 9.9804 9.9804 10.6885 10.6885 k = 0.5000 0.2982 0.0100 ( 2654 PWs) bands (ev): -27.0594 -27.0594 -26.9539 -26.9539 -23.1941 -23.1941 -22.9866 -22.9866 -9.5021 -9.5021 -9.1199 -9.1199 -7.3642 -7.3642 -7.2053 -7.2053 -6.6883 -6.6883 -6.4549 -6.4549 -4.8675 -4.8675 -4.5977 -4.5977 -4.5491 -4.5491 -4.3247 -4.3247 -2.5513 -2.5513 -2.1688 -2.1688 9.9811 9.9811 10.6897 10.6897 k = 0.5000 0.2982 0.0200 ( 2656 PWs) bands (ev): -27.0590 -27.0590 -26.9544 -26.9544 -23.1933 -23.1933 -22.9874 -22.9874 -9.5008 -9.5008 -9.1217 -9.1217 -7.3633 -7.3633 -7.2054 -7.2054 -6.6875 -6.6875 -6.4560 -6.4560 -4.8662 -4.8662 -4.5987 -4.5987 -4.5492 -4.5492 -4.3259 -4.3259 -2.5494 -2.5494 -2.1700 -2.1700 9.9831 9.9831 10.6933 10.6933 k = 0.5000 0.2982 0.0300 ( 2656 PWs) bands (ev): -27.0584 -27.0584 -26.9551 -26.9551 -23.1919 -23.1919 -22.9887 -22.9887 -9.4987 -9.4987 -9.1245 -9.1245 -7.3616 -7.3616 -7.2054 -7.2054 -6.6862 -6.6862 -6.4579 -6.4579 -4.8639 -4.8639 -4.6004 -4.6004 -4.5493 -4.5493 -4.3279 -4.3279 -2.5463 -2.5463 -2.1718 -2.1718 9.9865 9.9865 10.6992 10.6992 k = 0.5000 0.2982 0.0400 ( 2652 PWs) bands (ev): -27.0575 -27.0575 -26.9560 -26.9560 -23.1901 -23.1901 -22.9905 -22.9905 -9.4957 -9.4957 -9.1285 -9.1285 -7.3594 -7.3594 -7.2055 -7.2055 -6.6843 -6.6843 -6.4605 -6.4605 -4.8608 -4.8608 -4.6027 -4.6027 -4.5494 -4.5494 -4.3307 -4.3307 -2.5419 -2.5419 -2.1745 -2.1745 9.9912 9.9912 10.7075 10.7075 k = 0.5000 0.2982 0.0500 ( 2642 PWs) bands (ev): -27.0563 -27.0563 -26.9573 -26.9573 -23.1877 -23.1877 -22.9928 -22.9928 -9.4919 -9.4919 -9.1335 -9.1335 -7.3565 -7.3565 -7.2057 -7.2057 -6.6820 -6.6820 -6.4638 -6.4638 -4.8569 -4.8569 -4.6057 -4.6057 -4.5495 -4.5495 -4.3342 -4.3342 -2.5364 -2.5364 -2.1778 -2.1778 9.9973 9.9973 10.7180 10.7180 k = 0.5000 0.2982 0.0600 ( 2638 PWs) bands (ev): -27.0549 -27.0549 -26.9588 -26.9588 -23.1848 -23.1848 -22.9956 -22.9956 -9.4873 -9.4873 -9.1395 -9.1395 -7.3531 -7.3531 -7.2060 -7.2060 -6.6791 -6.6791 -6.4678 -6.4678 -4.8522 -4.8522 -4.6094 -4.6094 -4.5493 -4.5493 -4.3385 -4.3385 -2.5298 -2.5298 -2.1819 -2.1819 10.0047 10.0047 10.7309 10.7309 k = 0.5000 0.2982 0.0700 ( 2638 PWs) bands (ev): -27.0533 -27.0533 -26.9605 -26.9605 -23.1814 -23.1814 -22.9989 -22.9989 -9.4819 -9.4819 -9.1466 -9.1466 -7.3491 -7.3491 -7.2064 -7.2064 -6.6758 -6.6758 -6.4724 -6.4724 -4.8468 -4.8468 -4.6137 -4.6137 -4.5490 -4.5490 -4.3436 -4.3436 -2.5221 -2.5221 -2.1867 -2.1867 10.0134 10.0134 10.7459 10.7459 k = 0.5000 0.2982 0.0800 ( 2654 PWs) bands (ev): -27.0515 -27.0515 -26.9625 -26.9625 -23.1776 -23.1776 -23.0026 -23.0026 -9.4757 -9.4757 -9.1546 -9.1546 -7.3447 -7.3447 -7.2071 -7.2071 -6.6720 -6.6720 -6.4776 -6.4776 -4.8408 -4.8408 -4.6186 -4.6186 -4.5483 -4.5483 -4.3493 -4.3493 -2.5134 -2.5134 -2.1923 -2.1923 10.0236 10.0236 10.7631 10.7631 k = 0.5000 0.2982 0.0900 ( 2656 PWs) bands (ev): -27.0494 -27.0494 -26.9648 -26.9648 -23.1733 -23.1733 -23.0068 -23.0068 -9.4688 -9.4688 -9.1634 -9.1634 -7.3397 -7.3397 -7.2080 -7.2080 -6.6678 -6.6678 -6.4833 -6.4833 -4.8342 -4.8342 -4.6241 -4.6241 -4.5471 -4.5471 -4.3557 -4.3557 -2.5038 -2.5038 -2.1986 -2.1986 10.0351 10.0351 10.7452 10.7452 k = 0.5000 0.2982 0.1000 ( 2664 PWs) bands (ev): -27.0471 -27.0471 -26.9672 -26.9672 -23.1686 -23.1686 -23.0115 -23.0115 -9.4612 -9.4612 -9.1731 -9.1731 -7.3342 -7.3342 -7.2092 -7.2092 -6.6631 -6.6631 -6.4894 -6.4894 -4.8272 -4.8272 -4.6301 -4.6301 -4.5455 -4.5455 -4.3627 -4.3627 -2.4934 -2.4934 -2.2056 -2.2056 10.0479 10.0479 10.7115 10.7115 k = 0.5000 0.2982 0.1100 ( 2664 PWs) bands (ev): -27.0446 -27.0446 -26.9699 -26.9699 -23.1635 -23.1635 -23.0165 -23.0165 -9.4528 -9.4528 -9.1835 -9.1835 -7.3284 -7.3284 -7.2106 -7.2106 -6.6580 -6.6580 -6.4960 -6.4960 -4.8197 -4.8197 -4.6366 -4.6366 -4.5434 -4.5434 -4.3703 -4.3703 -2.4822 -2.4822 -2.2132 -2.2132 10.0622 10.0622 10.6768 10.6768 k = 0.5000 0.2982 0.1200 ( 2662 PWs) bands (ev): -27.0419 -27.0419 -26.9728 -26.9728 -23.1580 -23.1580 -23.0218 -23.0218 -9.4438 -9.4438 -9.1946 -9.1946 -7.3223 -7.3223 -7.2125 -7.2125 -6.6526 -6.6526 -6.5030 -6.5030 -4.8119 -4.8119 -4.6436 -4.6436 -4.5405 -4.5405 -4.3784 -4.3784 -2.4704 -2.4704 -2.2216 -2.2216 10.0778 10.0778 10.6416 10.6416 k = 0.5000 0.2982 0.1299 ( 2662 PWs) bands (ev): -27.0391 -27.0391 -26.9758 -26.9758 -23.1522 -23.1522 -23.0276 -23.0276 -9.4341 -9.4341 -9.2062 -9.2062 -7.3158 -7.3158 -7.2147 -7.2147 -6.6467 -6.6467 -6.5102 -6.5102 -4.8038 -4.8038 -4.6509 -4.6509 -4.5370 -4.5370 -4.3870 -4.3870 -2.4580 -2.4580 -2.2305 -2.2305 10.0947 10.0947 10.6061 10.6061 k = 0.5000 0.2982 0.1399 ( 2654 PWs) bands (ev): -27.0361 -27.0361 -26.9789 -26.9789 -23.1460 -23.1460 -23.0336 -23.0336 -9.4238 -9.4238 -9.2183 -9.2183 -7.3091 -7.3091 -7.2174 -7.2174 -6.6405 -6.6405 -6.5177 -6.5177 -4.7955 -4.7955 -4.6586 -4.6586 -4.5328 -4.5328 -4.3960 -4.3960 -2.4451 -2.4451 -2.2401 -2.2401 10.1131 10.1131 10.5705 10.5705 k = 0.5000 0.2982 0.1499 ( 2656 PWs) bands (ev): -27.0329 -27.0329 -26.9823 -26.9823 -23.1396 -23.1396 -23.0400 -23.0400 -9.4130 -9.4130 -9.2309 -9.2309 -7.3023 -7.3023 -7.2205 -7.2205 -6.6340 -6.6340 -6.5255 -6.5255 -4.7871 -4.7871 -4.6666 -4.6666 -4.5278 -4.5278 -4.4054 -4.4054 -2.4319 -2.4319 -2.2503 -2.2503 10.1328 10.1328 10.5352 10.5352 k = 0.5000 0.2982 0.1599 ( 2652 PWs) bands (ev): -27.0296 -27.0296 -26.9857 -26.9857 -23.1329 -23.1329 -23.0465 -23.0465 -9.4016 -9.4016 -9.2439 -9.2439 -7.2953 -7.2953 -7.2241 -7.2241 -6.6272 -6.6272 -6.5334 -6.5334 -4.7785 -4.7785 -4.6748 -4.6748 -4.5221 -4.5221 -4.4150 -4.4150 -2.4184 -2.4184 -2.2611 -2.2611 10.1538 10.1538 10.5004 10.5004 k = 0.5000 0.2982 0.1699 ( 2652 PWs) bands (ev): -27.0261 -27.0261 -26.9892 -26.9892 -23.1260 -23.1260 -23.0534 -23.0534 -9.3897 -9.3897 -9.2572 -9.2572 -7.2883 -7.2883 -7.2281 -7.2281 -6.6202 -6.6202 -6.5414 -6.5414 -4.7699 -4.7699 -4.6831 -4.6831 -4.5157 -4.5157 -4.4249 -4.4249 -2.4046 -2.4046 -2.2724 -2.2724 10.1762 10.1762 10.4660 10.4660 k = 0.5000 0.2982 0.1799 ( 2646 PWs) bands (ev): -27.0226 -27.0226 -26.9928 -26.9928 -23.1189 -23.1189 -23.0604 -23.0604 -9.3774 -9.3774 -9.2706 -9.2706 -7.2813 -7.2813 -7.2326 -7.2326 -6.6129 -6.6129 -6.5495 -6.5495 -4.7612 -4.7612 -4.6917 -4.6917 -4.5085 -4.5085 -4.4348 -4.4348 -2.3907 -2.3907 -2.2842 -2.2842 10.1999 10.1999 10.4324 10.4324 k = 0.5000 0.2982 0.1899 ( 2648 PWs) bands (ev): -27.0190 -27.0190 -26.9965 -26.9965 -23.1117 -23.1117 -23.0675 -23.0675 -9.3648 -9.3648 -9.2842 -9.2842 -7.2743 -7.2743 -7.2375 -7.2375 -6.6054 -6.6054 -6.5576 -6.5576 -4.7525 -4.7525 -4.7003 -4.7003 -4.5008 -4.5008 -4.4449 -4.4449 -2.3768 -2.3768 -2.2965 -2.2965 10.2248 10.2248 10.3996 10.3996 k = 0.5000 0.2982 0.1999 ( 2648 PWs) bands (ev): -27.0153 -27.0153 -27.0003 -27.0003 -23.1044 -23.1044 -23.0748 -23.0748 -9.3518 -9.3518 -9.2979 -9.2979 -7.2676 -7.2676 -7.2428 -7.2428 -6.5977 -6.5977 -6.5657 -6.5657 -4.7438 -4.7438 -4.7089 -4.7089 -4.4924 -4.4924 -4.4548 -4.4548 -2.3629 -2.3629 -2.3092 -2.3092 10.2511 10.2511 10.3678 10.3678 k = 0.5000 0.2982 0.2099 ( 2644 PWs) bands (ev): -27.0116 -27.0116 -27.0040 -27.0040 -23.0970 -23.0970 -23.0822 -23.0822 -9.3386 -9.3386 -9.3115 -9.3115 -7.2609 -7.2609 -7.2485 -7.2485 -6.5899 -6.5899 -6.5739 -6.5739 -4.7351 -4.7351 -4.7176 -4.7176 -4.4835 -4.4835 -4.4647 -4.4647 -2.3492 -2.3492 -2.3222 -2.3222 10.2785 10.2785 10.3369 10.3369 k = 0.5000 0.2982 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2546 -7.2546 -7.2546 -7.2546 -6.5819 -6.5819 -6.5819 -6.5819 -4.7264 -4.7264 -4.7264 -4.7264 -4.4743 -4.4743 -4.4743 -4.4743 -2.3356 -2.3356 -2.3356 -2.3356 10.3072 10.3072 10.3072 10.3072 k = 0.5000 0.2982 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2546 -7.2546 -7.2546 -7.2546 -6.5819 -6.5819 -6.5819 -6.5819 -4.7264 -4.7264 -4.7264 -4.7264 -4.4743 -4.4743 -4.4743 -4.4743 -2.3356 -2.3356 -2.3356 -2.3356 10.3072 10.3072 10.3072 10.3072 k = 0.5000 0.2982 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2546 -7.2546 -7.2546 -7.2546 -6.5819 -6.5819 -6.5819 -6.5819 -4.7264 -4.7264 -4.7264 -4.7264 -4.4743 -4.4743 -4.4743 -4.4743 -2.3356 -2.3356 -2.3356 -2.3356 10.3072 10.3072 10.3072 10.3072 k = 0.5000 0.2982 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2546 -7.2546 -7.2546 -7.2546 -6.5819 -6.5819 -6.5819 -6.5819 -4.7264 -4.7264 -4.7264 -4.7264 -4.4743 -4.4743 -4.4743 -4.4743 -2.3356 -2.3356 -2.3356 -2.3356 10.3072 10.3072 10.3072 10.3072 k = 0.5052 0.2895 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2544 -7.2544 -7.2543 -7.2543 -6.5826 -6.5826 -6.5825 -6.5825 -4.7266 -4.7266 -4.7261 -4.7261 -4.4745 -4.4745 -4.4740 -4.4740 -2.3356 -2.3356 -2.3356 -2.3356 10.3078 10.3078 10.3079 10.3079 k = 0.5104 0.2808 0.2199 ( 2648 PWs) bands (ev): -27.0077 -27.0077 -27.0077 -27.0077 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2536 -7.2536 -7.2534 -7.2534 -6.5845 -6.5845 -6.5842 -6.5842 -4.7267 -4.7267 -4.7257 -4.7257 -4.4747 -4.4747 -4.4737 -4.4737 -2.3356 -2.3356 -2.3356 -2.3356 10.3099 10.3099 10.3100 10.3100 k = 0.5156 0.2720 0.2199 ( 2654 PWs) bands (ev): -27.0076 -27.0076 -27.0076 -27.0076 -23.0896 -23.0896 -23.0895 -23.0895 -9.3251 -9.3251 -9.3251 -9.3251 -7.2523 -7.2523 -7.2520 -7.2520 -6.5877 -6.5877 -6.5873 -6.5873 -4.7269 -4.7269 -4.7253 -4.7253 -4.4749 -4.4749 -4.4735 -4.4735 -2.3357 -2.3357 -2.3356 -2.3356 10.3134 10.3134 10.3135 10.3135 k = 0.5208 0.2633 0.2199 ( 2666 PWs) bands (ev): -27.0075 -27.0075 -27.0075 -27.0075 -23.0895 -23.0895 -23.0895 -23.0895 -9.3251 -9.3251 -9.3251 -9.3251 -7.2504 -7.2504 -7.2501 -7.2501 -6.5920 -6.5920 -6.5915 -6.5915 -4.7269 -4.7269 -4.7248 -4.7248 -4.4750 -4.4750 -4.4731 -4.4731 -2.3357 -2.3357 -2.3356 -2.3356 10.3183 10.3183 10.3184 10.3184 k = 0.5260 0.2546 0.2199 ( 2662 PWs) bands (ev): -27.0073 -27.0073 -27.0073 -27.0073 -23.0895 -23.0895 -23.0895 -23.0895 -9.3251 -9.3251 -9.3250 -9.3250 -7.2480 -7.2480 -7.2476 -7.2476 -6.5975 -6.5975 -6.5969 -6.5969 -4.7269 -4.7269 -4.7243 -4.7243 -4.4752 -4.4752 -4.4728 -4.4728 -2.3358 -2.3358 -2.3357 -2.3357 10.3246 10.3246 10.3247 10.3247 k = 0.5312 0.2459 0.2199 ( 2668 PWs) bands (ev): -27.0070 -27.0070 -27.0070 -27.0070 -23.0894 -23.0894 -23.0894 -23.0894 -9.3250 -9.3250 -9.3250 -9.3250 -7.2451 -7.2451 -7.2447 -7.2447 -6.6042 -6.6042 -6.6034 -6.6034 -4.7268 -4.7268 -4.7237 -4.7237 -4.4753 -4.4753 -4.4724 -4.4724 -2.3359 -2.3359 -2.3358 -2.3358 10.3323 10.3323 10.3324 10.3324 k = 0.5364 0.2372 0.2199 ( 2660 PWs) bands (ev): -27.0068 -27.0068 -27.0068 -27.0068 -23.0894 -23.0894 -23.0894 -23.0894 -9.3250 -9.3250 -9.3249 -9.3249 -7.2417 -7.2417 -7.2411 -7.2411 -6.6119 -6.6119 -6.6110 -6.6110 -4.7267 -4.7267 -4.7231 -4.7231 -4.4753 -4.4753 -4.4720 -4.4720 -2.3360 -2.3360 -2.3358 -2.3358 10.3414 10.3414 10.3415 10.3415 k = 0.5416 0.2285 0.2199 ( 2652 PWs) bands (ev): -27.0064 -27.0064 -27.0064 -27.0064 -23.0893 -23.0893 -23.0893 -23.0893 -9.3249 -9.3249 -9.3249 -9.3249 -7.2378 -7.2378 -7.2371 -7.2371 -6.6207 -6.6207 -6.6196 -6.6196 -4.7266 -4.7266 -4.7225 -4.7225 -4.4753 -4.4753 -4.4715 -4.4715 -2.3361 -2.3361 -2.3359 -2.3359 10.3518 10.3518 10.3520 10.3520 k = 0.5468 0.2198 0.2199 ( 2644 PWs) bands (ev): -27.0061 -27.0061 -27.0061 -27.0061 -23.0892 -23.0892 -23.0892 -23.0892 -9.3249 -9.3249 -9.3248 -9.3248 -7.2334 -7.2334 -7.2326 -7.2326 -6.6305 -6.6305 -6.6293 -6.6293 -4.7264 -4.7264 -4.7218 -4.7218 -4.4753 -4.4753 -4.4710 -4.4710 -2.3363 -2.3363 -2.3361 -2.3361 10.3637 10.3637 10.3638 10.3638 k = 0.5520 0.2110 0.2199 ( 2640 PWs) bands (ev): -27.0057 -27.0057 -27.0057 -27.0057 -23.0892 -23.0892 -23.0892 -23.0892 -9.3248 -9.3248 -9.3247 -9.3247 -7.2284 -7.2284 -7.2275 -7.2275 -6.6413 -6.6413 -6.6398 -6.6398 -4.7263 -4.7263 -4.7212 -4.7212 -4.4752 -4.4752 -4.4704 -4.4704 -2.3364 -2.3364 -2.3362 -2.3362 10.3770 10.3770 10.3771 10.3771 k = 0.5572 0.2023 0.2199 ( 2636 PWs) bands (ev): -27.0053 -27.0053 -27.0053 -27.0053 -23.0891 -23.0891 -23.0891 -23.0891 -9.3248 -9.3248 -9.3247 -9.3247 -7.2231 -7.2231 -7.2220 -7.2220 -6.6529 -6.6529 -6.6513 -6.6513 -4.7261 -4.7261 -4.7205 -4.7205 -4.4750 -4.4750 -4.4698 -4.4698 -2.3366 -2.3366 -2.3364 -2.3364 10.3917 10.3917 10.3918 10.3918 k = 0.5624 0.1936 0.2199 ( 2638 PWs) bands (ev): -27.0049 -27.0049 -27.0049 -27.0049 -23.0890 -23.0890 -23.0890 -23.0890 -9.3247 -9.3247 -9.3246 -9.3246 -7.2172 -7.2172 -7.2160 -7.2160 -6.6653 -6.6653 -6.6635 -6.6635 -4.7259 -4.7259 -4.7198 -4.7198 -4.4748 -4.4748 -4.4691 -4.4691 -2.3368 -2.3368 -2.3366 -2.3366 10.4077 10.4077 10.4079 10.4079 k = 0.5676 0.1849 0.2199 ( 2640 PWs) bands (ev): -27.0045 -27.0045 -27.0045 -27.0045 -23.0890 -23.0890 -23.0889 -23.0889 -9.3247 -9.3247 -9.3246 -9.3246 -7.2110 -7.2110 -7.2096 -7.2096 -6.6784 -6.6784 -6.6764 -6.6764 -4.7258 -4.7258 -4.7192 -4.7192 -4.4744 -4.4744 -4.4683 -4.4683 -2.3371 -2.3371 -2.3368 -2.3368 10.4252 10.4252 10.4253 10.4253 k = 0.5727 0.1762 0.2199 ( 2640 PWs) bands (ev): -27.0040 -27.0040 -27.0040 -27.0040 -23.0889 -23.0889 -23.0889 -23.0889 -9.3246 -9.3246 -9.3245 -9.3245 -7.2044 -7.2044 -7.2028 -7.2028 -6.6921 -6.6921 -6.6899 -6.6899 -4.7257 -4.7257 -4.7186 -4.7186 -4.4740 -4.4740 -4.4674 -4.4674 -2.3373 -2.3373 -2.3370 -2.3370 10.4440 10.4440 10.4442 10.4442 k = 0.5779 0.1675 0.2199 ( 2640 PWs) bands (ev): -27.0036 -27.0036 -27.0036 -27.0036 -23.0888 -23.0888 -23.0888 -23.0888 -9.3246 -9.3246 -9.3245 -9.3245 -7.1973 -7.1973 -7.1956 -7.1956 -6.7064 -6.7064 -6.7039 -6.7039 -4.7256 -4.7256 -4.7180 -4.7180 -4.4735 -4.4735 -4.4665 -4.4665 -2.3376 -2.3376 -2.3373 -2.3373 10.4643 10.4643 10.4644 10.4644 k = 0.5831 0.1588 0.2199 ( 2652 PWs) bands (ev): -27.0031 -27.0031 -27.0031 -27.0031 -23.0888 -23.0888 -23.0887 -23.0887 -9.3245 -9.3245 -9.3244 -9.3244 -7.1900 -7.1900 -7.1880 -7.1880 -6.7212 -6.7212 -6.7184 -6.7184 -4.7255 -4.7255 -4.7175 -4.7175 -4.4729 -4.4729 -4.4654 -4.4654 -2.3380 -2.3380 -2.3376 -2.3376 10.4859 10.4859 10.4861 10.4861 k = 0.5883 0.1501 0.2199 ( 2644 PWs) bands (ev): -27.0027 -27.0027 -27.0027 -27.0027 -23.0887 -23.0887 -23.0887 -23.0887 -9.3245 -9.3245 -9.3244 -9.3244 -7.1823 -7.1823 -7.1801 -7.1801 -6.7362 -6.7362 -6.7332 -6.7332 -4.7255 -4.7255 -4.7171 -4.7171 -4.4721 -4.4721 -4.4642 -4.4642 -2.3384 -2.3384 -2.3379 -2.3379 10.5089 10.5089 10.5091 10.5091 k = 0.5935 0.1413 0.2199 ( 2644 PWs) bands (ev): -27.0022 -27.0022 -27.0022 -27.0022 -23.0886 -23.0886 -23.0886 -23.0886 -9.3245 -9.3245 -9.3244 -9.3244 -7.1744 -7.1744 -7.1719 -7.1719 -6.7515 -6.7515 -6.7481 -6.7481 -4.7255 -4.7255 -4.7167 -4.7167 -4.4712 -4.4712 -4.4629 -4.4629 -2.3388 -2.3388 -2.3383 -2.3383 10.5332 10.5332 10.5335 10.5335 k = 0.5987 0.1326 0.2199 ( 2644 PWs) bands (ev): -27.0018 -27.0018 -27.0018 -27.0018 -23.0886 -23.0886 -23.0886 -23.0886 -9.3245 -9.3245 -9.3244 -9.3244 -7.1663 -7.1663 -7.1634 -7.1634 -6.7669 -6.7669 -6.7631 -6.7631 -4.7256 -4.7256 -4.7164 -4.7164 -4.4701 -4.4701 -4.4615 -4.4615 -2.3392 -2.3392 -2.3387 -2.3387 10.5589 10.5589 10.5592 10.5592 k = 0.6039 0.1239 0.2199 ( 2646 PWs) bands (ev): -27.0014 -27.0014 -27.0014 -27.0014 -23.0886 -23.0886 -23.0885 -23.0885 -9.3245 -9.3245 -9.3244 -9.3244 -7.1580 -7.1580 -7.1548 -7.1548 -6.7822 -6.7822 -6.7781 -6.7781 -4.7258 -4.7258 -4.7161 -4.7161 -4.4689 -4.4689 -4.4599 -4.4599 -2.3397 -2.3397 -2.3392 -2.3392 10.5860 10.5860 10.5862 10.5862 k = 0.6091 0.1152 0.2199 ( 2646 PWs) bands (ev): -27.0010 -27.0010 -27.0010 -27.0010 -23.0885 -23.0885 -23.0885 -23.0885 -9.3245 -9.3245 -9.3244 -9.3244 -7.1497 -7.1497 -7.1461 -7.1461 -6.7974 -6.7974 -6.7929 -6.7929 -4.7260 -4.7260 -4.7160 -4.7160 -4.4675 -4.4675 -4.4582 -4.4582 -2.3402 -2.3402 -2.3397 -2.3397 10.6143 10.6143 10.6146 10.6146 k = 0.6143 0.1065 0.2199 ( 2650 PWs) bands (ev): -27.0006 -27.0006 -27.0006 -27.0006 -23.0885 -23.0885 -23.0885 -23.0885 -9.3245 -9.3245 -9.3244 -9.3244 -7.1414 -7.1414 -7.1373 -7.1373 -6.8123 -6.8123 -6.8072 -6.8072 -4.7262 -4.7262 -4.7159 -4.7159 -4.4660 -4.4660 -4.4564 -4.4564 -2.3407 -2.3407 -2.3402 -2.3402 10.6439 10.6439 10.6442 10.6442 k = 0.6195 0.0978 0.2199 ( 2650 PWs) bands (ev): -27.0003 -27.0003 -27.0003 -27.0003 -23.0885 -23.0885 -23.0885 -23.0885 -9.3246 -9.3246 -9.3244 -9.3244 -7.1333 -7.1333 -7.1287 -7.1287 -6.8267 -6.8267 -6.8210 -6.8210 -4.7265 -4.7265 -4.7159 -4.7159 -4.4643 -4.4643 -4.4544 -4.4544 -2.3413 -2.3413 -2.3407 -2.3407 10.6747 10.6747 10.6751 10.6751 k = 0.6247 0.0891 0.2199 ( 2654 PWs) bands (ev): -27.0000 -27.0000 -27.0000 -27.0000 -23.0886 -23.0886 -23.0886 -23.0886 -9.3247 -9.3247 -9.3245 -9.3245 -7.1256 -7.1256 -7.1203 -7.1203 -6.8403 -6.8403 -6.8341 -6.8341 -4.7269 -4.7269 -4.7160 -4.7160 -4.4625 -4.4625 -4.4522 -4.4522 -2.3419 -2.3419 -2.3413 -2.3413 10.7066 10.7066 10.7070 10.7070 k = 0.6299 0.0803 0.2199 ( 2650 PWs) bands (ev): -26.9998 -26.9998 -26.9998 -26.9998 -23.0886 -23.0886 -23.0886 -23.0886 -9.3247 -9.3247 -9.3246 -9.3246 -7.1183 -7.1183 -7.1124 -7.1124 -6.8530 -6.8530 -6.8461 -6.8461 -4.7273 -4.7273 -4.7161 -4.7161 -4.4604 -4.4604 -4.4499 -4.4499 -2.3426 -2.3426 -2.3419 -2.3419 10.7395 10.7395 10.7399 10.7399 k = 0.6351 0.0716 0.2199 ( 2646 PWs) bands (ev): -26.9996 -26.9996 -26.9996 -26.9996 -23.0887 -23.0887 -23.0887 -23.0887 -9.3249 -9.3249 -9.3247 -9.3247 -7.1117 -7.1117 -7.1051 -7.1051 -6.8645 -6.8645 -6.8568 -6.8568 -4.7277 -4.7277 -4.7163 -4.7163 -4.4582 -4.4582 -4.4475 -4.4475 -2.3433 -2.3433 -2.3426 -2.3426 10.7732 10.7732 10.7736 10.7736 k = 0.6403 0.0629 0.2199 ( 2634 PWs) bands (ev): -26.9995 -26.9995 -26.9995 -26.9995 -23.0887 -23.0887 -23.0887 -23.0887 -9.3250 -9.3250 -9.3248 -9.3248 -7.1060 -7.1060 -7.0986 -7.0986 -6.8744 -6.8744 -6.8660 -6.8660 -4.7281 -4.7281 -4.7165 -4.7165 -4.4559 -4.4559 -4.4449 -4.4449 -2.3440 -2.3440 -2.3433 -2.3433 10.8074 10.8074 10.8079 10.8079 k = 0.6455 0.0542 0.2199 ( 2634 PWs) bands (ev): -26.9994 -26.9994 -26.9994 -26.9994 -23.0889 -23.0889 -23.0889 -23.0889 -9.3251 -9.3251 -9.3249 -9.3249 -7.1015 -7.1015 -7.0934 -7.0934 -6.8824 -6.8824 -6.8733 -6.8733 -4.7286 -4.7286 -4.7167 -4.7167 -4.4534 -4.4534 -4.4422 -4.4422 -2.3447 -2.3447 -2.3440 -2.3440 10.8417 10.8417 10.8423 10.8423 k = 0.6507 0.0455 0.2199 ( 2638 PWs) bands (ev): -26.9995 -26.9995 -26.9995 -26.9995 -23.0890 -23.0890 -23.0890 -23.0890 -9.3253 -9.3253 -9.3251 -9.3251 -7.0984 -7.0984 -7.0897 -7.0897 -6.8883 -6.8883 -6.8785 -6.8785 -4.7290 -4.7290 -4.7170 -4.7170 -4.4507 -4.4507 -4.4393 -4.4393 -2.3455 -2.3455 -2.3448 -2.3448 10.8755 10.8755 10.8761 10.8761 k = 0.6559 0.0368 0.2199 ( 2630 PWs) bands (ev): -26.9996 -26.9996 -26.9996 -26.9996 -23.0892 -23.0892 -23.0892 -23.0892 -9.3255 -9.3255 -9.3253 -9.3253 -7.0968 -7.0968 -7.0876 -7.0876 -6.8916 -6.8916 -6.8813 -6.8813 -4.7294 -4.7294 -4.7172 -4.7172 -4.4479 -4.4479 -4.4364 -4.4364 -2.3463 -2.3463 -2.3455 -2.3455 10.9077 10.9077 10.9084 10.9084 k = 0.6611 0.0281 0.2199 ( 2622 PWs) bands (ev): -26.9997 -26.9997 -26.9997 -26.9997 -23.0893 -23.0893 -23.0893 -23.0893 -9.3257 -9.3257 -9.3255 -9.3255 -7.0967 -7.0967 -7.0872 -7.0872 -6.8923 -6.8923 -6.8817 -6.8817 -4.7298 -4.7298 -4.7175 -4.7175 -4.4449 -4.4449 -4.4333 -4.4333 -2.3472 -2.3472 -2.3464 -2.3464 10.9367 10.9367 10.9376 10.9376 k = 0.3389-0.5683 0.2199 ( 2622 PWs) bands (ev): -26.9997 -26.9997 -26.9997 -26.9997 -23.0893 -23.0893 -23.0893 -23.0893 -9.3257 -9.3257 -9.3255 -9.3255 -7.0967 -7.0967 -7.0872 -7.0872 -6.8923 -6.8923 -6.8817 -6.8817 -4.7298 -4.7298 -4.7175 -4.7175 -4.4449 -4.4449 -4.4333 -4.4333 -2.3472 -2.3472 -2.3464 -2.3464 10.9367 10.9367 10.9376 10.9376 k = 0.3337-0.5596 0.2199 ( 2630 PWs) bands (ev): -27.0000 -27.0000 -27.0000 -27.0000 -23.0896 -23.0896 -23.0896 -23.0896 -9.3260 -9.3260 -9.3257 -9.3257 -7.0982 -7.0982 -7.0886 -7.0886 -6.8905 -6.8905 -6.8797 -6.8797 -4.7301 -4.7301 -4.7177 -4.7177 -4.4419 -4.4419 -4.4301 -4.4301 -2.3481 -2.3481 -2.3472 -2.3472 10.9601 10.9601 10.9611 10.9611 k = 0.3285-0.5508 0.2199 ( 2638 PWs) bands (ev): -27.0004 -27.0004 -27.0004 -27.0004 -23.0898 -23.0898 -23.0898 -23.0898 -9.3263 -9.3263 -9.3260 -9.3260 -7.1010 -7.1010 -7.0915 -7.0915 -6.8862 -6.8862 -6.8755 -6.8755 -4.7303 -4.7303 -4.7178 -4.7178 -4.4387 -4.4387 -4.4268 -4.4268 -2.3490 -2.3490 -2.3481 -2.3481 10.9736 10.9736 10.9748 10.9748 k = 0.3233-0.5421 0.2199 ( 2634 PWs) bands (ev): -27.0008 -27.0008 -27.0008 -27.0008 -23.0901 -23.0901 -23.0901 -23.0901 -9.3266 -9.3266 -9.3263 -9.3263 -7.1048 -7.1048 -7.0955 -7.0955 -6.8797 -6.8797 -6.8693 -6.8693 -4.7305 -4.7305 -4.7179 -4.7179 -4.4354 -4.4354 -4.4234 -4.4234 -2.3499 -2.3499 -2.3489 -2.3489 10.9719 10.9719 10.9732 10.9732 k = 0.3181-0.5333 0.2199 ( 2630 PWs) bands (ev): -27.0014 -27.0014 -27.0014 -27.0014 -23.0905 -23.0905 -23.0904 -23.0904 -9.3269 -9.3269 -9.3266 -9.3266 -7.1092 -7.1092 -7.1003 -7.1003 -6.8715 -6.8715 -6.8614 -6.8614 -4.7305 -4.7305 -4.7179 -4.7179 -4.4320 -4.4320 -4.4199 -4.4199 -2.3508 -2.3508 -2.3498 -2.3498 10.9498 10.9498 10.9512 10.9512 k = 0.3128-0.5246 0.2199 ( 2626 PWs) bands (ev): -27.0020 -27.0020 -27.0020 -27.0020 -23.0908 -23.0908 -23.0908 -23.0908 -9.3272 -9.3272 -9.3269 -9.3269 -7.1141 -7.1141 -7.1056 -7.1056 -6.8618 -6.8618 -6.8521 -6.8521 -4.7304 -4.7304 -4.7177 -4.7177 -4.4285 -4.4285 -4.4164 -4.4164 -2.3518 -2.3518 -2.3508 -2.3508 10.9056 10.9056 10.9069 10.9069 k = 0.3076-0.5158 0.2199 ( 2622 PWs) bands (ev): -27.0028 -27.0028 -27.0028 -27.0028 -23.0912 -23.0912 -23.0912 -23.0912 -9.3276 -9.3276 -9.3273 -9.3273 -7.1191 -7.1191 -7.1109 -7.1109 -6.8509 -6.8509 -6.8416 -6.8416 -4.7302 -4.7302 -4.7175 -4.7175 -4.4250 -4.4250 -4.4128 -4.4128 -2.3527 -2.3527 -2.3517 -2.3517 10.8416 10.8416 10.8428 10.8428 k = 0.3024-0.5071 0.2199 ( 2622 PWs) bands (ev): -27.0036 -27.0036 -27.0036 -27.0036 -23.0916 -23.0916 -23.0916 -23.0916 -9.3280 -9.3280 -9.3276 -9.3276 -7.1239 -7.1239 -7.1161 -7.1161 -6.8391 -6.8391 -6.8301 -6.8301 -4.7298 -4.7298 -4.7171 -4.7171 -4.4214 -4.4214 -4.4091 -4.4091 -2.3537 -2.3537 -2.3527 -2.3527 10.7625 10.7625 10.7635 10.7635 k = 0.2972-0.4984 0.2199 ( 2626 PWs) bands (ev): -27.0046 -27.0046 -27.0046 -27.0046 -23.0921 -23.0921 -23.0921 -23.0921 -9.3284 -9.3284 -9.3281 -9.3281 -7.1284 -7.1284 -7.1210 -7.1210 -6.8265 -6.8265 -6.8179 -6.8179 -4.7292 -4.7292 -4.7165 -4.7165 -4.4177 -4.4177 -4.4054 -4.4054 -2.3547 -2.3547 -2.3536 -2.3536 10.6725 10.6725 10.6734 10.6734 k = 0.2920-0.4896 0.2199 ( 2632 PWs) bands (ev): -27.0057 -27.0057 -27.0057 -27.0057 -23.0926 -23.0926 -23.0926 -23.0926 -9.3289 -9.3289 -9.3285 -9.3285 -7.1325 -7.1325 -7.1253 -7.1253 -6.8133 -6.8133 -6.8051 -6.8051 -4.7285 -4.7285 -4.7157 -4.7157 -4.4141 -4.4141 -4.4017 -4.4017 -2.3557 -2.3557 -2.3546 -2.3546 10.5747 10.5747 10.5755 10.5755 k = 0.2868-0.4809 0.2199 ( 2636 PWs) bands (ev): -27.0070 -27.0070 -27.0070 -27.0070 -23.0932 -23.0932 -23.0932 -23.0932 -9.3294 -9.3294 -9.3290 -9.3290 -7.1358 -7.1358 -7.1290 -7.1290 -6.7997 -6.7997 -6.7917 -6.7917 -4.7275 -4.7275 -4.7148 -4.7148 -4.4104 -4.4104 -4.3980 -4.3980 -2.3568 -2.3568 -2.3556 -2.3556 10.4715 10.4715 10.4722 10.4722 k = 0.2816-0.4721 0.2199 ( 2636 PWs) bands (ev): -27.0083 -27.0083 -27.0083 -27.0083 -23.0937 -23.0937 -23.0937 -23.0937 -9.3299 -9.3299 -9.3295 -9.3295 -7.1384 -7.1384 -7.1319 -7.1319 -6.7857 -6.7857 -6.7780 -6.7780 -4.7263 -4.7263 -4.7136 -4.7136 -4.4067 -4.4067 -4.3943 -4.3943 -2.3578 -2.3578 -2.3566 -2.3566 10.3643 10.3643 10.3649 10.3649 k = 0.2763-0.4634 0.2199 ( 2632 PWs) bands (ev): -27.0097 -27.0097 -27.0097 -27.0097 -23.0944 -23.0944 -23.0944 -23.0944 -9.3304 -9.3304 -9.3300 -9.3300 -7.1402 -7.1402 -7.1339 -7.1339 -6.7714 -6.7714 -6.7639 -6.7639 -4.7249 -4.7249 -4.7122 -4.7122 -4.4030 -4.4030 -4.3906 -4.3906 -2.3588 -2.3588 -2.3576 -2.3576 10.2542 10.2542 10.2548 10.2548 k = 0.2711-0.4546 0.2199 ( 2632 PWs) bands (ev): -27.0113 -27.0113 -27.0113 -27.0113 -23.0950 -23.0950 -23.0950 -23.0950 -9.3310 -9.3310 -9.3306 -9.3306 -7.1411 -7.1411 -7.1349 -7.1349 -6.7569 -6.7569 -6.7496 -6.7496 -4.7233 -4.7233 -4.7106 -4.7106 -4.3993 -4.3993 -4.3869 -4.3869 -2.3599 -2.3599 -2.3586 -2.3586 10.1420 10.1420 10.1425 10.1425 k = 0.2659-0.4459 0.2199 ( 2640 PWs) bands (ev): -27.0130 -27.0130 -27.0130 -27.0130 -23.0957 -23.0957 -23.0957 -23.0957 -9.3316 -9.3316 -9.3312 -9.3312 -7.1409 -7.1409 -7.1350 -7.1350 -6.7422 -6.7422 -6.7352 -6.7352 -4.7214 -4.7214 -4.7087 -4.7087 -4.3956 -4.3956 -4.3832 -4.3832 -2.3609 -2.3609 -2.3597 -2.3597 10.0283 10.0283 10.0288 10.0288 k = 0.2607-0.4372 0.2199 ( 2640 PWs) bands (ev): -27.0149 -27.0149 -27.0148 -27.0148 -23.0965 -23.0965 -23.0965 -23.0965 -9.3322 -9.3322 -9.3318 -9.3318 -7.1398 -7.1398 -7.1340 -7.1340 -6.7275 -6.7275 -6.7206 -6.7206 -4.7193 -4.7193 -4.7066 -4.7066 -4.3920 -4.3920 -4.3795 -4.3795 -2.3620 -2.3620 -2.3607 -2.3607 9.9136 9.9136 9.9140 9.9140 k = 0.2555-0.4284 0.2199 ( 2650 PWs) bands (ev): -27.0168 -27.0168 -27.0168 -27.0168 -23.0973 -23.0973 -23.0972 -23.0972 -9.3328 -9.3328 -9.3324 -9.3324 -7.1376 -7.1376 -7.1320 -7.1320 -6.7127 -6.7127 -6.7060 -6.7060 -4.7169 -4.7169 -4.7042 -4.7042 -4.3884 -4.3884 -4.3759 -4.3759 -2.3631 -2.3631 -2.3617 -2.3617 9.7982 9.7982 9.7986 9.7986 k = 0.2503-0.4197 0.2199 ( 2646 PWs) bands (ev): -27.0188 -27.0188 -27.0188 -27.0188 -23.0981 -23.0981 -23.0981 -23.0981 -9.3334 -9.3334 -9.3330 -9.3330 -7.1343 -7.1343 -7.1288 -7.1288 -6.6979 -6.6979 -6.6913 -6.6913 -4.7142 -4.7142 -4.7016 -4.7016 -4.3848 -4.3848 -4.3724 -4.3724 -2.3641 -2.3641 -2.3628 -2.3628 9.6824 9.6824 9.6828 9.6828 k = 0.2451-0.4109 0.2199 ( 2644 PWs) bands (ev): -27.0210 -27.0210 -27.0210 -27.0210 -23.0989 -23.0989 -23.0989 -23.0989 -9.3341 -9.3341 -9.3337 -9.3337 -7.1299 -7.1299 -7.1245 -7.1245 -6.6831 -6.6831 -6.6767 -6.6767 -4.7113 -4.7113 -4.6987 -4.6987 -4.3813 -4.3813 -4.3689 -4.3689 -2.3652 -2.3652 -2.3638 -2.3638 9.5666 9.5666 9.5670 9.5670 k = 0.2398-0.4022 0.2199 ( 2644 PWs) bands (ev): -27.0233 -27.0233 -27.0233 -27.0233 -23.0998 -23.0998 -23.0998 -23.0998 -9.3347 -9.3347 -9.3343 -9.3343 -7.1244 -7.1244 -7.1190 -7.1190 -6.6684 -6.6684 -6.6621 -6.6621 -4.7081 -4.7081 -4.6955 -4.6955 -4.3779 -4.3779 -4.3654 -4.3654 -2.3663 -2.3663 -2.3649 -2.3649 9.4510 9.4510 9.4513 9.4513 k = 0.2346-0.3934 0.2199 ( 2652 PWs) bands (ev): -27.0257 -27.0257 -27.0257 -27.0257 -23.1007 -23.1007 -23.1007 -23.1007 -9.3354 -9.3354 -9.3350 -9.3350 -7.1177 -7.1177 -7.1125 -7.1125 -6.6538 -6.6538 -6.6476 -6.6476 -4.7046 -4.7046 -4.6921 -4.6921 -4.3745 -4.3745 -4.3621 -4.3621 -2.3674 -2.3674 -2.3660 -2.3660 9.3356 9.3356 9.3360 9.3360 k = 0.2294-0.3847 0.2199 ( 2652 PWs) bands (ev): -27.0281 -27.0281 -27.0281 -27.0281 -23.1017 -23.1017 -23.1017 -23.1017 -9.3361 -9.3361 -9.3357 -9.3357 -7.1100 -7.1100 -7.1048 -7.1048 -6.6393 -6.6393 -6.6332 -6.6332 -4.7008 -4.7008 -4.6884 -4.6884 -4.3712 -4.3712 -4.3588 -4.3588 -2.3685 -2.3685 -2.3671 -2.3671 9.2208 9.2208 9.2211 9.2211 k = 0.2242-0.3760 0.2199 ( 2656 PWs) bands (ev): -27.0307 -27.0307 -27.0307 -27.0307 -23.1027 -23.1027 -23.1027 -23.1027 -9.3368 -9.3368 -9.3364 -9.3364 -7.1011 -7.1011 -7.0960 -7.0960 -6.6250 -6.6250 -6.6189 -6.6189 -4.6968 -4.6968 -4.6844 -4.6844 -4.3680 -4.3680 -4.3556 -4.3556 -2.3697 -2.3697 -2.3682 -2.3682 9.1066 9.1066 9.1069 9.1069 k = 0.2190-0.3672 0.2199 ( 2658 PWs) bands (ev): -27.0334 -27.0334 -27.0334 -27.0334 -23.1037 -23.1037 -23.1037 -23.1037 -9.3375 -9.3375 -9.3371 -9.3371 -7.0911 -7.0911 -7.0860 -7.0860 -6.6108 -6.6108 -6.6048 -6.6048 -4.6926 -4.6926 -4.6802 -4.6802 -4.3649 -4.3649 -4.3524 -4.3524 -2.3708 -2.3708 -2.3694 -2.3694 8.9932 8.9932 8.9935 8.9935 k = 0.2138-0.3585 0.2199 ( 2658 PWs) bands (ev): -27.0362 -27.0362 -27.0362 -27.0362 -23.1047 -23.1047 -23.1047 -23.1047 -9.3383 -9.3383 -9.3378 -9.3378 -7.0800 -7.0800 -7.0750 -7.0750 -6.5968 -6.5968 -6.5909 -6.5909 -4.6881 -4.6881 -4.6757 -4.6757 -4.3618 -4.3618 -4.3494 -4.3494 -2.3720 -2.3720 -2.3705 -2.3705 8.8808 8.8808 8.8811 8.8811 k = 0.2086-0.3497 0.2199 ( 2658 PWs) bands (ev): -27.0391 -27.0391 -27.0391 -27.0391 -23.1058 -23.1058 -23.1058 -23.1058 -9.3390 -9.3390 -9.3385 -9.3385 -7.0678 -7.0678 -7.0628 -7.0628 -6.5830 -6.5830 -6.5771 -6.5771 -4.6833 -4.6833 -4.6710 -4.6710 -4.3588 -4.3588 -4.3464 -4.3464 -2.3732 -2.3732 -2.3717 -2.3717 8.7694 8.7694 8.7697 8.7697 k = 0.2033-0.3410 0.2199 ( 2662 PWs) bands (ev): -27.0420 -27.0420 -27.0420 -27.0420 -23.1069 -23.1069 -23.1069 -23.1069 -9.3397 -9.3397 -9.3392 -9.3392 -7.0546 -7.0546 -7.0497 -7.0497 -6.5694 -6.5694 -6.5636 -6.5636 -4.6783 -4.6783 -4.6661 -4.6661 -4.3560 -4.3560 -4.3435 -4.3435 -2.3744 -2.3744 -2.3729 -2.3729 8.6591 8.6591 8.6594 8.6594 k = 0.1981-0.3322 0.2199 ( 2662 PWs) bands (ev): -27.0450 -27.0450 -27.0450 -27.0450 -23.1080 -23.1080 -23.1080 -23.1080 -9.3404 -9.3404 -9.3400 -9.3400 -7.0404 -7.0404 -7.0355 -7.0355 -6.5561 -6.5561 -6.5503 -6.5503 -4.6731 -4.6731 -4.6609 -4.6609 -4.3532 -4.3532 -4.3408 -4.3408 -2.3756 -2.3756 -2.3741 -2.3741 8.5501 8.5501 8.5504 8.5504 k = 0.1929-0.3235 0.2199 ( 2658 PWs) bands (ev): -27.0481 -27.0481 -27.0481 -27.0481 -23.1091 -23.1091 -23.1091 -23.1091 -9.3411 -9.3411 -9.3407 -9.3407 -7.0252 -7.0252 -7.0203 -7.0203 -6.5431 -6.5431 -6.5373 -6.5373 -4.6677 -4.6677 -4.6555 -4.6555 -4.3505 -4.3505 -4.3381 -4.3381 -2.3769 -2.3769 -2.3754 -2.3754 8.4425 8.4425 8.4428 8.4428 k = 0.1877-0.3147 0.2199 ( 2654 PWs) bands (ev): -27.0512 -27.0512 -27.0512 -27.0512 -23.1103 -23.1103 -23.1103 -23.1103 -9.3418 -9.3418 -9.3414 -9.3414 -7.0091 -7.0091 -7.0042 -7.0042 -6.5303 -6.5303 -6.5246 -6.5246 -4.6621 -4.6621 -4.6500 -4.6500 -4.3478 -4.3478 -4.3355 -4.3355 -2.3782 -2.3782 -2.3767 -2.3767 8.3363 8.3363 8.3366 8.3366 k = 0.1825-0.3060 0.2199 ( 2642 PWs) bands (ev): -27.0544 -27.0544 -27.0544 -27.0544 -23.1115 -23.1115 -23.1115 -23.1115 -9.3425 -9.3425 -9.3420 -9.3420 -6.9921 -6.9921 -6.9871 -6.9871 -6.5178 -6.5178 -6.5121 -6.5121 -4.6563 -4.6563 -4.6443 -4.6443 -4.3453 -4.3453 -4.3330 -4.3330 -2.3795 -2.3795 -2.3780 -2.3780 8.2317 8.2317 8.2320 8.2320 k = 0.1773-0.2973 0.2199 ( 2658 PWs) bands (ev): -27.0576 -27.0576 -27.0576 -27.0576 -23.1127 -23.1127 -23.1127 -23.1127 -9.3432 -9.3432 -9.3428 -9.3428 -6.9742 -6.9742 -6.9693 -6.9693 -6.5056 -6.5056 -6.4999 -6.4999 -4.6504 -4.6504 -4.6384 -4.6384 -4.3429 -4.3429 -4.3306 -4.3306 -2.3808 -2.3808 -2.3793 -2.3793 8.1287 8.1287 8.1290 8.1290 k = 0.1721-0.2885 0.2199 ( 2650 PWs) bands (ev): -27.0609 -27.0609 -27.0609 -27.0609 -23.1139 -23.1139 -23.1139 -23.1139 -9.3438 -9.3438 -9.3434 -9.3434 -6.9556 -6.9556 -6.9506 -6.9506 -6.4937 -6.4937 -6.4880 -6.4880 -4.6443 -4.6443 -4.6324 -4.6324 -4.3406 -4.3406 -4.3283 -4.3283 -2.3822 -2.3822 -2.3807 -2.3807 8.0275 8.0275 8.0277 8.0277 k = 0.1668-0.2798 0.2199 ( 2650 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -23.1151 -23.1151 -23.1151 -23.1151 -9.3445 -9.3445 -9.3441 -9.3441 -6.9362 -6.9362 -6.9312 -6.9312 -6.4822 -6.4822 -6.4765 -6.4765 -4.6381 -4.6381 -4.6263 -4.6263 -4.3383 -4.3383 -4.3261 -4.3261 -2.3837 -2.3837 -2.3821 -2.3821 7.9280 7.9280 7.9282 7.9282 k = 0.1616-0.2710 0.2199 ( 2652 PWs) bands (ev): -27.0675 -27.0675 -27.0675 -27.0675 -23.1163 -23.1163 -23.1163 -23.1163 -9.3452 -9.3452 -9.3447 -9.3447 -6.9161 -6.9161 -6.9111 -6.9111 -6.4709 -6.4709 -6.4653 -6.4653 -4.6319 -4.6319 -4.6201 -4.6201 -4.3362 -4.3362 -4.3240 -4.3240 -2.3851 -2.3851 -2.3836 -2.3836 7.8304 7.8304 7.8307 7.8307 k = 0.1564-0.2623 0.2199 ( 2652 PWs) bands (ev): -27.0708 -27.0708 -27.0708 -27.0708 -23.1175 -23.1175 -23.1175 -23.1175 -9.3458 -9.3458 -9.3454 -9.3454 -6.8955 -6.8955 -6.8904 -6.8904 -6.4601 -6.4601 -6.4544 -6.4544 -4.6255 -4.6255 -4.6138 -4.6138 -4.3341 -4.3341 -4.3220 -4.3220 -2.3866 -2.3866 -2.3851 -2.3851 7.7349 7.7349 7.7351 7.7351 k = 0.1512-0.2535 0.2199 ( 2652 PWs) bands (ev): -27.0742 -27.0742 -27.0742 -27.0742 -23.1187 -23.1187 -23.1187 -23.1187 -9.3464 -9.3464 -9.3460 -9.3460 -6.8742 -6.8742 -6.8691 -6.8691 -6.4495 -6.4495 -6.4438 -6.4438 -4.6191 -4.6191 -4.6075 -4.6075 -4.3321 -4.3321 -4.3201 -4.3201 -2.3881 -2.3881 -2.3866 -2.3866 7.6414 7.6414 7.6416 7.6416 k = 0.1460-0.2448 0.2199 ( 2648 PWs) bands (ev): -27.0775 -27.0775 -27.0775 -27.0775 -23.1199 -23.1199 -23.1199 -23.1199 -9.3470 -9.3470 -9.3466 -9.3466 -6.8525 -6.8525 -6.8474 -6.8474 -6.4394 -6.4394 -6.4336 -6.4336 -4.6126 -4.6126 -4.6011 -4.6011 -4.3302 -4.3302 -4.3183 -4.3183 -2.3897 -2.3897 -2.3882 -2.3882 7.5500 7.5500 7.5502 7.5502 k = 0.1408-0.2361 0.2199 ( 2644 PWs) bands (ev): -27.0808 -27.0808 -27.0808 -27.0808 -23.1211 -23.1211 -23.1211 -23.1211 -9.3476 -9.3476 -9.3472 -9.3472 -6.8304 -6.8304 -6.8252 -6.8252 -6.4296 -6.4296 -6.4238 -6.4238 -4.6062 -4.6062 -4.5948 -4.5948 -4.3284 -4.3284 -4.3166 -4.3166 -2.3913 -2.3913 -2.3898 -2.3898 7.4609 7.4609 7.4611 7.4611 k = 0.1356-0.2273 0.2199 ( 2644 PWs) bands (ev): -27.0841 -27.0841 -27.0841 -27.0841 -23.1223 -23.1223 -23.1223 -23.1223 -9.3481 -9.3481 -9.3478 -9.3478 -6.8080 -6.8080 -6.8028 -6.8028 -6.4201 -6.4201 -6.4143 -6.4143 -4.5997 -4.5997 -4.5885 -4.5885 -4.3266 -4.3266 -4.3149 -4.3149 -2.3929 -2.3929 -2.3915 -2.3915 7.3741 7.3741 7.3743 7.3743 k = 0.1304-0.2186 0.2199 ( 2640 PWs) bands (ev): -27.0873 -27.0873 -27.0873 -27.0873 -23.1235 -23.1235 -23.1235 -23.1235 -9.3487 -9.3487 -9.3483 -9.3483 -6.7853 -6.7853 -6.7800 -6.7800 -6.4111 -6.4111 -6.4052 -6.4052 -4.5933 -4.5933 -4.5823 -4.5823 -4.3249 -4.3249 -4.3133 -4.3133 -2.3946 -2.3946 -2.3932 -2.3932 7.2897 7.2897 7.2899 7.2899 k = 0.1251-0.2098 0.2199 ( 2640 PWs) bands (ev): -27.0906 -27.0906 -27.0905 -27.0905 -23.1247 -23.1247 -23.1247 -23.1247 -9.3492 -9.3492 -9.3488 -9.3488 -6.7625 -6.7625 -6.7571 -6.7571 -6.4024 -6.4024 -6.3965 -6.3965 -4.5870 -4.5870 -4.5761 -4.5761 -4.3232 -4.3232 -4.3118 -4.3118 -2.3963 -2.3963 -2.3949 -2.3949 7.2078 7.2078 7.2080 7.2080 k = 0.1199-0.2011 0.2199 ( 2636 PWs) bands (ev): -27.0937 -27.0937 -27.0937 -27.0937 -23.1258 -23.1258 -23.1258 -23.1258 -9.3497 -9.3497 -9.3493 -9.3493 -6.7396 -6.7396 -6.7341 -6.7341 -6.3941 -6.3941 -6.3882 -6.3882 -4.5808 -4.5808 -4.5701 -4.5701 -4.3216 -4.3216 -4.3104 -4.3104 -2.3980 -2.3980 -2.3966 -2.3966 7.1285 7.1285 7.1287 7.1287 k = 0.1147-0.1923 0.2199 ( 2644 PWs) bands (ev): -27.0968 -27.0968 -27.0968 -27.0968 -23.1270 -23.1270 -23.1269 -23.1269 -9.3502 -9.3502 -9.3498 -9.3498 -6.7167 -6.7167 -6.7111 -6.7111 -6.3862 -6.3862 -6.3802 -6.3802 -4.5747 -4.5747 -4.5642 -4.5642 -4.3201 -4.3201 -4.3091 -4.3091 -2.3997 -2.3997 -2.3984 -2.3984 7.0518 7.0518 7.0520 7.0520 k = 0.1095-0.1836 0.2199 ( 2640 PWs) bands (ev): -27.0998 -27.0998 -27.0998 -27.0998 -23.1281 -23.1281 -23.1281 -23.1281 -9.3506 -9.3506 -9.3503 -9.3503 -6.6938 -6.6938 -6.6882 -6.6882 -6.3787 -6.3787 -6.3726 -6.3726 -4.5687 -4.5687 -4.5584 -4.5584 -4.3186 -4.3186 -4.3078 -4.3078 -2.4014 -2.4014 -2.4002 -2.4002 6.9778 6.9778 6.9780 6.9780 k = 0.1043-0.1749 0.2199 ( 2648 PWs) bands (ev): -27.1028 -27.1028 -27.1028 -27.1028 -23.1291 -23.1291 -23.1291 -23.1291 -9.3511 -9.3511 -9.3508 -9.3508 -6.6712 -6.6712 -6.6655 -6.6655 -6.3716 -6.3716 -6.3655 -6.3655 -4.5630 -4.5630 -4.5529 -4.5529 -4.3171 -4.3171 -4.3066 -4.3066 -2.4032 -2.4032 -2.4019 -2.4019 6.9067 6.9067 6.9068 6.9068 k = 0.0991-0.1661 0.2199 ( 2652 PWs) bands (ev): -27.1057 -27.1057 -27.1057 -27.1057 -23.1302 -23.1302 -23.1302 -23.1302 -9.3515 -9.3515 -9.3512 -9.3512 -6.6488 -6.6488 -6.6430 -6.6430 -6.3649 -6.3649 -6.3587 -6.3587 -4.5573 -4.5573 -4.5476 -4.5476 -4.3157 -4.3157 -4.3055 -4.3055 -2.4049 -2.4049 -2.4037 -2.4037 6.8384 6.8384 6.8385 6.8385 k = 0.0939-0.1574 0.2199 ( 2644 PWs) bands (ev): -27.1085 -27.1085 -27.1085 -27.1085 -23.1312 -23.1312 -23.1312 -23.1312 -9.3519 -9.3519 -9.3516 -9.3516 -6.6268 -6.6268 -6.6209 -6.6209 -6.3585 -6.3585 -6.3523 -6.3523 -4.5519 -4.5519 -4.5425 -4.5425 -4.3143 -4.3143 -4.3044 -4.3044 -2.4066 -2.4066 -2.4055 -2.4055 6.7731 6.7731 6.7732 6.7732 k = 0.0886-0.1486 0.2199 ( 2648 PWs) bands (ev): -27.1111 -27.1111 -27.1111 -27.1111 -23.1322 -23.1322 -23.1322 -23.1322 -9.3523 -9.3523 -9.3520 -9.3520 -6.6052 -6.6052 -6.5992 -6.5992 -6.3526 -6.3526 -6.3463 -6.3463 -4.5468 -4.5468 -4.5376 -4.5376 -4.3130 -4.3130 -4.3034 -4.3034 -2.4084 -2.4084 -2.4073 -2.4073 6.7108 6.7108 6.7109 6.7109 k = 0.0834-0.1399 0.2199 ( 2646 PWs) bands (ev): -27.1137 -27.1137 -27.1137 -27.1137 -23.1331 -23.1331 -23.1331 -23.1331 -9.3526 -9.3526 -9.3524 -9.3524 -6.5842 -6.5842 -6.5781 -6.5781 -6.3471 -6.3471 -6.3407 -6.3407 -4.5418 -4.5418 -4.5331 -4.5331 -4.3116 -4.3116 -4.3024 -4.3024 -2.4100 -2.4100 -2.4090 -2.4090 6.6516 6.6516 6.6517 6.6517 k = 0.0782-0.1311 0.2199 ( 2646 PWs) bands (ev): -27.1162 -27.1162 -27.1161 -27.1161 -23.1340 -23.1340 -23.1340 -23.1340 -9.3529 -9.3529 -9.3527 -9.3527 -6.5637 -6.5637 -6.5576 -6.5576 -6.3420 -6.3420 -6.3356 -6.3356 -4.5371 -4.5371 -4.5288 -4.5288 -4.3103 -4.3103 -4.3015 -4.3015 -2.4117 -2.4117 -2.4107 -2.4107 6.5956 6.5956 6.5957 6.5957 k = 0.0730-0.1224 0.2199 ( 2646 PWs) bands (ev): -27.1185 -27.1185 -27.1185 -27.1185 -23.1349 -23.1349 -23.1349 -23.1349 -9.3532 -9.3532 -9.3530 -9.3530 -6.5440 -6.5440 -6.5378 -6.5378 -6.3373 -6.3373 -6.3309 -6.3309 -4.5327 -4.5327 -4.5248 -4.5248 -4.3090 -4.3090 -4.3007 -4.3007 -2.4133 -2.4133 -2.4124 -2.4124 6.5429 6.5429 6.5430 6.5430 k = 0.0678-0.1137 0.2199 ( 2638 PWs) bands (ev): -27.1207 -27.1207 -27.1207 -27.1207 -23.1357 -23.1357 -23.1357 -23.1357 -9.3535 -9.3535 -9.3533 -9.3533 -6.5251 -6.5251 -6.5188 -6.5188 -6.3330 -6.3330 -6.3265 -6.3265 -4.5286 -4.5286 -4.5211 -4.5211 -4.3078 -4.3078 -4.2999 -4.2999 -2.4149 -2.4149 -2.4140 -2.4140 6.4935 6.4935 6.4936 6.4936 k = 0.0626-0.1049 0.2199 ( 2646 PWs) bands (ev): -27.1228 -27.1228 -27.1227 -27.1227 -23.1364 -23.1364 -23.1364 -23.1364 -9.3538 -9.3538 -9.3536 -9.3536 -6.5071 -6.5071 -6.5008 -6.5008 -6.3292 -6.3292 -6.3227 -6.3227 -4.5247 -4.5247 -4.5177 -4.5177 -4.3066 -4.3066 -4.2992 -4.2992 -2.4164 -2.4164 -2.4155 -2.4155 6.4474 6.4474 6.4475 6.4475 k = 0.0574-0.0962 0.2199 ( 2640 PWs) bands (ev): -27.1247 -27.1247 -27.1247 -27.1247 -23.1371 -23.1371 -23.1371 -23.1371 -9.3540 -9.3540 -9.3539 -9.3539 -6.4900 -6.4900 -6.4837 -6.4837 -6.3257 -6.3257 -6.3192 -6.3192 -4.5211 -4.5211 -4.5146 -4.5146 -4.3054 -4.3054 -4.2985 -4.2985 -2.4178 -2.4178 -2.4170 -2.4170 6.4048 6.4048 6.4049 6.4049 k = 0.0521-0.0874 0.2199 ( 2640 PWs) bands (ev): -27.1264 -27.1264 -27.1264 -27.1264 -23.1378 -23.1378 -23.1378 -23.1378 -9.3543 -9.3543 -9.3541 -9.3541 -6.4739 -6.4739 -6.4677 -6.4677 -6.3227 -6.3227 -6.3162 -6.3162 -4.5179 -4.5179 -4.5118 -4.5118 -4.3043 -4.3043 -4.2979 -4.2979 -2.4191 -2.4191 -2.4184 -2.4184 6.3658 6.3658 6.3658 6.3658 k = 0.0469-0.0787 0.2199 ( 2638 PWs) bands (ev): -27.1281 -27.1281 -27.1281 -27.1281 -23.1384 -23.1384 -23.1384 -23.1384 -9.3545 -9.3545 -9.3543 -9.3543 -6.4590 -6.4590 -6.4528 -6.4528 -6.3200 -6.3200 -6.3137 -6.3137 -4.5149 -4.5149 -4.5094 -4.5094 -4.3032 -4.3032 -4.2974 -4.2974 -2.4203 -2.4203 -2.4197 -2.4197 6.3302 6.3302 6.3303 6.3303 k = 0.0417-0.0699 0.2199 ( 2638 PWs) bands (ev): -27.1295 -27.1295 -27.1295 -27.1295 -23.1389 -23.1389 -23.1389 -23.1389 -9.3546 -9.3546 -9.3545 -9.3545 -6.4452 -6.4452 -6.4392 -6.4392 -6.3177 -6.3177 -6.3116 -6.3116 -4.5122 -4.5122 -4.5072 -4.5072 -4.3021 -4.3021 -4.2969 -4.2969 -2.4215 -2.4215 -2.4209 -2.4209 6.2983 6.2983 6.2984 6.2984 k = 0.0365-0.0612 0.2199 ( 2634 PWs) bands (ev): -27.1308 -27.1308 -27.1308 -27.1308 -23.1394 -23.1394 -23.1394 -23.1394 -9.3548 -9.3548 -9.3547 -9.3547 -6.4327 -6.4327 -6.4269 -6.4269 -6.3158 -6.3158 -6.3099 -6.3099 -4.5098 -4.5098 -4.5054 -4.5054 -4.3012 -4.3012 -4.2966 -4.2966 -2.4225 -2.4225 -2.4220 -2.4220 6.2700 6.2700 6.2701 6.2701 k = 0.0313-0.0525 0.2199 ( 2638 PWs) bands (ev): -27.1320 -27.1320 -27.1320 -27.1320 -23.1398 -23.1398 -23.1398 -23.1398 -9.3549 -9.3549 -9.3548 -9.3548 -6.4215 -6.4215 -6.4161 -6.4161 -6.3142 -6.3142 -6.3087 -6.3087 -4.5076 -4.5076 -4.5039 -4.5039 -4.3003 -4.3003 -4.2963 -4.2963 -2.4234 -2.4234 -2.4229 -2.4229 6.2454 6.2454 6.2455 6.2455 k = 0.0261-0.0437 0.2199 ( 2630 PWs) bands (ev): -27.1329 -27.1329 -27.1329 -27.1329 -23.1401 -23.1401 -23.1401 -23.1401 -9.3550 -9.3550 -9.3549 -9.3549 -6.4117 -6.4117 -6.4068 -6.4068 -6.3129 -6.3129 -6.3079 -6.3079 -4.5058 -4.5058 -4.5027 -4.5027 -4.2994 -4.2994 -4.2961 -4.2961 -2.4241 -2.4241 -2.4238 -2.4238 6.2245 6.2245 6.2246 6.2246 k = 0.0209-0.0350 0.2199 ( 2626 PWs) bands (ev): -27.1337 -27.1337 -27.1337 -27.1337 -23.1404 -23.1404 -23.1404 -23.1404 -9.3551 -9.3551 -9.3550 -9.3550 -6.4034 -6.4034 -6.3991 -6.3991 -6.3118 -6.3118 -6.3075 -6.3075 -4.5043 -4.5043 -4.5017 -4.5017 -4.2987 -4.2987 -4.2960 -4.2960 -2.4248 -2.4248 -2.4245 -2.4245 6.2074 6.2074 6.2075 6.2075 k = 0.0156-0.0262 0.2199 ( 2630 PWs) bands (ev): -27.1343 -27.1343 -27.1343 -27.1343 -23.1407 -23.1407 -23.1407 -23.1407 -9.3552 -9.3552 -9.3551 -9.3551 -6.3966 -6.3966 -6.3932 -6.3932 -6.3109 -6.3109 -6.3074 -6.3074 -4.5030 -4.5030 -4.5011 -4.5011 -4.2980 -4.2980 -4.2960 -4.2960 -2.4252 -2.4252 -2.4250 -2.4250 6.1941 6.1941 6.1941 6.1941 k = 0.0104-0.0175 0.2199 ( 2626 PWs) bands (ev): -27.1348 -27.1348 -27.1348 -27.1348 -23.1408 -23.1408 -23.1408 -23.1408 -9.3552 -9.3552 -9.3552 -9.3552 -6.3915 -6.3915 -6.3891 -6.3891 -6.3101 -6.3101 -6.3076 -6.3076 -4.5020 -4.5020 -4.5007 -4.5007 -4.2974 -4.2974 -4.2961 -4.2961 -2.4256 -2.4256 -2.4254 -2.4254 6.1846 6.1846 6.1846 6.1846 k = 0.0052-0.0087 0.2199 ( 2622 PWs) bands (ev): -27.1350 -27.1350 -27.1350 -27.1350 -23.1409 -23.1409 -23.1409 -23.1409 -9.3553 -9.3553 -9.3552 -9.3552 -6.3881 -6.3881 -6.3868 -6.3868 -6.3094 -6.3094 -6.3081 -6.3081 -4.5012 -4.5012 -4.5006 -4.5006 -4.2969 -4.2969 -4.2962 -4.2962 -2.4258 -2.4258 -2.4257 -2.4257 6.1788 6.1788 6.1788 6.1788 k = 0.0000 0.0000 0.2199 ( 2630 PWs) bands (ev): -27.1351 -27.1351 -27.1351 -27.1351 -23.1410 -23.1410 -23.1410 -23.1410 -9.3553 -9.3553 -9.3553 -9.3553 -6.3865 -6.3865 -6.3865 -6.3865 -6.3087 -6.3087 -6.3087 -6.3087 -4.5008 -4.5008 -4.5008 -4.5008 -4.2965 -4.2965 -4.2965 -4.2965 -2.4258 -2.4258 -2.4258 -2.4258 6.1769 6.1769 6.1769 6.1769 k = 0.0000 0.0000 0.2199 ( 2630 PWs) bands (ev): -27.1351 -27.1351 -27.1351 -27.1351 -23.1410 -23.1410 -23.1410 -23.1410 -9.3553 -9.3553 -9.3553 -9.3553 -6.3865 -6.3865 -6.3865 -6.3865 -6.3087 -6.3087 -6.3087 -6.3087 -4.5008 -4.5008 -4.5008 -4.5008 -4.2965 -4.2965 -4.2965 -4.2965 -2.4258 -2.4258 -2.4258 -2.4258 6.1769 6.1769 6.1769 6.1769 k = 0.0086 0.0051 0.2199 ( 2630 PWs) bands (ev): -27.1353 -27.1353 -27.1348 -27.1348 -23.1416 -23.1416 -23.1402 -23.1402 -9.3591 -9.3591 -9.3513 -9.3513 -6.3878 -6.3878 -6.3857 -6.3857 -6.3101 -6.3101 -6.3087 -6.3087 -4.5017 -4.5017 -4.4999 -4.4999 -4.2988 -4.2988 -4.2948 -4.2948 -2.4318 -2.4318 -2.4197 -2.4197 6.1748 6.1748 6.1828 6.1828 k = 0.0172 0.0103 0.2199 ( 2622 PWs) bands (ev): -27.1353 -27.1353 -27.1342 -27.1342 -23.1422 -23.1422 -23.1394 -23.1394 -9.3629 -9.3629 -9.3474 -9.3474 -6.3896 -6.3896 -6.3852 -6.3852 -6.3131 -6.3131 -6.3102 -6.3102 -4.5025 -4.5025 -4.4989 -4.4989 -4.3016 -4.3016 -4.2936 -4.2936 -2.4376 -2.4376 -2.4134 -2.4134 6.1765 6.1765 6.1925 6.1925 k = 0.0259 0.0154 0.2199 ( 2622 PWs) bands (ev): -27.1351 -27.1351 -27.1335 -27.1335 -23.1427 -23.1427 -23.1385 -23.1385 -9.3667 -9.3667 -9.3434 -9.3434 -6.3918 -6.3918 -6.3852 -6.3852 -6.3176 -6.3176 -6.3131 -6.3131 -4.5034 -4.5034 -4.4980 -4.4980 -4.3049 -4.3049 -4.2930 -4.2930 -2.4432 -2.4432 -2.4070 -2.4070 6.1820 6.1820 6.2059 6.2059 k = 0.0345 0.0206 0.2199 ( 2618 PWs) bands (ev): -27.1347 -27.1347 -27.1326 -27.1326 -23.1431 -23.1431 -23.1375 -23.1375 -9.3703 -9.3703 -9.3393 -9.3393 -6.3946 -6.3946 -6.3857 -6.3857 -6.3235 -6.3235 -6.3174 -6.3174 -4.5042 -4.5042 -4.4969 -4.4969 -4.3087 -4.3087 -4.2929 -4.2929 -2.4485 -2.4485 -2.4005 -2.4005 6.1913 6.1913 6.2231 6.2231 k = 0.0431 0.0257 0.2199 ( 2614 PWs) bands (ev): -27.1341 -27.1341 -27.1315 -27.1315 -23.1435 -23.1435 -23.1365 -23.1365 -9.3739 -9.3739 -9.3353 -9.3353 -6.3978 -6.3978 -6.3867 -6.3867 -6.3308 -6.3308 -6.3229 -6.3229 -4.5051 -4.5051 -4.4959 -4.4959 -4.3129 -4.3129 -4.2934 -4.2934 -2.4536 -2.4536 -2.3940 -2.3940 6.2044 6.2044 6.2439 6.2439 k = 0.0517 0.0308 0.2199 ( 2616 PWs) bands (ev): -27.1334 -27.1334 -27.1303 -27.1303 -23.1438 -23.1438 -23.1354 -23.1354 -9.3774 -9.3774 -9.3313 -9.3313 -6.4018 -6.4018 -6.3882 -6.3882 -6.3395 -6.3395 -6.3295 -6.3295 -4.5060 -4.5060 -4.4948 -4.4948 -4.3177 -4.3177 -4.2944 -4.2944 -2.4583 -2.4583 -2.3874 -2.3874 6.2213 6.2213 6.2684 6.2684 k = 0.0603 0.0360 0.2199 ( 2616 PWs) bands (ev): -27.1325 -27.1325 -27.1289 -27.1289 -23.1439 -23.1439 -23.1342 -23.1342 -9.3807 -9.3807 -9.3272 -9.3272 -6.4065 -6.4065 -6.3904 -6.3904 -6.3495 -6.3495 -6.3370 -6.3370 -4.5070 -4.5070 -4.4937 -4.4937 -4.3229 -4.3229 -4.2959 -4.2959 -2.4628 -2.4628 -2.3809 -2.3809 6.2420 6.2420 6.2965 6.2965 k = 0.0690 0.0411 0.2199 ( 2620 PWs) bands (ev): -27.1314 -27.1314 -27.1273 -27.1273 -23.1440 -23.1440 -23.1330 -23.1330 -9.3840 -9.3840 -9.3232 -9.3232 -6.4121 -6.4121 -6.3935 -6.3935 -6.3604 -6.3604 -6.3451 -6.3451 -4.5080 -4.5080 -4.4926 -4.4926 -4.3285 -4.3285 -4.2980 -4.2980 -2.4670 -2.4670 -2.3743 -2.3743 6.2663 6.2663 6.3282 6.3282 k = 0.0776 0.0463 0.2199 ( 2624 PWs) bands (ev): -27.1301 -27.1301 -27.1255 -27.1255 -23.1441 -23.1441 -23.1318 -23.1318 -9.3871 -9.3871 -9.3193 -9.3193 -6.4190 -6.4190 -6.3979 -6.3979 -6.3719 -6.3719 -6.3535 -6.3535 -4.5091 -4.5091 -4.4914 -4.4914 -4.3345 -4.3345 -4.3007 -4.3007 -2.4708 -2.4708 -2.3679 -2.3679 6.2944 6.2944 6.3633 6.3633 k = 0.0862 0.0514 0.2199 ( 2626 PWs) bands (ev): -27.1287 -27.1287 -27.1236 -27.1236 -23.1440 -23.1440 -23.1305 -23.1305 -9.3901 -9.3901 -9.3153 -9.3153 -6.4273 -6.4273 -6.4046 -6.4046 -6.3830 -6.3830 -6.3617 -6.3617 -4.5103 -4.5103 -4.4903 -4.4903 -4.3410 -4.3410 -4.3038 -4.3038 -2.4743 -2.4743 -2.3615 -2.3615 6.3261 6.3261 6.4019 6.4019 k = 0.0948 0.0566 0.2199 ( 2626 PWs) bands (ev): -27.1271 -27.1271 -27.1216 -27.1216 -23.1438 -23.1438 -23.1291 -23.1291 -9.3930 -9.3930 -9.3115 -9.3115 -6.4375 -6.4375 -6.4150 -6.4150 -6.3921 -6.3921 -6.3694 -6.3694 -4.5116 -4.5116 -4.4892 -4.4892 -4.3478 -4.3478 -4.3074 -4.3074 -2.4774 -2.4774 -2.3552 -2.3552 6.3614 6.3614 6.4438 6.4438 k = 0.1034 0.0617 0.2199 ( 2630 PWs) bands (ev): -27.1253 -27.1253 -27.1194 -27.1194 -23.1436 -23.1436 -23.1277 -23.1277 -9.3958 -9.3958 -9.3076 -9.3076 -6.4496 -6.4496 -6.4290 -6.4290 -6.3993 -6.3993 -6.3763 -6.3763 -4.5131 -4.5131 -4.4881 -4.4881 -4.3549 -4.3549 -4.3114 -4.3114 -2.4801 -2.4801 -2.3490 -2.3490 6.4003 6.4003 6.4891 6.4891 k = 0.1121 0.0668 0.2199 ( 2632 PWs) bands (ev): -27.1234 -27.1234 -27.1170 -27.1170 -23.1433 -23.1433 -23.1263 -23.1263 -9.3983 -9.3983 -9.3039 -9.3039 -6.4638 -6.4638 -6.4454 -6.4454 -6.4056 -6.4056 -6.3825 -6.3825 -4.5148 -4.5148 -4.4870 -4.4870 -4.3624 -4.3624 -4.3159 -4.3159 -2.4825 -2.4825 -2.3430 -2.3430 6.4427 6.4427 6.5376 6.5376 k = 0.1207 0.0720 0.2199 ( 2626 PWs) bands (ev): -27.1213 -27.1213 -27.1146 -27.1146 -23.1429 -23.1429 -23.1248 -23.1248 -9.4008 -9.4008 -9.3002 -9.3002 -6.4798 -6.4798 -6.4635 -6.4635 -6.4115 -6.4115 -6.3880 -6.3880 -4.5166 -4.5166 -4.4861 -4.4861 -4.3701 -4.3701 -4.3208 -4.3208 -2.4844 -2.4844 -2.3371 -2.3371 6.4886 6.4886 6.5892 6.5892 k = 0.1293 0.0771 0.2199 ( 2626 PWs) bands (ev): -27.1191 -27.1191 -27.1120 -27.1120 -23.1424 -23.1424 -23.1233 -23.1233 -9.4030 -9.4030 -9.2967 -9.2967 -6.4975 -6.4975 -6.4827 -6.4827 -6.4173 -6.4173 -6.3931 -6.3931 -4.5187 -4.5187 -4.4852 -4.4852 -4.3781 -4.3781 -4.3261 -4.3261 -2.4860 -2.4860 -2.3314 -2.3314 6.5379 6.5379 6.6439 6.6439 k = 0.1379 0.0823 0.2199 ( 2636 PWs) bands (ev): -27.1168 -27.1168 -27.1093 -27.1093 -23.1419 -23.1419 -23.1217 -23.1217 -9.4051 -9.4051 -9.2933 -9.2933 -6.5167 -6.5167 -6.5030 -6.5030 -6.4231 -6.4231 -6.3980 -6.3980 -4.5209 -4.5209 -4.4844 -4.4844 -4.3863 -4.3863 -4.3316 -4.3316 -2.4872 -2.4872 -2.3260 -2.3260 6.5904 6.5904 6.7015 6.7015 k = 0.1466 0.0874 0.2199 ( 2632 PWs) bands (ev): -27.1143 -27.1143 -27.1064 -27.1064 -23.1412 -23.1412 -23.1202 -23.1202 -9.4071 -9.4071 -9.2899 -9.2899 -6.5371 -6.5371 -6.5242 -6.5242 -6.4288 -6.4288 -6.4028 -6.4028 -4.5235 -4.5235 -4.4838 -4.4838 -4.3946 -4.3946 -4.3374 -4.3374 -2.4881 -2.4881 -2.3207 -2.3207 6.6463 6.6463 6.7620 6.7620 k = 0.1552 0.0925 0.2199 ( 2638 PWs) bands (ev): -27.1117 -27.1117 -27.1035 -27.1035 -23.1405 -23.1405 -23.1186 -23.1186 -9.4088 -9.4088 -9.2867 -9.2867 -6.5585 -6.5585 -6.5461 -6.5461 -6.4346 -6.4346 -6.4077 -6.4077 -4.5263 -4.5263 -4.4834 -4.4834 -4.4031 -4.4031 -4.3435 -4.3435 -2.4885 -2.4885 -2.3157 -2.3157 6.7053 6.7053 6.8254 6.8254 k = 0.1638 0.0977 0.2199 ( 2638 PWs) bands (ev): -27.1089 -27.1089 -27.1005 -27.1005 -23.1397 -23.1397 -23.1170 -23.1170 -9.4104 -9.4104 -9.2837 -9.2837 -6.5808 -6.5808 -6.5687 -6.5687 -6.4404 -6.4404 -6.4125 -6.4125 -4.5295 -4.5295 -4.4833 -4.4833 -4.4116 -4.4116 -4.3497 -4.3497 -2.4886 -2.4886 -2.3109 -2.3109 6.7674 6.7674 6.8914 6.8914 k = 0.1724 0.1028 0.2199 ( 2646 PWs) bands (ev): -27.1061 -27.1061 -27.0974 -27.0974 -23.1389 -23.1389 -23.1155 -23.1155 -9.4117 -9.4117 -9.2807 -9.2807 -6.6038 -6.6038 -6.5920 -6.5920 -6.4463 -6.4463 -6.4174 -6.4174 -4.5329 -4.5329 -4.4835 -4.4835 -4.4200 -4.4200 -4.3560 -4.3560 -2.4884 -2.4884 -2.3063 -2.3063 6.8326 6.8326 6.9600 6.9600 k = 0.1810 0.1080 0.2199 ( 2636 PWs) bands (ev): -27.1031 -27.1031 -27.0942 -27.0942 -23.1380 -23.1380 -23.1139 -23.1139 -9.4129 -9.4129 -9.2780 -9.2780 -6.6275 -6.6275 -6.6157 -6.6157 -6.4521 -6.4521 -6.4224 -6.4224 -4.5367 -4.5367 -4.4843 -4.4843 -4.4282 -4.4282 -4.3624 -4.3624 -2.4878 -2.4878 -2.3021 -2.3021 6.9007 6.9007 7.0311 7.0311 k = 0.1897 0.1131 0.2199 ( 2640 PWs) bands (ev): -27.1001 -27.1001 -27.0909 -27.0909 -23.1370 -23.1370 -23.1123 -23.1123 -9.4139 -9.4139 -9.2754 -9.2754 -6.6516 -6.6516 -6.6400 -6.6400 -6.4580 -6.4580 -6.4275 -6.4275 -4.5409 -4.5409 -4.4858 -4.4858 -4.4359 -4.4359 -4.3688 -4.3688 -2.4868 -2.4868 -2.2981 -2.2981 6.9716 6.9716 7.1047 7.1047 k = 0.1983 0.1182 0.2199 ( 2640 PWs) bands (ev): -27.0970 -27.0970 -27.0876 -27.0876 -23.1359 -23.1359 -23.1107 -23.1107 -9.4146 -9.4146 -9.2729 -9.2729 -6.6761 -6.6761 -6.6645 -6.6645 -6.4639 -6.4639 -6.4327 -6.4327 -4.5454 -4.5454 -4.4882 -4.4882 -4.4428 -4.4428 -4.3751 -4.3751 -2.4855 -2.4855 -2.2943 -2.2943 7.0454 7.0454 7.1805 7.1805 k = 0.2069 0.1234 0.2199 ( 2632 PWs) bands (ev): -27.0938 -27.0938 -27.0843 -27.0843 -23.1348 -23.1348 -23.1091 -23.1091 -9.4152 -9.4152 -9.2707 -9.2707 -6.7009 -6.7009 -6.6894 -6.6894 -6.4697 -6.4697 -6.4380 -6.4380 -4.5503 -4.5503 -4.4920 -4.4920 -4.4487 -4.4487 -4.3813 -4.3813 -2.4839 -2.4839 -2.2909 -2.2909 7.1218 7.1218 7.2585 7.2585 k = 0.2155 0.1285 0.2199 ( 2632 PWs) bands (ev): -27.0906 -27.0906 -27.0809 -27.0809 -23.1337 -23.1337 -23.1076 -23.1076 -9.4156 -9.4156 -9.2687 -9.2687 -6.7259 -6.7259 -6.7145 -6.7145 -6.4756 -6.4756 -6.4434 -6.4434 -4.5556 -4.5556 -4.4972 -4.4972 -4.4533 -4.4533 -4.3874 -4.3874 -2.4820 -2.4820 -2.2877 -2.2877 7.2008 7.2008 7.3387 7.3387 k = 0.2241 0.1337 0.2199 ( 2636 PWs) bands (ev): -27.0872 -27.0872 -27.0774 -27.0774 -23.1324 -23.1324 -23.1061 -23.1061 -9.4158 -9.4158 -9.2668 -9.2668 -6.7510 -6.7510 -6.7397 -6.7397 -6.4815 -6.4815 -6.4488 -6.4488 -4.5613 -4.5613 -4.5038 -4.5038 -4.4567 -4.4567 -4.3933 -4.3933 -2.4798 -2.4798 -2.2849 -2.2849 7.2824 7.2824 7.4208 7.4208 k = 0.2328 0.1388 0.2199 ( 2638 PWs) bands (ev): -27.0839 -27.0839 -27.0740 -27.0740 -23.1312 -23.1312 -23.1046 -23.1046 -9.4157 -9.4157 -9.2652 -9.2652 -6.7762 -6.7762 -6.7650 -6.7650 -6.4873 -6.4873 -6.4543 -6.4543 -4.5673 -4.5673 -4.5116 -4.5116 -4.4591 -4.4591 -4.3990 -4.3990 -2.4774 -2.4774 -2.2823 -2.2823 7.3663 7.3663 7.5048 7.5048 k = 0.2414 0.1439 0.2199 ( 2634 PWs) bands (ev): -27.0805 -27.0805 -27.0705 -27.0705 -23.1299 -23.1299 -23.1031 -23.1031 -9.4154 -9.4154 -9.2638 -9.2638 -6.8012 -6.8012 -6.7902 -6.7902 -6.4930 -6.4930 -6.4599 -6.4599 -4.5736 -4.5736 -4.5201 -4.5201 -4.4608 -4.4608 -4.4045 -4.4045 -2.4746 -2.4746 -2.2801 -2.2801 7.4526 7.4526 7.5907 7.5907 k = 0.2500 0.1491 0.2199 ( 2642 PWs) bands (ev): -27.0770 -27.0770 -27.0670 -27.0670 -23.1285 -23.1285 -23.1017 -23.1017 -9.4150 -9.4150 -9.2626 -9.2626 -6.8262 -6.8262 -6.8154 -6.8154 -6.4987 -6.4987 -6.4655 -6.4655 -4.5803 -4.5803 -4.5292 -4.5292 -4.4621 -4.4621 -4.4097 -4.4097 -2.4717 -2.4717 -2.2781 -2.2781 7.5412 7.5412 7.6782 7.6782 k = 0.2586 0.1542 0.2199 ( 2646 PWs) bands (ev): -27.0736 -27.0736 -27.0636 -27.0636 -23.1271 -23.1271 -23.1003 -23.1003 -9.4143 -9.4143 -9.2617 -9.2617 -6.8510 -6.8510 -6.8404 -6.8404 -6.5043 -6.5043 -6.4711 -6.4711 -4.5873 -4.5873 -4.5387 -4.5387 -4.4631 -4.4631 -4.4146 -4.4146 -2.4685 -2.4685 -2.2765 -2.2765 7.6319 7.6319 7.7673 7.7673 k = 0.2672 0.1594 0.2199 ( 2646 PWs) bands (ev): -27.0702 -27.0702 -27.0602 -27.0602 -23.1257 -23.1257 -23.0990 -23.0990 -9.4134 -9.4134 -9.2609 -9.2609 -6.8755 -6.8755 -6.8652 -6.8652 -6.5098 -6.5098 -6.4767 -6.4767 -4.5944 -4.5944 -4.5484 -4.5484 -4.4639 -4.4639 -4.4193 -4.4193 -2.4651 -2.4651 -2.2751 -2.2751 7.7246 7.7246 7.8580 7.8580 k = 0.2759 0.1645 0.2199 ( 2646 PWs) bands (ev): -27.0667 -27.0667 -27.0568 -27.0568 -23.1242 -23.1242 -23.0977 -23.0977 -9.4123 -9.4123 -9.2605 -9.2605 -6.8996 -6.8996 -6.8897 -6.8897 -6.5152 -6.5152 -6.4823 -6.4823 -4.6018 -4.6018 -4.5582 -4.5582 -4.4646 -4.4646 -4.4237 -4.4237 -2.4614 -2.4614 -2.2741 -2.2741 7.8193 7.8193 7.9500 7.9500 k = 0.2845 0.1697 0.2199 ( 2646 PWs) bands (ev): -27.0633 -27.0633 -27.0534 -27.0534 -23.1228 -23.1228 -23.0964 -23.0964 -9.4109 -9.4109 -9.2602 -9.2602 -6.9234 -6.9234 -6.9138 -6.9138 -6.5205 -6.5205 -6.4879 -6.4879 -4.6093 -4.6093 -4.5681 -4.5681 -4.4652 -4.4652 -4.4278 -4.4278 -2.4576 -2.4576 -2.2733 -2.2733 7.9158 7.9158 8.0433 8.0433 k = 0.2931 0.1748 0.2199 ( 2646 PWs) bands (ev): -27.0598 -27.0598 -27.0501 -27.0501 -23.1213 -23.1213 -23.0952 -23.0952 -9.4094 -9.4094 -9.2602 -9.2602 -6.9467 -6.9467 -6.9375 -6.9375 -6.5257 -6.5257 -6.4934 -6.4934 -4.6169 -4.6169 -4.5779 -4.5779 -4.4658 -4.4658 -4.4317 -4.4317 -2.4536 -2.4536 -2.2729 -2.2729 8.0142 8.0142 8.1378 8.1378 k = 0.3017 0.1799 0.2199 ( 2644 PWs) bands (ev): -27.0565 -27.0565 -27.0469 -27.0469 -23.1197 -23.1197 -23.0941 -23.0941 -9.4077 -9.4077 -9.2605 -9.2605 -6.9695 -6.9695 -6.9607 -6.9607 -6.5307 -6.5307 -6.4989 -6.4989 -4.6246 -4.6246 -4.5876 -4.5876 -4.4664 -4.4664 -4.4353 -4.4353 -2.4495 -2.4495 -2.2727 -2.2727 8.1142 8.1142 8.2335 8.2335 k = 0.3103 0.1851 0.2199 ( 2656 PWs) bands (ev): -27.0531 -27.0531 -27.0437 -27.0437 -23.1182 -23.1182 -23.0930 -23.0930 -9.4057 -9.4057 -9.2610 -9.2610 -6.9918 -6.9918 -6.9833 -6.9833 -6.5355 -6.5355 -6.5043 -6.5043 -4.6323 -4.6323 -4.5973 -4.5973 -4.4670 -4.4670 -4.4387 -4.4387 -2.4452 -2.4452 -2.2729 -2.2729 8.2157 8.2157 8.3301 8.3301 k = 0.3190 0.1902 0.2199 ( 2652 PWs) bands (ev): -27.0498 -27.0498 -27.0406 -27.0406 -23.1167 -23.1167 -23.0920 -23.0920 -9.4036 -9.4036 -9.2617 -9.2617 -7.0134 -7.0134 -7.0053 -7.0053 -6.5402 -6.5402 -6.5097 -6.5097 -4.6399 -4.6399 -4.6067 -4.6067 -4.4676 -4.4676 -4.4419 -4.4419 -2.4407 -2.4407 -2.2733 -2.2733 8.3188 8.3188 8.4277 8.4277 k = 0.3276 0.1954 0.2199 ( 2648 PWs) bands (ev): -27.0466 -27.0466 -27.0376 -27.0376 -23.1151 -23.1151 -23.0911 -23.0911 -9.4012 -9.4012 -9.2627 -9.2627 -7.0343 -7.0343 -7.0267 -7.0267 -6.5446 -6.5446 -6.5149 -6.5149 -4.6474 -4.6474 -4.6160 -4.6160 -4.4683 -4.4683 -4.4449 -4.4449 -2.4362 -2.4362 -2.2740 -2.2740 8.4232 8.4232 8.5261 8.5261 k = 0.3362 0.2005 0.2199 ( 2648 PWs) bands (ev): -27.0434 -27.0434 -27.0347 -27.0347 -23.1135 -23.1135 -23.0903 -23.0903 -9.3987 -9.3987 -9.2639 -9.2639 -7.0545 -7.0545 -7.0474 -7.0474 -6.5489 -6.5489 -6.5201 -6.5201 -4.6547 -4.6547 -4.6251 -4.6251 -4.4689 -4.4689 -4.4477 -4.4477 -2.4315 -2.4315 -2.2749 -2.2749 8.5288 8.5288 8.6252 8.6252 k = 0.3448 0.2056 0.2199 ( 2644 PWs) bands (ev): -27.0404 -27.0404 -27.0319 -27.0319 -23.1120 -23.1120 -23.0895 -23.0895 -9.3960 -9.3960 -9.2654 -9.2654 -7.0739 -7.0739 -7.0673 -7.0673 -6.5530 -6.5530 -6.5251 -6.5251 -4.6619 -4.6619 -4.6339 -4.6339 -4.4695 -4.4695 -4.4503 -4.4503 -2.4267 -2.4267 -2.2762 -2.2762 8.6357 8.6357 8.7249 8.7249 k = 0.3534 0.2108 0.2199 ( 2644 PWs) bands (ev): -27.0374 -27.0374 -27.0293 -27.0293 -23.1105 -23.1105 -23.0888 -23.0888 -9.3931 -9.3931 -9.2671 -9.2671 -7.0925 -7.0925 -7.0864 -7.0864 -6.5568 -6.5568 -6.5300 -6.5300 -4.6688 -4.6688 -4.6425 -4.6425 -4.4701 -4.4701 -4.4527 -4.4527 -2.4218 -2.4218 -2.2777 -2.2777 8.7435 8.7435 8.8252 8.8252 k = 0.3621 0.2159 0.2199 ( 2636 PWs) bands (ev): -27.0345 -27.0345 -27.0267 -27.0267 -23.1089 -23.1089 -23.0881 -23.0881 -9.3900 -9.3900 -9.2691 -9.2691 -7.1103 -7.1103 -7.1046 -7.1046 -6.5604 -6.5604 -6.5347 -6.5347 -4.6755 -4.6755 -4.6507 -4.6507 -4.4707 -4.4707 -4.4550 -4.4550 -2.4169 -2.4169 -2.2795 -2.2795 8.8523 8.8523 8.9259 8.9259 k = 0.3707 0.2211 0.2199 ( 2636 PWs) bands (ev): -27.0317 -27.0317 -27.0243 -27.0243 -23.1074 -23.1074 -23.0876 -23.0876 -9.3867 -9.3867 -9.2713 -9.2713 -7.1272 -7.1272 -7.1219 -7.1219 -6.5638 -6.5638 -6.5393 -6.5393 -4.6819 -4.6819 -4.6586 -4.6586 -4.4713 -4.4713 -4.4571 -4.4571 -2.4119 -2.4119 -2.2815 -2.2815 8.9618 8.9618 9.0269 9.0269 k = 0.3793 0.2262 0.2199 ( 2628 PWs) bands (ev): -27.0290 -27.0290 -27.0220 -27.0220 -23.1059 -23.1059 -23.0871 -23.0871 -9.3833 -9.3833 -9.2737 -9.2737 -7.1431 -7.1431 -7.1383 -7.1383 -6.5669 -6.5669 -6.5437 -6.5437 -4.6880 -4.6880 -4.6662 -4.6662 -4.4719 -4.4719 -4.4590 -4.4590 -2.4068 -2.4068 -2.2837 -2.2837 9.0720 9.0720 9.1281 9.1281 k = 0.3879 0.2313 0.2199 ( 2630 PWs) bands (ev): -27.0265 -27.0265 -27.0199 -27.0199 -23.1045 -23.1045 -23.0868 -23.0868 -9.3798 -9.3798 -9.2763 -9.2763 -7.1582 -7.1582 -7.1538 -7.1538 -6.5698 -6.5698 -6.5479 -6.5479 -4.6937 -4.6937 -4.6734 -4.6734 -4.4725 -4.4725 -4.4609 -4.4609 -2.4016 -2.4016 -2.2862 -2.2862 9.1826 9.1826 9.2294 9.2294 k = 0.3966 0.2365 0.2199 ( 2638 PWs) bands (ev): -27.0241 -27.0241 -27.0179 -27.0179 -23.1030 -23.1030 -23.0865 -23.0865 -9.3761 -9.3761 -9.2791 -9.2791 -7.1722 -7.1722 -7.1682 -7.1682 -6.5724 -6.5724 -6.5519 -6.5519 -4.6990 -4.6990 -4.6803 -4.6803 -4.4730 -4.4730 -4.4626 -4.4626 -2.3965 -2.3965 -2.2889 -2.2889 9.2934 9.2934 9.3305 9.3305 k = 0.4052 0.2416 0.2199 ( 2644 PWs) bands (ev): -27.0218 -27.0218 -27.0161 -27.0161 -23.1016 -23.1016 -23.0863 -23.0863 -9.3722 -9.3722 -9.2822 -9.2822 -7.1852 -7.1852 -7.1816 -7.1816 -6.5747 -6.5747 -6.5557 -6.5557 -4.7040 -4.7040 -4.6867 -4.6867 -4.4734 -4.4734 -4.4641 -4.4641 -2.3913 -2.3913 -2.2918 -2.2918 9.4042 9.4042 9.4314 9.4314 k = 0.4138 0.2468 0.2199 ( 2648 PWs) bands (ev): -27.0197 -27.0197 -27.0144 -27.0144 -23.1003 -23.1003 -23.0862 -23.0862 -9.3683 -9.3683 -9.2854 -9.2854 -7.1971 -7.1971 -7.1940 -7.1940 -6.5768 -6.5768 -6.5593 -6.5593 -4.7084 -4.7084 -4.6927 -4.6927 -4.4739 -4.4739 -4.4656 -4.4656 -2.3861 -2.3861 -2.2950 -2.2950 9.5146 9.5146 9.5318 9.5318 k = 0.4224 0.2519 0.2199 ( 2648 PWs) bands (ev): -27.0178 -27.0178 -27.0130 -27.0130 -23.0990 -23.0990 -23.0861 -23.0861 -9.3643 -9.3643 -9.2888 -9.2888 -7.2080 -7.2080 -7.2052 -7.2052 -6.5786 -6.5786 -6.5627 -6.5627 -4.7125 -4.7125 -4.6982 -4.6982 -4.4742 -4.4742 -4.4669 -4.4669 -2.3809 -2.3809 -2.2983 -2.2983 9.6242 9.6242 9.6313 9.6313 k = 0.4310 0.2571 0.2199 ( 2656 PWs) bands (ev): -27.0160 -27.0160 -27.0116 -27.0116 -23.0977 -23.0977 -23.0862 -23.0862 -9.3601 -9.3601 -9.2923 -9.2923 -7.2178 -7.2178 -7.2154 -7.2154 -6.5801 -6.5801 -6.5659 -6.5659 -4.7160 -4.7160 -4.7033 -4.7033 -4.4746 -4.4746 -4.4682 -4.4682 -2.3757 -2.3757 -2.3018 -2.3018 9.7295 9.7295 9.7325 9.7325 k = 0.4397 0.2622 0.2199 ( 2648 PWs) bands (ev): -27.0143 -27.0143 -27.0105 -27.0105 -23.0965 -23.0965 -23.0863 -23.0863 -9.3559 -9.3559 -9.2960 -9.2960 -7.2265 -7.2265 -7.2244 -7.2244 -6.5813 -6.5813 -6.5688 -6.5688 -4.7191 -4.7191 -4.7080 -4.7080 -4.4748 -4.4748 -4.4693 -4.4693 -2.3705 -2.3705 -2.3055 -2.3055 9.8261 9.8261 9.8385 9.8385 k = 0.4483 0.2673 0.2199 ( 2644 PWs) bands (ev): -27.0128 -27.0128 -27.0096 -27.0096 -23.0953 -23.0953 -23.0865 -23.0865 -9.3516 -9.3516 -9.2999 -9.2999 -7.2340 -7.2340 -7.2322 -7.2322 -6.5823 -6.5823 -6.5714 -6.5714 -4.7217 -4.7217 -4.7121 -4.7121 -4.4750 -4.4750 -4.4703 -4.4703 -2.3654 -2.3654 -2.3094 -2.3094 9.9201 9.9201 9.9411 9.9411 k = 0.4569 0.2725 0.2199 ( 2642 PWs) bands (ev): -27.0115 -27.0115 -27.0088 -27.0088 -23.0942 -23.0942 -23.0868 -23.0868 -9.3472 -9.3472 -9.3039 -9.3039 -7.2404 -7.2404 -7.2389 -7.2389 -6.5829 -6.5829 -6.5738 -6.5738 -4.7238 -4.7238 -4.7158 -4.7158 -4.4750 -4.4750 -4.4712 -4.4712 -2.3602 -2.3602 -2.3134 -2.3134 10.0104 10.0104 10.0386 10.0386 k = 0.4655 0.2776 0.2199 ( 2650 PWs) bands (ev): -27.0104 -27.0104 -27.0082 -27.0082 -23.0931 -23.0931 -23.0872 -23.0872 -9.3428 -9.3428 -9.3080 -9.3080 -7.2456 -7.2456 -7.2444 -7.2444 -6.5833 -6.5833 -6.5760 -6.5760 -4.7254 -4.7254 -4.7189 -4.7189 -4.4751 -4.4751 -4.4720 -4.4720 -2.3552 -2.3552 -2.3176 -2.3176 10.0953 10.0953 10.1281 10.1281 k = 0.4741 0.2828 0.2199 ( 2644 PWs) bands (ev): -27.0095 -27.0095 -27.0078 -27.0078 -23.0921 -23.0921 -23.0877 -23.0877 -9.3384 -9.3384 -9.3121 -9.3121 -7.2496 -7.2496 -7.2488 -7.2488 -6.5834 -6.5834 -6.5779 -6.5779 -4.7264 -4.7264 -4.7216 -4.7216 -4.4750 -4.4750 -4.4727 -4.4727 -2.3502 -2.3502 -2.3219 -2.3219 10.1721 10.1721 10.2057 10.2057 k = 0.4828 0.2879 0.2199 ( 2644 PWs) bands (ev): -27.0088 -27.0088 -27.0076 -27.0076 -23.0912 -23.0912 -23.0882 -23.0882 -9.3340 -9.3340 -9.3164 -9.3164 -7.2525 -7.2525 -7.2519 -7.2519 -6.5832 -6.5832 -6.5795 -6.5795 -4.7269 -4.7269 -4.7237 -4.7237 -4.4748 -4.4748 -4.4733 -4.4733 -2.3452 -2.3452 -2.3263 -2.3263 10.2370 10.2370 10.2655 10.2655 k = 0.4914 0.2930 0.2199 ( 2644 PWs) bands (ev): -27.0082 -27.0082 -27.0076 -27.0076 -23.0904 -23.0904 -23.0889 -23.0889 -9.3295 -9.3295 -9.3207 -9.3207 -7.2541 -7.2541 -7.2538 -7.2538 -6.5827 -6.5827 -6.5808 -6.5808 -4.7269 -4.7269 -4.7253 -4.7253 -4.4746 -4.4746 -4.4738 -4.4738 -2.3404 -2.3404 -2.3309 -2.3309 10.2842 10.2842 10.3009 10.3009 k = 0.5000 0.2982 0.2199 ( 2644 PWs) bands (ev): -27.0078 -27.0078 -27.0078 -27.0078 -23.0896 -23.0896 -23.0896 -23.0896 -9.3251 -9.3251 -9.3251 -9.3251 -7.2546 -7.2546 -7.2546 -7.2546 -6.5819 -6.5819 -6.5819 -6.5819 -4.7264 -4.7264 -4.7264 -4.7264 -4.4743 -4.4743 -4.4743 -4.4743 -2.3356 -2.3356 -2.3356 -2.3356 10.3072 10.3072 10.3072 10.3072 k = 0.5000 0.2982-0.0000 ( 2650 PWs) bands (ev): -27.0595 -27.0595 -26.9538 -26.9538 -23.1943 -23.1943 -22.9863 -22.9863 -9.5025 -9.5025 -9.1194 -9.1194 -7.3645 -7.3645 -7.2053 -7.2053 -6.6885 -6.6885 -6.4545 -6.4545 -4.8680 -4.8680 -4.5973 -4.5973 -4.5490 -4.5490 -4.3243 -4.3243 -2.5519 -2.5519 -2.1685 -2.1685 9.9804 9.9804 10.6885 10.6885 k = 0.5052 0.2895-0.0000 ( 2646 PWs) bands (ev): -27.0595 -27.0595 -26.9538 -26.9538 -23.1943 -23.1943 -22.9864 -22.9864 -9.5023 -9.5023 -9.1195 -9.1195 -7.3642 -7.3642 -7.2050 -7.2050 -6.6891 -6.6891 -6.4552 -6.4552 -4.8679 -4.8679 -4.5972 -4.5972 -4.5491 -4.5491 -4.3246 -4.3246 -2.5517 -2.5517 -2.1686 -2.1686 9.9811 9.9811 10.6904 10.6904 k = 0.5104 0.2808-0.0000 ( 2646 PWs) bands (ev): -27.0593 -27.0593 -26.9538 -26.9538 -23.1941 -23.1941 -22.9866 -22.9866 -9.5020 -9.5020 -9.1200 -9.1200 -7.3632 -7.3632 -7.2041 -7.2041 -6.6907 -6.6907 -6.4571 -6.4571 -4.8676 -4.8676 -4.5969 -4.5969 -4.5492 -4.5492 -4.3254 -4.3254 -2.5510 -2.5510 -2.1689 -2.1689 9.9830 9.9830 10.6960 10.6960 k = 0.5156 0.2720-0.0000 ( 2645 PWs) bands (ev): -27.0591 -27.0591 -26.9539 -26.9539 -23.1937 -23.1937 -22.9869 -22.9869 -9.5015 -9.5015 -9.1208 -9.1208 -7.3616 -7.3616 -7.2026 -7.2026 -6.6934 -6.6934 -6.4603 -6.4603 -4.8670 -4.8670 -4.5964 -4.5964 -4.5494 -4.5494 -4.3267 -4.3267 -2.5499 -2.5499 -2.1695 -2.1695 9.9861 9.9861 10.7054 10.7054 k = 0.5208 0.2633-0.0000 ( 2651 PWs) bands (ev): -27.0587 -27.0587 -26.9540 -26.9540 -23.1932 -23.1932 -22.9873 -22.9873 -9.5007 -9.5007 -9.1220 -9.1220 -7.3593 -7.3593 -7.2006 -7.2006 -6.6971 -6.6971 -6.4648 -6.4648 -4.8663 -4.8663 -4.5957 -4.5957 -4.5497 -4.5497 -4.3286 -4.3286 -2.5484 -2.5484 -2.1704 -2.1704 9.9905 9.9905 10.7184 10.7184 k = 0.5260 0.2546-0.0000 ( 2651 PWs) bands (ev): -27.0582 -27.0582 -26.9541 -26.9541 -23.1926 -23.1926 -22.9878 -22.9878 -9.4998 -9.4998 -9.1234 -9.1234 -7.3564 -7.3564 -7.1979 -7.1979 -6.7018 -6.7018 -6.4705 -6.4705 -4.8654 -4.8654 -4.5949 -4.5949 -4.5500 -4.5500 -4.3310 -4.3310 -2.5464 -2.5464 -2.1715 -2.1715 9.9962 9.9962 10.7351 10.7351 k = 0.5312 0.2459-0.0000 ( 2659 PWs) bands (ev): -27.0577 -27.0577 -26.9542 -26.9542 -23.1918 -23.1918 -22.9885 -22.9885 -9.4986 -9.4986 -9.1253 -9.1253 -7.3529 -7.3529 -7.1946 -7.1946 -6.7076 -6.7076 -6.4774 -6.4774 -4.8642 -4.8642 -4.5938 -4.5938 -4.5504 -4.5504 -4.3340 -4.3340 -2.5441 -2.5441 -2.1728 -2.1728 10.0031 10.0031 10.7554 10.7554 k = 0.5364 0.2372-0.0000 ( 2655 PWs) bands (ev): -27.0570 -27.0570 -26.9544 -26.9544 -23.1909 -23.1909 -22.9892 -22.9892 -9.4972 -9.4972 -9.1274 -9.1274 -7.3487 -7.3487 -7.1908 -7.1908 -6.7143 -6.7143 -6.4855 -6.4855 -4.8628 -4.8628 -4.5927 -4.5927 -4.5509 -4.5509 -4.3374 -4.3374 -2.5413 -2.5413 -2.1743 -2.1743 10.0113 10.0113 10.7792 10.7792 k = 0.5416 0.2285-0.0000 ( 2649 PWs) bands (ev): -27.0562 -27.0562 -26.9545 -26.9545 -23.1899 -23.1899 -22.9901 -22.9901 -9.4955 -9.4955 -9.1298 -9.1298 -7.3439 -7.3439 -7.1864 -7.1864 -6.7219 -6.7219 -6.4947 -6.4947 -4.8613 -4.8613 -4.5914 -4.5914 -4.5513 -4.5513 -4.3413 -4.3413 -2.5380 -2.5380 -2.1761 -2.1761 10.0208 10.0208 10.8065 10.8065 k = 0.5468 0.2198-0.0000 ( 2645 PWs) bands (ev): -27.0554 -27.0554 -26.9548 -26.9548 -23.1887 -23.1887 -22.9911 -22.9911 -9.4937 -9.4937 -9.1326 -9.1326 -7.3384 -7.3384 -7.1814 -7.1814 -6.7303 -6.7303 -6.5049 -6.5049 -4.8595 -4.8595 -4.5901 -4.5901 -4.5517 -4.5517 -4.3457 -4.3457 -2.5344 -2.5344 -2.1781 -2.1781 10.0316 10.0316 10.8370 10.8370 k = 0.5520 0.2110-0.0000 ( 2653 PWs) bands (ev): -27.0544 -27.0544 -26.9550 -26.9550 -23.1874 -23.1874 -22.9923 -22.9923 -9.4917 -9.4917 -9.1356 -9.1356 -7.3324 -7.3324 -7.1759 -7.1759 -6.7396 -6.7396 -6.5162 -6.5162 -4.8576 -4.8576 -4.5887 -4.5887 -4.5521 -4.5521 -4.3506 -4.3506 -2.5304 -2.5304 -2.1804 -2.1804 10.0437 10.0437 10.8708 10.8708 k = 0.5572 0.2023-0.0000 ( 2657 PWs) bands (ev): -27.0534 -27.0534 -26.9553 -26.9553 -23.1860 -23.1860 -22.9935 -22.9935 -9.4894 -9.4894 -9.1390 -9.1390 -7.3258 -7.3258 -7.1698 -7.1698 -6.7496 -6.7496 -6.5284 -6.5284 -4.8554 -4.8554 -4.5874 -4.5874 -4.5524 -4.5524 -4.3559 -4.3559 -2.5261 -2.5261 -2.1829 -2.1829 10.0571 10.0571 10.9077 10.9077 k = 0.5624 0.1936-0.0000 ( 2657 PWs) bands (ev): -27.0523 -27.0523 -26.9557 -26.9557 -23.1845 -23.1845 -22.9949 -22.9949 -9.4870 -9.4870 -9.1427 -9.1427 -7.3186 -7.3186 -7.1632 -7.1632 -6.7603 -6.7603 -6.5415 -6.5415 -4.8531 -4.8531 -4.5862 -4.5862 -4.5525 -4.5525 -4.3616 -4.3616 -2.5213 -2.5213 -2.1856 -2.1856 10.0718 10.0718 10.9475 10.9475 k = 0.5676 0.1849-0.0000 ( 2659 PWs) bands (ev): -27.0511 -27.0511 -26.9561 -26.9561 -23.1828 -23.1828 -22.9963 -22.9963 -9.4843 -9.4843 -9.1468 -9.1468 -7.3108 -7.3108 -7.1561 -7.1561 -6.7716 -6.7716 -6.5554 -6.5554 -4.8506 -4.8506 -4.5852 -4.5852 -4.5523 -4.5523 -4.3677 -4.3677 -2.5162 -2.5162 -2.1886 -2.1886 10.0878 10.0878 10.9901 10.9901 k = 0.5727 0.1762-0.0000 ( 2659 PWs) bands (ev): -27.0499 -27.0499 -26.9565 -26.9565 -23.1810 -23.1810 -22.9979 -22.9979 -9.4814 -9.4814 -9.1511 -9.1511 -7.3025 -7.3025 -7.1485 -7.1485 -6.7835 -6.7835 -6.5700 -6.5700 -4.8479 -4.8479 -4.5844 -4.5844 -4.5519 -4.5519 -4.3742 -4.3742 -2.5108 -2.5108 -2.1917 -2.1917 10.1052 10.1052 11.0352 11.0352 k = 0.5779 0.1675-0.0000 ( 2659 PWs) bands (ev): -27.0486 -27.0486 -26.9570 -26.9570 -23.1791 -23.1791 -22.9997 -22.9997 -9.4783 -9.4783 -9.1557 -9.1557 -7.2936 -7.2936 -7.1404 -7.1404 -6.7958 -6.7958 -6.5852 -6.5852 -4.8450 -4.8450 -4.5840 -4.5840 -4.5510 -4.5510 -4.3810 -4.3810 -2.5051 -2.5051 -2.1952 -2.1952 10.1239 10.1239 11.0828 11.0828 k = 0.5831 0.1588-0.0000 ( 2661 PWs) bands (ev): -27.0472 -27.0472 -26.9575 -26.9575 -23.1771 -23.1771 -23.0015 -23.0015 -9.4750 -9.4750 -9.1606 -9.1606 -7.2842 -7.2842 -7.1319 -7.1319 -6.8085 -6.8085 -6.6011 -6.6011 -4.8420 -4.8420 -4.5840 -4.5840 -4.5498 -4.5498 -4.3881 -4.3881 -2.4991 -2.4991 -2.1988 -2.1988 10.1440 10.1440 11.1325 11.1325 k = 0.5883 0.1501-0.0000 ( 2661 PWs) bands (ev): -27.0457 -27.0457 -26.9581 -26.9581 -23.1750 -23.1750 -23.0034 -23.0034 -9.4715 -9.4715 -9.1659 -9.1659 -7.2743 -7.2743 -7.1229 -7.1229 -6.8215 -6.8215 -6.6173 -6.6173 -4.8388 -4.8388 -4.5843 -4.5843 -4.5482 -4.5482 -4.3954 -4.3954 -2.4928 -2.4928 -2.2026 -2.2026 10.1655 10.1655 11.1690 11.1690 k = 0.5935 0.1413-0.0000 ( 2665 PWs) bands (ev): -27.0443 -27.0443 -26.9588 -26.9588 -23.1727 -23.1727 -23.0055 -23.0055 -9.4679 -9.4679 -9.1714 -9.1714 -7.2639 -7.2639 -7.1134 -7.1134 -6.8348 -6.8348 -6.6341 -6.6341 -4.8354 -4.8354 -4.5850 -4.5850 -4.5462 -4.5462 -4.4030 -4.4030 -2.4862 -2.4862 -2.2067 -2.2067 10.1884 10.1884 11.1953 11.1953 k = 0.5987 0.1326-0.0000 ( 2653 PWs) bands (ev): -27.0427 -27.0427 -26.9595 -26.9595 -23.1704 -23.1704 -23.0077 -23.0077 -9.4640 -9.4640 -9.1772 -9.1772 -7.2531 -7.2531 -7.1036 -7.1036 -6.8482 -6.8482 -6.6511 -6.6511 -4.8319 -4.8319 -4.5859 -4.5859 -4.5440 -4.5440 -4.4107 -4.4107 -2.4794 -2.4794 -2.2110 -2.2110 10.2127 10.2127 11.2217 11.2217 k = 0.6039 0.1239-0.0000 ( 2653 PWs) bands (ev): -27.0412 -27.0412 -26.9603 -26.9603 -23.1680 -23.1680 -23.0100 -23.0100 -9.4599 -9.4599 -9.1832 -9.1832 -7.2418 -7.2418 -7.0933 -7.0933 -6.8616 -6.8616 -6.6683 -6.6683 -4.8283 -4.8283 -4.5872 -4.5872 -4.5415 -4.5415 -4.4186 -4.4186 -2.4723 -2.4723 -2.2155 -2.2155 10.2384 10.2384 11.2474 11.2474 k = 0.6091 0.1152-0.0000 ( 2653 PWs) bands (ev): -27.0396 -27.0396 -26.9612 -26.9612 -23.1654 -23.1654 -23.0124 -23.0124 -9.4556 -9.4556 -9.1896 -9.1896 -7.2301 -7.2301 -7.0828 -7.0828 -6.8751 -6.8751 -6.6857 -6.6857 -4.8246 -4.8246 -4.5885 -4.5885 -4.5389 -4.5389 -4.4264 -4.4264 -2.4651 -2.4651 -2.2202 -2.2202 10.2656 10.2656 11.2718 11.2718 k = 0.6143 0.1065-0.0000 ( 2657 PWs) bands (ev): -27.0380 -27.0380 -26.9622 -26.9622 -23.1628 -23.1628 -23.0150 -23.0150 -9.4512 -9.4512 -9.1962 -9.1962 -7.2180 -7.2180 -7.0720 -7.0720 -6.8884 -6.8884 -6.7032 -6.7032 -4.8207 -4.8207 -4.5901 -4.5901 -4.5362 -4.5362 -4.4343 -4.4343 -2.4576 -2.4576 -2.2252 -2.2252 10.2941 10.2941 11.2934 11.2934 k = 0.6195 0.0978-0.0000 ( 2665 PWs) bands (ev): -27.0364 -27.0364 -26.9632 -26.9632 -23.1602 -23.1602 -23.0176 -23.0176 -9.4465 -9.4465 -9.2031 -9.2031 -7.2056 -7.2056 -7.0609 -7.0609 -6.9016 -6.9016 -6.7206 -6.7206 -4.8167 -4.8167 -4.5917 -4.5917 -4.5335 -4.5335 -4.4420 -4.4420 -2.4500 -2.4500 -2.2304 -2.2304 10.3241 10.3241 11.3105 11.3105 k = 0.6247 0.0891-0.0000 ( 2657 PWs) bands (ev): -27.0348 -27.0348 -26.9644 -26.9644 -23.1574 -23.1574 -23.0204 -23.0204 -9.4417 -9.4417 -9.2102 -9.2102 -7.1928 -7.1928 -7.0496 -7.0496 -6.9143 -6.9143 -6.7378 -6.7378 -4.8126 -4.8126 -4.5933 -4.5933 -4.5310 -4.5310 -4.4494 -4.4494 -2.4422 -2.4422 -2.2357 -2.2357 10.3555 10.3555 11.3208 11.3208 k = 0.6299 0.0803-0.0000 ( 2657 PWs) bands (ev): -27.0331 -27.0331 -26.9656 -26.9656 -23.1545 -23.1545 -23.0232 -23.0232 -9.4366 -9.4366 -9.2176 -9.2176 -7.1798 -7.1798 -7.0383 -7.0383 -6.9267 -6.9267 -6.7547 -6.7547 -4.8085 -4.8085 -4.5950 -4.5950 -4.5289 -4.5289 -4.4565 -4.4565 -2.4342 -2.4342 -2.2413 -2.2413 10.3884 10.3884 11.3217 11.3217 k = 0.6351 0.0716-0.0000 ( 2663 PWs) bands (ev): -27.0315 -27.0315 -26.9670 -26.9670 -23.1516 -23.1516 -23.0262 -23.0262 -9.4314 -9.4314 -9.2252 -9.2252 -7.1665 -7.1665 -7.0271 -7.0271 -6.9384 -6.9384 -6.7712 -6.7712 -4.8042 -4.8042 -4.5966 -4.5966 -4.5272 -4.5272 -4.4628 -4.4628 -2.4261 -2.4261 -2.2470 -2.2470 10.4225 10.4225 11.3108 11.3108 k = 0.6403 0.0629-0.0000 ( 2663 PWs) bands (ev): -27.0299 -27.0299 -26.9684 -26.9684 -23.1486 -23.1486 -23.0293 -23.0293 -9.4260 -9.4260 -9.2330 -9.2330 -7.1531 -7.1531 -7.0162 -7.0162 -6.9493 -6.9493 -6.7872 -6.7872 -4.7999 -4.7999 -4.5981 -4.5981 -4.5264 -4.5264 -4.4681 -4.4681 -2.4179 -2.4179 -2.2530 -2.2530 10.4580 10.4580 11.2866 11.2866 k = 0.6455 0.0542-0.0000 ( 2659 PWs) bands (ev): -27.0284 -27.0284 -26.9700 -26.9700 -23.1456 -23.1456 -23.0326 -23.0326 -9.4205 -9.4205 -9.2410 -9.2410 -7.1397 -7.1397 -7.0061 -7.0061 -6.9587 -6.9587 -6.8023 -6.8023 -4.7955 -4.7955 -4.5996 -4.5996 -4.5268 -4.5268 -4.4722 -4.4722 -2.4097 -2.4097 -2.2592 -2.2592 10.4946 10.4946 11.2491 11.2491 k = 0.6507 0.0455-0.0000 ( 2659 PWs) bands (ev): -27.0268 -27.0268 -26.9716 -26.9716 -23.1425 -23.1425 -23.0359 -23.0359 -9.4147 -9.4147 -9.2492 -9.2492 -7.1263 -7.1263 -6.9982 -6.9982 -6.9656 -6.9656 -6.8164 -6.8164 -4.7911 -4.7911 -4.6009 -4.6009 -4.5285 -4.5285 -4.4746 -4.4746 -2.4013 -2.4013 -2.2656 -2.2656 10.5320 10.5320 11.1994 11.1994 k = 0.6559 0.0368-0.0000 ( 2665 PWs) bands (ev): -27.0253 -27.0253 -26.9734 -26.9734 -23.1393 -23.1393 -23.0393 -23.0393 -9.4088 -9.4088 -9.2576 -9.2576 -7.1132 -7.1132 -6.9951 -6.9951 -6.9674 -6.9674 -6.8290 -6.8290 -4.7866 -4.7866 -4.6022 -4.6022 -4.5316 -4.5316 -4.4755 -4.4755 -2.3928 -2.3928 -2.2722 -2.2722 10.5699 10.5699 11.1396 11.1396 k = 0.6611 0.0281-0.0000 ( 2665 PWs) bands (ev): -27.0238 -27.0238 -26.9753 -26.9753 -23.1362 -23.1362 -23.0428 -23.0428 -9.4026 -9.4026 -9.2662 -9.2662 -7.1007 -7.1007 -6.9970 -6.9970 -6.9639 -6.9639 -6.8395 -6.8395 -4.7821 -4.7821 -4.6032 -4.6032 -4.5358 -4.5358 -4.4749 -4.4749 -2.3843 -2.3843 -2.2790 -2.2790 10.6070 10.6070 11.0724 11.0724 k = 0.3389-0.5683-0.0000 ( 2665 PWs) bands (ev): -27.0238 -27.0238 -26.9753 -26.9753 -23.1362 -23.1362 -23.0428 -23.0428 -9.4026 -9.4026 -9.2662 -9.2662 -7.1007 -7.1007 -6.9970 -6.9970 -6.9639 -6.9639 -6.8395 -6.8395 -4.7821 -4.7821 -4.6032 -4.6032 -4.5358 -4.5358 -4.4749 -4.4749 -2.3843 -2.3843 -2.2790 -2.2790 10.6070 10.6070 11.0724 11.0724 k = 0.3337-0.5596-0.0000 ( 2659 PWs) bands (ev): -27.0224 -27.0224 -26.9774 -26.9774 -23.1329 -23.1329 -23.0465 -23.0465 -9.3963 -9.3963 -9.2750 -9.2750 -7.0893 -7.0893 -7.0003 -7.0003 -6.9591 -6.9591 -6.8473 -6.8473 -4.7776 -4.7776 -4.6041 -4.6041 -4.5408 -4.5408 -4.4733 -4.4733 -2.3758 -2.3758 -2.2859 -2.2859 10.6409 10.6409 11.0017 11.0017 k = 0.3285-0.5508-0.0000 ( 2651 PWs) bands (ev): -27.0210 -27.0210 -26.9795 -26.9795 -23.1296 -23.1296 -23.0502 -23.0502 -9.3898 -9.3898 -9.2839 -9.2839 -7.0798 -7.0798 -7.0021 -7.0021 -6.9560 -6.9560 -6.8513 -6.8513 -4.7731 -4.7731 -4.6048 -4.6048 -4.5462 -4.5462 -4.4709 -4.4709 -2.3672 -2.3672 -2.2931 -2.2931 10.6643 10.6643 10.9361 10.9361 k = 0.3233-0.5421-0.0000 ( 2651 PWs) bands (ev): -27.0197 -27.0197 -26.9818 -26.9818 -23.1263 -23.1263 -23.0540 -23.0540 -9.3831 -9.3831 -9.2930 -9.2930 -7.0731 -7.0731 -7.0009 -7.0009 -6.9555 -6.9555 -6.8510 -6.8510 -4.7685 -4.7685 -4.6054 -4.6054 -4.5517 -4.5517 -4.4679 -4.4679 -2.3585 -2.3585 -2.3005 -2.3005 10.6599 10.6599 10.8940 10.8940 k = 0.3181-0.5333-0.0000 ( 2639 PWs) bands (ev): -27.0184 -27.0184 -26.9842 -26.9842 -23.1230 -23.1230 -23.0580 -23.0580 -9.3763 -9.3763 -9.3022 -9.3022 -7.0696 -7.0696 -6.9964 -6.9964 -6.9574 -6.9574 -6.8465 -6.8465 -4.7640 -4.7640 -4.6059 -4.6059 -4.5571 -4.5571 -4.4646 -4.4646 -2.3499 -2.3499 -2.3081 -2.3081 10.6111 10.6111 10.8929 10.8929 k = 0.3128-0.5246-0.0000 ( 2637 PWs) bands (ev): -27.0172 -27.0172 -26.9867 -26.9867 -23.1196 -23.1196 -23.0620 -23.0620 -9.3693 -9.3693 -9.3115 -9.3115 -7.0687 -7.0687 -6.9902 -6.9902 -6.9600 -6.9600 -6.8388 -6.8388 -4.7594 -4.7594 -4.6064 -4.6064 -4.5622 -4.5622 -4.4610 -4.4610 -2.3412 -2.3412 -2.3158 -2.3158 10.5299 10.5299 10.9214 10.9214 k = 0.3076-0.5158-0.0000 ( 2637 PWs) bands (ev): -27.0161 -27.0161 -26.9894 -26.9894 -23.1163 -23.1163 -23.0661 -23.0661 -9.3621 -9.3621 -9.3208 -9.3208 -7.0694 -7.0694 -6.9862 -6.9862 -6.9591 -6.9591 -6.8287 -6.8287 -4.7549 -4.7549 -4.6069 -4.6069 -4.5666 -4.5666 -4.4572 -4.4572 -2.3326 -2.3326 -2.3237 -2.3237 10.4330 10.4330 10.9634 10.9634 k = 0.3024-0.5071-0.0000 ( 2637 PWs) bands (ev): -27.0151 -27.0151 -26.9922 -26.9922 -23.1129 -23.1129 -23.0704 -23.0704 -9.3548 -9.3548 -9.3303 -9.3303 -7.0708 -7.0708 -6.9881 -6.9881 -6.9513 -6.9513 -6.8170 -6.8170 -4.7503 -4.7503 -4.6076 -4.6076 -4.5703 -4.5703 -4.4533 -4.4533 -2.3320 -2.3320 -2.3239 -2.3239 10.3279 10.3279 11.0116 11.0116 k = 0.2972-0.4984-0.0000 ( 2635 PWs) bands (ev): -27.0142 -27.0142 -26.9951 -26.9951 -23.1095 -23.1095 -23.0747 -23.0747 -9.3473 -9.3473 -9.3398 -9.3398 -7.0722 -7.0722 -6.9936 -6.9936 -6.9391 -6.9391 -6.8042 -6.8042 -4.7457 -4.7457 -4.6087 -4.6087 -4.5730 -4.5730 -4.4494 -4.4494 -2.3402 -2.3402 -2.3154 -2.3154 10.2178 10.2178 11.0630 11.0630 k = 0.2920-0.4896-0.0000 ( 2633 PWs) bands (ev): -27.0134 -27.0134 -26.9981 -26.9981 -23.1061 -23.1061 -23.0790 -23.0790 -9.3494 -9.3494 -9.3397 -9.3397 -7.0733 -7.0733 -6.9999 -6.9999 -6.9251 -6.9251 -6.7907 -6.7907 -4.7411 -4.7411 -4.6103 -4.6103 -4.5746 -4.5746 -4.4454 -4.4454 -2.3487 -2.3487 -2.3068 -2.3068 10.1041 10.1041 11.1158 11.1158 k = 0.2868-0.4809-0.0000 ( 2637 PWs) bands (ev): -27.0126 -27.0126 -27.0013 -27.0013 -23.1027 -23.1027 -23.0835 -23.0835 -9.3590 -9.3590 -9.3319 -9.3319 -7.0738 -7.0738 -7.0063 -7.0063 -6.9101 -6.9101 -6.7767 -6.7767 -4.7364 -4.7364 -4.6123 -4.6123 -4.5750 -4.5750 -4.4414 -4.4414 -2.3574 -2.3574 -2.2983 -2.2983 9.9879 9.9879 11.1680 11.1680 k = 0.2816-0.4721-0.0000 ( 2637 PWs) bands (ev): -27.0120 -27.0120 -27.0047 -27.0047 -23.0994 -23.0994 -23.0880 -23.0880 -9.3686 -9.3686 -9.3240 -9.3240 -7.0736 -7.0736 -7.0122 -7.0122 -6.8946 -6.8946 -6.7624 -6.7624 -4.7317 -4.7317 -4.6147 -4.6147 -4.5743 -4.5743 -4.4373 -4.4373 -2.3662 -2.3662 -2.2898 -2.2898 9.8696 9.8696 11.2160 11.2160 k = 0.2763-0.4634-0.0000 ( 2643 PWs) bands (ev): -27.0115 -27.0115 -27.0081 -27.0081 -23.0960 -23.0960 -23.0926 -23.0926 -9.3783 -9.3783 -9.3160 -9.3160 -7.0726 -7.0726 -7.0176 -7.0176 -6.8788 -6.8788 -6.7479 -6.7479 -4.7269 -4.7269 -4.6172 -4.6172 -4.5727 -4.5727 -4.4333 -4.4333 -2.3752 -2.3752 -2.2814 -2.2814 9.7499 9.7499 11.2527 11.2527 k = 0.2711-0.4546-0.0000 ( 2641 PWs) bands (ev): -27.0117 -27.0117 -27.0110 -27.0110 -23.0973 -23.0973 -23.0927 -23.0927 -9.3879 -9.3879 -9.3078 -9.3078 -7.0707 -7.0707 -7.0221 -7.0221 -6.8628 -6.8628 -6.7332 -6.7332 -4.7220 -4.7220 -4.6199 -4.6199 -4.5703 -4.5703 -4.4293 -4.4293 -2.3844 -2.3844 -2.2731 -2.2731 9.6290 9.6290 11.2645 11.2645 k = 0.2659-0.4459-0.0000 ( 2653 PWs) bands (ev): -27.0154 -27.0154 -27.0107 -27.0107 -23.1020 -23.1020 -23.0893 -23.0893 -9.3975 -9.3975 -9.2995 -9.2995 -7.0678 -7.0678 -7.0259 -7.0259 -6.8468 -6.8468 -6.7185 -6.7185 -4.7170 -4.7170 -4.6224 -4.6224 -4.5672 -4.5672 -4.4254 -4.4254 -2.3938 -2.3938 -2.2648 -2.2648 9.5073 9.5073 11.2373 11.2373 k = 0.2607-0.4372-0.0000 ( 2649 PWs) bands (ev): -27.0193 -27.0193 -27.0105 -27.0105 -23.1068 -23.1068 -23.0860 -23.0860 -9.4070 -9.4070 -9.2911 -9.2911 -7.0640 -7.0640 -7.0286 -7.0286 -6.8306 -6.8306 -6.7037 -6.7037 -4.7118 -4.7118 -4.6247 -4.6247 -4.5636 -4.5636 -4.4215 -4.4215 -2.4033 -2.4033 -2.2565 -2.2565 9.3851 9.3851 11.1757 11.1757 k = 0.2555-0.4284-0.0000 ( 2653 PWs) bands (ev): -27.0232 -27.0232 -27.0104 -27.0104 -23.1116 -23.1116 -23.0828 -23.0828 -9.4166 -9.4166 -9.2826 -9.2826 -7.0593 -7.0593 -7.0305 -7.0305 -6.8145 -6.8145 -6.6889 -6.6889 -4.7065 -4.7065 -4.6268 -4.6268 -4.5596 -4.5596 -4.4176 -4.4176 -2.4130 -2.4130 -2.2484 -2.2484 9.2626 9.2626 11.0953 11.0953 k = 0.2503-0.4197-0.0000 ( 2649 PWs) bands (ev): -27.0273 -27.0273 -27.0104 -27.0104 -23.1165 -23.1165 -23.0795 -23.0795 -9.4260 -9.4260 -9.2740 -9.2740 -7.0535 -7.0535 -7.0313 -7.0313 -6.7984 -6.7984 -6.6742 -6.6742 -4.7010 -4.7010 -4.6286 -4.6286 -4.5551 -4.5551 -4.4138 -4.4138 -2.4229 -2.4229 -2.2403 -2.2403 9.1400 9.1400 11.0061 11.0061 k = 0.2451-0.4109-0.0000 ( 2653 PWs) bands (ev): -27.0315 -27.0315 -27.0105 -27.0105 -23.1214 -23.1214 -23.0763 -23.0763 -9.4354 -9.4354 -9.2653 -9.2653 -7.0468 -7.0468 -7.0312 -7.0312 -6.7823 -6.7823 -6.6596 -6.6596 -4.6953 -4.6953 -4.6300 -4.6300 -4.5503 -4.5503 -4.4101 -4.4101 -2.4329 -2.4329 -2.2323 -2.2323 9.0175 9.0175 10.9133 10.9133 k = 0.2398-0.4022-0.0000 ( 2653 PWs) bands (ev): -27.0357 -27.0357 -27.0108 -27.0108 -23.1263 -23.1263 -23.0732 -23.0732 -9.4447 -9.4447 -9.2566 -9.2566 -7.0391 -7.0391 -7.0299 -7.0299 -6.7664 -6.7664 -6.6451 -6.6451 -4.6895 -4.6895 -4.6312 -4.6312 -4.5452 -4.5452 -4.4064 -4.4064 -2.4430 -2.4430 -2.2244 -2.2244 8.8953 8.8953 10.8190 10.8190 k = 0.2346-0.3934-0.0000 ( 2653 PWs) bands (ev): -27.0401 -27.0401 -27.0111 -27.0111 -23.1313 -23.1313 -23.0701 -23.0701 -9.4539 -9.4539 -9.2478 -9.2478 -7.0308 -7.0308 -7.0273 -7.0273 -6.7505 -6.7505 -6.6307 -6.6307 -4.6834 -4.6834 -4.6319 -4.6319 -4.5398 -4.5398 -4.4028 -4.4028 -2.4533 -2.4533 -2.2165 -2.2165 8.7735 8.7735 10.7245 10.7245 k = 0.2294-0.3847-0.0000 ( 2657 PWs) bands (ev): -27.0446 -27.0446 -27.0115 -27.0115 -23.1363 -23.1363 -23.0670 -23.0670 -9.4631 -9.4631 -9.2389 -9.2389 -7.0251 -7.0251 -7.0201 -7.0201 -6.7348 -6.7348 -6.6164 -6.6164 -4.6772 -4.6772 -4.6323 -4.6323 -4.5341 -4.5341 -4.3993 -4.3993 -2.4638 -2.4638 -2.2088 -2.2088 8.6522 8.6522 10.6303 10.6303 k = 0.2242-0.3760-0.0000 ( 2649 PWs) bands (ev): -27.0491 -27.0491 -27.0121 -27.0121 -23.1414 -23.1414 -23.0640 -23.0640 -9.4721 -9.4721 -9.2300 -9.2300 -7.0206 -7.0206 -7.0096 -7.0096 -6.7193 -6.7193 -6.6024 -6.6024 -4.6707 -4.6707 -4.6323 -4.6323 -4.5282 -4.5282 -4.3959 -4.3959 -2.4744 -2.4744 -2.2012 -2.2012 8.5317 8.5317 10.5369 10.5369 k = 0.2190-0.3672-0.0000 ( 2649 PWs) bands (ev): -27.0538 -27.0538 -27.0127 -27.0127 -23.1464 -23.1464 -23.0610 -23.0610 -9.4809 -9.4809 -9.2211 -9.2211 -7.0152 -7.0152 -6.9981 -6.9981 -6.7039 -6.7039 -6.5885 -6.5885 -4.6641 -4.6641 -4.6320 -4.6320 -4.5221 -4.5221 -4.3926 -4.3926 -2.4851 -2.4851 -2.1936 -2.1936 8.4119 8.4119 10.4446 10.4446 k = 0.2138-0.3585-0.0000 ( 2647 PWs) bands (ev): -27.0585 -27.0585 -27.0135 -27.0135 -23.1514 -23.1514 -23.0581 -23.0581 -9.4897 -9.4897 -9.2121 -9.2121 -7.0089 -7.0089 -6.9856 -6.9856 -6.6887 -6.6887 -6.5748 -6.5748 -4.6573 -4.6573 -4.6313 -4.6313 -4.5157 -4.5157 -4.3893 -4.3893 -2.4960 -2.4960 -2.1862 -2.1862 8.2931 8.2931 10.3535 10.3535 k = 0.2086-0.3497-0.0000 ( 2643 PWs) bands (ev): -27.0633 -27.0633 -27.0143 -27.0143 -23.1565 -23.1565 -23.0552 -23.0552 -9.4983 -9.4983 -9.2032 -9.2032 -7.0015 -7.0015 -6.9722 -6.9722 -6.6736 -6.6736 -6.5614 -6.5614 -4.6504 -4.6504 -4.6302 -4.6302 -4.5091 -4.5091 -4.3862 -4.3862 -2.5070 -2.5070 -2.1789 -2.1789 8.1754 8.1754 10.2638 10.2638 k = 0.2033-0.3410-0.0000 ( 2645 PWs) bands (ev): -27.0681 -27.0681 -27.0153 -27.0153 -23.1615 -23.1615 -23.0524 -23.0524 -9.5068 -9.5068 -9.1942 -9.1942 -6.9932 -6.9932 -6.9579 -6.9579 -6.6589 -6.6589 -6.5482 -6.5482 -4.6434 -4.6434 -4.6287 -4.6287 -4.5023 -4.5023 -4.3831 -4.3831 -2.5180 -2.5180 -2.1717 -2.1717 8.0588 8.0588 10.1755 10.1755 k = 0.1981-0.3322-0.0000 ( 2649 PWs) bands (ev): -27.0730 -27.0730 -27.0164 -27.0164 -23.1665 -23.1665 -23.0497 -23.0497 -9.5152 -9.5152 -9.1853 -9.1853 -6.9838 -6.9838 -6.9428 -6.9428 -6.6443 -6.6443 -6.5353 -6.5353 -4.6366 -4.6366 -4.6266 -4.6266 -4.4953 -4.4953 -4.3801 -4.3801 -2.5292 -2.5292 -2.1646 -2.1646 7.9434 7.9434 10.0889 10.0889 k = 0.1929-0.3235-0.0000 ( 2645 PWs) bands (ev): -27.0779 -27.0779 -27.0175 -27.0175 -23.1715 -23.1715 -23.0470 -23.0470 -9.5234 -9.5234 -9.1765 -9.1765 -6.9736 -6.9736 -6.9269 -6.9269 -6.6299 -6.6299 -6.5226 -6.5226 -4.6305 -4.6305 -4.6233 -4.6233 -4.4880 -4.4880 -4.3772 -4.3772 -2.5405 -2.5405 -2.1576 -2.1576 7.8294 7.8294 10.0038 10.0038 k = 0.1877-0.3147-0.0000 ( 2639 PWs) bands (ev): -27.0829 -27.0829 -27.0187 -27.0187 -23.1765 -23.1765 -23.0444 -23.0444 -9.5314 -9.5314 -9.1676 -9.1676 -6.9624 -6.9624 -6.9102 -6.9102 -6.6158 -6.6158 -6.5102 -6.5102 -4.6261 -4.6261 -4.6180 -4.6180 -4.4806 -4.4806 -4.3744 -4.3744 -2.5519 -2.5519 -2.1507 -2.1507 7.7169 7.7169 9.9204 9.9204 k = 0.1825-0.3060-0.0000 ( 2643 PWs) bands (ev): -27.0879 -27.0879 -27.0200 -27.0200 -23.1815 -23.1815 -23.0419 -23.0419 -9.5393 -9.5393 -9.1589 -9.1589 -6.9503 -6.9503 -6.8929 -6.8929 -6.6020 -6.6020 -6.4981 -6.4981 -4.6230 -4.6230 -4.6113 -4.6113 -4.4729 -4.4729 -4.3717 -4.3717 -2.5633 -2.5633 -2.1440 -2.1440 7.6059 7.6059 9.8388 9.8388 k = 0.1773-0.2973-0.0000 ( 2643 PWs) bands (ev): -27.0928 -27.0928 -27.0214 -27.0214 -23.1864 -23.1864 -23.0394 -23.0394 -9.5470 -9.5470 -9.1503 -9.1503 -6.9374 -6.9374 -6.8748 -6.8748 -6.5884 -6.5884 -6.4863 -6.4863 -4.6201 -4.6201 -4.6040 -4.6040 -4.4650 -4.4650 -4.3691 -4.3691 -2.5749 -2.5749 -2.1374 -2.1374 7.4966 7.4966 9.7590 9.7590 k = 0.1721-0.2885-0.0000 ( 2643 PWs) bands (ev): -27.0978 -27.0978 -27.0228 -27.0228 -23.1912 -23.1912 -23.0370 -23.0370 -9.5545 -9.5545 -9.1417 -9.1417 -6.9237 -6.9237 -6.8562 -6.8562 -6.5751 -6.5751 -6.4748 -6.4748 -4.6172 -4.6172 -4.5966 -4.5966 -4.4569 -4.4569 -4.3666 -4.3666 -2.5864 -2.5864 -2.1309 -2.1309 7.3890 7.3890 9.6810 9.6810 k = 0.1668-0.2798-0.0000 ( 2647 PWs) bands (ev): -27.1028 -27.1028 -27.0243 -27.0243 -23.1961 -23.1961 -23.0347 -23.0347 -9.5619 -9.5619 -9.1333 -9.1333 -6.9093 -6.9093 -6.8370 -6.8370 -6.5620 -6.5620 -6.4636 -6.4636 -4.6142 -4.6142 -4.5892 -4.5892 -4.4486 -4.4486 -4.3642 -4.3642 -2.5980 -2.5980 -2.1245 -2.1245 7.2832 7.2832 9.6049 9.6049 k = 0.1616-0.2710-0.0000 ( 2645 PWs) bands (ev): -27.1078 -27.1078 -27.0258 -27.0258 -23.2008 -23.2008 -23.0324 -23.0324 -9.5691 -9.5691 -9.1249 -9.1249 -6.8941 -6.8941 -6.8173 -6.8173 -6.5493 -6.5493 -6.4527 -6.4527 -4.6111 -4.6111 -4.5818 -4.5818 -4.4401 -4.4401 -4.3618 -4.3618 -2.6096 -2.6096 -2.1183 -2.1183 7.1794 7.1794 9.5307 9.5307 k = 0.1564-0.2623-0.0000 ( 2649 PWs) bands (ev): -27.1128 -27.1128 -27.0274 -27.0274 -23.2055 -23.2055 -23.0302 -23.0302 -9.5761 -9.5761 -9.1167 -9.1167 -6.8783 -6.8783 -6.7971 -6.7971 -6.5368 -6.5368 -6.4421 -6.4421 -4.6080 -4.6080 -4.5746 -4.5746 -4.4314 -4.4314 -4.3594 -4.3594 -2.6212 -2.6212 -2.1123 -2.1123 7.0775 7.0775 9.4585 9.4585 k = 0.1512-0.2535-0.0000 ( 2657 PWs) bands (ev): -27.1177 -27.1177 -27.0291 -27.0291 -23.2101 -23.2101 -23.0281 -23.0281 -9.5829 -9.5829 -9.1087 -9.1087 -6.8619 -6.8619 -6.7766 -6.7766 -6.5246 -6.5246 -6.4319 -6.4319 -4.6047 -4.6047 -4.5675 -4.5675 -4.4225 -4.4225 -4.3572 -4.3572 -2.6328 -2.6328 -2.1063 -2.1063 6.9778 6.9778 9.3882 9.3882 k = 0.1460-0.2448-0.0000 ( 2657 PWs) bands (ev): -27.1226 -27.1226 -27.0307 -27.0307 -23.2146 -23.2146 -23.0261 -23.0261 -9.5896 -9.5896 -9.1008 -9.1008 -6.8449 -6.8449 -6.7557 -6.7557 -6.5128 -6.5128 -6.4220 -6.4220 -4.6015 -4.6015 -4.5606 -4.5606 -4.4134 -4.4134 -4.3549 -4.3549 -2.6443 -2.6443 -2.1006 -2.1006 6.8803 6.8803 9.3197 9.3197 k = 0.1408-0.2361-0.0000 ( 2661 PWs) bands (ev): -27.1274 -27.1274 -27.0324 -27.0324 -23.2191 -23.2191 -23.0241 -23.0241 -9.5961 -9.5961 -9.0931 -9.0931 -6.8275 -6.8275 -6.7347 -6.7347 -6.5012 -6.5012 -6.4124 -6.4124 -4.5982 -4.5982 -4.5539 -4.5539 -4.4043 -4.4043 -4.3526 -4.3526 -2.6558 -2.6558 -2.0950 -2.0950 6.7850 6.7850 9.2389 9.2389 k = 0.1356-0.2273-0.0000 ( 2655 PWs) bands (ev): -27.1321 -27.1321 -27.0341 -27.0341 -23.2234 -23.2234 -23.0222 -23.0222 -9.6023 -9.6023 -9.0856 -9.0856 -6.8097 -6.8097 -6.7134 -6.7134 -6.4899 -6.4899 -6.4031 -6.4031 -4.5948 -4.5948 -4.5475 -4.5475 -4.3951 -4.3951 -4.3503 -4.3503 -2.6672 -2.6672 -2.0895 -2.0895 6.6921 6.6921 9.1486 9.1486 k = 0.1304-0.2186-0.0000 ( 2655 PWs) bands (ev): -27.1368 -27.1368 -27.0358 -27.0358 -23.2277 -23.2277 -23.0204 -23.0204 -9.6084 -9.6084 -9.0782 -9.0782 -6.7916 -6.7916 -6.6920 -6.6920 -6.4789 -6.4789 -6.3942 -6.3942 -4.5916 -4.5916 -4.5413 -4.5413 -4.3860 -4.3860 -4.3478 -4.3478 -2.6785 -2.6785 -2.0842 -2.0842 6.6017 6.6017 9.0604 9.0604 k = 0.1251-0.2098-0.0000 ( 2645 PWs) bands (ev): -27.1414 -27.1414 -27.0375 -27.0375 -23.2318 -23.2318 -23.0187 -23.0187 -9.6142 -9.6142 -9.0711 -9.0711 -6.7732 -6.7732 -6.6707 -6.6707 -6.4681 -6.4681 -6.3855 -6.3855 -4.5883 -4.5883 -4.5354 -4.5354 -4.3772 -4.3772 -4.3449 -4.3449 -2.6897 -2.6897 -2.0791 -2.0791 6.5139 6.5139 8.9745 8.9745 k = 0.1199-0.2011-0.0000 ( 2653 PWs) bands (ev): -27.1459 -27.1459 -27.0393 -27.0393 -23.2359 -23.2359 -23.0170 -23.0170 -9.6199 -9.6199 -9.0642 -9.0642 -6.7547 -6.7547 -6.6495 -6.6495 -6.4577 -6.4577 -6.3772 -6.3772 -4.5851 -4.5851 -4.5298 -4.5298 -4.3691 -4.3691 -4.3415 -4.3415 -2.7007 -2.7007 -2.0741 -2.0741 6.4287 6.4287 8.8911 8.8911 k = 0.1147-0.1923-0.0000 ( 2653 PWs) bands (ev): -27.1502 -27.1502 -27.0410 -27.0410 -23.2398 -23.2398 -23.0154 -23.0154 -9.6253 -9.6253 -9.0575 -9.0575 -6.7361 -6.7361 -6.6285 -6.6285 -6.4475 -6.4475 -6.3693 -6.3693 -4.5820 -4.5820 -4.5245 -4.5245 -4.3620 -4.3620 -4.3370 -4.3370 -2.7115 -2.7115 -2.0694 -2.0694 6.3462 6.3462 8.8102 8.8102 k = 0.1095-0.1836-0.0000 ( 2651 PWs) bands (ev): -27.1545 -27.1545 -27.0427 -27.0427 -23.2436 -23.2436 -23.0139 -23.0139 -9.6306 -9.6306 -9.0511 -9.0511 -6.7175 -6.7175 -6.6077 -6.6077 -6.4376 -6.4376 -6.3616 -6.3616 -4.5790 -4.5790 -4.5195 -4.5195 -4.3564 -4.3564 -4.3311 -4.3311 -2.7222 -2.7222 -2.0647 -2.0647 6.2666 6.2666 8.7322 8.7322 k = 0.1043-0.1749-0.0000 ( 2645 PWs) bands (ev): -27.1586 -27.1586 -27.0443 -27.0443 -23.2472 -23.2472 -23.0125 -23.0125 -9.6356 -9.6356 -9.0449 -9.0449 -6.6989 -6.6989 -6.5874 -6.5874 -6.4279 -6.4279 -6.3543 -6.3543 -4.5762 -4.5762 -4.5148 -4.5148 -4.3522 -4.3522 -4.3238 -4.3238 -2.7325 -2.7325 -2.0603 -2.0603 6.1900 6.1900 8.6569 8.6569 k = 0.0991-0.1661-0.0000 ( 2645 PWs) bands (ev): -27.1626 -27.1626 -27.0460 -27.0460 -23.2508 -23.2508 -23.0111 -23.0111 -9.6404 -9.6404 -9.0389 -9.0389 -6.6806 -6.6806 -6.5676 -6.5676 -6.4184 -6.4184 -6.3473 -6.3473 -4.5734 -4.5734 -4.5104 -4.5104 -4.3492 -4.3492 -4.3156 -4.3156 -2.7427 -2.7427 -2.0561 -2.0561 6.1163 6.1163 8.5846 8.5846 k = 0.0939-0.1574-0.0000 ( 2645 PWs) bands (ev): -27.1664 -27.1664 -27.0476 -27.0476 -23.2541 -23.2541 -23.0098 -23.0098 -9.6450 -9.6450 -9.0333 -9.0333 -6.6625 -6.6625 -6.5484 -6.5484 -6.4091 -6.4091 -6.3405 -6.3405 -4.5708 -4.5708 -4.5062 -4.5062 -4.3469 -4.3469 -4.3070 -4.3070 -2.7525 -2.7525 -2.0520 -2.0520 6.0458 6.0458 8.5153 8.5153 k = 0.0886-0.1486-0.0000 ( 2641 PWs) bands (ev): -27.1701 -27.1701 -27.0491 -27.0491 -23.2574 -23.2574 -23.0086 -23.0086 -9.6493 -9.6493 -9.0278 -9.0278 -6.6447 -6.6447 -6.5300 -6.5300 -6.3999 -6.3999 -6.3341 -6.3341 -4.5684 -4.5684 -4.5024 -4.5024 -4.3449 -4.3449 -4.2981 -4.2981 -2.7620 -2.7620 -2.0482 -2.0482 5.9785 5.9785 8.4491 8.4491 k = 0.0834-0.1399-0.0000 ( 2641 PWs) bands (ev): -27.1736 -27.1736 -27.0506 -27.0506 -23.2604 -23.2604 -23.0075 -23.0075 -9.6535 -9.6535 -9.0227 -9.0227 -6.6274 -6.6274 -6.5125 -6.5125 -6.3909 -6.3909 -6.3279 -6.3279 -4.5661 -4.5661 -4.4988 -4.4988 -4.3433 -4.3433 -4.2893 -4.2893 -2.7711 -2.7711 -2.0445 -2.0445 5.9144 5.9144 8.3862 8.3862 k = 0.0782-0.1311-0.0000 ( 2637 PWs) bands (ev): -27.1770 -27.1770 -27.0521 -27.0521 -23.2633 -23.2633 -23.0064 -23.0064 -9.6574 -9.6574 -9.0178 -9.0178 -6.6107 -6.6107 -6.4959 -6.4959 -6.3820 -6.3820 -6.3220 -6.3220 -4.5640 -4.5640 -4.4955 -4.4955 -4.3419 -4.3419 -4.2807 -4.2807 -2.7799 -2.7799 -2.0411 -2.0411 5.8538 5.8538 8.3266 8.3266 k = 0.0730-0.1224-0.0000 ( 2641 PWs) bands (ev): -27.1802 -27.1802 -27.0535 -27.0535 -23.2661 -23.2661 -23.0054 -23.0054 -9.6611 -9.6611 -9.0133 -9.0133 -6.5945 -6.5945 -6.4806 -6.4806 -6.3733 -6.3733 -6.3164 -6.3164 -4.5621 -4.5621 -4.4924 -4.4924 -4.3406 -4.3406 -4.2723 -4.2723 -2.7883 -2.7883 -2.0378 -2.0378 5.7966 5.7966 8.2704 8.2704 k = 0.0678-0.1137-0.0000 ( 2641 PWs) bands (ev): -27.1832 -27.1832 -27.0548 -27.0548 -23.2687 -23.2687 -23.0045 -23.0045 -9.6645 -9.6645 -9.0090 -9.0090 -6.5791 -6.5791 -6.4664 -6.4664 -6.3646 -6.3646 -6.3109 -6.3109 -4.5604 -4.5604 -4.4896 -4.4896 -4.3395 -4.3395 -4.2643 -4.2643 -2.7962 -2.7962 -2.0348 -2.0348 5.7429 5.7429 8.2177 8.2177 k = 0.0626-0.1049-0.0000 ( 2637 PWs) bands (ev): -27.1859 -27.1859 -27.0560 -27.0560 -23.2711 -23.2711 -23.0036 -23.0036 -9.6677 -9.6677 -9.0050 -9.0050 -6.5645 -6.5645 -6.4535 -6.4535 -6.3561 -6.3561 -6.3057 -6.3057 -4.5588 -4.5588 -4.4870 -4.4870 -4.3384 -4.3384 -4.2566 -4.2566 -2.8036 -2.8036 -2.0320 -2.0320 5.6929 5.6929 8.1686 8.1686 k = 0.0574-0.0962-0.0000 ( 2637 PWs) bands (ev): -27.1885 -27.1885 -27.0572 -27.0572 -23.2733 -23.2733 -23.0029 -23.0029 -9.6706 -9.6706 -9.0013 -9.0013 -6.5507 -6.5507 -6.4419 -6.4419 -6.3478 -6.3478 -6.3006 -6.3006 -4.5574 -4.5574 -4.4847 -4.4847 -4.3375 -4.3375 -4.2494 -4.2494 -2.8106 -2.8106 -2.0294 -2.0294 5.6466 5.6466 8.1231 8.1231 k = 0.0521-0.0874-0.0000 ( 2637 PWs) bands (ev): -27.1909 -27.1909 -27.0583 -27.0583 -23.2754 -23.2754 -23.0021 -23.0021 -9.6733 -9.6733 -8.9980 -8.9980 -6.5379 -6.5379 -6.4317 -6.4317 -6.3399 -6.3399 -6.2957 -6.2957 -4.5562 -4.5562 -4.4826 -4.4826 -4.3366 -4.3366 -4.2427 -4.2427 -2.8170 -2.8170 -2.0270 -2.0270 5.6040 5.6040 8.0814 8.0814 k = 0.0469-0.0787-0.0000 ( 2637 PWs) bands (ev): -27.1931 -27.1931 -27.0592 -27.0592 -23.2773 -23.2773 -23.0015 -23.0015 -9.6758 -9.6758 -8.9949 -8.9949 -6.5262 -6.5262 -6.4227 -6.4227 -6.3325 -6.3325 -6.2909 -6.2909 -4.5552 -4.5552 -4.4808 -4.4808 -4.3358 -4.3358 -4.2365 -4.2365 -2.8229 -2.8229 -2.0248 -2.0248 5.5653 5.5653 8.0434 8.0434 k = 0.0417-0.0699-0.0000 ( 2637 PWs) bands (ev): -27.1951 -27.1951 -27.0601 -27.0601 -23.2789 -23.2789 -23.0009 -23.0009 -9.6780 -9.6780 -8.9922 -8.9922 -6.5155 -6.5155 -6.4149 -6.4149 -6.3257 -6.3257 -6.2862 -6.2862 -4.5542 -4.5542 -4.4791 -4.4791 -4.3351 -4.3351 -4.2309 -4.2309 -2.8282 -2.8282 -2.0229 -2.0229 5.5305 5.5305 8.0093 8.0093 k = 0.0365-0.0612-0.0000 ( 2629 PWs) bands (ev): -27.1968 -27.1968 -27.0609 -27.0609 -23.2804 -23.2804 -23.0004 -23.0004 -9.6799 -9.6799 -8.9897 -8.9897 -6.5059 -6.5059 -6.4082 -6.4082 -6.3197 -6.3197 -6.2817 -6.2817 -4.5534 -4.5534 -4.4777 -4.4777 -4.3345 -4.3345 -4.2258 -4.2258 -2.8330 -2.8330 -2.0211 -2.0211 5.4996 5.4996 7.9790 7.9790 k = 0.0313-0.0525-0.0000 ( 2625 PWs) bands (ev): -27.1983 -27.1983 -27.0616 -27.0616 -23.2817 -23.2817 -23.0000 -23.0000 -9.6816 -9.6816 -8.9876 -8.9876 -6.4976 -6.4976 -6.4026 -6.4026 -6.3145 -6.3145 -6.2774 -6.2774 -4.5528 -4.5528 -4.4764 -4.4764 -4.3339 -4.3339 -4.2214 -4.2214 -2.8372 -2.8372 -2.0196 -2.0196 5.4728 5.4728 7.9527 7.9527 k = 0.0261-0.0437-0.0000 ( 2621 PWs) bands (ev): -27.1996 -27.1996 -27.0622 -27.0622 -23.2828 -23.2828 -22.9996 -22.9996 -9.6830 -9.6830 -8.9858 -8.9858 -6.4904 -6.4904 -6.3980 -6.3980 -6.3101 -6.3101 -6.2734 -6.2734 -4.5523 -4.5523 -4.4754 -4.4754 -4.3334 -4.3334 -4.2176 -4.2176 -2.8407 -2.8407 -2.0183 -2.0183 5.4500 5.4500 7.9304 7.9304 k = 0.0209-0.0350-0.0000 ( 2619 PWs) bands (ev): -27.2007 -27.2007 -27.0627 -27.0627 -23.2837 -23.2837 -22.9993 -22.9993 -9.6842 -9.6842 -8.9843 -8.9843 -6.4846 -6.4846 -6.3943 -6.3943 -6.3067 -6.3067 -6.2700 -6.2700 -4.5518 -4.5518 -4.4746 -4.4746 -4.3330 -4.3330 -4.2145 -4.2145 -2.8436 -2.8436 -2.0173 -2.0173 5.4313 5.4313 7.9120 7.9120 k = 0.0156-0.0262-0.0000 ( 2619 PWs) bands (ev): -27.2015 -27.2015 -27.0631 -27.0631 -23.2844 -23.2844 -22.9991 -22.9991 -9.6851 -9.6851 -8.9832 -8.9832 -6.4800 -6.4800 -6.3915 -6.3915 -6.3040 -6.3040 -6.2671 -6.2671 -4.5515 -4.5515 -4.4739 -4.4739 -4.3327 -4.3327 -4.2121 -4.2121 -2.8459 -2.8459 -2.0165 -2.0165 5.4167 5.4167 7.8978 7.8978 k = 0.0104-0.0175-0.0000 ( 2609 PWs) bands (ev): -27.2021 -27.2021 -27.0634 -27.0634 -23.2849 -23.2849 -22.9989 -22.9989 -9.6858 -9.6858 -8.9824 -8.9824 -6.4767 -6.4767 -6.3895 -6.3895 -6.3022 -6.3022 -6.2649 -6.2649 -4.5513 -4.5513 -4.4734 -4.4734 -4.3325 -4.3325 -4.2104 -4.2104 -2.8475 -2.8475 -2.0159 -2.0159 5.4062 5.4062 7.8875 7.8875 k = 0.0052-0.0087-0.0000 ( 2611 PWs) bands (ev): -27.2025 -27.2025 -27.0635 -27.0635 -23.2852 -23.2852 -22.9988 -22.9988 -9.6862 -9.6862 -8.9819 -8.9819 -6.4747 -6.4747 -6.3883 -6.3883 -6.3011 -6.3011 -6.2636 -6.2636 -4.5512 -4.5512 -4.4732 -4.4732 -4.3324 -4.3324 -4.2093 -4.2093 -2.8485 -2.8485 -2.0156 -2.0156 5.4000 5.4000 7.8814 7.8814 k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -27.2026 -27.2026 -27.0636 -27.0636 -23.2853 -23.2853 -22.9988 -22.9988 -9.6863 -9.6863 -8.9817 -8.9817 -6.4741 -6.4741 -6.3879 -6.3879 -6.3007 -6.3007 -6.2632 -6.2632 -4.5511 -4.5511 -4.4731 -4.4731 -4.3324 -4.3324 -4.2090 -4.2090 -2.8488 -2.8488 -2.0154 -2.0154 5.3979 5.3979 7.8794 7.8794 k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -27.2026 -27.2026 -27.0636 -27.0636 -23.2853 -23.2853 -22.9988 -22.9988 -9.6863 -9.6863 -8.9817 -8.9817 -6.4741 -6.4741 -6.3879 -6.3879 -6.3007 -6.3007 -6.2632 -6.2632 -4.5511 -4.5511 -4.4731 -4.4731 -4.3324 -4.3324 -4.2090 -4.2090 -2.8488 -2.8488 -2.0154 -2.0154 5.3979 5.3979 7.8794 7.8794 k = 0.0089-0.0048-0.0000 ( 2609 PWs) bands (ev): -27.2025 -27.2025 -27.0635 -27.0635 -23.2852 -23.2852 -22.9988 -22.9988 -9.6862 -9.6862 -8.9819 -8.9819 -6.4746 -6.4746 -6.3883 -6.3883 -6.3012 -6.3012 -6.2636 -6.2636 -4.5511 -4.5511 -4.4731 -4.4731 -4.3325 -4.3325 -4.2093 -4.2093 -2.8485 -2.8485 -2.0156 -2.0156 5.4000 5.4000 7.8813 7.8813 k = 0.0179-0.0096-0.0000 ( 2606 PWs) bands (ev): -27.2021 -27.2021 -27.0633 -27.0633 -23.2850 -23.2850 -22.9988 -22.9988 -9.6858 -9.6858 -8.9823 -8.9823 -6.4762 -6.4762 -6.3897 -6.3897 -6.3025 -6.3025 -6.2650 -6.2650 -4.5512 -4.5512 -4.4733 -4.4733 -4.3329 -4.3329 -4.2101 -4.2101 -2.8476 -2.8476 -2.0159 -2.0159 5.4062 5.4062 7.8873 7.8873 k = 0.0268-0.0145-0.0000 ( 2611 PWs) bands (ev): -27.2015 -27.2015 -27.0630 -27.0630 -23.2845 -23.2845 -22.9990 -22.9990 -9.6852 -9.6852 -8.9830 -8.9830 -6.4790 -6.4790 -6.3919 -6.3919 -6.3046 -6.3046 -6.2673 -6.2673 -4.5514 -4.5514 -4.4736 -4.4736 -4.3336 -4.3336 -4.2116 -4.2116 -2.8460 -2.8460 -2.0165 -2.0165 5.4167 5.4167 7.8971 7.8971 k = 0.0357-0.0193-0.0000 ( 2613 PWs) bands (ev): -27.2007 -27.2007 -27.0626 -27.0626 -23.2839 -23.2839 -22.9991 -22.9991 -9.6843 -9.6843 -8.9841 -8.9841 -6.4829 -6.4829 -6.3949 -6.3949 -6.3077 -6.3077 -6.2703 -6.2703 -4.5516 -4.5516 -4.4740 -4.4740 -4.3346 -4.3346 -4.2136 -4.2136 -2.8438 -2.8438 -2.0173 -2.0173 5.4312 5.4312 7.9109 7.9109 k = 0.0446-0.0241-0.0000 ( 2617 PWs) bands (ev): -27.1997 -27.1997 -27.0621 -27.0621 -23.2830 -23.2830 -22.9993 -22.9993 -9.6831 -9.6831 -8.9854 -8.9854 -6.4880 -6.4880 -6.3989 -6.3989 -6.3116 -6.3116 -6.2740 -6.2740 -4.5519 -4.5519 -4.4746 -4.4746 -4.3359 -4.3359 -4.2162 -4.2162 -2.8410 -2.8410 -2.0184 -2.0184 5.4499 5.4499 7.9286 7.9286 k = 0.0536-0.0289-0.0000 ( 2623 PWs) bands (ev): -27.1985 -27.1985 -27.0614 -27.0614 -23.2820 -23.2820 -22.9996 -22.9996 -9.6817 -9.6817 -8.9870 -8.9870 -6.4943 -6.4943 -6.4039 -6.4039 -6.3163 -6.3163 -6.2783 -6.2783 -4.5524 -4.5524 -4.4753 -4.4753 -4.3375 -4.3375 -4.2192 -4.2192 -2.8376 -2.8376 -2.0197 -2.0197 5.4727 5.4727 7.9501 7.9501 k = 0.0625-0.0338-0.0000 ( 2627 PWs) bands (ev): -27.1970 -27.1970 -27.0606 -27.0606 -23.2809 -23.2809 -22.9998 -22.9998 -9.6800 -9.6800 -8.9889 -8.9889 -6.5018 -6.5018 -6.4098 -6.4098 -6.3219 -6.3219 -6.2829 -6.2829 -4.5529 -4.5529 -4.4761 -4.4761 -4.3394 -4.3394 -4.2227 -4.2227 -2.8336 -2.8336 -2.0212 -2.0212 5.4995 5.4995 7.9755 7.9755 k = 0.0714-0.0386-0.0000 ( 2629 PWs) bands (ev): -27.1953 -27.1953 -27.0597 -27.0597 -23.2795 -23.2795 -23.0002 -23.0002 -9.6781 -9.6781 -8.9910 -8.9910 -6.5107 -6.5107 -6.4169 -6.4169 -6.3281 -6.3281 -6.2878 -6.2878 -4.5535 -4.5535 -4.4771 -4.4771 -4.3418 -4.3418 -4.2265 -4.2265 -2.8290 -2.8290 -2.0230 -2.0230 5.5303 5.5303 8.0046 8.0046 k = 0.0804-0.0434-0.0000 ( 2633 PWs) bands (ev): -27.1935 -27.1935 -27.0587 -27.0587 -23.2780 -23.2780 -23.0006 -23.0006 -9.6760 -9.6760 -8.9935 -8.9935 -6.5208 -6.5208 -6.4250 -6.4250 -6.3349 -6.3349 -6.2929 -6.2929 -4.5543 -4.5543 -4.4782 -4.4782 -4.3445 -4.3445 -4.2307 -4.2307 -2.8239 -2.8239 -2.0250 -2.0250 5.5651 5.5651 8.0375 8.0375 k = 0.0893-0.0482-0.0000 ( 2633 PWs) bands (ev): -27.1914 -27.1914 -27.0576 -27.0576 -23.2763 -23.2763 -23.0010 -23.0010 -9.6736 -9.6736 -8.9962 -8.9962 -6.5323 -6.5323 -6.4345 -6.4345 -6.3421 -6.3421 -6.2980 -6.2980 -4.5553 -4.5553 -4.4795 -4.4795 -4.3476 -4.3476 -4.2352 -4.2352 -2.8182 -2.8182 -2.0272 -2.0272 5.6037 5.6037 8.0740 8.0740 k = 0.0982-0.0531-0.0000 ( 2633 PWs) bands (ev): -27.1891 -27.1891 -27.0564 -27.0564 -23.2744 -23.2744 -23.0015 -23.0015 -9.6709 -9.6709 -8.9993 -8.9993 -6.5451 -6.5451 -6.4452 -6.4452 -6.3496 -6.3496 -6.3032 -6.3032 -4.5564 -4.5564 -4.4809 -4.4809 -4.3513 -4.3513 -4.2399 -4.2399 -2.8119 -2.8119 -2.0297 -2.0297 5.6462 5.6462 8.1140 8.1140 k = 0.1071-0.0579-0.0000 ( 2635 PWs) bands (ev): -27.1866 -27.1866 -27.0551 -27.0551 -23.2724 -23.2724 -23.0020 -23.0020 -9.6680 -9.6680 -9.0026 -9.0026 -6.5591 -6.5591 -6.4574 -6.4574 -6.3570 -6.3570 -6.3084 -6.3084 -4.5577 -4.5577 -4.4824 -4.4824 -4.3554 -4.3554 -4.2446 -4.2446 -2.8052 -2.8052 -2.0323 -2.0323 5.6924 5.6924 8.1576 8.1576 k = 0.1161-0.0627-0.0000 ( 2637 PWs) bands (ev): -27.1839 -27.1839 -27.0537 -27.0537 -23.2702 -23.2702 -23.0026 -23.0026 -9.6649 -9.6649 -9.0061 -9.0061 -6.5743 -6.5743 -6.4711 -6.4711 -6.3644 -6.3644 -6.3137 -6.3137 -4.5593 -4.5593 -4.4841 -4.4841 -4.3601 -4.3601 -4.2495 -4.2495 -2.7979 -2.7979 -2.0352 -2.0352 5.7423 5.7423 8.2046 8.2046 k = 0.1250-0.0675-0.0000 ( 2643 PWs) bands (ev): -27.1810 -27.1810 -27.0522 -27.0522 -23.2679 -23.2679 -23.0032 -23.0032 -9.6616 -9.6616 -9.0100 -9.0100 -6.5907 -6.5907 -6.4862 -6.4862 -6.3716 -6.3716 -6.3190 -6.3190 -4.5611 -4.5611 -4.4860 -4.4860 -4.3653 -4.3653 -4.2542 -4.2542 -2.7903 -2.7903 -2.0383 -2.0383 5.7957 5.7957 8.2549 8.2549 k = 0.1339-0.0724-0.0000 ( 2645 PWs) bands (ev): -27.1780 -27.1780 -27.0507 -27.0507 -23.2654 -23.2654 -23.0039 -23.0039 -9.6580 -9.6580 -9.0141 -9.0141 -6.6082 -6.6082 -6.5027 -6.5027 -6.3785 -6.3785 -6.3243 -6.3243 -4.5632 -4.5632 -4.4880 -4.4880 -4.3711 -4.3711 -4.2589 -4.2589 -2.7821 -2.7821 -2.0417 -2.0417 5.8527 5.8527 8.3083 8.3083 k = 0.1429-0.0772-0.0000 ( 2643 PWs) bands (ev): -27.1747 -27.1747 -27.0491 -27.0491 -23.2627 -23.2627 -23.0046 -23.0046 -9.6541 -9.6541 -9.0185 -9.0185 -6.6266 -6.6266 -6.5204 -6.5204 -6.3852 -6.3852 -6.3296 -6.3296 -4.5656 -4.5656 -4.4901 -4.4901 -4.3775 -4.3775 -4.2634 -4.2634 -2.7735 -2.7735 -2.0452 -2.0452 5.9131 5.9131 8.3648 8.3648 k = 0.1518-0.0820-0.0000 ( 2643 PWs) bands (ev): -27.1714 -27.1714 -27.0474 -27.0474 -23.2600 -23.2600 -23.0054 -23.0054 -9.6501 -9.6501 -9.0232 -9.0232 -6.6459 -6.6459 -6.5394 -6.5394 -6.3916 -6.3916 -6.3350 -6.3350 -4.5683 -4.5683 -4.4924 -4.4924 -4.3845 -4.3845 -4.2677 -4.2677 -2.7646 -2.7646 -2.0490 -2.0490 5.9768 5.9768 8.4242 8.4242 k = 0.1607-0.0868-0.0000 ( 2639 PWs) bands (ev): -27.1678 -27.1678 -27.0456 -27.0456 -23.2570 -23.2570 -23.0063 -23.0063 -9.6458 -9.6458 -9.0281 -9.0281 -6.6660 -6.6660 -6.5594 -6.5594 -6.3978 -6.3978 -6.3404 -6.3404 -4.5713 -4.5713 -4.4949 -4.4949 -4.3920 -4.3920 -4.2718 -4.2718 -2.7553 -2.7553 -2.0529 -2.0529 6.0438 6.0438 8.4864 8.4864 k = 0.1696-0.0916-0.0000 ( 2637 PWs) bands (ev): -27.1642 -27.1642 -27.0438 -27.0438 -23.2540 -23.2540 -23.0072 -23.0072 -9.6413 -9.6413 -9.0333 -9.0333 -6.6868 -6.6868 -6.5803 -6.5803 -6.4038 -6.4038 -6.3458 -6.3458 -4.5747 -4.5747 -4.4975 -4.4975 -4.3999 -4.3999 -4.2756 -4.2756 -2.7456 -2.7456 -2.0571 -2.0571 6.1139 6.1139 8.5511 8.5511 k = 0.1786-0.0965-0.0000 ( 2643 PWs) bands (ev): -27.1603 -27.1603 -27.0420 -27.0420 -23.2508 -23.2508 -23.0082 -23.0082 -9.6367 -9.6367 -9.0387 -9.0387 -6.7081 -6.7081 -6.6021 -6.6021 -6.4097 -6.4097 -6.3512 -6.3512 -4.5784 -4.5784 -4.5004 -4.5004 -4.4082 -4.4082 -4.2792 -4.2792 -2.7356 -2.7356 -2.0615 -2.0615 6.1870 6.1870 8.6180 8.6180 k = 0.1875-0.1013-0.0000 ( 2641 PWs) bands (ev): -27.1564 -27.1564 -27.0401 -27.0401 -23.2475 -23.2475 -23.0092 -23.0092 -9.6318 -9.6318 -9.0444 -9.0444 -6.7300 -6.7300 -6.6245 -6.6245 -6.4154 -6.4154 -6.3566 -6.3566 -4.5824 -4.5824 -4.5035 -4.5035 -4.4167 -4.4167 -4.2825 -4.2825 -2.7253 -2.7253 -2.0660 -2.0660 6.2631 6.2631 8.6871 8.6871 k = 0.1964-0.1061-0.0000 ( 2644 PWs) bands (ev): -27.1524 -27.1524 -27.0382 -27.0382 -23.2441 -23.2441 -23.0104 -23.0104 -9.6267 -9.6267 -9.0503 -9.0503 -6.7523 -6.7523 -6.6475 -6.6475 -6.4211 -6.4211 -6.3620 -6.3620 -4.5869 -4.5869 -4.5069 -4.5069 -4.4254 -4.4254 -4.2857 -4.2857 -2.7148 -2.7148 -2.0708 -2.0708 6.3420 6.3420 8.7579 8.7579 k = 0.2054-0.1109-0.0000 ( 2644 PWs) bands (ev): -27.1482 -27.1482 -27.0363 -27.0363 -23.2405 -23.2405 -23.0115 -23.0115 -9.6214 -9.6214 -9.0565 -9.0565 -6.7748 -6.7748 -6.6710 -6.6710 -6.4266 -6.4266 -6.3674 -6.3674 -4.5916 -4.5916 -4.5107 -4.5107 -4.4340 -4.4340 -4.2886 -4.2886 -2.7040 -2.7040 -2.0758 -2.0758 6.4237 6.4237 8.8302 8.8302 k = 0.2143-0.1158-0.0000 ( 2648 PWs) bands (ev): -27.1440 -27.1440 -27.0343 -27.0343 -23.2369 -23.2369 -23.0128 -23.0128 -9.6159 -9.6159 -9.0629 -9.0629 -6.7976 -6.7976 -6.6948 -6.6948 -6.4321 -6.4321 -6.3728 -6.3728 -4.5967 -4.5967 -4.5149 -4.5149 -4.4424 -4.4424 -4.2914 -4.2914 -2.6930 -2.6930 -2.0809 -2.0809 6.5080 6.5080 8.9035 8.9035 k = 0.2232-0.1206-0.0000 ( 2644 PWs) bands (ev): -27.1396 -27.1396 -27.0324 -27.0324 -23.2332 -23.2332 -23.0141 -23.0141 -9.6102 -9.6102 -9.0695 -9.0695 -6.8204 -6.8204 -6.7190 -6.7190 -6.4375 -6.4375 -6.3782 -6.3782 -4.6021 -4.6021 -4.5197 -4.5197 -4.4504 -4.4504 -4.2940 -4.2940 -2.6819 -2.6819 -2.0863 -2.0863 6.5948 6.5948 8.9777 8.9777 k = 0.2321-0.1254-0.0000 ( 2647 PWs) bands (ev): -27.1352 -27.1352 -27.0305 -27.0305 -23.2293 -23.2293 -23.0155 -23.0155 -9.6043 -9.6043 -9.0764 -9.0764 -6.8433 -6.8433 -6.7433 -6.7433 -6.4429 -6.4429 -6.3835 -6.3835 -4.6079 -4.6079 -4.5252 -4.5252 -4.4579 -4.4579 -4.2965 -4.2965 -2.6705 -2.6705 -2.0918 -2.0918 6.6841 6.6841 9.0524 9.0524 k = 0.2411-0.1302-0.0000 ( 2649 PWs) bands (ev): -27.1308 -27.1308 -27.0285 -27.0285 -23.2254 -23.2254 -23.0169 -23.0169 -9.5983 -9.5983 -9.0835 -9.0835 -6.8662 -6.8662 -6.7677 -6.7677 -6.4482 -6.4482 -6.3887 -6.3887 -4.6139 -4.6139 -4.5313 -4.5313 -4.4647 -4.4647 -4.2989 -4.2989 -2.6591 -2.6591 -2.0975 -2.0975 6.7757 6.7757 9.1275 9.1275 k = 0.2500-0.1351-0.0000 ( 2647 PWs) bands (ev): -27.1263 -27.1263 -27.0267 -27.0267 -23.2214 -23.2214 -23.0185 -23.0185 -9.5920 -9.5920 -9.0907 -9.0907 -6.8889 -6.8889 -6.7921 -6.7921 -6.4535 -6.4535 -6.3938 -6.3938 -4.6202 -4.6202 -4.5382 -4.5382 -4.4708 -4.4708 -4.3012 -4.3012 -2.6475 -2.6475 -2.1034 -2.1034 6.8695 6.8695 9.2028 9.2028 k = 0.2589-0.1399-0.0000 ( 2650 PWs) bands (ev): -27.1217 -27.1217 -27.0248 -27.0248 -23.2174 -23.2174 -23.0201 -23.0201 -9.5856 -9.5856 -9.0982 -9.0982 -6.9114 -6.9114 -6.8164 -6.8164 -6.4587 -6.4587 -6.3989 -6.3989 -4.6268 -4.6268 -4.5458 -4.5458 -4.4761 -4.4761 -4.3034 -4.3034 -2.6358 -2.6358 -2.1095 -2.1095 6.9655 6.9655 9.2785 9.2785 k = 0.2679-0.1447-0.0000 ( 2652 PWs) bands (ev): -27.1171 -27.1171 -27.0230 -27.0230 -23.2132 -23.2132 -23.0218 -23.0218 -9.5790 -9.5790 -9.1059 -9.1059 -6.9336 -6.9336 -6.8406 -6.8406 -6.4639 -6.4639 -6.4039 -6.4039 -4.6337 -4.6337 -4.5538 -4.5538 -4.4807 -4.4807 -4.3055 -4.3055 -2.6240 -2.6240 -2.1157 -2.1157 7.0635 7.0635 9.3546 9.3546 k = 0.2768-0.1495-0.0000 ( 2650 PWs) bands (ev): -27.1125 -27.1125 -27.0212 -27.0212 -23.2090 -23.2090 -23.0235 -23.0235 -9.5723 -9.5723 -9.1138 -9.1138 -6.9554 -6.9554 -6.8645 -6.8645 -6.4690 -6.4690 -6.4087 -6.4087 -4.6407 -4.6407 -4.5623 -4.5623 -4.4846 -4.4846 -4.3075 -4.3075 -2.6121 -2.6121 -2.1221 -2.1221 7.1635 7.1635 9.4314 9.4314 k = 0.2857-0.1544-0.0000 ( 2650 PWs) bands (ev): -27.1079 -27.1079 -27.0195 -27.0195 -23.2048 -23.2048 -23.0254 -23.0254 -9.5654 -9.5654 -9.1219 -9.1219 -6.9768 -6.9768 -6.8882 -6.8882 -6.4740 -6.4740 -6.4135 -6.4135 -4.6480 -4.6480 -4.5710 -4.5710 -4.4881 -4.4881 -4.3095 -4.3095 -2.6003 -2.6003 -2.1287 -2.1287 7.2653 7.2653 9.5090 9.5090 k = 0.2946-0.1592-0.0000 ( 2648 PWs) bands (ev): -27.1033 -27.1033 -27.0179 -27.0179 -23.2005 -23.2005 -23.0273 -23.0273 -9.5583 -9.5583 -9.1301 -9.1301 -6.9977 -6.9977 -6.9115 -6.9115 -6.4789 -6.4789 -6.4181 -6.4181 -4.6554 -4.6554 -4.5798 -4.5798 -4.4911 -4.4911 -4.3114 -4.3114 -2.5884 -2.5884 -2.1354 -2.1354 7.3688 7.3688 9.5875 9.5875 k = 0.3036-0.1640-0.0000 ( 2644 PWs) bands (ev): -27.0988 -27.0988 -27.0163 -27.0163 -23.1962 -23.1962 -23.0293 -23.0293 -9.5511 -9.5511 -9.1385 -9.1385 -7.0180 -7.0180 -6.9344 -6.9344 -6.4838 -6.4838 -6.4225 -6.4225 -4.6630 -4.6630 -4.5885 -4.5885 -4.4938 -4.4938 -4.3133 -4.3133 -2.5764 -2.5764 -2.1423 -2.1423 7.4740 7.4740 9.6671 9.6671 k = 0.3125-0.1688-0.0000 ( 2647 PWs) bands (ev): -27.0942 -27.0942 -27.0148 -27.0148 -23.1918 -23.1918 -23.0313 -23.0313 -9.5437 -9.5437 -9.1471 -9.1471 -7.0378 -7.0378 -6.9568 -6.9568 -6.4885 -6.4885 -6.4268 -6.4268 -4.6707 -4.6707 -4.5971 -4.5971 -4.4962 -4.4962 -4.3151 -4.3151 -2.5645 -2.5645 -2.1494 -2.1494 7.5808 7.5808 9.7479 9.7479 k = 0.3214-0.1736-0.0000 ( 2650 PWs) bands (ev): -27.0897 -27.0897 -27.0134 -27.0134 -23.1874 -23.1874 -23.0335 -23.0335 -9.5362 -9.5362 -9.1558 -9.1558 -7.0568 -7.0568 -6.9786 -6.9786 -6.4932 -6.4932 -6.4310 -6.4310 -4.6785 -4.6785 -4.6054 -4.6054 -4.4983 -4.4983 -4.3169 -4.3169 -2.5527 -2.5527 -2.1566 -2.1566 7.6890 7.6890 9.8300 9.8300 k = 0.3304-0.1785-0.0000 ( 2659 PWs) bands (ev): -27.0853 -27.0853 -27.0121 -27.0121 -23.1830 -23.1830 -23.0357 -23.0357 -9.5285 -9.5285 -9.1646 -9.1646 -7.0751 -7.0751 -6.9999 -6.9999 -6.4977 -6.4977 -6.4350 -6.4350 -4.6863 -4.6863 -4.6135 -4.6135 -4.5003 -4.5003 -4.3185 -4.3185 -2.5408 -2.5408 -2.1639 -2.1639 7.7986 7.7986 9.9133 9.9133 k = 0.3393-0.1833-0.0000 ( 2659 PWs) bands (ev): -27.0809 -27.0809 -27.0109 -27.0109 -23.1786 -23.1786 -23.0381 -23.0381 -9.5207 -9.5207 -9.1736 -9.1736 -7.0926 -7.0926 -7.0205 -7.0205 -6.5020 -6.5020 -6.4388 -6.4388 -4.6942 -4.6942 -4.6213 -4.6213 -4.5020 -4.5020 -4.3202 -4.3202 -2.5290 -2.5290 -2.1714 -2.1714 7.9095 7.9095 9.9980 9.9980 k = 0.3482-0.1881-0.0000 ( 2661 PWs) bands (ev): -27.0766 -27.0766 -27.0099 -27.0099 -23.1742 -23.1742 -23.0405 -23.0405 -9.5128 -9.5128 -9.1827 -9.1827 -7.1093 -7.1093 -7.0404 -7.0404 -6.5063 -6.5063 -6.4424 -6.4424 -4.7019 -4.7019 -4.6287 -4.6287 -4.5037 -4.5037 -4.3218 -4.3218 -2.5172 -2.5172 -2.1791 -2.1791 8.0217 8.0217 10.0839 10.0839 k = 0.3571-0.1929-0.0000 ( 2659 PWs) bands (ev): -27.0724 -27.0724 -27.0089 -27.0089 -23.1698 -23.1698 -23.0429 -23.0429 -9.5047 -9.5047 -9.1919 -9.1919 -7.1252 -7.1252 -7.0596 -7.0596 -6.5103 -6.5103 -6.4458 -6.4458 -4.7095 -4.7095 -4.6356 -4.6356 -4.5052 -4.5052 -4.3233 -4.3233 -2.5055 -2.5055 -2.1869 -2.1869 8.1349 8.1349 10.1711 10.1711 k = 0.3661-0.1978-0.0000 ( 2659 PWs) bands (ev): -27.0682 -27.0682 -27.0081 -27.0081 -23.1654 -23.1654 -23.0454 -23.0454 -9.4965 -9.4965 -9.2012 -9.2012 -7.1401 -7.1401 -7.0780 -7.0780 -6.5142 -6.5142 -6.4491 -6.4491 -4.7170 -4.7170 -4.6422 -4.6422 -4.5065 -4.5065 -4.3247 -4.3247 -2.4939 -2.4939 -2.1948 -2.1948 8.2493 8.2493 10.2593 10.2593 k = 0.3750-0.2026-0.0000 ( 2661 PWs) bands (ev): -27.0642 -27.0642 -27.0074 -27.0074 -23.1610 -23.1610 -23.0481 -23.0481 -9.4882 -9.4882 -9.2106 -9.2106 -7.1540 -7.1540 -7.0955 -7.0955 -6.5179 -6.5179 -6.4521 -6.4521 -4.7242 -4.7242 -4.6484 -4.6484 -4.5078 -4.5078 -4.3261 -4.3261 -2.4824 -2.4824 -2.2029 -2.2029 8.3646 8.3646 10.3485 10.3485 k = 0.3839-0.2074-0.0000 ( 2665 PWs) bands (ev): -27.0603 -27.0603 -27.0068 -27.0068 -23.1567 -23.1567 -23.0507 -23.0507 -9.4798 -9.4798 -9.2201 -9.2201 -7.1670 -7.1670 -7.1122 -7.1122 -6.5214 -6.5214 -6.4550 -6.4550 -4.7312 -4.7312 -4.6542 -4.6542 -4.5090 -4.5090 -4.3274 -4.3274 -2.4709 -2.4709 -2.2111 -2.2111 8.4808 8.4808 10.4384 10.4384 k = 0.3929-0.2122-0.0000 ( 2665 PWs) bands (ev): -27.0566 -27.0566 -27.0064 -27.0064 -23.1524 -23.1524 -23.0535 -23.0535 -9.4714 -9.4714 -9.2296 -9.2296 -7.1790 -7.1790 -7.1279 -7.1279 -6.5247 -6.5247 -6.4576 -6.4576 -4.7378 -4.7378 -4.6595 -4.6595 -4.5101 -4.5101 -4.3286 -4.3286 -2.4596 -2.4596 -2.2194 -2.2194 8.5978 8.5978 10.5283 10.5283 k = 0.4018-0.2171-0.0000 ( 2662 PWs) bands (ev): -27.0530 -27.0530 -27.0061 -27.0061 -23.1481 -23.1481 -23.0563 -23.0563 -9.4628 -9.4628 -9.2391 -9.2391 -7.1899 -7.1899 -7.1427 -7.1427 -6.5277 -6.5277 -6.4601 -6.4601 -4.7441 -4.7441 -4.6644 -4.6644 -4.5111 -4.5111 -4.3298 -4.3298 -2.4483 -2.4483 -2.2279 -2.2279 8.7156 8.7156 10.6171 10.6171 k = 0.4107-0.2219-0.0000 ( 2664 PWs) bands (ev): -27.0495 -27.0495 -27.0059 -27.0059 -23.1439 -23.1439 -23.0591 -23.0591 -9.4542 -9.4542 -9.2486 -9.2486 -7.1998 -7.1998 -7.1565 -7.1565 -6.5306 -6.5306 -6.4623 -6.4623 -4.7499 -4.7499 -4.6689 -4.6689 -4.5120 -4.5120 -4.3308 -4.3308 -2.4372 -2.4372 -2.2365 -2.2365 8.8340 8.8340 10.7026 10.7026 k = 0.4196-0.2267-0.0000 ( 2664 PWs) bands (ev): -27.0463 -27.0463 -27.0058 -27.0058 -23.1398 -23.1398 -23.0620 -23.0620 -9.4455 -9.4455 -9.2580 -9.2580 -7.2085 -7.2085 -7.1694 -7.1694 -6.5332 -6.5332 -6.4643 -6.4643 -4.7553 -4.7553 -4.6730 -4.6730 -4.5128 -4.5128 -4.3318 -4.3318 -2.4261 -2.4261 -2.2452 -2.2452 8.9530 8.9530 10.7790 10.7790 k = 0.4286-0.2315-0.0000 ( 2666 PWs) bands (ev): -27.0432 -27.0432 -27.0059 -27.0059 -23.1359 -23.1359 -23.0648 -23.0648 -9.4369 -9.4369 -9.2675 -9.2675 -7.2162 -7.2162 -7.1811 -7.1811 -6.5355 -6.5355 -6.4662 -6.4662 -4.7602 -4.7602 -4.6766 -4.6766 -4.5135 -4.5135 -4.3327 -4.3327 -2.4152 -2.4152 -2.2540 -2.2540 9.0724 9.0724 10.8310 10.8310 k = 0.4375-0.2364-0.0000 ( 2666 PWs) bands (ev): -27.0403 -27.0403 -27.0061 -27.0061 -23.1320 -23.1320 -23.0677 -23.0677 -9.4283 -9.4283 -9.2767 -9.2767 -7.2227 -7.2227 -7.1919 -7.1919 -6.5376 -6.5376 -6.4678 -6.4678 -4.7646 -4.7646 -4.6798 -4.6798 -4.5142 -4.5142 -4.3334 -4.3334 -2.4045 -2.4045 -2.2629 -2.2629 9.1921 9.1921 10.8300 10.8300 k = 0.4464-0.2412-0.0000 ( 2663 PWs) bands (ev): -27.0377 -27.0377 -27.0064 -27.0064 -23.1283 -23.1283 -23.0705 -23.0705 -9.4198 -9.4198 -9.2858 -9.2858 -7.2281 -7.2281 -7.2015 -7.2015 -6.5394 -6.5394 -6.4692 -6.4692 -4.7685 -4.7685 -4.6826 -4.6826 -4.5147 -4.5147 -4.3341 -4.3341 -2.3938 -2.3938 -2.2720 -2.2720 9.3120 9.3120 10.7683 10.7683 k = 0.4554-0.2460-0.0000 ( 2662 PWs) bands (ev): -27.0354 -27.0354 -27.0068 -27.0068 -23.1249 -23.1249 -23.0732 -23.0732 -9.4116 -9.4116 -9.2946 -9.2946 -7.2323 -7.2323 -7.2100 -7.2100 -6.5410 -6.5410 -6.4704 -6.4704 -4.7718 -4.7718 -4.6850 -4.6850 -4.5152 -4.5152 -4.3347 -4.3347 -2.3834 -2.3834 -2.2811 -2.2811 9.4316 9.4316 10.6731 10.6731 k = 0.4643-0.2508-0.0000 ( 2664 PWs) bands (ev): -27.0334 -27.0334 -27.0072 -27.0072 -23.1217 -23.1217 -23.0758 -23.0758 -9.4037 -9.4037 -9.3029 -9.3029 -7.2354 -7.2354 -7.2175 -7.2175 -6.5422 -6.5422 -6.4713 -6.4713 -4.7745 -4.7745 -4.6869 -4.6869 -4.5156 -4.5156 -4.3352 -4.3352 -2.3731 -2.3731 -2.2902 -2.2902 9.5506 9.5506 10.5649 10.5649 k = 0.4732-0.2556-0.0000 ( 2662 PWs) bands (ev): -27.0317 -27.0317 -27.0076 -27.0076 -23.1190 -23.1190 -23.0780 -23.0780 -9.3965 -9.3965 -9.3104 -9.3104 -7.2373 -7.2373 -7.2237 -7.2237 -6.5432 -6.5432 -6.4721 -6.4721 -4.7767 -4.7767 -4.6885 -4.6885 -4.5159 -4.5159 -4.3356 -4.3356 -2.3632 -2.3632 -2.2993 -2.2993 9.6676 9.6676 10.4528 10.4528 k = 0.4821-0.2605-0.0000 ( 2664 PWs) bands (ev): -27.0304 -27.0304 -27.0079 -27.0079 -23.1168 -23.1168 -23.0799 -23.0799 -9.3905 -9.3905 -9.3166 -9.3166 -7.2381 -7.2381 -7.2288 -7.2288 -6.5440 -6.5440 -6.4726 -6.4726 -4.7782 -4.7782 -4.6895 -4.6895 -4.5161 -4.5161 -4.3358 -4.3358 -2.3538 -2.3538 -2.3081 -2.3081 9.7798 9.7798 10.3428 10.3428 k = 0.4911-0.2653-0.0000 ( 2662 PWs) bands (ev): -27.0296 -27.0296 -27.0081 -27.0081 -23.1154 -23.1154 -23.0811 -23.0811 -9.3863 -9.3863 -9.3210 -9.3210 -7.2377 -7.2377 -7.2326 -7.2326 -6.5444 -6.5444 -6.4730 -6.4730 -4.7792 -4.7792 -4.6902 -4.6902 -4.5162 -4.5162 -4.3360 -4.3360 -2.3457 -2.3457 -2.3158 -2.3158 9.8777 9.8777 10.2459 10.2459 k = 0.5000-0.2701-0.0000 ( 2656 PWs) bands (ev): -27.0294 -27.0294 -27.0082 -27.0082 -23.1149 -23.1149 -23.0815 -23.0815 -9.3848 -9.3848 -9.3225 -9.3225 -7.2370 -7.2370 -7.2345 -7.2345 -6.5445 -6.5445 -6.4731 -6.4731 -4.7795 -4.7795 -4.6904 -4.6904 -4.5162 -4.5162 -4.3360 -4.3360 -2.3418 -2.3418 -2.3196 -2.3196 9.9251 9.9251 10.1988 10.1988 k = 0.5000-0.2701 0.2199 ( 2640 PWs) bands (ev): -27.0305 -27.0305 -27.0069 -27.0069 -23.1203 -23.1203 -23.0762 -23.0762 -9.4083 -9.4083 -9.2567 -9.2567 -7.4030 -7.4030 -7.1762 -7.1762 -6.6096 -6.6096 -6.3958 -6.3958 -4.8652 -4.8652 -4.6011 -4.6011 -4.4724 -4.4724 -4.2607 -4.2607 -2.4595 -2.4595 -2.2702 -2.2702 10.1933 10.1933 10.5338 10.5338 k = 0.4917-0.2656 0.2162 ( 2638 PWs) bands (ev): -27.0306 -27.0306 -27.0070 -27.0070 -23.1202 -23.1202 -23.0763 -23.0763 -9.4081 -9.4081 -9.2570 -9.2570 -7.4024 -7.4024 -7.1757 -7.1757 -6.6094 -6.6094 -6.3957 -6.3957 -4.8649 -4.8649 -4.6010 -4.6010 -4.4723 -4.4723 -4.2608 -4.2608 -2.4592 -2.4592 -2.2706 -2.2706 10.1691 10.1691 10.5007 10.5007 k = 0.4833-0.2611 0.2126 ( 2633 PWs) bands (ev): -27.0307 -27.0307 -27.0073 -27.0073 -23.1201 -23.1201 -23.0767 -23.0767 -9.4074 -9.4074 -9.2579 -9.2579 -7.4006 -7.4006 -7.1739 -7.1739 -6.6088 -6.6088 -6.3957 -6.3957 -4.8640 -4.8640 -4.6007 -4.6007 -4.4721 -4.4721 -4.2611 -4.2611 -2.4583 -2.4583 -2.2715 -2.2715 10.1051 10.1051 10.4301 10.4301 k = 0.4750-0.2566 0.2089 ( 2632 PWs) bands (ev): -27.0310 -27.0310 -27.0079 -27.0079 -23.1198 -23.1198 -23.0772 -23.0772 -9.4062 -9.4062 -9.2594 -9.2594 -7.3976 -7.3976 -7.1710 -7.1710 -6.6077 -6.6077 -6.3955 -6.3955 -4.8625 -4.8625 -4.6002 -4.6002 -4.4716 -4.4716 -4.2617 -4.2617 -2.4567 -2.4567 -2.2731 -2.2731 10.0166 10.0166 10.3479 10.3479 k = 0.4667-0.2521 0.2052 ( 2634 PWs) bands (ev): -27.0314 -27.0314 -27.0086 -27.0086 -23.1195 -23.1195 -23.0779 -23.0779 -9.4046 -9.4046 -9.2615 -9.2615 -7.3935 -7.3935 -7.1670 -7.1670 -6.6063 -6.6063 -6.3953 -6.3953 -4.8605 -4.8605 -4.5995 -4.5995 -4.4710 -4.4710 -4.2625 -4.2625 -2.4545 -2.4545 -2.2753 -2.2753 9.9147 9.9147 10.2620 10.2620 k = 0.4583-0.2476 0.2016 ( 2637 PWs) bands (ev): -27.0319 -27.0319 -27.0096 -27.0096 -23.1191 -23.1191 -23.0788 -23.0788 -9.4025 -9.4025 -9.2642 -9.2642 -7.3881 -7.3881 -7.1619 -7.1619 -6.6045 -6.6045 -6.3951 -6.3951 -4.8578 -4.8578 -4.5985 -4.5985 -4.4702 -4.4702 -4.2634 -4.2634 -2.4518 -2.4518 -2.2782 -2.2782 9.8055 9.8055 10.1749 10.1749 k = 0.4500-0.2431 0.1979 ( 2641 PWs) bands (ev): -27.0325 -27.0325 -27.0108 -27.0108 -23.1186 -23.1186 -23.0799 -23.0799 -9.4000 -9.4000 -9.2675 -9.2675 -7.3816 -7.3816 -7.1556 -7.1556 -6.6023 -6.6023 -6.3948 -6.3948 -4.8547 -4.8547 -4.5974 -4.5974 -4.4692 -4.4692 -4.2646 -4.2646 -2.4484 -2.4484 -2.2816 -2.2816 9.6922 9.6922 10.0878 10.0878 k = 0.4417-0.2386 0.1943 ( 2647 PWs) bands (ev): -27.0333 -27.0333 -27.0121 -27.0121 -23.1181 -23.1181 -23.0811 -23.0811 -9.3972 -9.3972 -9.2712 -9.2712 -7.3740 -7.3740 -7.1483 -7.1483 -6.5996 -6.5996 -6.3945 -6.3945 -4.8509 -4.8509 -4.5961 -4.5961 -4.4681 -4.4681 -4.2660 -4.2660 -2.4444 -2.4444 -2.2857 -2.2857 9.5765 9.5765 10.0012 10.0012 k = 0.4333-0.2341 0.1906 ( 2650 PWs) bands (ev): -27.0342 -27.0342 -27.0136 -27.0136 -23.1177 -23.1177 -23.0825 -23.0825 -9.3939 -9.3939 -9.2754 -9.2754 -7.3652 -7.3652 -7.1398 -7.1398 -6.5966 -6.5966 -6.3941 -6.3941 -4.8466 -4.8466 -4.5946 -4.5946 -4.4668 -4.4668 -4.2675 -4.2675 -2.4399 -2.4399 -2.2904 -2.2904 9.4594 9.4594 9.9152 9.9152 k = 0.4250-0.2296 0.1869 ( 2650 PWs) bands (ev): -27.0352 -27.0352 -27.0152 -27.0152 -23.1173 -23.1173 -23.0838 -23.0838 -9.3902 -9.3902 -9.2801 -9.2801 -7.3554 -7.3554 -7.1303 -7.1303 -6.5933 -6.5933 -6.3937 -6.3937 -4.8418 -4.8418 -4.5929 -4.5929 -4.4654 -4.4654 -4.2692 -4.2692 -2.4348 -2.4348 -2.2958 -2.2958 9.3417 9.3417 9.8303 9.8303 k = 0.4167-0.2251 0.1833 ( 2653 PWs) bands (ev): -27.0365 -27.0365 -27.0168 -27.0168 -23.1170 -23.1170 -23.0851 -23.0851 -9.3864 -9.3864 -9.2850 -9.2850 -7.3444 -7.3444 -7.1199 -7.1199 -6.5895 -6.5895 -6.3932 -6.3932 -4.8365 -4.8365 -4.5910 -4.5910 -4.4638 -4.4638 -4.2710 -4.2710 -2.4292 -2.4292 -2.3017 -2.3017 9.2236 9.2236 9.7464 9.7464 k = 0.4083-0.2206 0.1796 ( 2655 PWs) bands (ev): -27.0380 -27.0380 -27.0186 -27.0186 -23.1170 -23.1170 -23.0863 -23.0863 -9.3823 -9.3823 -9.2903 -9.2903 -7.3323 -7.3323 -7.1084 -7.1084 -6.5854 -6.5854 -6.3927 -6.3927 -4.8306 -4.8306 -4.5889 -4.5889 -4.4620 -4.4620 -4.2730 -4.2730 -2.4231 -2.4231 -2.3082 -2.3082 9.1055 9.1055 9.6636 9.6636 k = 0.4000-0.2161 0.1759 ( 2657 PWs) bands (ev): -27.0398 -27.0398 -27.0203 -27.0203 -23.1173 -23.1173 -23.0872 -23.0872 -9.3782 -9.3782 -9.2956 -9.2956 -7.3192 -7.3192 -7.0959 -7.0959 -6.5810 -6.5810 -6.3921 -6.3921 -4.8243 -4.8243 -4.5866 -4.5866 -4.4601 -4.4601 -4.2751 -4.2751 -2.4165 -2.4165 -2.3152 -2.3152 8.9876 8.9876 9.5822 9.5822 k = 0.3917-0.2116 0.1723 ( 2657 PWs) bands (ev): -27.0418 -27.0418 -27.0221 -27.0221 -23.1180 -23.1180 -23.0878 -23.0878 -9.3743 -9.3743 -9.3007 -9.3007 -7.3051 -7.3051 -7.0826 -7.0826 -6.5762 -6.5762 -6.3915 -6.3915 -4.8176 -4.8176 -4.5842 -4.5842 -4.4580 -4.4580 -4.2772 -4.2772 -2.4094 -2.4094 -2.3229 -2.3229 8.8700 8.8700 9.5020 9.5020 k = 0.3833-0.2071 0.1686 ( 2658 PWs) bands (ev): -27.0441 -27.0441 -27.0238 -27.0238 -23.1193 -23.1193 -23.0880 -23.0880 -9.3710 -9.3710 -9.3053 -9.3053 -7.2901 -7.2901 -7.0683 -7.0683 -6.5711 -6.5711 -6.3909 -6.3909 -4.8104 -4.8104 -4.5816 -4.5816 -4.4558 -4.4558 -4.2794 -4.2794 -2.4019 -2.4019 -2.3311 -2.3311 8.7530 8.7530 9.4232 9.4232 k = 0.3750-0.2026 0.1649 ( 2658 PWs) bands (ev): -27.0467 -27.0467 -27.0254 -27.0254 -23.1211 -23.1211 -23.0878 -23.0878 -9.3687 -9.3687 -9.3088 -9.3088 -7.2740 -7.2740 -7.0532 -7.0532 -6.5657 -6.5657 -6.3903 -6.3903 -4.8028 -4.8028 -4.5788 -4.5788 -4.4535 -4.4535 -4.2817 -4.2817 -2.3941 -2.3941 -2.3397 -2.3397 8.6365 8.6365 9.3458 9.3458 k = 0.3667-0.1981 0.1613 ( 2661 PWs) bands (ev): -27.0497 -27.0497 -27.0269 -27.0269 -23.1234 -23.1234 -23.0870 -23.0870 -9.3682 -9.3682 -9.3105 -9.3105 -7.2571 -7.2571 -7.0373 -7.0373 -6.5599 -6.5599 -6.3896 -6.3896 -4.7948 -4.7948 -4.5759 -4.5759 -4.4511 -4.4511 -4.2840 -4.2840 -2.3860 -2.3860 -2.3487 -2.3487 8.5207 8.5207 9.2699 9.2699 k = 0.3583-0.1936 0.1576 ( 2658 PWs) bands (ev): -27.0529 -27.0529 -27.0284 -27.0284 -23.1262 -23.1262 -23.0859 -23.0859 -9.3700 -9.3700 -9.3100 -9.3100 -7.2393 -7.2393 -7.0206 -7.0206 -6.5539 -6.5539 -6.3889 -6.3889 -4.7865 -4.7865 -4.5729 -4.5729 -4.4485 -4.4485 -4.2862 -4.2862 -2.3781 -2.3781 -2.3577 -2.3577 8.4057 8.4057 9.1956 9.1956 k = 0.3500-0.1891 0.1539 ( 2656 PWs) bands (ev): -27.0563 -27.0563 -27.0298 -27.0298 -23.1294 -23.1294 -23.0845 -23.0845 -9.3741 -9.3741 -9.3071 -9.3071 -7.2206 -7.2206 -7.0032 -7.0032 -6.5476 -6.5476 -6.3882 -6.3882 -4.7778 -4.7778 -4.5697 -4.5697 -4.4459 -4.4459 -4.2885 -4.2885 -2.3747 -2.3747 -2.3623 -2.3623 8.2916 8.2916 9.1228 9.1228 k = 0.3417-0.1846 0.1503 ( 2652 PWs) bands (ev): -27.0600 -27.0600 -27.0311 -27.0311 -23.1330 -23.1330 -23.0827 -23.0827 -9.3800 -9.3800 -9.3023 -9.3023 -7.2011 -7.2011 -6.9852 -6.9852 -6.5411 -6.5411 -6.3875 -6.3875 -4.7689 -4.7689 -4.5664 -4.5664 -4.4431 -4.4431 -4.2907 -4.2907 -2.3824 -2.3824 -2.3560 -2.3560 8.1784 8.1784 9.0517 9.0517 k = 0.3333-0.1801 0.1466 ( 2655 PWs) bands (ev): -27.0639 -27.0639 -27.0324 -27.0324 -23.1369 -23.1369 -23.0808 -23.0808 -9.3874 -9.3874 -9.2960 -9.2960 -7.1809 -7.1809 -6.9665 -6.9665 -6.5344 -6.5344 -6.3868 -6.3868 -4.7597 -4.7597 -4.5630 -4.5630 -4.4402 -4.4402 -4.2928 -4.2928 -2.3931 -2.3931 -2.3469 -2.3469 8.0662 8.0662 8.9822 8.9822 k = 0.3250-0.1756 0.1429 ( 2653 PWs) bands (ev): -27.0680 -27.0680 -27.0337 -27.0337 -23.1410 -23.1410 -23.0786 -23.0786 -9.3957 -9.3957 -9.2887 -9.2887 -7.1600 -7.1600 -6.9473 -6.9473 -6.5274 -6.5274 -6.3860 -6.3860 -4.7503 -4.7503 -4.5596 -4.5596 -4.4373 -4.4373 -4.2948 -4.2948 -2.4047 -2.4047 -2.3370 -2.3370 7.9552 7.9552 8.9144 8.9144 k = 0.3167-0.1711 0.1393 ( 2646 PWs) bands (ev): -27.0723 -27.0723 -27.0349 -27.0349 -23.1454 -23.1454 -23.0763 -23.0763 -9.4047 -9.4047 -9.2806 -9.2806 -7.1384 -7.1384 -6.9275 -6.9275 -6.5202 -6.5202 -6.3852 -6.3852 -4.7406 -4.7406 -4.5560 -4.5560 -4.4342 -4.4342 -4.2966 -4.2966 -2.4168 -2.4168 -2.3268 -2.3268 7.8453 7.8453 8.8485 8.8485 k = 0.3083-0.1666 0.1356 ( 2646 PWs) bands (ev): -27.0767 -27.0767 -27.0361 -27.0361 -23.1499 -23.1499 -23.0738 -23.0738 -9.4142 -9.4142 -9.2719 -9.2719 -7.1162 -7.1162 -6.9072 -6.9072 -6.5128 -6.5128 -6.3845 -6.3845 -4.7309 -4.7309 -4.5524 -4.5524 -4.4311 -4.4311 -4.2983 -4.2983 -2.4294 -2.4294 -2.3163 -2.3163 7.7367 7.7367 8.7843 8.7843 k = 0.3000-0.1621 0.1319 ( 2649 PWs) bands (ev): -27.0812 -27.0812 -27.0373 -27.0373 -23.1546 -23.1546 -23.0712 -23.0712 -9.4241 -9.4241 -9.2627 -9.2627 -7.0935 -7.0935 -6.8866 -6.8866 -6.5053 -6.5053 -6.3837 -6.3837 -4.7210 -4.7210 -4.5488 -4.5488 -4.4279 -4.4279 -4.2998 -4.2998 -2.4424 -2.4424 -2.3056 -2.3056 7.6294 7.6294 8.7219 8.7219 k = 0.2917-0.1576 0.1283 ( 2650 PWs) bands (ev): -27.0859 -27.0859 -27.0385 -27.0385 -23.1594 -23.1594 -23.0686 -23.0686 -9.4343 -9.4343 -9.2531 -9.2531 -7.0703 -7.0703 -6.8656 -6.8656 -6.4977 -6.4977 -6.3828 -6.3828 -4.7111 -4.7111 -4.5451 -4.5451 -4.4247 -4.4247 -4.3012 -4.3012 -2.4558 -2.4558 -2.2947 -2.2947 7.5235 7.5235 8.6615 8.6615 k = 0.2833-0.1531 0.1246 ( 2651 PWs) bands (ev): -27.0906 -27.0906 -27.0396 -27.0396 -23.1644 -23.1644 -23.0659 -23.0659 -9.4447 -9.4447 -9.2433 -9.2433 -7.0466 -7.0466 -6.8443 -6.8443 -6.4899 -6.4899 -6.3820 -6.3820 -4.7011 -4.7011 -4.5414 -4.5414 -4.4214 -4.4214 -4.3022 -4.3022 -2.4695 -2.4695 -2.2837 -2.2837 7.4192 7.4192 8.6030 8.6030 k = 0.2750-0.1486 0.1210 ( 2649 PWs) bands (ev): -27.0954 -27.0954 -27.0408 -27.0408 -23.1694 -23.1694 -23.0631 -23.0631 -9.4552 -9.4552 -9.2331 -9.2331 -7.0225 -7.0225 -6.8227 -6.8227 -6.4820 -6.4820 -6.3811 -6.3811 -4.6911 -4.6911 -4.5378 -4.5378 -4.4180 -4.4180 -4.3030 -4.3030 -2.4836 -2.4836 -2.2725 -2.2725 7.3164 7.3164 8.5464 8.5464 k = 0.2667-0.1441 0.1173 ( 2647 PWs) bands (ev): -27.1002 -27.1002 -27.0419 -27.0419 -23.1745 -23.1745 -23.0602 -23.0602 -9.4659 -9.4659 -9.2227 -9.2227 -6.9981 -6.9981 -6.8010 -6.8010 -6.4740 -6.4740 -6.3802 -6.3802 -4.6812 -4.6812 -4.5342 -4.5342 -4.4146 -4.4146 -4.3035 -4.3035 -2.4979 -2.4979 -2.2613 -2.2613 7.2153 7.2153 8.4919 8.4919 k = 0.2583-0.1396 0.1136 ( 2649 PWs) bands (ev): -27.1051 -27.1051 -27.0430 -27.0430 -23.1796 -23.1796 -23.0574 -23.0574 -9.4766 -9.4766 -9.2122 -9.2122 -6.9734 -6.9734 -6.7791 -6.7791 -6.4660 -6.4660 -6.3793 -6.3793 -4.6714 -4.6714 -4.5307 -4.5307 -4.4111 -4.4111 -4.3037 -4.3037 -2.5125 -2.5125 -2.2499 -2.2499 7.1160 7.1160 8.4395 8.4395 k = 0.2500-0.1351 0.1100 ( 2646 PWs) bands (ev): -27.1099 -27.1099 -27.0442 -27.0442 -23.1848 -23.1848 -23.0545 -23.0545 -9.4873 -9.4873 -9.2015 -9.2015 -6.9486 -6.9486 -6.7572 -6.7572 -6.4580 -6.4580 -6.3783 -6.3783 -4.6618 -4.6618 -4.5272 -4.5272 -4.4076 -4.4076 -4.3036 -4.3036 -2.5273 -2.5273 -2.2386 -2.2386 7.0185 7.0185 8.3891 8.3891 k = 0.2417-0.1306 0.1063 ( 2644 PWs) bands (ev): -27.1148 -27.1148 -27.0452 -27.0452 -23.1900 -23.1900 -23.0516 -23.0516 -9.4979 -9.4979 -9.1908 -9.1908 -6.9236 -6.9236 -6.7353 -6.7353 -6.4500 -6.4500 -6.3772 -6.3772 -4.6523 -4.6523 -4.5239 -4.5239 -4.4041 -4.4041 -4.3031 -4.3031 -2.5422 -2.5422 -2.2272 -2.2272 6.9229 6.9229 8.3409 8.3409 k = 0.2333-0.1261 0.1026 ( 2642 PWs) bands (ev): -27.1197 -27.1197 -27.0463 -27.0463 -23.1952 -23.1952 -23.0487 -23.0487 -9.5086 -9.5086 -9.1799 -9.1799 -6.8985 -6.8985 -6.7135 -6.7135 -6.4420 -6.4420 -6.3761 -6.3761 -4.6431 -4.6431 -4.5206 -4.5206 -4.4005 -4.4005 -4.3022 -4.3022 -2.5573 -2.5573 -2.2159 -2.2159 6.8294 6.8294 8.2948 8.2948 k = 0.2250-0.1216 0.0990 ( 2641 PWs) bands (ev): -27.1245 -27.1245 -27.0474 -27.0474 -23.2004 -23.2004 -23.0458 -23.0458 -9.5191 -9.5191 -9.1691 -9.1691 -6.8735 -6.8735 -6.6918 -6.6918 -6.4341 -6.4341 -6.3748 -6.3748 -4.6342 -4.6342 -4.5175 -4.5175 -4.3970 -4.3970 -4.3010 -4.3010 -2.5725 -2.5725 -2.2046 -2.2046 6.7380 6.7380 8.2509 8.2509 k = 0.2167-0.1171 0.0953 ( 2643 PWs) bands (ev): -27.1293 -27.1293 -27.0484 -27.0484 -23.2055 -23.2055 -23.0430 -23.0430 -9.5296 -9.5296 -9.1582 -9.1582 -6.8485 -6.8485 -6.6703 -6.6703 -6.4262 -6.4262 -6.3734 -6.3734 -4.6256 -4.6256 -4.5145 -4.5145 -4.3934 -4.3934 -4.2993 -4.2993 -2.5878 -2.5878 -2.1933 -2.1933 6.6488 6.6488 8.2093 8.2093 k = 0.2083-0.1125 0.0916 ( 2639 PWs) bands (ev): -27.1341 -27.1341 -27.0494 -27.0494 -23.2106 -23.2106 -23.0401 -23.0401 -9.5398 -9.5398 -9.1474 -9.1474 -6.8237 -6.8237 -6.6491 -6.6491 -6.4186 -6.4186 -6.3717 -6.3717 -4.6173 -4.6173 -4.5116 -4.5116 -4.3898 -4.3898 -4.2972 -4.2972 -2.6030 -2.6030 -2.1822 -2.1822 6.5619 6.5619 8.1699 8.1699 k = 0.2000-0.1080 0.0880 ( 2638 PWs) bands (ev): -27.1387 -27.1387 -27.0504 -27.0504 -23.2156 -23.2156 -23.0373 -23.0373 -9.5500 -9.5500 -9.1367 -9.1367 -6.7991 -6.7991 -6.6282 -6.6282 -6.4111 -6.4111 -6.3698 -6.3698 -4.6095 -4.6095 -4.5089 -4.5089 -4.3863 -4.3863 -4.2948 -4.2948 -2.6182 -2.6182 -2.1712 -2.1712 6.4774 6.4774 8.1328 8.1328 k = 0.1917-0.1035 0.0843 ( 2639 PWs) bands (ev): -27.1433 -27.1433 -27.0514 -27.0514 -23.2206 -23.2206 -23.0346 -23.0346 -9.5599 -9.5599 -9.1261 -9.1261 -6.7748 -6.7748 -6.6078 -6.6078 -6.4040 -6.4040 -6.3676 -6.3676 -4.6022 -4.6022 -4.5063 -4.5063 -4.3828 -4.3828 -4.2919 -4.2919 -2.6334 -2.6334 -2.1604 -2.1604 6.3953 6.3953 8.0981 8.0981 k = 0.1833-0.0990 0.0806 ( 2636 PWs) bands (ev): -27.1478 -27.1478 -27.0524 -27.0524 -23.2254 -23.2254 -23.0319 -23.0319 -9.5696 -9.5696 -9.1156 -9.1156 -6.7510 -6.7510 -6.5880 -6.5880 -6.3972 -6.3972 -6.3648 -6.3648 -4.5954 -4.5954 -4.5037 -4.5037 -4.3793 -4.3793 -4.2886 -4.2886 -2.6484 -2.6484 -2.1497 -2.1497 6.3159 6.3159 8.0657 8.0657 k = 0.1750-0.0945 0.0770 ( 2638 PWs) bands (ev): -27.1522 -27.1522 -27.0533 -27.0533 -23.2302 -23.2302 -23.0292 -23.0292 -9.5790 -9.5790 -9.1053 -9.1053 -6.7276 -6.7276 -6.5687 -6.5687 -6.3910 -6.3910 -6.3615 -6.3615 -4.5890 -4.5890 -4.5013 -4.5013 -4.3759 -4.3759 -4.2850 -4.2850 -2.6632 -2.6632 -2.1393 -2.1393 6.2392 6.2392 8.0356 8.0356 k = 0.1667-0.0900 0.0733 ( 2637 PWs) bands (ev): -27.1565 -27.1565 -27.0542 -27.0542 -23.2348 -23.2348 -23.0266 -23.0266 -9.5882 -9.5882 -9.0952 -9.0952 -6.7048 -6.7048 -6.5501 -6.5501 -6.3852 -6.3852 -6.3576 -6.3576 -4.5833 -4.5833 -4.4989 -4.4989 -4.3725 -4.3725 -4.2810 -4.2810 -2.6779 -2.6779 -2.1291 -2.1291 6.1652 6.1652 8.0079 8.0079 k = 0.1583-0.0855 0.0696 ( 2640 PWs) bands (ev): -27.1606 -27.1606 -27.0551 -27.0551 -23.2393 -23.2393 -23.0242 -23.0242 -9.5971 -9.5971 -9.0853 -9.0853 -6.6826 -6.6826 -6.5324 -6.5324 -6.3801 -6.3801 -6.3529 -6.3529 -4.5781 -4.5781 -4.4967 -4.4967 -4.3692 -4.3692 -4.2767 -4.2767 -2.6922 -2.6922 -2.1192 -2.1192 6.0941 6.0941 7.9827 7.9827 k = 0.1500-0.0810 0.0660 ( 2643 PWs) bands (ev): -27.1646 -27.1646 -27.0559 -27.0559 -23.2437 -23.2437 -23.0217 -23.0217 -9.6056 -9.6056 -9.0758 -9.0758 -6.6612 -6.6612 -6.5155 -6.5155 -6.3753 -6.3753 -6.3476 -6.3476 -4.5735 -4.5735 -4.4945 -4.4945 -4.3660 -4.3660 -4.2722 -4.2722 -2.7062 -2.7062 -2.1096 -2.1096 6.0259 6.0259 7.9598 7.9598 k = 0.1417-0.0765 0.0623 ( 2639 PWs) bands (ev): -27.1685 -27.1685 -27.0567 -27.0567 -23.2479 -23.2479 -23.0194 -23.0194 -9.6138 -9.6138 -9.0665 -9.0665 -6.6406 -6.6406 -6.4997 -6.4997 -6.3708 -6.3708 -6.3419 -6.3419 -4.5694 -4.5694 -4.4923 -4.4923 -4.3629 -4.3629 -4.2675 -4.2675 -2.7199 -2.7199 -2.1003 -2.1003 5.9608 5.9608 7.9394 7.9394 k = 0.1333-0.0720 0.0586 ( 2639 PWs) bands (ev): -27.1722 -27.1722 -27.0574 -27.0574 -23.2519 -23.2519 -23.0172 -23.0172 -9.6217 -9.6217 -9.0576 -9.0576 -6.6210 -6.6210 -6.4850 -6.4850 -6.3663 -6.3663 -6.3358 -6.3358 -4.5659 -4.5659 -4.4902 -4.4902 -4.3599 -4.3599 -4.2626 -4.2626 -2.7331 -2.7331 -2.0914 -2.0914 5.8989 5.8989 7.9213 7.9213 k = 0.1250-0.0675 0.0550 ( 2638 PWs) bands (ev): -27.1757 -27.1757 -27.0582 -27.0582 -23.2557 -23.2557 -23.0151 -23.0151 -9.6292 -9.6292 -9.0491 -9.0491 -6.6023 -6.6023 -6.4714 -6.4714 -6.3616 -6.3616 -6.3295 -6.3295 -4.5629 -4.5629 -4.4882 -4.4882 -4.3570 -4.3570 -4.2576 -4.2576 -2.7459 -2.7459 -2.0828 -2.0828 5.8402 5.8402 7.9057 7.9057 k = 0.1167-0.0630 0.0513 ( 2637 PWs) bands (ev): -27.1790 -27.1790 -27.0588 -27.0588 -23.2593 -23.2593 -23.0131 -23.0131 -9.6362 -9.6362 -9.0409 -9.0409 -6.5848 -6.5848 -6.4591 -6.4591 -6.3567 -6.3567 -6.3232 -6.3232 -4.5604 -4.5604 -4.4863 -4.4863 -4.3541 -4.3541 -4.2526 -4.2526 -2.7581 -2.7581 -2.0747 -2.0747 5.7848 5.7848 7.8924 7.8924 k = 0.1083-0.0585 0.0476 ( 2635 PWs) bands (ev): -27.1821 -27.1821 -27.0595 -27.0595 -23.2628 -23.2628 -23.0112 -23.0112 -9.6429 -9.6429 -9.0332 -9.0332 -6.5685 -6.5685 -6.4482 -6.4482 -6.3516 -6.3516 -6.3168 -6.3168 -4.5583 -4.5583 -4.4845 -4.4845 -4.3514 -4.3514 -4.2477 -4.2477 -2.7697 -2.7697 -2.0669 -2.0669 5.7328 5.7328 7.8815 7.8815 k = 0.1000-0.0540 0.0440 ( 2634 PWs) bands (ev): -27.1851 -27.1851 -27.0601 -27.0601 -23.2660 -23.2660 -23.0094 -23.0094 -9.6491 -9.6491 -9.0259 -9.0259 -6.5534 -6.5534 -6.4384 -6.4384 -6.3461 -6.3461 -6.3105 -6.3105 -4.5566 -4.5566 -4.4827 -4.4827 -4.3489 -4.3489 -4.2428 -4.2428 -2.7807 -2.7807 -2.0597 -2.0597 5.6843 5.6843 7.8728 7.8728 k = 0.0917-0.0495 0.0403 ( 2632 PWs) bands (ev): -27.1878 -27.1878 -27.0606 -27.0606 -23.2690 -23.2690 -23.0077 -23.0077 -9.6549 -9.6549 -9.0191 -9.0191 -6.5396 -6.5396 -6.4298 -6.4298 -6.3404 -6.3404 -6.3043 -6.3043 -4.5552 -4.5552 -4.4812 -4.4812 -4.3464 -4.3464 -4.2380 -4.2380 -2.7910 -2.7910 -2.0529 -2.0529 5.6394 5.6394 7.8664 7.8664 k = 0.0833-0.0450 0.0367 ( 2632 PWs) bands (ev): -27.1903 -27.1903 -27.0611 -27.0611 -23.2718 -23.2718 -23.0062 -23.0062 -9.6603 -9.6603 -9.0128 -9.0128 -6.5272 -6.5272 -6.4223 -6.4223 -6.3347 -6.3347 -6.2983 -6.2983 -4.5541 -4.5541 -4.4797 -4.4797 -4.3441 -4.3441 -4.2335 -4.2335 -2.8006 -2.8006 -2.0466 -2.0466 5.5981 5.5981 7.8621 7.8621 k = 0.0750-0.0405 0.0330 ( 2633 PWs) bands (ev): -27.1926 -27.1926 -27.0616 -27.0616 -23.2743 -23.2743 -23.0048 -23.0048 -9.6652 -9.6652 -9.0071 -9.0071 -6.5163 -6.5163 -6.4158 -6.4158 -6.3290 -6.3290 -6.2925 -6.2925 -4.5533 -4.5533 -4.4784 -4.4784 -4.3420 -4.3420 -4.2292 -4.2292 -2.8095 -2.8095 -2.0408 -2.0408 5.5605 5.5605 7.8598 7.8598 k = 0.0667-0.0360 0.0293 ( 2633 PWs) bands (ev): -27.1947 -27.1947 -27.0620 -27.0620 -23.2766 -23.2766 -23.0036 -23.0036 -9.6695 -9.6695 -9.0019 -9.0019 -6.5067 -6.5067 -6.4100 -6.4100 -6.3236 -6.3236 -6.2870 -6.2870 -4.5526 -4.5526 -4.4773 -4.4773 -4.3401 -4.3401 -4.2252 -4.2252 -2.8175 -2.8175 -2.0356 -2.0356 5.5267 5.5267 7.8592 7.8592 k = 0.0583-0.0315 0.0257 ( 2626 PWs) bands (ev): -27.1965 -27.1965 -27.0624 -27.0624 -23.2786 -23.2786 -23.0025 -23.0025 -9.6734 -9.6734 -8.9972 -8.9972 -6.4985 -6.4985 -6.4049 -6.4049 -6.3186 -6.3186 -6.2819 -6.2819 -4.5521 -4.5521 -4.4763 -4.4763 -4.3383 -4.3383 -4.2216 -4.2216 -2.8247 -2.8247 -2.0310 -2.0310 5.4967 5.4967 7.8603 7.8603 k = 0.0500-0.0270 0.0220 ( 2620 PWs) bands (ev): -27.1981 -27.1981 -27.0627 -27.0627 -23.2804 -23.2804 -23.0015 -23.0015 -9.6768 -9.6768 -8.9931 -8.9931 -6.4916 -6.4916 -6.4005 -6.4005 -6.3140 -6.3140 -6.2772 -6.2772 -4.5518 -4.5518 -4.4754 -4.4754 -4.3368 -4.3368 -4.2184 -4.2184 -2.8310 -2.8310 -2.0269 -2.0269 5.4707 5.4707 7.8626 7.8626 k = 0.0417-0.0225 0.0183 ( 2616 PWs) bands (ev): -27.1995 -27.1995 -27.0630 -27.0630 -23.2819 -23.2819 -23.0007 -23.0007 -9.6797 -9.6797 -8.9897 -8.9897 -6.4860 -6.4860 -6.3968 -6.3968 -6.3101 -6.3101 -6.2731 -6.2731 -4.5515 -4.5515 -4.4747 -4.4747 -4.3355 -4.3355 -4.2156 -4.2156 -2.8364 -2.8364 -2.0234 -2.0234 5.4485 5.4485 7.8659 7.8659 k = 0.0333-0.0180 0.0147 ( 2614 PWs) bands (ev): -27.2006 -27.2006 -27.0632 -27.0632 -23.2831 -23.2831 -23.0000 -23.0000 -9.6821 -9.6821 -8.9868 -8.9868 -6.4816 -6.4816 -6.3936 -6.3936 -6.3068 -6.3068 -6.2696 -6.2696 -4.5513 -4.5513 -4.4741 -4.4741 -4.3343 -4.3343 -4.2132 -4.2132 -2.8408 -2.8408 -2.0206 -2.0206 5.4303 5.4303 7.8696 7.8696 k = 0.0250-0.0135 0.0110 ( 2612 PWs) bands (ev): -27.2015 -27.2015 -27.0634 -27.0634 -23.2841 -23.2841 -22.9994 -22.9994 -9.6839 -9.6839 -8.9846 -8.9846 -6.4782 -6.4782 -6.3912 -6.3912 -6.3041 -6.3041 -6.2668 -6.2668 -4.5512 -4.5512 -4.4736 -4.4736 -4.3335 -4.3335 -4.2114 -4.2114 -2.8443 -2.8443 -2.0183 -2.0183 5.4161 5.4161 7.8733 7.8733 k = 0.0167-0.0090 0.0073 ( 2608 PWs) bands (ev): -27.2021 -27.2021 -27.0635 -27.0635 -23.2848 -23.2848 -22.9991 -22.9991 -9.6852 -9.6852 -8.9830 -8.9830 -6.4759 -6.4759 -6.3894 -6.3894 -6.3023 -6.3023 -6.2648 -6.2648 -4.5512 -4.5512 -4.4733 -4.4733 -4.3329 -4.3329 -4.2100 -4.2100 -2.8468 -2.8468 -2.0167 -2.0167 5.4060 5.4060 7.8765 7.8765 k = 0.0083-0.0045 0.0037 ( 2609 PWs) bands (ev): -27.2025 -27.2025 -27.0636 -27.0636 -23.2852 -23.2852 -22.9988 -22.9988 -9.6861 -9.6861 -8.9820 -8.9820 -6.4745 -6.4745 -6.3883 -6.3883 -6.3011 -6.3011 -6.2636 -6.2636 -4.5511 -4.5511 -4.4731 -4.4731 -4.3325 -4.3325 -4.2092 -4.2092 -2.8483 -2.8483 -2.0158 -2.0158 5.3999 5.3999 7.8786 7.8786 k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -27.2026 -27.2026 -27.0636 -27.0636 -23.2853 -23.2853 -22.9988 -22.9988 -9.6863 -9.6863 -8.9817 -8.9817 -6.4741 -6.4741 -6.3879 -6.3879 -6.3007 -6.3007 -6.2632 -6.2632 -4.5511 -4.5511 -4.4731 -4.4731 -4.3324 -4.3324 -4.2090 -4.2090 -2.8488 -2.8488 -2.0154 -2.0154 5.3979 5.3979 7.8794 7.8794 Writing output data file F2.save init_run : 0.06s CPU 0.19s WALL ( 1 calls) electrons : 63.14s CPU 64.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 63.13s CPU 64.68s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 457 calls) cegterg : 57.79s CPU 58.82s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 27.38s CPU 28.23s WALL ( 6622 calls) s_psi : 0.64s CPU 0.62s WALL ( 6622 calls) g_psi : 0.08s CPU 0.09s WALL ( 5708 calls) cdiaghg : 29.02s CPU 29.36s WALL ( 6165 calls) cegterg:over : 1.95s CPU 2.00s WALL ( 5708 calls) cegterg:upda : 1.44s CPU 1.45s WALL ( 5708 calls) cegterg:last : 0.68s CPU 0.73s WALL ( 914 calls) cdiaghg:chol : 1.41s CPU 1.46s WALL ( 6165 calls) cdiaghg:inve : 0.99s CPU 0.95s WALL ( 6165 calls) cdiaghg:para : 1.54s CPU 1.59s WALL ( 12330 calls) Called by h_psi: h_psi:vloc : 25.67s CPU 26.41s WALL ( 6622 calls) h_psi:vnl : 1.67s CPU 1.77s WALL ( 6622 calls) add_vuspsi : 0.70s CPU 0.74s WALL ( 6622 calls) General routines calbec : 0.96s CPU 1.02s WALL ( 6622 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.94s CPU 24.75s WALL ( 491440 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 914 calls) Parallel routines fft_scatter : 10.42s CPU 10.76s WALL ( 491463 calls) PWSCF : 1m15.56s CPU 1m32.79s WALL This run was terminated on: 18:26:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=