Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 0: 8:14 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BeI2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 165 61 16 8369 1884 269 Max 166 62 17 8373 1913 274 Sum 11931 4447 1213 602717 136753 19529 bravais-lattice index = 14 lattice parameter (alat) = 13.3882 a.u. unit-cell volume = 1388.3334 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.388202 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638393 celldm(5)= -0.637191 celldm(6)= 0.275584 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.275584 0.961277 0.000000 ) a(3) = ( -0.637191 -0.481436 0.601836 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.286685 0.829413 ) b(2) = ( 0.000000 1.040283 0.832168 ) b(3) = ( 0.000000 0.000000 1.661581 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) I 7.00 126.90450 I( 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= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( -0.0094374 0.0125231 0.0157070), wk = 0.0033784 k( 3) = ( -0.0188748 0.0250462 0.0314140), wk = 0.0033784 k( 4) = ( -0.0283121 0.0375693 0.0471209), wk = 0.0033784 k( 5) = ( -0.0377495 0.0500924 0.0628279), wk = 0.0033784 k( 6) = ( -0.0471869 0.0626155 0.0785349), wk = 0.0033784 k( 7) = ( -0.0566243 0.0751386 0.0942419), wk = 0.0033784 k( 8) = ( -0.0660617 0.0876617 0.1099489), wk = 0.0033784 k( 9) = ( -0.0754990 0.1001848 0.1256558), wk = 0.0033784 k( 10) = ( -0.0849364 0.1127079 0.1413628), wk = 0.0033784 k( 11) = ( -0.0943738 0.1252310 0.1570698), wk = 0.0033784 k( 12) = ( -0.1038112 0.1377541 0.1727768), wk = 0.0033784 k( 13) = ( -0.1132486 0.1502772 0.1884837), wk = 0.0033784 k( 14) = ( -0.1226860 0.1628003 0.2041907), wk = 0.0033784 k( 15) = ( -0.1321233 0.1753234 0.2198977), wk = 0.0033784 k( 16) = ( -0.1415607 0.1878465 0.2356047), wk = 0.0033784 k( 17) = ( -0.1509981 0.2003696 0.2513117), wk = 0.0033784 k( 18) = ( -0.1604355 0.2128927 0.2670186), wk = 0.0033784 k( 19) = ( -0.1698728 0.2254159 0.2827256), wk = 0.0033784 k( 20) = ( -0.1793102 0.2379390 0.2984326), wk = 0.0033784 k( 21) = ( -0.1887476 0.2504621 0.3141396), wk = 0.0033784 k( 22) = ( -0.1981850 0.2629852 0.3298466), wk = 0.0033784 k( 23) = ( -0.2076224 0.2755083 0.3455535), wk = 0.0033784 k( 24) = ( -0.2170598 0.2880314 0.3612605), wk = 0.0033784 k( 25) = ( -0.2264971 0.3005545 0.3769675), wk = 0.0033784 k( 26) = ( -0.2359345 0.3130776 0.3926745), wk = 0.0033784 k( 27) = ( -0.2453719 0.3256007 0.4083815), wk = 0.0033784 k( 28) = ( -0.2548093 0.3381238 0.4240884), wk = 0.0033784 k( 29) = ( -0.2642467 0.3506469 0.4397954), wk = 0.0033784 k( 30) = ( -0.2736840 0.3631700 0.4555024), wk = 0.0033784 k( 31) = ( -0.2831214 0.3756931 0.4712094), wk = 0.0033784 k( 32) = ( -0.2925588 0.3882162 0.4869163), wk = 0.0033784 k( 33) = ( -0.3019962 0.4007393 0.5026233), wk = 0.0033784 k( 34) = ( -0.3114336 0.4132624 0.5183303), wk = 0.0033784 k( 35) = ( -0.3208709 0.4257855 0.5340373), wk = 0.0033784 k( 36) = ( -0.3208709 0.4257855 0.5340373), wk = 0.0033784 k( 37) = ( -0.3114555 0.4132915 0.5496559), wk = 0.0033784 k( 38) = ( -0.3020400 0.4007975 0.5652745), wk = 0.0033784 k( 39) = ( -0.2926246 0.3883035 0.5808931), wk = 0.0033784 k( 40) = ( -0.2832091 0.3758095 0.5965117), wk = 0.0033784 k( 41) = ( -0.2737937 0.3633155 0.6121303), wk = 0.0033784 k( 42) = ( -0.2643782 0.3508215 0.6277488), wk = 0.0033784 k( 43) = ( -0.2549628 0.3383275 0.6433674), wk = 0.0033784 k( 44) = ( -0.2455473 0.3258335 0.6589860), wk = 0.0033784 k( 45) = ( -0.2361319 0.3133395 0.6746046), wk = 0.0033784 k( 46) = ( -0.2267164 0.3008455 0.6902232), wk = 0.0033784 k( 47) = ( -0.2173010 0.2883515 0.7058418), wk = 0.0033784 k( 48) = ( -0.2078855 0.2758574 0.7214604), wk = 0.0033784 k( 49) = ( -0.1984701 0.2633634 0.7370790), wk = 0.0033784 k( 50) = ( -0.1890546 0.2508694 0.7526976), wk = 0.0033784 k( 51) = ( -0.1796392 0.2383754 0.7683162), wk = 0.0033784 k( 52) = ( -0.1702237 0.2258814 0.7839348), wk = 0.0033784 k( 53) = ( -0.1608083 0.2133874 0.7995534), wk = 0.0033784 k( 54) = ( -0.1513928 0.2008934 0.8151720), wk = 0.0033784 k( 55) = ( -0.1419773 0.1883994 0.8307906), wk = 0.0033784 k( 56) = ( -0.1419773 0.1883994 0.8307906), wk = 0.0033784 k( 57) = ( -0.1290703 0.1712722 0.8307906), wk = 0.0033784 k( 58) = ( -0.1161633 0.1541450 0.8307906), wk = 0.0033784 k( 59) = ( -0.1032562 0.1370177 0.8307906), wk = 0.0033784 k( 60) = ( -0.0903492 0.1198905 0.8307906), wk = 0.0033784 k( 61) = ( -0.0774422 0.1027633 0.8307906), wk = 0.0033784 k( 62) = ( -0.0645352 0.0856361 0.8307906), wk = 0.0033784 k( 63) = ( -0.0516281 0.0685089 0.8307906), wk = 0.0033784 k( 64) = ( -0.0387211 0.0513817 0.8307906), wk = 0.0033784 k( 65) = ( -0.0258141 0.0342544 0.8307906), wk = 0.0033784 k( 66) = ( -0.0129070 0.0171272 0.8307906), wk = 0.0033784 k( 67) = ( 0.0000000 0.0000000 0.8307906), wk = 0.0033784 k( 68) = ( 0.0000000 0.0000000 0.8307906), wk = 0.0033784 k( 69) = ( 0.0178571 0.0134571 0.8307906), wk = 0.0033784 k( 70) = ( 0.0357143 0.0269142 0.8307906), wk = 0.0033784 k( 71) = ( 0.0535714 0.0403713 0.8307906), wk = 0.0033784 k( 72) = ( 0.0714286 0.0538284 0.8307906), wk = 0.0033784 k( 73) = ( 0.0892857 0.0672855 0.8307906), wk = 0.0033784 k( 74) = ( 0.1071429 0.0807426 0.8307906), wk = 0.0033784 k( 75) = ( 0.1250000 0.0941997 0.8307906), wk = 0.0033784 k( 76) = ( 0.1428571 0.1076568 0.8307906), wk = 0.0033784 k( 77) = ( 0.1607143 0.1211139 0.8307906), wk = 0.0033784 k( 78) = ( 0.1785714 0.1345710 0.8307906), wk = 0.0033784 k( 79) = ( 0.1964286 0.1480281 0.8307906), wk = 0.0033784 k( 80) = ( 0.2142857 0.1614852 0.8307906), wk = 0.0033784 k( 81) = ( 0.2321429 0.1749423 0.8307906), wk = 0.0033784 k( 82) = ( 0.2500000 0.1883994 0.8307906), wk = 0.0033784 k( 83) = ( 0.2500000 0.1883994 0.8307906), wk = 0.0033784 k( 84) = ( 0.2407407 0.2006861 0.8154311), wk = 0.0033784 k( 85) = ( 0.2314815 0.2129729 0.8000716), wk = 0.0033784 k( 86) = ( 0.2222222 0.2252596 0.7847121), wk = 0.0033784 k( 87) = ( 0.2129630 0.2375464 0.7693526), wk = 0.0033784 k( 88) = ( 0.2037037 0.2498331 0.7539931), wk = 0.0033784 k( 89) = ( 0.1944444 0.2621199 0.7386336), wk = 0.0033784 k( 90) = ( 0.1851852 0.2744066 0.7232741), wk = 0.0033784 k( 91) = ( 0.1759259 0.2866933 0.7079146), wk = 0.0033784 k( 92) = ( 0.1666667 0.2989801 0.6925551), wk = 0.0033784 k( 93) = ( 0.1574074 0.3112668 0.6771956), wk = 0.0033784 k( 94) = ( 0.1481482 0.3235536 0.6618361), wk = 0.0033784 k( 95) = ( 0.1388889 0.3358403 0.6464766), wk = 0.0033784 k( 96) = ( 0.1296296 0.3481270 0.6311171), wk = 0.0033784 k( 97) = ( 0.1203704 0.3604138 0.6157576), wk = 0.0033784 k( 98) = ( 0.1111111 0.3727005 0.6003981), wk = 0.0033784 k( 99) = ( 0.1018518 0.3849873 0.5850386), wk = 0.0033784 k( 100) = ( 0.0925926 0.3972740 0.5696791), wk = 0.0033784 k( 101) = ( 0.0833333 0.4095608 0.5543196), wk = 0.0033784 k( 102) = ( 0.0740741 0.4218475 0.5389601), wk = 0.0033784 k( 103) = ( 0.0648148 0.4341342 0.5236006), wk = 0.0033784 k( 104) = ( 0.0555556 0.4464210 0.5082412), wk = 0.0033784 k( 105) = ( 0.0462963 0.4587077 0.4928817), wk = 0.0033784 k( 106) = ( 0.0370370 0.4709945 0.4775222), wk = 0.0033784 k( 107) = ( 0.0277778 0.4832812 0.4621627), wk = 0.0033784 k( 108) = ( 0.0185185 0.4955679 0.4468032), wk = 0.0033784 k( 109) = ( 0.0092593 0.5078547 0.4314437), wk = 0.0033784 k( 110) = ( 0.0000000 0.5201414 0.4160842), wk = 0.0033784 k( 111) = ( 0.0000000 0.5201414 0.4160842), wk = 0.0033784 k( 112) = ( 0.0200544 0.5260387 0.4087121), wk = 0.0033784 k( 113) = ( 0.0401089 0.5319359 0.4013400), wk = 0.0033784 k( 114) = ( 0.0601633 0.5378332 0.3939680), wk = 0.0033784 k( 115) = ( 0.0802177 0.5437304 0.3865959), wk = 0.0033784 k( 116) = ( 0.1002722 0.5496277 0.3792238), wk = 0.0033784 k( 117) = ( 0.1203266 0.5555249 0.3718518), wk = 0.0033784 k( 118) = ( 0.1403810 0.5614221 0.3644797), wk = 0.0033784 k( 119) = ( 0.1604355 0.5673194 0.3571076), wk = 0.0033784 k( 120) = ( 0.1804899 0.5732166 0.3497355), wk = 0.0033784 k( 121) = ( 0.2005443 0.5791139 0.3423635), wk = 0.0033784 k( 122) = ( 0.2205988 0.5850111 0.3349914), wk = 0.0033784 k( 123) = ( 0.2406532 0.5909084 0.3276193), wk = 0.0033784 k( 124) = ( 0.2607076 0.5968056 0.3202473), wk = 0.0033784 k( 125) = ( 0.2807621 0.6027029 0.3128752), wk = 0.0033784 k( 126) = ( 0.3008165 0.6086001 0.3055031), wk = 0.0033784 k( 127) = ( 0.3208709 0.6144973 0.2981310), wk = 0.0033784 k( 128) = ( 0.3208709 0.6144973 0.2981310), wk = 0.0033784 k( 129) = ( 0.3302988 0.6019869 0.2824399), wk = 0.0033784 k( 130) = ( 0.3397266 0.5894764 0.2667488), wk = 0.0033784 k( 131) = ( 0.3491545 0.5769660 0.2510577), wk = 0.0033784 k( 132) = ( 0.3585823 0.5644555 0.2353666), wk = 0.0033784 k( 133) = ( 0.3680102 0.5519451 0.2196755), wk = 0.0033784 k( 134) = ( 0.3774380 0.5394346 0.2039844), wk = 0.0033784 k( 135) = ( 0.3868659 0.5269242 0.1882933), wk = 0.0033784 k( 136) = ( 0.3962937 0.5144137 0.1726022), wk = 0.0033784 k( 137) = ( 0.4057215 0.5019033 0.1569111), wk = 0.0033784 k( 138) = ( 0.4151494 0.4893929 0.1412200), wk = 0.0033784 k( 139) = ( 0.4245772 0.4768824 0.1255289), wk = 0.0033784 k( 140) = ( 0.4340051 0.4643720 0.1098377), wk = 0.0033784 k( 141) = ( 0.4434329 0.4518615 0.0941466), wk = 0.0033784 k( 142) = ( 0.4528608 0.4393511 0.0784555), wk = 0.0033784 k( 143) = ( 0.4622886 0.4268406 0.0627644), wk = 0.0033784 k( 144) = ( 0.4717165 0.4143302 0.0470733), wk = 0.0033784 k( 145) = ( 0.4811443 0.4018197 0.0313822), wk = 0.0033784 k( 146) = ( 0.4905722 0.3893093 0.0156911), wk = 0.0033784 k( 147) = ( 0.5000000 0.3767988 0.0000000), wk = 0.0033784 k( 148) = ( 0.5000000 0.3767988 0.0000000), wk = 0.0033784 k( 149) = ( 0.4821429 0.3633417 0.0000000), wk = 0.0033784 k( 150) = ( 0.4642857 0.3498846 0.0000000), wk = 0.0033784 k( 151) = ( 0.4464286 0.3364275 0.0000000), wk = 0.0033784 k( 152) = ( 0.4285714 0.3229704 0.0000000), wk = 0.0033784 k( 153) = ( 0.4107143 0.3095133 0.0000000), wk = 0.0033784 k( 154) = ( 0.3928571 0.2960562 0.0000000), wk = 0.0033784 k( 155) = ( 0.3750000 0.2825991 0.0000000), wk = 0.0033784 k( 156) = ( 0.3571429 0.2691420 0.0000000), wk = 0.0033784 k( 157) = ( 0.3392857 0.2556849 0.0000000), wk = 0.0033784 k( 158) = ( 0.3214286 0.2422278 0.0000000), wk = 0.0033784 k( 159) = ( 0.3035714 0.2287707 0.0000000), wk = 0.0033784 k( 160) = ( 0.2857143 0.2153136 0.0000000), wk = 0.0033784 k( 161) = ( 0.2678571 0.2018565 0.0000000), wk = 0.0033784 k( 162) = ( 0.2500000 0.1883994 0.0000000), wk = 0.0033784 k( 163) = ( 0.2321429 0.1749423 0.0000000), wk = 0.0033784 k( 164) = ( 0.2142857 0.1614852 0.0000000), wk = 0.0033784 k( 165) = ( 0.1964286 0.1480281 0.0000000), wk = 0.0033784 k( 166) = ( 0.1785714 0.1345710 0.0000000), wk = 0.0033784 k( 167) = ( 0.1607143 0.1211139 0.0000000), wk = 0.0033784 k( 168) = ( 0.1428571 0.1076568 0.0000000), wk = 0.0033784 k( 169) = ( 0.1250000 0.0941997 0.0000000), wk = 0.0033784 k( 170) = ( 0.1071429 0.0807426 0.0000000), wk = 0.0033784 k( 171) = ( 0.0892857 0.0672855 0.0000000), wk = 0.0033784 k( 172) = ( 0.0714286 0.0538284 0.0000000), wk = 0.0033784 k( 173) = ( 0.0535714 0.0403713 0.0000000), wk = 0.0033784 k( 174) = ( 0.0357143 0.0269142 0.0000000), wk = 0.0033784 k( 175) = ( 0.0178571 0.0134571 0.0000000), wk = 0.0033784 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 178) = ( 0.0094443 -0.0125323 0.0156665), wk = 0.0033784 k( 179) = ( 0.0188886 -0.0250646 0.0313329), wk = 0.0033784 k( 180) = ( 0.0283329 -0.0375969 0.0469994), wk = 0.0033784 k( 181) = ( 0.0377772 -0.0501292 0.0626658), wk = 0.0033784 k( 182) = ( 0.0472215 -0.0626615 0.0783323), wk = 0.0033784 k( 183) = ( 0.0566658 -0.0751937 0.0939987), wk = 0.0033784 k( 184) = ( 0.0661101 -0.0877260 0.1096652), wk = 0.0033784 k( 185) = ( 0.0755544 -0.1002583 0.1253317), wk = 0.0033784 k( 186) = ( 0.0849987 -0.1127906 0.1409981), wk = 0.0033784 k( 187) = ( 0.0944431 -0.1253229 0.1566646), wk = 0.0033784 k( 188) = ( 0.1038874 -0.1378552 0.1723310), wk = 0.0033784 k( 189) = ( 0.1133317 -0.1503875 0.1879975), wk = 0.0033784 k( 190) = ( 0.1227760 -0.1629198 0.2036639), wk = 0.0033784 k( 191) = ( 0.1322203 -0.1754521 0.2193304), wk = 0.0033784 k( 192) = ( 0.1416646 -0.1879844 0.2349969), wk = 0.0033784 k( 193) = ( 0.1511089 -0.2005167 0.2506633), wk = 0.0033784 k( 194) = ( 0.1605532 -0.2130490 0.2663298), wk = 0.0033784 k( 195) = ( 0.1699975 -0.2255813 0.2819962), wk = 0.0033784 k( 196) = ( 0.1794418 -0.2381136 0.2976627), wk = 0.0033784 k( 197) = ( 0.1888861 -0.2506459 0.3133291), wk = 0.0033784 k( 198) = ( 0.1983304 -0.2631781 0.3289956), wk = 0.0033784 k( 199) = ( 0.2077747 -0.2757104 0.3446620), wk = 0.0033784 k( 200) = ( 0.2172190 -0.2882427 0.3603285), wk = 0.0033784 k( 201) = ( 0.2266633 -0.3007750 0.3759950), wk = 0.0033784 k( 202) = ( 0.2361077 -0.3133073 0.3916614), wk = 0.0033784 k( 203) = ( 0.2455519 -0.3258396 0.4073279), wk = 0.0033784 k( 204) = ( 0.2549963 -0.3383719 0.4229943), wk = 0.0033784 k( 205) = ( 0.2644406 -0.3509042 0.4386608), wk = 0.0033784 k( 206) = ( 0.2738849 -0.3634365 0.4543272), wk = 0.0033784 k( 207) = ( 0.2833292 -0.3759688 0.4699937), wk = 0.0033784 k( 208) = ( 0.2927735 -0.3885011 0.4856602), wk = 0.0033784 k( 209) = ( 0.3022178 -0.4010334 0.5013266), wk = 0.0033784 k( 210) = ( 0.3116621 -0.4135656 0.5169931), wk = 0.0033784 k( 211) = ( 0.3211064 -0.4260979 0.5326595), wk = 0.0033784 k( 212) = ( 0.3211064 -0.4260979 0.5326595), wk = 0.0033784 k( 213) = ( 0.3322872 -0.4084257 0.5252875), wk = 0.0033784 k( 214) = ( 0.3434681 -0.3907535 0.5179154), wk = 0.0033784 k( 215) = ( 0.3546490 -0.3730813 0.5105433), wk = 0.0033784 k( 216) = ( 0.3658298 -0.3554091 0.5031712), wk = 0.0033784 k( 217) = ( 0.3770107 -0.3377369 0.4957992), wk = 0.0033784 k( 218) = ( 0.3881915 -0.3200647 0.4884271), wk = 0.0033784 k( 219) = ( 0.3993723 -0.3023925 0.4810550), wk = 0.0033784 k( 220) = ( 0.4105532 -0.2847203 0.4736830), wk = 0.0033784 k( 221) = ( 0.4217341 -0.2670481 0.4663109), wk = 0.0033784 k( 222) = ( 0.4329149 -0.2493759 0.4589388), wk = 0.0033784 k( 223) = ( 0.4440958 -0.2317037 0.4515668), wk = 0.0033784 k( 224) = ( 0.4552766 -0.2140314 0.4441947), wk = 0.0033784 k( 225) = ( 0.4664574 -0.1963592 0.4368226), wk = 0.0033784 k( 226) = ( 0.4776383 -0.1786870 0.4294505), wk = 0.0033784 k( 227) = ( 0.4888191 -0.1610148 0.4220785), wk = 0.0033784 k( 228) = ( 0.5000000 -0.1433426 0.4147064), wk = 0.0033784 k( 229) = ( 0.5000000 -0.1433426 0.4147064), wk = 0.0033784 k( 230) = ( 0.4907407 -0.1310559 0.4301169), wk = 0.0033784 k( 231) = ( 0.4814815 -0.1187691 0.4455275), wk = 0.0033784 k( 232) = ( 0.4722222 -0.1064824 0.4609380), wk = 0.0033784 k( 233) = ( 0.4629630 -0.0941956 0.4763485), wk = 0.0033784 k( 234) = ( 0.4537037 -0.0819089 0.4917590), wk = 0.0033784 k( 235) = ( 0.4444444 -0.0696222 0.5071696), wk = 0.0033784 k( 236) = ( 0.4351852 -0.0573354 0.5225801), wk = 0.0033784 k( 237) = ( 0.4259259 -0.0450487 0.5379906), wk = 0.0033784 k( 238) = ( 0.4166667 -0.0327619 0.5534011), wk = 0.0033784 k( 239) = ( 0.4074074 -0.0204752 0.5688116), wk = 0.0033784 k( 240) = ( 0.3981481 -0.0081885 0.5842222), wk = 0.0033784 k( 241) = ( 0.3888889 0.0040983 0.5996327), wk = 0.0033784 k( 242) = ( 0.3796296 0.0163850 0.6150432), wk = 0.0033784 k( 243) = ( 0.3703704 0.0286718 0.6304538), wk = 0.0033784 k( 244) = ( 0.3611111 0.0409585 0.6458643), wk = 0.0033784 k( 245) = ( 0.3518519 0.0532453 0.6612748), wk = 0.0033784 k( 246) = ( 0.3425926 0.0655320 0.6766853), wk = 0.0033784 k( 247) = ( 0.3333333 0.0778187 0.6920959), wk = 0.0033784 k( 248) = ( 0.3240741 0.0901055 0.7075064), wk = 0.0033784 k( 249) = ( 0.3148148 0.1023922 0.7229169), wk = 0.0033784 k( 250) = ( 0.3055556 0.1146790 0.7383274), wk = 0.0033784 k( 251) = ( 0.2962963 0.1269657 0.7537379), wk = 0.0033784 k( 252) = ( 0.2870370 0.1392524 0.7691485), wk = 0.0033784 k( 253) = ( 0.2777778 0.1515392 0.7845590), wk = 0.0033784 k( 254) = ( 0.2685185 0.1638259 0.7999695), wk = 0.0033784 k( 255) = ( 0.2592593 0.1761127 0.8153800), wk = 0.0033784 k( 256) = ( 0.2500000 0.1883994 0.8307906), wk = 0.0033784 k( 257) = ( 0.1419773 -0.1883994 0.8307906), wk = 0.0033784 k( 258) = ( 0.1514052 -0.2009099 0.8150995), wk = 0.0033784 k( 259) = ( 0.1608330 -0.2134203 0.7994084), wk = 0.0033784 k( 260) = ( 0.1702609 -0.2259308 0.7837173), wk = 0.0033784 k( 261) = ( 0.1796887 -0.2384412 0.7680261), wk = 0.0033784 k( 262) = ( 0.1891166 -0.2509517 0.7523350), wk = 0.0033784 k( 263) = ( 0.1985444 -0.2634621 0.7366439), wk = 0.0033784 k( 264) = ( 0.2079723 -0.2759726 0.7209528), wk = 0.0033784 k( 265) = ( 0.2174001 -0.2884830 0.7052617), wk = 0.0033784 k( 266) = ( 0.2268280 -0.3009935 0.6895706), wk = 0.0033784 k( 267) = ( 0.2362558 -0.3135039 0.6738795), wk = 0.0033784 k( 268) = ( 0.2456836 -0.3260144 0.6581884), wk = 0.0033784 k( 269) = ( 0.2551115 -0.3385248 0.6424973), wk = 0.0033784 k( 270) = ( 0.2645393 -0.3510352 0.6268062), wk = 0.0033784 k( 271) = ( 0.2739672 -0.3635457 0.6111151), wk = 0.0033784 k( 272) = ( 0.2833950 -0.3760561 0.5954240), wk = 0.0033784 k( 273) = ( 0.2928229 -0.3885666 0.5797328), wk = 0.0033784 k( 274) = ( 0.3022507 -0.4010770 0.5640417), wk = 0.0033784 k( 275) = ( 0.3116785 -0.4135875 0.5483506), wk = 0.0033784 k( 276) = ( 0.3211064 -0.4260979 0.5326595), wk = 0.0033784 k( 277) = ( 0.6788936 0.1394127 0.2967533), wk = 0.0033784 k( 278) = ( 0.6694781 0.1519067 0.2811347), wk = 0.0033784 k( 279) = ( 0.6600627 0.1644007 0.2655161), wk = 0.0033784 k( 280) = ( 0.6506472 0.1768947 0.2498975), wk = 0.0033784 k( 281) = ( 0.6412318 0.1893887 0.2342789), wk = 0.0033784 k( 282) = ( 0.6318163 0.2018827 0.2186603), wk = 0.0033784 k( 283) = ( 0.6224009 0.2143767 0.2030417), wk = 0.0033784 k( 284) = ( 0.6129854 0.2268708 0.1874231), wk = 0.0033784 k( 285) = ( 0.6035700 0.2393648 0.1718045), wk = 0.0033784 k( 286) = ( 0.5941545 0.2518588 0.1561859), wk = 0.0033784 k( 287) = ( 0.5847391 0.2643528 0.1405673), wk = 0.0033784 k( 288) = ( 0.5753236 0.2768468 0.1249488), wk = 0.0033784 k( 289) = ( 0.5659082 0.2893408 0.1093302), wk = 0.0033784 k( 290) = ( 0.5564927 0.3018348 0.0937116), wk = 0.0033784 k( 291) = ( 0.5470773 0.3143288 0.0780930), wk = 0.0033784 k( 292) = ( 0.5376618 0.3268228 0.0624744), wk = 0.0033784 k( 293) = ( 0.5282464 0.3393168 0.0468558), wk = 0.0033784 k( 294) = ( 0.5188309 0.3518108 0.0312372), wk = 0.0033784 k( 295) = ( 0.5094154 0.3643048 0.0156186), wk = 0.0033784 k( 296) = ( 0.5000000 0.3767988 0.0000000), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( -0.0094374 0.0094374 0.0094374), wk = 0.0033784 k( 3) = ( -0.0188748 0.0188748 0.0188748), wk = 0.0033784 k( 4) = ( -0.0283121 0.0283121 0.0283121), wk = 0.0033784 k( 5) = ( -0.0377495 0.0377495 0.0377495), wk = 0.0033784 k( 6) = ( -0.0471869 0.0471869 0.0471869), wk = 0.0033784 k( 7) = ( -0.0566243 0.0566243 0.0566243), wk = 0.0033784 k( 8) = ( -0.0660617 0.0660617 0.0660617), wk = 0.0033784 k( 9) = ( -0.0754990 0.0754990 0.0754990), wk = 0.0033784 k( 10) = ( -0.0849364 0.0849364 0.0849364), wk = 0.0033784 k( 11) = ( -0.0943738 0.0943738 0.0943738), wk = 0.0033784 k( 12) = ( -0.1038112 0.1038112 0.1038112), wk = 0.0033784 k( 13) = ( -0.1132486 0.1132486 0.1132486), wk = 0.0033784 k( 14) = ( -0.1226860 0.1226860 0.1226860), wk = 0.0033784 k( 15) = ( -0.1321233 0.1321233 0.1321233), wk = 0.0033784 k( 16) = ( -0.1415607 0.1415607 0.1415607), wk = 0.0033784 k( 17) = ( -0.1509981 0.1509981 0.1509981), wk = 0.0033784 k( 18) = ( -0.1604355 0.1604355 0.1604355), wk = 0.0033784 k( 19) = ( -0.1698728 0.1698728 0.1698728), wk = 0.0033784 k( 20) = ( -0.1793102 0.1793102 0.1793102), wk = 0.0033784 k( 21) = ( -0.1887476 0.1887476 0.1887476), wk = 0.0033784 k( 22) = ( -0.1981850 0.1981850 0.1981850), wk = 0.0033784 k( 23) = ( -0.2076224 0.2076224 0.2076224), wk = 0.0033784 k( 24) = ( -0.2170598 0.2170598 0.2170598), wk = 0.0033784 k( 25) = ( -0.2264971 0.2264971 0.2264971), wk = 0.0033784 k( 26) = ( -0.2359345 0.2359345 0.2359345), wk = 0.0033784 k( 27) = ( -0.2453719 0.2453719 0.2453719), wk = 0.0033784 k( 28) = ( -0.2548093 0.2548093 0.2548093), wk = 0.0033784 k( 29) = ( -0.2642467 0.2642467 0.2642467), wk = 0.0033784 k( 30) = ( -0.2736840 0.2736840 0.2736840), wk = 0.0033784 k( 31) = ( -0.2831214 0.2831214 0.2831214), wk = 0.0033784 k( 32) = ( -0.2925588 0.2925588 0.2925588), wk = 0.0033784 k( 33) = ( -0.3019962 0.3019962 0.3019962), wk = 0.0033784 k( 34) = ( -0.3114336 0.3114336 0.3114336), wk = 0.0033784 k( 35) = ( -0.3208709 0.3208709 0.3208709), wk = 0.0033784 k( 36) = ( -0.3208709 0.3208709 0.3208709), wk = 0.0033784 k( 37) = ( -0.3114555 0.3114555 0.3302864), wk = 0.0033784 k( 38) = ( -0.3020400 0.3020400 0.3397019), wk = 0.0033784 k( 39) = ( -0.2926246 0.2926246 0.3491173), wk = 0.0033784 k( 40) = ( -0.2832091 0.2832091 0.3585328), wk = 0.0033784 k( 41) = ( -0.2737937 0.2737937 0.3679482), wk = 0.0033784 k( 42) = ( -0.2643782 0.2643782 0.3773637), wk = 0.0033784 k( 43) = ( -0.2549628 0.2549628 0.3867791), wk = 0.0033784 k( 44) = ( -0.2455473 0.2455473 0.3961946), wk = 0.0033784 k( 45) = ( -0.2361319 0.2361319 0.4056100), wk = 0.0033784 k( 46) = ( -0.2267164 0.2267164 0.4150255), wk = 0.0033784 k( 47) = ( -0.2173010 0.2173010 0.4244409), wk = 0.0033784 k( 48) = ( -0.2078855 0.2078855 0.4338564), wk = 0.0033784 k( 49) = ( -0.1984701 0.1984701 0.4432718), wk = 0.0033784 k( 50) = ( -0.1890546 0.1890546 0.4526873), wk = 0.0033784 k( 51) = ( -0.1796392 0.1796392 0.4621027), wk = 0.0033784 k( 52) = ( -0.1702237 0.1702237 0.4715182), wk = 0.0033784 k( 53) = ( -0.1608083 0.1608083 0.4809336), wk = 0.0033784 k( 54) = ( -0.1513928 0.1513928 0.4903491), wk = 0.0033784 k( 55) = ( -0.1419773 0.1419773 0.4997645), wk = 0.0033784 k( 56) = ( -0.1419773 0.1419773 0.4997645), wk = 0.0033784 k( 57) = ( -0.1290703 0.1290703 0.4997859), wk = 0.0033784 k( 58) = ( -0.1161633 0.1161633 0.4998074), wk = 0.0033784 k( 59) = ( -0.1032562 0.1032562 0.4998288), wk = 0.0033784 k( 60) = ( -0.0903492 0.0903492 0.4998502), wk = 0.0033784 k( 61) = ( -0.0774422 0.0774422 0.4998716), wk = 0.0033784 k( 62) = ( -0.0645352 0.0645352 0.4998930), wk = 0.0033784 k( 63) = ( -0.0516281 0.0516281 0.4999144), wk = 0.0033784 k( 64) = ( -0.0387211 0.0387211 0.4999358), wk = 0.0033784 k( 65) = ( -0.0258141 0.0258141 0.4999572), wk = 0.0033784 k( 66) = ( -0.0129070 0.0129070 0.4999786), wk = 0.0033784 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 69) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0033784 k( 70) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0033784 k( 71) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0033784 k( 72) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0033784 k( 73) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0033784 k( 74) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0033784 k( 75) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033784 k( 76) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0033784 k( 77) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0033784 k( 78) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0033784 k( 79) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0033784 k( 80) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0033784 k( 81) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0033784 k( 82) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 k( 83) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 k( 84) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0033784 k( 85) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0033784 k( 86) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0033784 k( 87) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0033784 k( 88) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0033784 k( 89) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0033784 k( 90) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0033784 k( 91) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0033784 k( 92) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0033784 k( 93) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0033784 k( 94) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0033784 k( 95) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0033784 k( 96) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0033784 k( 97) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0033784 k( 98) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0033784 k( 99) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0033784 k( 100) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0033784 k( 101) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0033784 k( 102) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0033784 k( 103) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0033784 k( 104) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0033784 k( 105) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0033784 k( 106) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0033784 k( 107) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0033784 k( 108) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0033784 k( 109) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0033784 k( 110) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 112) = ( 0.0200544 0.5111956 -0.0200544), wk = 0.0033784 k( 113) = ( 0.0401089 0.5223911 -0.0401089), wk = 0.0033784 k( 114) = ( 0.0601633 0.5335867 -0.0601633), wk = 0.0033784 k( 115) = ( 0.0802177 0.5447823 -0.0802177), wk = 0.0033784 k( 116) = ( 0.1002722 0.5559778 -0.1002722), wk = 0.0033784 k( 117) = ( 0.1203266 0.5671734 -0.1203266), wk = 0.0033784 k( 118) = ( 0.1403810 0.5783690 -0.1403810), wk = 0.0033784 k( 119) = ( 0.1604355 0.5895645 -0.1604355), wk = 0.0033784 k( 120) = ( 0.1804899 0.6007601 -0.1804899), wk = 0.0033784 k( 121) = ( 0.2005443 0.6119557 -0.2005443), wk = 0.0033784 k( 122) = ( 0.2205988 0.6231512 -0.2205988), wk = 0.0033784 k( 123) = ( 0.2406532 0.6343468 -0.2406532), wk = 0.0033784 k( 124) = ( 0.2607076 0.6455424 -0.2607076), wk = 0.0033784 k( 125) = ( 0.2807621 0.6567379 -0.2807621), wk = 0.0033784 k( 126) = ( 0.3008165 0.6679335 -0.3008165), wk = 0.0033784 k( 127) = ( 0.3208709 0.6791291 -0.3208709), wk = 0.0033784 k( 128) = ( 0.3208709 0.6791291 -0.3208709), wk = 0.0033784 k( 129) = ( 0.3302988 0.6697012 -0.3302988), wk = 0.0033784 k( 130) = ( 0.3397266 0.6602734 -0.3397266), wk = 0.0033784 k( 131) = ( 0.3491545 0.6508455 -0.3491545), wk = 0.0033784 k( 132) = ( 0.3585823 0.6414177 -0.3585823), wk = 0.0033784 k( 133) = ( 0.3680102 0.6319898 -0.3680102), wk = 0.0033784 k( 134) = ( 0.3774380 0.6225620 -0.3774380), wk = 0.0033784 k( 135) = ( 0.3868659 0.6131341 -0.3868659), wk = 0.0033784 k( 136) = ( 0.3962937 0.6037063 -0.3962937), wk = 0.0033784 k( 137) = ( 0.4057215 0.5942785 -0.4057215), wk = 0.0033784 k( 138) = ( 0.4151494 0.5848506 -0.4151494), wk = 0.0033784 k( 139) = ( 0.4245772 0.5754228 -0.4245772), wk = 0.0033784 k( 140) = ( 0.4340051 0.5659949 -0.4340051), wk = 0.0033784 k( 141) = ( 0.4434329 0.5565671 -0.4434329), wk = 0.0033784 k( 142) = ( 0.4528608 0.5471392 -0.4528608), wk = 0.0033784 k( 143) = ( 0.4622886 0.5377114 -0.4622886), wk = 0.0033784 k( 144) = ( 0.4717165 0.5282835 -0.4717165), wk = 0.0033784 k( 145) = ( 0.4811443 0.5188557 -0.4811443), wk = 0.0033784 k( 146) = ( 0.4905722 0.5094278 -0.4905722), wk = 0.0033784 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 k( 149) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0033784 k( 150) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0033784 k( 151) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0033784 k( 152) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0033784 k( 153) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0033784 k( 154) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0033784 k( 155) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0033784 k( 156) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0033784 k( 157) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0033784 k( 158) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0033784 k( 159) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0033784 k( 160) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0033784 k( 161) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0033784 k( 162) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033784 k( 163) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0033784 k( 164) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0033784 k( 165) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0033784 k( 166) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0033784 k( 167) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0033784 k( 168) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0033784 k( 169) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0033784 k( 170) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0033784 k( 171) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0033784 k( 172) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0033784 k( 173) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0033784 k( 174) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0033784 k( 175) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0033784 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 178) = ( 0.0094443 -0.0094443 0.0094443), wk = 0.0033784 k( 179) = ( 0.0188886 -0.0188886 0.0188886), wk = 0.0033784 k( 180) = ( 0.0283329 -0.0283329 0.0283329), wk = 0.0033784 k( 181) = ( 0.0377772 -0.0377772 0.0377772), wk = 0.0033784 k( 182) = ( 0.0472215 -0.0472215 0.0472215), wk = 0.0033784 k( 183) = ( 0.0566658 -0.0566658 0.0566658), wk = 0.0033784 k( 184) = ( 0.0661101 -0.0661101 0.0661101), wk = 0.0033784 k( 185) = ( 0.0755544 -0.0755544 0.0755544), wk = 0.0033784 k( 186) = ( 0.0849987 -0.0849987 0.0849988), wk = 0.0033784 k( 187) = ( 0.0944431 -0.0944431 0.0944431), wk = 0.0033784 k( 188) = ( 0.1038874 -0.1038874 0.1038874), wk = 0.0033784 k( 189) = ( 0.1133317 -0.1133317 0.1133317), wk = 0.0033784 k( 190) = ( 0.1227760 -0.1227760 0.1227760), wk = 0.0033784 k( 191) = ( 0.1322203 -0.1322203 0.1322203), wk = 0.0033784 k( 192) = ( 0.1416646 -0.1416646 0.1416646), wk = 0.0033784 k( 193) = ( 0.1511089 -0.1511089 0.1511089), wk = 0.0033784 k( 194) = ( 0.1605532 -0.1605532 0.1605532), wk = 0.0033784 k( 195) = ( 0.1699975 -0.1699975 0.1699975), wk = 0.0033784 k( 196) = ( 0.1794418 -0.1794418 0.1794418), wk = 0.0033784 k( 197) = ( 0.1888861 -0.1888861 0.1888861), wk = 0.0033784 k( 198) = ( 0.1983304 -0.1983304 0.1983304), wk = 0.0033784 k( 199) = ( 0.2077747 -0.2077747 0.2077747), wk = 0.0033784 k( 200) = ( 0.2172190 -0.2172190 0.2172190), wk = 0.0033784 k( 201) = ( 0.2266633 -0.2266633 0.2266633), wk = 0.0033784 k( 202) = ( 0.2361077 -0.2361077 0.2361077), wk = 0.0033784 k( 203) = ( 0.2455519 -0.2455520 0.2455519), wk = 0.0033784 k( 204) = ( 0.2549963 -0.2549963 0.2549963), wk = 0.0033784 k( 205) = ( 0.2644406 -0.2644406 0.2644406), wk = 0.0033784 k( 206) = ( 0.2738849 -0.2738849 0.2738849), wk = 0.0033784 k( 207) = ( 0.2833292 -0.2833292 0.2833292), wk = 0.0033784 k( 208) = ( 0.2927735 -0.2927735 0.2927735), wk = 0.0033784 k( 209) = ( 0.3022178 -0.3022178 0.3022178), wk = 0.0033784 k( 210) = ( 0.3116621 -0.3116621 0.3116621), wk = 0.0033784 k( 211) = ( 0.3211064 -0.3211064 0.3211064), wk = 0.0033784 k( 212) = ( 0.3211064 -0.3211064 0.3211064), wk = 0.0033784 k( 213) = ( 0.3322872 -0.3010372 0.3010372), wk = 0.0033784 k( 214) = ( 0.3434681 -0.2809681 0.2809681), wk = 0.0033784 k( 215) = ( 0.3546490 -0.2608989 0.2608989), wk = 0.0033784 k( 216) = ( 0.3658298 -0.2408298 0.2408298), wk = 0.0033784 k( 217) = ( 0.3770107 -0.2207606 0.2207606), wk = 0.0033784 k( 218) = ( 0.3881915 -0.2006915 0.2006915), wk = 0.0033784 k( 219) = ( 0.3993723 -0.1806223 0.1806223), wk = 0.0033784 k( 220) = ( 0.4105532 -0.1605532 0.1605532), wk = 0.0033784 k( 221) = ( 0.4217341 -0.1404840 0.1404840), wk = 0.0033784 k( 222) = ( 0.4329149 -0.1204149 0.1204149), wk = 0.0033784 k( 223) = ( 0.4440958 -0.1003457 0.1003458), wk = 0.0033784 k( 224) = ( 0.4552766 -0.0802766 0.0802766), wk = 0.0033784 k( 225) = ( 0.4664574 -0.0602075 0.0602074), wk = 0.0033784 k( 226) = ( 0.4776383 -0.0401383 0.0401383), wk = 0.0033784 k( 227) = ( 0.4888191 -0.0200692 0.0200691), wk = 0.0033784 k( 228) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 229) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 230) = ( 0.4907407 0.0092593 0.0092593), wk = 0.0033784 k( 231) = ( 0.4814815 0.0185185 0.0185185), wk = 0.0033784 k( 232) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0033784 k( 233) = ( 0.4629630 0.0370370 0.0370370), wk = 0.0033784 k( 234) = ( 0.4537037 0.0462963 0.0462963), wk = 0.0033784 k( 235) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0033784 k( 236) = ( 0.4351852 0.0648148 0.0648148), wk = 0.0033784 k( 237) = ( 0.4259259 0.0740741 0.0740741), wk = 0.0033784 k( 238) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0033784 k( 239) = ( 0.4074074 0.0925926 0.0925926), wk = 0.0033784 k( 240) = ( 0.3981481 0.1018518 0.1018518), wk = 0.0033784 k( 241) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0033784 k( 242) = ( 0.3796296 0.1203704 0.1203704), wk = 0.0033784 k( 243) = ( 0.3703704 0.1296296 0.1296296), wk = 0.0033784 k( 244) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0033784 k( 245) = ( 0.3518519 0.1481482 0.1481482), wk = 0.0033784 k( 246) = ( 0.3425926 0.1574074 0.1574074), wk = 0.0033784 k( 247) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0033784 k( 248) = ( 0.3240741 0.1759259 0.1759259), wk = 0.0033784 k( 249) = ( 0.3148148 0.1851852 0.1851852), wk = 0.0033784 k( 250) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0033784 k( 251) = ( 0.2962963 0.2037037 0.2037037), wk = 0.0033784 k( 252) = ( 0.2870370 0.2129630 0.2129630), wk = 0.0033784 k( 253) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0033784 k( 254) = ( 0.2685185 0.2314815 0.2314815), wk = 0.0033784 k( 255) = ( 0.2592593 0.2407407 0.2407407), wk = 0.0033784 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 k( 257) = ( 0.1419773 -0.1419773 0.5002355), wk = 0.0033784 k( 258) = ( 0.1514052 -0.1514052 0.4908076), wk = 0.0033784 k( 259) = ( 0.1608330 -0.1608330 0.4813798), wk = 0.0033784 k( 260) = ( 0.1702609 -0.1702609 0.4719519), wk = 0.0033784 k( 261) = ( 0.1796887 -0.1796887 0.4625241), wk = 0.0033784 k( 262) = ( 0.1891166 -0.1891166 0.4530962), wk = 0.0033784 k( 263) = ( 0.1985444 -0.1985444 0.4436684), wk = 0.0033784 k( 264) = ( 0.2079723 -0.2079723 0.4342405), wk = 0.0033784 k( 265) = ( 0.2174001 -0.2174001 0.4248127), wk = 0.0033784 k( 266) = ( 0.2268280 -0.2268279 0.4153849), wk = 0.0033784 k( 267) = ( 0.2362558 -0.2362558 0.4059570), wk = 0.0033784 k( 268) = ( 0.2456836 -0.2456836 0.3965292), wk = 0.0033784 k( 269) = ( 0.2551115 -0.2551115 0.3871013), wk = 0.0033784 k( 270) = ( 0.2645393 -0.2645393 0.3776735), wk = 0.0033784 k( 271) = ( 0.2739672 -0.2739672 0.3682456), wk = 0.0033784 k( 272) = ( 0.2833950 -0.2833950 0.3588178), wk = 0.0033784 k( 273) = ( 0.2928229 -0.2928229 0.3493899), wk = 0.0033784 k( 274) = ( 0.3022507 -0.3022507 0.3399621), wk = 0.0033784 k( 275) = ( 0.3116785 -0.3116785 0.3305342), wk = 0.0033784 k( 276) = ( 0.3211064 -0.3211064 0.3211064), wk = 0.0033784 k( 277) = ( 0.6788936 0.3211064 -0.3211064), wk = 0.0033784 k( 278) = ( 0.6694781 0.3305218 -0.3305219), wk = 0.0033784 k( 279) = ( 0.6600627 0.3399373 -0.3399373), wk = 0.0033784 k( 280) = ( 0.6506472 0.3493528 -0.3493528), wk = 0.0033784 k( 281) = ( 0.6412318 0.3587682 -0.3587682), wk = 0.0033784 k( 282) = ( 0.6318163 0.3681837 -0.3681837), wk = 0.0033784 k( 283) = ( 0.6224009 0.3775991 -0.3775991), wk = 0.0033784 k( 284) = ( 0.6129854 0.3870146 -0.3870146), wk = 0.0033784 k( 285) = ( 0.6035700 0.3964300 -0.3964300), wk = 0.0033784 k( 286) = ( 0.5941545 0.4058455 -0.4058455), wk = 0.0033784 k( 287) = ( 0.5847391 0.4152609 -0.4152609), wk = 0.0033784 k( 288) = ( 0.5753236 0.4246764 -0.4246764), wk = 0.0033784 k( 289) = ( 0.5659082 0.4340918 -0.4340918), wk = 0.0033784 k( 290) = ( 0.5564927 0.4435073 -0.4435073), wk = 0.0033784 k( 291) = ( 0.5470773 0.4529227 -0.4529227), wk = 0.0033784 k( 292) = ( 0.5376618 0.4623382 -0.4623382), wk = 0.0033784 k( 293) = ( 0.5282464 0.4717536 -0.4717536), wk = 0.0033784 k( 294) = ( 0.5188309 0.4811691 -0.4811691), wk = 0.0033784 k( 295) = ( 0.5094154 0.4905845 -0.4905846), wk = 0.0033784 k( 296) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 Dense grid: 602717 G-vectors FFT dimensions: ( 125, 125, 125) Smooth grid: 136753 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 504, 44) NL pseudopotentials 0.63 Mb ( 252, 164) Each V/rho on FFT grid 0.48 Mb ( 31250) Each G-vector array 0.06 Mb ( 8372) G-vector shells 0.06 Mb ( 7977) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 504, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.22 Mb ( 164, 2, 44) The potential is recalculated from file : ./BeI2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 9.0 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 12.8 secs Computing kpt #: 6 total cpu time spent up to now is 14.8 secs Computing kpt #: 7 total cpu time spent up to now is 16.9 secs Computing kpt #: 8 total cpu time spent up to now is 19.0 secs Computing kpt #: 9 total cpu time spent up to now is 20.9 secs Computing kpt #: 10 total cpu time spent up to now is 22.9 secs Computing kpt #: 11 total cpu time spent up to now is 24.7 secs Computing kpt #: 12 total cpu time spent up to now is 26.7 secs Computing kpt #: 13 total cpu time spent up to now is 28.5 secs Computing kpt #: 14 total cpu time spent up to now is 30.2 secs Computing kpt #: 15 total cpu time spent up to now is 32.0 secs Computing kpt #: 16 total cpu time spent up to now is 33.8 secs Computing kpt #: 17 total cpu time spent up to now is 35.7 secs Computing kpt #: 18 total cpu time spent up to now is 37.9 secs Computing kpt #: 19 total cpu time spent up to now is 39.9 secs Computing kpt #: 20 total cpu time spent up to now is 42.3 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.7 secs Computing kpt #: 23 total cpu time spent up to now is 48.9 secs Computing kpt #: 24 total cpu time spent up to now is 51.2 secs Computing kpt #: 25 total cpu time spent up to now is 53.3 secs Computing kpt #: 26 total cpu time spent up to now is 55.5 secs Computing kpt #: 27 total cpu time spent up to now is 57.6 secs Computing kpt #: 28 total cpu time spent up to now is 59.6 secs Computing kpt #: 29 total cpu time spent up to now is 61.5 secs Computing kpt #: 30 total cpu time spent up to now is 63.4 secs Computing kpt #: 31 total cpu time spent up to now is 65.4 secs Computing kpt #: 32 total cpu time spent up to now is 67.4 secs Computing kpt #: 33 total cpu time spent up to now is 69.4 secs Computing kpt #: 34 total cpu time spent up to now is 71.3 secs Computing kpt #: 35 total cpu time spent up to now is 73.4 secs Computing kpt #: 36 total cpu time spent up to now is 75.3 secs Computing kpt #: 37 total cpu time spent up to now is 77.3 secs Computing kpt #: 38 total cpu time spent up to now is 79.4 secs Computing kpt #: 39 total cpu time spent up to now is 81.3 secs Computing kpt #: 40 total cpu time spent up to now is 83.2 secs Computing kpt #: 41 total cpu time spent up to now is 85.2 secs Computing kpt #: 42 total cpu time spent up to now is 87.0 secs Computing kpt #: 43 total cpu time spent up to now is 88.7 secs Computing kpt #: 44 total cpu time spent up to now is 90.4 secs Computing kpt #: 45 total cpu time spent up to now is 92.1 secs Computing kpt #: 46 total cpu time spent up to now is 93.7 secs Computing kpt #: 47 total cpu time spent up to now is 95.3 secs Computing kpt #: 48 total cpu time spent up to now is 97.0 secs Computing kpt #: 49 total cpu time spent up to now is 98.6 secs Computing kpt #: 50 total cpu time spent up to now is 100.2 secs Computing kpt #: 51 total cpu time spent up to now is 102.4 secs Computing kpt #: 52 total cpu time spent up to now is 104.4 secs Computing kpt #: 53 total cpu time spent up to now is 106.3 secs Computing kpt #: 54 total cpu time spent up to now is 108.2 secs Computing kpt #: 55 total cpu time spent up to now is 110.1 secs Computing kpt #: 56 total cpu time spent up to now is 112.2 secs Computing kpt #: 57 total cpu time spent up to now is 114.3 secs Computing kpt #: 58 total cpu time spent up to now is 116.3 secs Computing kpt #: 59 total cpu time spent up to now is 118.1 secs Computing kpt #: 60 total cpu time spent up to now is 119.9 secs Computing kpt #: 61 total cpu time spent up to now is 121.8 secs Computing kpt #: 62 total cpu time spent up to now is 123.8 secs Computing kpt #: 63 total cpu time spent up to now is 125.8 secs Computing kpt #: 64 total cpu time spent up to now is 127.4 secs Computing kpt #: 65 total cpu time spent up to now is 129.0 secs Computing kpt #: 66 total cpu time spent up to now is 130.6 secs Computing kpt #: 67 total cpu time spent up to now is 132.1 secs Computing kpt #: 68 total cpu time spent up to now is 133.8 secs Computing kpt #: 69 total cpu time spent up to now is 135.5 secs Computing kpt #: 70 total cpu time spent up to now is 137.2 secs Computing kpt #: 71 total cpu time spent up to now is 138.9 secs Computing kpt #: 72 total cpu time spent up to now is 140.5 secs Computing kpt #: 73 total cpu time spent up to now is 142.2 secs Computing kpt #: 74 total cpu time spent up to now is 143.7 secs Computing kpt #: 75 total cpu time spent up to now is 145.2 secs Computing kpt #: 76 total cpu time spent up to now is 146.7 secs Computing kpt #: 77 total cpu time spent up to now is 148.3 secs Computing kpt #: 78 total cpu time spent up to now is 150.0 secs Computing kpt #: 79 total cpu time spent up to now is 151.6 secs Computing kpt #: 80 total cpu time spent up to now is 153.2 secs Computing kpt #: 81 total cpu time spent up to now is 154.8 secs Computing kpt #: 82 total cpu time spent up to now is 156.4 secs Computing kpt #: 83 total cpu time spent up to now is 158.1 secs Computing kpt #: 84 total cpu time spent up to now is 159.6 secs Computing kpt #: 85 total cpu time spent up to now is 161.2 secs Computing kpt #: 86 total cpu time spent up to now is 162.9 secs Computing kpt #: 87 total cpu time spent up to now is 164.5 secs Computing kpt #: 88 total cpu time spent up to now is 166.1 secs Computing kpt #: 89 total cpu time spent up to now is 167.7 secs Computing kpt #: 90 total cpu time spent up to now is 169.2 secs Computing kpt #: 91 total cpu time spent up to now is 170.7 secs Computing kpt #: 92 total cpu time spent up to now is 172.3 secs Computing kpt #: 93 total cpu time spent up to now is 174.0 secs Computing kpt #: 94 total cpu time spent up to now is 175.6 secs Computing kpt #: 95 total cpu time spent up to now is 177.2 secs Computing kpt #: 96 total cpu time spent up to now is 178.8 secs Computing kpt #: 97 total cpu time spent up to now is 180.4 secs Computing kpt #: 98 total cpu time spent up to now is 182.0 secs Computing kpt #: 99 total cpu time spent up to now is 183.9 secs Computing kpt #: 100 total cpu time spent up to now is 185.8 secs Computing kpt #: 101 total cpu time spent up to now is 187.7 secs Computing kpt #: 102 total cpu time spent up to now is 189.6 secs Computing kpt #: 103 total cpu time spent up to now is 191.3 secs Computing kpt #: 104 total cpu time spent up to now is 193.1 secs Computing kpt #: 105 total cpu time spent up to now is 195.0 secs Computing kpt #: 106 total cpu time spent up to now is 197.0 secs Computing kpt #: 107 total cpu time spent up to now is 199.0 secs Computing kpt #: 108 total cpu time spent up to now is 200.7 secs Computing kpt #: 109 total cpu time spent up to now is 202.4 secs Computing kpt #: 110 total cpu time spent up to now is 204.3 secs Computing kpt #: 111 total cpu time spent up to now is 206.2 secs Computing kpt #: 112 total cpu time spent up to now is 208.0 secs Computing kpt #: 113 total cpu time spent up to now is 209.9 secs Computing kpt #: 114 total cpu time spent up to now is 211.9 secs Computing kpt #: 115 total cpu time spent up to now is 213.9 secs Computing kpt #: 116 total cpu time spent up to now is 215.8 secs Computing kpt #: 117 total cpu time spent up to now is 217.7 secs Computing kpt #: 118 total cpu time spent up to now is 219.6 secs Computing kpt #: 119 total cpu time spent up to now is 221.6 secs Computing kpt #: 120 total cpu time spent up to now is 223.6 secs Computing kpt #: 121 total cpu time spent up to now is 225.5 secs Computing kpt #: 122 total cpu time spent up to now is 227.6 secs Computing kpt #: 123 total cpu time spent up to now is 229.7 secs Computing kpt #: 124 total cpu time spent up to now is 231.7 secs Computing kpt #: 125 total cpu time spent up to now is 233.6 secs Computing kpt #: 126 total cpu time spent up to now is 235.6 secs Computing kpt #: 127 total cpu time spent up to now is 237.6 secs Computing kpt #: 128 total cpu time spent up to now is 239.5 secs Computing kpt #: 129 total cpu time spent up to now is 241.4 secs Computing kpt #: 130 total cpu time spent up to now is 243.3 secs Computing kpt #: 131 total cpu time spent up to now is 245.3 secs Computing kpt #: 132 total cpu time spent up to now is 247.2 secs Computing kpt #: 133 total cpu time spent up to now is 249.1 secs Computing kpt #: 134 total cpu time spent up to now is 251.0 secs Computing kpt #: 135 total cpu time spent up to now is 252.8 secs Computing kpt #: 136 total cpu time spent up to now is 254.7 secs Computing kpt #: 137 total cpu time spent up to now is 256.6 secs Computing kpt #: 138 total cpu time spent up to now is 258.4 secs Computing kpt #: 139 total cpu time spent up to now is 260.2 secs Computing kpt #: 140 total cpu time spent up to now is 261.6 secs Computing kpt #: 141 total cpu time spent up to now is 263.2 secs Computing kpt #: 142 total cpu time spent up to now is 264.6 secs Computing kpt #: 143 total cpu time spent up to now is 266.3 secs Computing kpt #: 144 total cpu time spent up to now is 267.7 secs Computing kpt #: 145 total cpu time spent up to now is 269.2 secs Computing kpt #: 146 total cpu time spent up to now is 270.6 secs Computing kpt #: 147 total cpu time spent up to now is 272.0 secs Computing kpt #: 148 total cpu time spent up to now is 273.6 secs Computing kpt #: 149 total cpu time spent up to now is 275.1 secs Computing kpt #: 150 total cpu time spent up to now is 277.2 secs Computing kpt #: 151 total cpu time spent up to now is 279.0 secs Computing kpt #: 152 total cpu time spent up to now is 281.0 secs Computing kpt #: 153 total cpu time spent up to now is 283.0 secs Computing kpt #: 154 total cpu time spent up to now is 285.0 secs Computing kpt #: 155 total cpu time spent up to now is 287.2 secs Computing kpt #: 156 total cpu time spent up to now is 289.0 secs Computing kpt #: 157 total cpu time spent up to now is 290.9 secs Computing kpt #: 158 total cpu time spent up to now is 292.8 secs Computing kpt #: 159 total cpu time spent up to now is 296.2 secs Computing kpt #: 160 total cpu time spent up to now is 298.1 secs Computing kpt #: 161 total cpu time spent up to now is 299.9 secs Computing kpt #: 162 total cpu time spent up to now is 301.6 secs Computing kpt #: 163 total cpu time spent up to now is 303.2 secs Computing kpt #: 164 total cpu time spent up to now is 304.6 secs Computing kpt #: 165 total cpu time spent up to now is 305.9 secs Computing kpt #: 166 total cpu time spent up to now is 307.3 secs Computing kpt #: 167 total cpu time spent up to now is 308.7 secs Computing kpt #: 168 total cpu time spent up to now is 310.1 secs Computing kpt #: 169 total cpu time spent up to now is 311.6 secs Computing kpt #: 170 total cpu time spent up to now is 313.1 secs Computing kpt #: 171 total cpu time spent up to now is 315.0 secs Computing kpt #: 172 total cpu time spent up to now is 317.0 secs Computing kpt #: 173 total cpu time spent up to now is 319.0 secs Computing kpt #: 174 total cpu time spent up to now is 320.9 secs Computing kpt #: 175 total cpu time spent up to now is 322.9 secs Computing kpt #: 176 total cpu time spent up to now is 324.8 secs Computing kpt #: 177 total cpu time spent up to now is 326.8 secs Computing kpt #: 178 total cpu time spent up to now is 328.5 secs Computing kpt #: 179 total cpu time spent up to now is 330.3 secs Computing kpt #: 180 total cpu time spent up to now is 331.9 secs Computing kpt #: 181 total cpu time spent up to now is 333.6 secs Computing kpt #: 182 total cpu time spent up to now is 335.4 secs Computing kpt #: 183 total cpu time spent up to now is 336.9 secs Computing kpt #: 184 total cpu time spent up to now is 338.5 secs Computing kpt #: 185 total cpu time spent up to now is 339.9 secs Computing kpt #: 186 total cpu time spent up to now is 341.4 secs Computing kpt #: 187 total cpu time spent up to now is 342.9 secs Computing kpt #: 188 total cpu time spent up to now is 344.3 secs Computing kpt #: 189 total cpu time spent up to now is 345.8 secs Computing kpt #: 190 total cpu time spent up to now is 347.4 secs Computing kpt #: 191 total cpu time spent up to now is 349.3 secs Computing kpt #: 192 total cpu time spent up to now is 351.2 secs Computing kpt #: 193 total cpu time spent up to now is 353.3 secs Computing kpt #: 194 total cpu time spent up to now is 355.4 secs Computing kpt #: 195 total cpu time spent up to now is 357.3 secs Computing kpt #: 196 total cpu time spent up to now is 359.4 secs Computing kpt #: 197 total cpu time spent up to now is 361.0 secs Computing kpt #: 198 total cpu time spent up to now is 362.8 secs Computing kpt #: 199 total cpu time spent up to now is 364.6 secs Computing kpt #: 200 total cpu time spent up to now is 366.5 secs Computing kpt #: 201 total cpu time spent up to now is 368.4 secs Computing kpt #: 202 total cpu time spent up to now is 370.4 secs Computing kpt #: 203 total cpu time spent up to now is 372.5 secs Computing kpt #: 204 total cpu time spent up to now is 375.1 secs Computing kpt #: 205 total cpu time spent up to now is 377.5 secs Computing kpt #: 206 total cpu time spent up to now is 379.3 secs Computing kpt #: 207 total cpu time spent up to now is 381.2 secs Computing kpt #: 208 total cpu time spent up to now is 382.7 secs Computing kpt #: 209 total cpu time spent up to now is 384.3 secs Computing kpt #: 210 total cpu time spent up to now is 385.8 secs Computing kpt #: 211 total cpu time spent up to now is 387.4 secs Computing kpt #: 212 total cpu time spent up to now is 389.0 secs Computing kpt #: 213 total cpu time spent up to now is 390.7 secs Computing kpt #: 214 total cpu time spent up to now is 392.6 secs Computing kpt #: 215 total cpu time spent up to now is 394.1 secs Computing kpt #: 216 total cpu time spent up to now is 395.7 secs Computing kpt #: 217 total cpu time spent up to now is 397.4 secs Computing kpt #: 218 total cpu time spent up to now is 399.0 secs Computing kpt #: 219 total cpu time spent up to now is 400.8 secs Computing kpt #: 220 total cpu time spent up to now is 402.7 secs Computing kpt #: 221 total cpu time spent up to now is 404.7 secs Computing kpt #: 222 total cpu time spent up to now is 406.6 secs Computing kpt #: 223 total cpu time spent up to now is 408.8 secs Computing kpt #: 224 total cpu time spent up to now is 410.8 secs Computing kpt #: 225 total cpu time spent up to now is 412.8 secs Computing kpt #: 226 total cpu time spent up to now is 414.8 secs Computing kpt #: 227 total cpu time spent up to now is 416.9 secs Computing kpt #: 228 total cpu time spent up to now is 419.0 secs Computing kpt #: 229 total cpu time spent up to now is 421.2 secs Computing kpt #: 230 total cpu time spent up to now is 423.5 secs Computing kpt #: 231 total cpu time spent up to now is 425.5 secs Computing kpt #: 232 total cpu time spent up to now is 427.3 secs Computing kpt #: 233 total cpu time spent up to now is 429.3 secs Computing kpt #: 234 total cpu time spent up to now is 431.2 secs Computing kpt #: 235 total cpu time spent up to now is 433.3 secs Computing kpt #: 236 total cpu time spent up to now is 435.2 secs Computing kpt #: 237 total cpu time spent up to now is 437.2 secs Computing kpt #: 238 total cpu time spent up to now is 439.0 secs Computing kpt #: 239 total cpu time spent up to now is 440.9 secs Computing kpt #: 240 total cpu time spent up to now is 442.7 secs Computing kpt #: 241 total cpu time spent up to now is 444.4 secs Computing kpt #: 242 total cpu time spent up to now is 446.4 secs Computing kpt #: 243 total cpu time spent up to now is 448.2 secs Computing kpt #: 244 total cpu time spent up to now is 449.9 secs Computing kpt #: 245 total cpu time spent up to now is 451.5 secs Computing kpt #: 246 total cpu time spent up to now is 453.1 secs Computing kpt #: 247 total cpu time spent up to now is 454.7 secs Computing kpt #: 248 total cpu time spent up to now is 456.3 secs Computing kpt #: 249 total cpu time spent up to now is 458.0 secs Computing kpt #: 250 total cpu time spent up to now is 459.5 secs Computing kpt #: 251 total cpu time spent up to now is 461.0 secs Computing kpt #: 252 total cpu time spent up to now is 462.6 secs Computing kpt #: 253 total cpu time spent up to now is 464.1 secs Computing kpt #: 254 total cpu time spent up to now is 465.7 secs Computing kpt #: 255 total cpu time spent up to now is 467.3 secs Computing kpt #: 256 total cpu time spent up to now is 468.8 secs Computing kpt #: 257 total cpu time spent up to now is 470.7 secs Computing kpt #: 258 total cpu time spent up to now is 472.6 secs Computing kpt #: 259 total cpu time spent up to now is 474.5 secs Computing kpt #: 260 total cpu time spent up to now is 476.3 secs Computing kpt #: 261 total cpu time spent up to now is 477.9 secs Computing kpt #: 262 total cpu time spent up to now is 479.7 secs Computing kpt #: 263 total cpu time spent up to now is 481.3 secs Computing kpt #: 264 total cpu time spent up to now is 482.9 secs Computing kpt #: 265 total cpu time spent up to now is 484.5 secs Computing kpt #: 266 total cpu time spent up to now is 486.2 secs Computing kpt #: 267 total cpu time spent up to now is 487.9 secs Computing kpt #: 268 total cpu time spent up to now is 489.4 secs Computing kpt #: 269 total cpu time spent up to now is 490.8 secs Computing kpt #: 270 total cpu time spent up to now is 492.3 secs Computing kpt #: 271 total cpu time spent up to now is 493.7 secs Computing kpt #: 272 total cpu time spent up to now is 495.3 secs Computing kpt #: 273 total cpu time spent up to now is 496.9 secs Computing kpt #: 274 total cpu time spent up to now is 498.5 secs Computing kpt #: 275 total cpu time spent up to now is 500.0 secs Computing kpt #: 276 total cpu time spent up to now is 501.5 secs Computing kpt #: 277 total cpu time spent up to now is 503.0 secs Computing kpt #: 278 total cpu time spent up to now is 504.5 secs Computing kpt #: 279 total cpu time spent up to now is 506.0 secs Computing kpt #: 280 total cpu time spent up to now is 507.6 secs Computing kpt #: 281 total cpu time spent up to now is 509.4 secs Computing kpt #: 282 total cpu time spent up to now is 511.2 secs Computing kpt #: 283 total cpu time spent up to now is 513.2 secs Computing kpt #: 284 total cpu time spent up to now is 515.5 secs Computing kpt #: 285 total cpu time spent up to now is 517.6 secs Computing kpt #: 286 total cpu time spent up to now is 519.7 secs Computing kpt #: 287 total cpu time spent up to now is 521.8 secs Computing kpt #: 288 total cpu time spent up to now is 523.7 secs Computing kpt #: 289 total cpu time spent up to now is 525.7 secs Computing kpt #: 290 total cpu time spent up to now is 527.6 secs Computing kpt #: 291 total cpu time spent up to now is 529.5 secs Computing kpt #: 292 total cpu time spent up to now is 531.4 secs Computing kpt #: 293 total cpu time spent up to now is 533.2 secs Computing kpt #: 294 total cpu time spent up to now is 534.9 secs Computing kpt #: 295 total cpu time spent up to now is 536.5 secs Computing kpt #: 296 total cpu time spent up to now is 538.1 secs ethr = 2.78E-08, avg # of iterations = 23.9 total cpu time spent up to now is 538.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17023 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1985 -10.1985 -9.2890 -9.2890 -9.1654 -9.1654 -9.1155 -9.1155 -1.9665 -1.9665 -1.6042 -1.6042 -1.1558 -1.1558 -0.3402 -0.3402 -0.0890 -0.0890 0.0373 0.0373 0.4186 0.4186 0.4812 0.4812 1.1828 1.1828 1.6351 1.6351 2.2784 2.2784 2.4663 2.4663 6.2179 6.2179 6.8494 6.8494 6.8899 6.8899 7.9943 7.9943 k =-0.0094 0.0125 0.0157 ( 17029 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1981 -10.1981 -9.2890 -9.2890 -9.1658 -9.1658 -9.1156 -9.1156 -1.9660 -1.9660 -1.6039 -1.6039 -1.1567 -1.1567 -0.3399 -0.3399 -0.0904 -0.0904 0.0381 0.0381 0.4087 0.4087 0.4938 0.4938 1.1812 1.1812 1.6364 1.6364 2.2765 2.2765 2.4636 2.4636 6.2208 6.2208 6.8523 6.8523 6.8949 6.8949 7.9954 7.9954 k =-0.0189 0.0250 0.0314 ( 17041 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1967 -10.1967 -9.2893 -9.2893 -9.1669 -9.1669 -9.1160 -9.1160 -1.9644 -1.9644 -1.6030 -1.6030 -1.1596 -1.1596 -0.3388 -0.3388 -0.0946 -0.0946 0.0405 0.0405 0.3898 0.3898 0.5209 0.5209 1.1765 1.1765 1.6403 1.6403 2.2708 2.2708 2.4556 2.4556 6.2295 6.2295 6.8611 6.8611 6.9098 6.9098 7.9988 7.9988 k =-0.0283 0.0376 0.0471 ( 17065 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1945 -10.1945 -9.2898 -9.2898 -9.1689 -9.1689 -9.1166 -9.1166 -1.9618 -1.9618 -1.6016 -1.6016 -1.1642 -1.1642 -0.3370 -0.3370 -0.1009 -0.1009 0.0437 0.0437 0.3705 0.3705 0.5538 0.5538 1.1687 1.1687 1.6467 1.6467 2.2613 2.2613 2.4428 2.4428 6.2440 6.2440 6.8758 6.8758 6.9341 6.9341 8.0045 8.0045 k =-0.0377 0.0501 0.0628 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1914 -10.1914 -9.2904 -9.2904 -9.1716 -9.1716 -9.1176 -9.1176 -1.9581 -1.9581 -1.5996 -1.5996 -1.1706 -1.1706 -0.3344 -0.3344 -0.1087 -0.1087 0.0470 0.0470 0.3530 0.3530 0.5903 0.5903 1.1579 1.1579 1.6555 1.6555 2.2476 2.2476 2.4255 2.4255 6.2641 6.2641 6.8961 6.8961 6.9676 6.9676 8.0123 8.0123 k =-0.0472 0.0626 0.0785 ( 17079 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1874 -10.1874 -9.2913 -9.2913 -9.1750 -9.1750 -9.1187 -9.1187 -1.9534 -1.9534 -1.5972 -1.5972 -1.1786 -1.1786 -0.3309 -0.3309 -0.1173 -0.1173 0.0496 0.0496 0.3380 0.3380 0.6294 0.6294 1.1444 1.1444 1.6666 1.6666 2.2296 2.2296 2.4046 2.4046 6.2899 6.2899 6.9219 6.9219 7.0094 7.0094 8.0223 8.0223 k =-0.0566 0.0751 0.0942 ( 17091 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1826 -10.1826 -9.2923 -9.2923 -9.1791 -9.1791 -9.1202 -9.1202 -1.9477 -1.9477 -1.5943 -1.5943 -1.1879 -1.1879 -0.3266 -0.3266 -0.1262 -0.1262 0.0509 0.0509 0.3259 0.3259 0.6708 0.6708 1.1283 1.1283 1.6799 1.6799 2.2071 2.2071 2.3809 2.3809 6.3212 6.3212 6.9528 6.9528 7.0588 7.0588 8.0343 8.0343 k =-0.0661 0.0877 0.1099 ( 17107 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1769 -10.1769 -9.2935 -9.2935 -9.1840 -9.1840 -9.1219 -9.1219 -1.9409 -1.9409 -1.5910 -1.5910 -1.1984 -1.1984 -0.3213 -0.3213 -0.1348 -0.1348 0.0504 0.0504 0.3168 0.3168 0.7141 0.7141 1.1098 1.1098 1.6952 1.6952 2.1797 2.1797 2.3551 2.3551 6.3579 6.3579 6.9886 6.9886 7.1146 7.1146 8.0483 8.0483 k =-0.0755 0.1002 0.1257 ( 17129 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1705 -10.1705 -9.2948 -9.2948 -9.1894 -9.1894 -9.1238 -9.1238 -1.9332 -1.9332 -1.5874 -1.5874 -1.2097 -1.2097 -0.3151 -0.3151 -0.1429 -0.1429 0.0478 0.0478 0.3107 0.3107 0.7585 0.7585 1.0892 1.0892 1.7123 1.7123 2.1476 2.1476 2.3282 2.3282 6.3998 6.3998 7.0285 7.0285 7.1756 7.1756 8.0641 8.0641 k =-0.0849 0.1127 0.1414 ( 17127 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1633 -10.1633 -9.2963 -9.2963 -9.1954 -9.1954 -9.1261 -9.1261 -1.9244 -1.9244 -1.5835 -1.5835 -1.2218 -1.2218 -0.3079 -0.3079 -0.1501 -0.1501 0.0432 0.0432 0.3075 0.3075 0.8035 0.8035 1.0673 1.0673 1.7309 1.7309 2.1109 2.1109 2.3005 2.3005 6.4467 6.4467 7.0721 7.0721 7.2402 7.2402 8.0815 8.0815 k =-0.0944 0.1252 0.1571 ( 17107 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1554 -10.1554 -9.2980 -9.2980 -9.2019 -9.2019 -9.1285 -9.1285 -1.9148 -1.9148 -1.5795 -1.5795 -1.2343 -1.2343 -0.2998 -0.2998 -0.1562 -0.1562 0.0367 0.0367 0.3067 0.3067 0.8473 0.8473 1.0455 1.0455 1.7509 1.7509 2.0703 2.0703 2.2724 2.2724 6.4985 6.4985 7.1185 7.1185 7.3063 7.3063 8.1001 8.1001 k =-0.1038 0.1378 0.1728 ( 17091 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1469 -10.1469 -9.2999 -9.2999 -9.2089 -9.2089 -9.1312 -9.1312 -1.9042 -1.9042 -1.5755 -1.5755 -1.2470 -1.2470 -0.2909 -0.2909 -0.1610 -0.1610 0.0288 0.0288 0.3080 0.3080 0.8858 0.8858 1.0276 1.0276 1.7718 1.7718 2.0264 2.0264 2.2441 2.2441 6.5548 6.5548 7.1667 7.1667 7.3714 7.3714 8.1171 8.1171 k =-0.1132 0.1503 0.1885 ( 17089 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1377 -10.1377 -9.3019 -9.3019 -9.2163 -9.2163 -9.1342 -9.1342 -1.8927 -1.8927 -1.5715 -1.5715 -1.2596 -1.2596 -0.2812 -0.2812 -0.1643 -0.1643 0.0201 0.0201 0.3111 0.3111 0.9078 0.9078 1.0248 1.0248 1.7931 1.7931 1.9802 1.9802 2.2157 2.2157 6.6154 6.6154 7.2151 7.2151 7.4324 7.4324 8.1121 8.1121 k =-0.1227 0.1628 0.2042 ( 17113 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1280 -10.1280 -9.3041 -9.3041 -9.2240 -9.2240 -9.1374 -9.1374 -1.8804 -1.8804 -1.5676 -1.5676 -1.2720 -1.2720 -0.2708 -0.2708 -0.1661 -0.1661 0.0109 0.0109 0.3155 0.3155 0.9017 0.9017 1.0483 1.0483 1.8135 1.8135 1.9334 1.9334 2.1873 2.1873 6.6799 6.6799 7.2620 7.2620 7.4859 7.4859 8.0823 8.0823 k =-0.1321 0.1753 0.2199 ( 17117 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1178 -10.1178 -9.3064 -9.3064 -9.2320 -9.2320 -9.1408 -9.1408 -1.8672 -1.8672 -1.5641 -1.5641 -1.2839 -1.2839 -0.2600 -0.2600 -0.1662 -0.1662 0.0019 0.0019 0.3211 0.3211 0.8772 0.8772 1.0883 1.0883 1.8281 1.8281 1.8910 1.8910 2.1593 2.1593 6.7478 6.7478 7.3049 7.3049 7.5288 7.5288 8.0559 8.0559 k =-0.1416 0.1878 0.2356 ( 17105 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1072 -10.1072 -9.3089 -9.3089 -9.2401 -9.2401 -9.1445 -9.1445 -1.8534 -1.8534 -1.5609 -1.5609 -1.2952 -1.2952 -0.2489 -0.2489 -0.1645 -0.1645 -0.0064 -0.0064 0.3276 0.3276 0.8448 0.8448 1.1340 1.1340 1.8133 1.8133 1.8764 1.8764 2.1322 2.1322 6.8187 6.8187 7.3411 7.3411 7.5587 7.5587 8.0371 8.0371 k =-0.1510 0.2004 0.2513 ( 17113 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0963 -10.0963 -9.3115 -9.3115 -9.2483 -9.2483 -9.1484 -9.1484 -1.8389 -1.8389 -1.5583 -1.5583 -1.3056 -1.3056 -0.2377 -0.2377 -0.1610 -0.1610 -0.0135 -0.0135 0.3348 0.3348 0.8083 0.8083 1.1813 1.1813 1.7705 1.7705 1.8876 1.8876 2.1072 2.1072 6.8919 6.8919 7.3676 7.3676 7.5747 7.5747 8.0299 8.0299 k =-0.1604 0.2129 0.2670 ( 17112 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0851 -10.0851 -9.3142 -9.3142 -9.2565 -9.2565 -9.1525 -9.1525 -1.8237 -1.8237 -1.5563 -1.5563 -1.3150 -1.3150 -0.2266 -0.2266 -0.1558 -0.1558 -0.0189 -0.0189 0.3428 0.3428 0.7693 0.7693 1.2282 1.2282 1.7235 1.7235 1.8995 1.8995 2.0861 2.0861 6.9666 6.9666 7.3826 7.3826 7.5772 7.5772 8.0371 8.0371 k =-0.1699 0.2254 0.2827 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0738 -10.0738 -9.3170 -9.3170 -9.2645 -9.2645 -9.1568 -9.1568 -1.8081 -1.8081 -1.5551 -1.5551 -1.3232 -1.3232 -0.2159 -0.2159 -0.1489 -0.1489 -0.0221 -0.0221 0.3514 0.3514 0.7286 0.7286 1.2733 1.2733 1.6774 1.6774 1.9047 1.9047 2.0719 2.0719 7.0414 7.0414 7.3862 7.3862 7.5673 7.5673 8.0599 8.0599 k =-0.1793 0.2379 0.2984 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0624 -10.0624 -9.3199 -9.3199 -9.2723 -9.2723 -9.1613 -9.1613 -1.7921 -1.7921 -1.5549 -1.5549 -1.3301 -1.3301 -0.2056 -0.2056 -0.1405 -0.1405 -0.0227 -0.0227 0.3605 0.3605 0.6868 0.6868 1.3148 1.3148 1.6347 1.6347 1.8999 1.8999 2.0672 2.0672 7.1136 7.1136 7.3812 7.3812 7.5475 7.5475 8.0968 8.0968 k =-0.1887 0.2505 0.3141 ( 17110 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0511 -10.0511 -9.3230 -9.3230 -9.2797 -9.2797 -9.1660 -9.1660 -1.7758 -1.7758 -1.5556 -1.5556 -1.3355 -1.3355 -0.1957 -0.1957 -0.1308 -0.1308 -0.0206 -0.0206 0.3701 0.3701 0.6444 0.6444 1.3493 1.3493 1.5985 1.5985 1.8849 1.8849 2.0715 2.0715 7.1762 7.1762 7.3753 7.3753 7.5205 7.5205 8.1388 8.1388 k =-0.1982 0.2630 0.3298 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0399 -10.0399 -9.3261 -9.3261 -9.2867 -9.2867 -9.1709 -9.1709 -1.7594 -1.7594 -1.5575 -1.5575 -1.3394 -1.3394 -0.1861 -0.1861 -0.1200 -0.1200 -0.0155 -0.0155 0.3800 0.3800 0.6021 0.6021 1.3711 1.3711 1.5747 1.5747 1.8627 1.8627 2.0819 2.0819 7.2131 7.2131 7.3847 7.3847 7.4902 7.4902 8.1223 8.1223 k =-0.2076 0.2755 0.3456 ( 17104 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0290 -10.0290 -9.3293 -9.3293 -9.2931 -9.2931 -9.1759 -9.1759 -1.7429 -1.7429 -1.5607 -1.5607 -1.3416 -1.3416 -0.1766 -0.1766 -0.1082 -0.1082 -0.0077 -0.0077 0.3898 0.3898 0.5610 0.5610 1.3729 1.3729 1.5704 1.5704 1.8362 1.8362 2.0951 2.0951 7.2108 7.2108 7.4087 7.4087 7.4735 7.4735 8.1027 8.1027 k =-0.2171 0.2880 0.3613 ( 17114 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0185 -10.0185 -9.3326 -9.3326 -9.2988 -9.2988 -9.1811 -9.1811 -1.7267 -1.7267 -1.5651 -1.5651 -1.3419 -1.3419 -0.1672 -0.1672 -0.0954 -0.0954 0.0026 0.0026 0.3982 0.3982 0.5226 0.5226 1.3549 1.3549 1.5850 1.5850 1.8075 1.8075 2.1090 2.1090 7.1825 7.1825 7.3900 7.3900 7.5164 7.5164 8.0824 8.0824 k =-0.2265 0.3006 0.3770 ( 17106 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0084 -10.0084 -9.3359 -9.3359 -9.3037 -9.3037 -9.1864 -9.1864 -1.7108 -1.7108 -1.5707 -1.5707 -1.3405 -1.3405 -0.1575 -0.1575 -0.0816 -0.0816 0.0148 0.0148 0.4014 0.4014 0.4913 0.4913 1.3252 1.3252 1.6104 1.6104 1.7779 1.7779 2.1225 2.1225 7.1423 7.1423 7.3496 7.3496 7.5851 7.5851 8.0614 8.0614 k =-0.2359 0.3131 0.3927 ( 17114 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9991 -9.9991 -9.3392 -9.3392 -9.3077 -9.3077 -9.1918 -9.1918 -1.6956 -1.6956 -1.5775 -1.5775 -1.3371 -1.3371 -0.1473 -0.1473 -0.0669 -0.0669 0.0285 0.0285 0.3918 0.3918 0.4755 0.4755 1.2903 1.2903 1.6392 1.6392 1.7487 1.7487 2.1346 2.1346 7.0959 7.0959 7.3042 7.3042 7.6577 7.6577 8.0394 8.0394 k =-0.2454 0.3256 0.4084 ( 17122 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9904 -9.9904 -9.3426 -9.3426 -9.3106 -9.3106 -9.1973 -9.1973 -1.6814 -1.6814 -1.5853 -1.5853 -1.3318 -1.3318 -0.1366 -0.1366 -0.0514 -0.0514 0.0431 0.0431 0.3679 0.3679 0.4772 0.4772 1.2534 1.2534 1.6662 1.6662 1.7223 1.7223 2.1450 2.1450 7.0460 7.0460 7.2563 7.2563 7.7291 7.7291 8.0167 8.0167 k =-0.2548 0.3381 0.4241 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9825 -9.9825 -9.3460 -9.3460 -9.3125 -9.3125 -9.2029 -9.2029 -1.6688 -1.6688 -1.5936 -1.5936 -1.3246 -1.3246 -0.1251 -0.1251 -0.0351 -0.0351 0.0581 0.0581 0.3386 0.3386 0.4881 0.4881 1.2161 1.2161 1.6735 1.6735 1.7152 1.7152 2.1532 2.1532 6.9938 6.9938 7.2070 7.2070 7.7955 7.7955 7.9942 7.9942 k =-0.2642 0.3506 0.4398 ( 17106 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9756 -9.9756 -9.3495 -9.3495 -9.3133 -9.3133 -9.2085 -9.2085 -1.6588 -1.6588 -1.6014 -1.6014 -1.3155 -1.3155 -0.1129 -0.1129 -0.0184 -0.0184 0.0732 0.0732 0.3099 0.3099 0.5030 0.5030 1.1790 1.1790 1.6521 1.6521 1.7360 1.7360 2.1592 2.1592 6.9402 6.9402 7.1567 7.1567 7.8502 7.8502 7.9765 7.9765 k =-0.2737 0.3632 0.4555 ( 17108 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9696 -9.9696 -9.3529 -9.3529 -9.3128 -9.3128 -9.2142 -9.2142 -1.6534 -1.6534 -1.6069 -1.6069 -1.3047 -1.3047 -0.1001 -0.1001 -0.0016 -0.0016 0.0877 0.0877 0.2845 0.2845 0.5201 0.5201 1.1424 1.1424 1.6262 1.6262 1.7602 1.7602 2.1626 2.1626 6.8857 6.8857 7.1060 7.1060 7.8753 7.8753 7.9789 7.9789 k =-0.2831 0.3757 0.4712 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9645 -9.9645 -9.3563 -9.3563 -9.3112 -9.3112 -9.2199 -9.2199 -1.6549 -1.6549 -1.6078 -1.6078 -1.2920 -1.2920 -0.0869 -0.0869 0.0149 0.0149 0.1014 0.1014 0.2641 0.2641 0.5387 0.5387 1.1065 1.1065 1.6006 1.6006 1.7830 1.7830 2.1636 2.1636 6.8308 6.8308 7.0554 7.0554 7.8621 7.8621 8.0074 8.0074 k =-0.2926 0.3882 0.4869 ( 17104 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9605 -9.9605 -9.3596 -9.3596 -9.3084 -9.3084 -9.2256 -9.2256 -1.6627 -1.6627 -1.6048 -1.6048 -1.2777 -1.2777 -0.0738 -0.0738 0.0306 0.0306 0.1141 0.1141 0.2497 0.2497 0.5586 0.5586 1.0714 1.0714 1.5762 1.5762 1.8034 1.8034 2.1621 2.1621 6.7759 6.7759 7.0054 7.0054 7.8317 7.8317 8.0377 8.0377 k =-0.3020 0.4007 0.5026 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9575 -9.9575 -9.3629 -9.3629 -9.3045 -9.3045 -9.2312 -9.2312 -1.6741 -1.6741 -1.6006 -1.6006 -1.2619 -1.2619 -0.0611 -0.0611 0.0450 0.0450 0.1261 0.1261 0.2421 0.2421 0.5793 0.5793 1.0371 1.0371 1.5534 1.5534 1.8213 1.8213 2.1581 2.1581 6.7211 6.7211 6.9564 6.9564 7.7942 7.7942 8.0562 8.0562 k =-0.3114 0.4133 0.5183 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9554 -9.9554 -9.3661 -9.3661 -9.2995 -9.2995 -9.2368 -9.2368 -1.6872 -1.6872 -1.5969 -1.5969 -1.2445 -1.2445 -0.0494 -0.0494 0.0580 0.0580 0.1380 0.1380 0.2410 0.2410 0.6009 0.6009 1.0036 1.0036 1.5323 1.5323 1.8366 1.8366 2.1517 2.1517 6.6668 6.6668 6.9088 6.9088 7.7526 7.7526 8.0578 8.0578 k =-0.3209 0.4258 0.5340 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9542 -9.9542 -9.3693 -9.3693 -9.2935 -9.2935 -9.2423 -9.2423 -1.7012 -1.7012 -1.5946 -1.5946 -1.2257 -1.2257 -0.0392 -0.0392 0.0701 0.0701 0.1504 0.1504 0.2455 0.2455 0.6232 0.6232 0.9709 0.9709 1.5130 1.5130 1.8493 1.8493 2.1430 2.1430 6.6132 6.6132 6.8630 6.8630 7.7077 7.7077 8.0412 8.0413 k =-0.3209 0.4258 0.5340 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9542 -9.9542 -9.3693 -9.3693 -9.2935 -9.2935 -9.2423 -9.2423 -1.7012 -1.7012 -1.5946 -1.5946 -1.2257 -1.2257 -0.0392 -0.0392 0.0701 0.0701 0.1504 0.1504 0.2455 0.2455 0.6232 0.6232 0.9709 0.9709 1.5130 1.5130 1.8493 1.8493 2.1430 2.1430 6.6132 6.6132 6.8630 6.8630 7.7077 7.7077 8.0412 8.0412 k =-0.3115 0.4133 0.5497 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9537 -9.9537 -9.3695 -9.3695 -9.2934 -9.2934 -9.2429 -9.2429 -1.7024 -1.7024 -1.5956 -1.5956 -1.2237 -1.2237 -0.0515 -0.0515 0.0772 0.0772 0.1305 0.1305 0.2682 0.2682 0.6281 0.6281 0.9718 0.9718 1.5125 1.5125 1.8493 1.8493 2.1425 2.1425 6.6134 6.6134 6.8658 6.8658 7.7086 7.7086 8.0420 8.0420 k =-0.3020 0.4008 0.5653 ( 17083 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9521 -9.9521 -9.3700 -9.3700 -9.2930 -9.2930 -9.2445 -9.2445 -1.7059 -1.7059 -1.5986 -1.5986 -1.2176 -1.2176 -0.0811 -0.0811 0.0715 0.0715 0.1153 0.1153 0.3112 0.3112 0.6426 0.6426 0.9745 0.9745 1.5109 1.5109 1.8493 1.8493 2.1409 2.1409 6.6139 6.6139 6.8742 6.8742 7.7110 7.7110 8.0444 8.0444 k =-0.2926 0.3883 0.5809 ( 17083 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9496 -9.9496 -9.3709 -9.3709 -9.2924 -9.2924 -9.2471 -9.2471 -1.7115 -1.7115 -1.6035 -1.6035 -1.2080 -1.2080 -0.1189 -0.1189 0.0328 0.0328 0.1337 0.1337 0.3570 0.3570 0.6665 0.6665 0.9792 0.9792 1.5083 1.5083 1.8494 1.8494 2.1383 2.1383 6.6147 6.6147 6.8881 6.8881 7.7144 7.7144 8.0485 8.0485 k =-0.2832 0.3758 0.5965 ( 17097 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9460 -9.9460 -9.3723 -9.3723 -9.2915 -9.2915 -9.2506 -9.2506 -1.7190 -1.7190 -1.6101 -1.6101 -1.1952 -1.1952 -0.1613 -0.1613 -0.0085 -0.0085 0.1566 0.1566 0.4011 0.4011 0.6988 0.6988 0.9861 0.9861 1.5047 1.5047 1.8496 1.8496 2.1348 2.1348 6.6156 6.6156 6.9074 6.9074 7.7182 7.7182 8.0545 8.0545 k =-0.2738 0.3633 0.6121 ( 17093 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9413 -9.9413 -9.3743 -9.3743 -9.2904 -9.2904 -9.2549 -9.2549 -1.7280 -1.7280 -1.6183 -1.6183 -1.1800 -1.1800 -0.2066 -0.2066 -0.0467 -0.0467 0.1791 0.1791 0.4419 0.4419 0.7385 0.7385 0.9956 0.9956 1.5001 1.5001 1.8500 1.8500 2.1305 2.1305 6.6167 6.6167 6.9320 6.9320 7.7213 7.7213 8.0614 8.0614 k =-0.2644 0.3508 0.6277 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9357 -9.9357 -9.3770 -9.3770 -9.2890 -9.2890 -9.2598 -9.2598 -1.7382 -1.7382 -1.6280 -1.6280 -1.1631 -1.1631 -0.2538 -0.2538 -0.0804 -0.0804 0.2005 0.2005 0.4786 0.4786 0.7838 0.7838 1.0080 1.0080 1.4944 1.4944 1.8504 1.8504 2.1256 2.1256 6.6177 6.6177 6.9613 6.9613 7.7230 7.7230 8.0345 8.0345 k =-0.2550 0.3383 0.6434 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9291 -9.9291 -9.3806 -9.3806 -9.2874 -9.2874 -9.2651 -9.2651 -1.7493 -1.7493 -1.6390 -1.6390 -1.1451 -1.1451 -0.3020 -0.3020 -0.1091 -0.1091 0.2210 0.2210 0.5109 0.5109 0.8329 0.8329 1.0239 1.0239 1.4879 1.4879 1.8510 1.8510 2.1203 2.1203 6.6186 6.6186 6.9948 6.9948 7.7222 7.7222 7.9391 7.9391 k =-0.2455 0.3258 0.6590 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9215 -9.9215 -9.3854 -9.3854 -9.2856 -9.2856 -9.2704 -9.2704 -1.7611 -1.7611 -1.6513 -1.6513 -1.1266 -1.1266 -0.3504 -0.3504 -0.1324 -0.1324 0.2407 0.2407 0.5385 0.5385 0.8836 0.8836 1.0436 1.0436 1.4805 1.4805 1.8518 1.8518 2.1148 2.1148 6.6193 6.6193 7.0315 7.0315 7.7177 7.7177 7.8443 7.8443 k =-0.2361 0.3133 0.6746 ( 17083 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9130 -9.9130 -9.3916 -9.3916 -9.2836 -9.2836 -9.2755 -9.2755 -1.7733 -1.7733 -1.6647 -1.6647 -1.1082 -1.1082 -0.3984 -0.3984 -0.1502 -0.1502 0.2601 0.2601 0.5618 0.5618 0.9337 0.9337 1.0676 1.0676 1.4726 1.4726 1.8528 1.8528 2.1094 2.1094 6.6196 6.6196 7.0696 7.0696 7.7033 7.7033 7.7623 7.7623 k =-0.2267 0.3008 0.6902 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9035 -9.9035 -9.3993 -9.3993 -9.2817 -9.2817 -9.2800 -9.2800 -1.7857 -1.7857 -1.6791 -1.6791 -1.0904 -1.0904 -0.4454 -0.4454 -0.1625 -0.1625 0.2792 0.2792 0.5811 0.5811 0.9804 0.9804 1.0967 1.0967 1.4644 1.4644 1.8540 1.8540 2.1042 2.1042 6.6195 6.6195 7.1059 7.1059 7.6525 7.6525 7.7243 7.7243 k =-0.2173 0.2884 0.7058 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8932 -9.8932 -9.4088 -9.4088 -9.2845 -9.2845 -9.2789 -9.2789 -1.7982 -1.7982 -1.6945 -1.6945 -1.0735 -1.0735 -0.4912 -0.4912 -0.1692 -0.1692 0.2982 0.2982 0.5969 0.5969 1.0212 1.0212 1.1312 1.1312 1.4565 1.4565 1.8554 1.8554 2.0996 2.0996 6.6189 6.6189 7.1347 7.1347 7.5910 7.5910 7.7115 7.7115 k =-0.2079 0.2759 0.7215 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8819 -9.8819 -9.4201 -9.4201 -9.2877 -9.2877 -9.2763 -9.2763 -1.8106 -1.8106 -1.7107 -1.7107 -1.0577 -1.0577 -0.5354 -0.5354 -0.1704 -0.1704 0.3173 0.3173 0.6100 0.6100 1.0547 1.0547 1.1700 1.1700 1.4498 1.4498 1.8569 1.8569 2.0958 2.0958 6.6177 6.6177 7.1466 7.1466 7.5510 7.5510 7.7020 7.7020 k =-0.1985 0.2634 0.7371 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8698 -9.8698 -9.4331 -9.4331 -9.2903 -9.2903 -9.2736 -9.2736 -1.8228 -1.8228 -1.7275 -1.7275 -1.0431 -1.0431 -0.5777 -0.5777 -0.1666 -0.1666 0.3362 0.3362 0.6212 0.6212 1.0806 1.0806 1.2104 1.2104 1.4456 1.4456 1.8586 1.8586 2.0931 2.0931 6.6159 6.6159 7.1334 7.1334 7.5439 7.5439 7.6937 7.6937 k =-0.1891 0.2509 0.7527 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8569 -9.8569 -9.4477 -9.4477 -9.2921 -9.2921 -9.2707 -9.2707 -1.8347 -1.8347 -1.7449 -1.7449 -1.0297 -1.0297 -0.6181 -0.6181 -0.1582 -0.1582 0.3550 0.3550 0.6313 0.6313 1.0992 1.0992 1.2491 1.2491 1.4454 1.4454 1.8604 1.8604 2.0916 2.0916 6.6135 6.6135 7.0968 7.0968 7.5681 7.5681 7.6868 7.6868 k =-0.1796 0.2384 0.7683 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8433 -9.8433 -9.4638 -9.4638 -9.2932 -9.2932 -9.2677 -9.2677 -1.8462 -1.8462 -1.7627 -1.7627 -1.0173 -1.0173 -0.6564 -0.6564 -0.1457 -0.1457 0.3733 0.3733 0.6413 0.6413 1.1103 1.1103 1.2832 1.2832 1.4509 1.4509 1.8625 1.8625 2.0913 2.0913 6.6107 6.6107 7.0466 7.0466 7.6124 7.6124 7.6828 7.6828 k =-0.1702 0.2259 0.7839 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8289 -9.8289 -9.4812 -9.4812 -9.2938 -9.2938 -9.2645 -9.2645 -1.8573 -1.8573 -1.7806 -1.7806 -1.0057 -1.0057 -0.6925 -0.6925 -0.1299 -0.1299 0.3909 0.3909 0.6520 0.6520 1.1135 1.1135 1.3112 1.3112 1.4629 1.4629 1.8649 1.8649 2.0924 2.0924 6.6076 6.6076 6.9916 6.9916 7.6544 7.6544 7.6947 7.6947 k =-0.1608 0.2134 0.7996 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8138 -9.8138 -9.4998 -9.4998 -9.2939 -9.2939 -9.2613 -9.2613 -1.8679 -1.8679 -1.7987 -1.7987 -0.9946 -0.9946 -0.7263 -0.7263 -0.1116 -0.1116 0.4074 0.4074 0.6643 0.6643 1.1088 1.1088 1.3335 1.3335 1.4801 1.4801 1.8677 1.8677 2.0946 2.0946 6.6046 6.6046 6.9369 6.9369 7.6620 7.6620 7.7471 7.7471 k =-0.1514 0.2009 0.8152 ( 17095 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7980 -9.7980 -9.5193 -9.5193 -9.2936 -9.2936 -9.2579 -9.2579 -1.8778 -1.8778 -1.8166 -1.8166 -0.9837 -0.9837 -0.7577 -0.7577 -0.0915 -0.0915 0.4224 0.4224 0.6787 0.6787 1.0968 1.0968 1.3516 1.3516 1.4997 1.4997 1.8712 1.8712 2.0977 2.0977 6.6019 6.6019 6.8853 6.8853 7.6609 7.6609 7.8057 7.8057 k =-0.1420 0.1884 0.8308 ( 17077 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7817 -9.7817 -9.5396 -9.5396 -9.2931 -9.2931 -9.2545 -9.2545 -1.8871 -1.8871 -1.8343 -1.8343 -0.9728 -0.9728 -0.7868 -0.7868 -0.0705 -0.0705 0.4355 0.4355 0.6958 0.6958 1.0789 1.0789 1.3668 1.3668 1.5189 1.5189 1.8753 1.8753 2.1015 2.1015 6.6002 6.6002 6.8383 6.8383 7.6588 7.6588 7.8477 7.8477 k =-0.1420 0.1884 0.8308 ( 17077 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7817 -9.7817 -9.5396 -9.5396 -9.2931 -9.2931 -9.2545 -9.2545 -1.8871 -1.8871 -1.8343 -1.8343 -0.9728 -0.9728 -0.7868 -0.7868 -0.0705 -0.0705 0.4355 0.4355 0.6958 0.6958 1.0789 1.0789 1.3668 1.3668 1.5189 1.5189 1.8753 1.8753 2.1015 2.1015 6.6002 6.6002 6.8383 6.8383 7.6588 7.6588 7.8477 7.8477 k =-0.1291 0.1713 0.8308 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7707 -9.7707 -9.5510 -9.5510 -9.2898 -9.2898 -9.2566 -9.2566 -1.9037 -1.9037 -1.8514 -1.8514 -0.9691 -0.9691 -0.8084 -0.8084 -0.0444 -0.0444 0.4299 0.4299 0.7150 0.7150 1.0733 1.0733 1.3890 1.3890 1.5319 1.5319 1.8841 1.8841 2.1066 2.1066 6.6160 6.6160 6.8007 6.8007 7.6681 7.6681 7.8478 7.8478 k =-0.1162 0.1541 0.8308 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7597 -9.7597 -9.5623 -9.5623 -9.2868 -9.2868 -9.2585 -9.2585 -1.9191 -1.9191 -1.8683 -1.8683 -0.9659 -0.9659 -0.8281 -0.8281 -0.0161 -0.0161 0.4222 0.4222 0.7345 0.7345 1.0645 1.0645 1.4119 1.4119 1.5439 1.5439 1.8945 1.8945 2.1101 2.1101 6.6276 6.6276 6.7660 6.7660 7.6705 7.6705 7.8407 7.8407 k =-0.1033 0.1370 0.8308 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7487 -9.7487 -9.5736 -9.5736 -9.2840 -9.2840 -9.2602 -9.2602 -1.9329 -1.9329 -1.8847 -1.8847 -0.9632 -0.9632 -0.8461 -0.8461 0.0139 0.0139 0.4123 0.4123 0.7543 0.7543 1.0531 1.0531 1.4347 1.4347 1.5545 1.5545 1.9068 1.9068 2.1116 2.1116 6.6352 6.6352 6.7348 6.7348 7.6616 7.6616 7.8239 7.8239 k =-0.0903 0.1199 0.8308 ( 17052 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7377 -9.7377 -9.5849 -9.5849 -9.2815 -9.2815 -9.2617 -9.2617 -1.9451 -1.9451 -1.9005 -1.9005 -0.9607 -0.9607 -0.8624 -0.8624 0.0451 0.0451 0.4003 0.4003 0.7743 0.7743 1.0397 1.0397 1.4566 1.4566 1.5634 1.5634 1.9208 1.9208 2.1111 2.1111 6.6390 6.6390 6.7076 6.7076 7.6435 7.6435 7.7807 7.7807 k =-0.0774 0.1028 0.8308 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7268 -9.7268 -9.5960 -9.5960 -9.2792 -9.2792 -9.2630 -9.2630 -1.9553 -1.9553 -1.9152 -1.9152 -0.9582 -0.9582 -0.8770 -0.8770 0.0769 0.0769 0.3861 0.3861 0.7945 0.7945 1.0247 1.0247 1.4771 1.4771 1.5702 1.5702 1.9366 1.9366 2.1084 2.1084 6.6396 6.6396 6.6845 6.6845 7.6220 7.6220 7.7390 7.7390 k =-0.0645 0.0856 0.8308 ( 17060 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7159 -9.7159 -9.6071 -9.6071 -9.2771 -9.2771 -9.2642 -9.2642 -1.9635 -1.9635 -1.9288 -1.9288 -0.9556 -0.9556 -0.8900 -0.8900 0.1089 0.1089 0.3698 0.3698 0.8148 0.8148 1.0085 1.0085 1.4960 1.4960 1.5747 1.5747 1.9539 1.9539 2.1034 2.1034 6.6376 6.6376 6.6657 6.6657 7.6015 7.6015 7.7004 7.7004 k =-0.0516 0.0685 0.8308 ( 17066 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7051 -9.7051 -9.6182 -9.6182 -9.2753 -9.2753 -9.2654 -9.2654 -1.9696 -1.9696 -1.9409 -1.9409 -0.9527 -0.9527 -0.9016 -0.9016 0.1406 0.1406 0.3514 0.3514 0.8352 0.8352 0.9913 0.9913 1.5131 1.5131 1.5768 1.5768 1.9722 1.9722 2.0961 2.0961 6.6338 6.6338 6.6512 6.6512 7.5849 7.5849 7.6655 7.6655 k =-0.0387 0.0514 0.8308 ( 17069 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6943 -9.6943 -9.6292 -9.6292 -9.2736 -9.2736 -9.2664 -9.2664 -1.9735 -1.9735 -1.9515 -1.9515 -0.9493 -0.9493 -0.9118 -0.9118 0.1718 0.1718 0.3311 0.3311 0.8555 0.8555 0.9733 0.9733 1.5283 1.5283 1.5766 1.5766 1.9910 1.9910 2.0865 2.0865 6.6293 6.6293 6.6406 6.6406 7.5735 7.5735 7.6351 7.6351 k =-0.0258 0.0343 0.8308 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6835 -9.6835 -9.6401 -9.6401 -9.2722 -9.2722 -9.2675 -9.2675 -1.9751 -1.9751 -1.9602 -1.9602 -0.9453 -0.9453 -0.9206 -0.9206 0.2020 0.2020 0.3087 0.3087 0.8758 0.8758 0.9546 0.9546 1.5416 1.5416 1.5739 1.5739 2.0097 2.0097 2.0747 2.0747 6.6256 6.6256 6.6330 6.6330 7.5681 7.5681 7.6098 7.6098 k =-0.0129 0.0171 0.8308 ( 17091 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6727 -9.6727 -9.6510 -9.6510 -9.2708 -9.2708 -9.2685 -9.2685 -1.9746 -1.9746 -1.9671 -1.9671 -0.9406 -0.9406 -0.9283 -0.9283 0.2310 0.2310 0.2845 0.2845 0.8959 0.8959 0.9354 0.9354 1.5528 1.5528 1.5691 1.5691 2.0280 2.0280 2.0608 2.0608 6.6239 6.6239 6.6277 6.6277 7.5691 7.5691 7.5902 7.5902 k = 0.0000 0.0000 0.8308 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2696 -9.2696 -9.2696 -9.2696 -1.9719 -1.9719 -1.9719 -1.9719 -0.9350 -0.9350 -0.9350 -0.9350 0.2585 0.2585 0.2585 0.2585 0.9158 0.9158 0.9158 0.9158 1.5620 1.5620 1.5620 1.5620 2.0451 2.0451 2.0451 2.0451 6.6246 6.6246 6.6246 6.6246 7.5765 7.5765 7.5765 7.5765 k = 0.0000 0.0000 0.8308 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2696 -9.2696 -9.2696 -9.2696 -1.9719 -1.9719 -1.9719 -1.9719 -0.9350 -0.9350 -0.9350 -0.9350 0.2585 0.2585 0.2585 0.2585 0.9158 0.9158 0.9158 0.9158 1.5620 1.5620 1.5620 1.5620 2.0451 2.0451 2.0451 2.0451 6.6246 6.6246 6.6246 6.6246 7.5765 7.5765 7.5765 7.5765 k = 0.0179 0.0135 0.8308 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2696 -9.2696 -9.2696 -9.2696 -1.9714 -1.9714 -1.9714 -1.9714 -0.9367 -0.9367 -0.9366 -0.9366 0.2595 0.2595 0.2612 0.2612 0.9134 0.9134 0.9191 0.9191 1.5575 1.5575 1.5661 1.5661 2.0417 2.0417 2.0463 2.0463 6.6256 6.6256 6.6266 6.6266 7.5729 7.5729 7.5767 7.5767 k = 0.0357 0.0269 0.8308 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2697 -9.2697 -9.2697 -9.2697 -1.9699 -1.9699 -1.9699 -1.9699 -0.9417 -0.9417 -0.9415 -0.9415 0.2640 0.2640 0.2673 0.2673 0.9119 0.9119 0.9231 0.9231 1.5528 1.5528 1.5698 1.5698 2.0361 2.0361 2.0453 2.0453 6.6294 6.6294 6.6315 6.6315 7.5660 7.5660 7.5733 7.5733 k = 0.0536 0.0404 0.8308 ( 17064 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2697 -9.2697 -9.2697 -9.2697 -1.9675 -1.9675 -1.9675 -1.9675 -0.9496 -0.9496 -0.9494 -0.9494 0.2718 0.2718 0.2765 0.2765 0.9115 0.9115 0.9279 0.9279 1.5480 1.5480 1.5729 1.5729 2.0286 2.0286 2.0421 2.0421 6.6359 6.6359 6.6390 6.6390 7.5563 7.5563 7.5664 7.5664 k = 0.0714 0.0538 0.8308 ( 17054 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2697 -9.2697 -9.2697 -9.2697 -1.9643 -1.9643 -1.9643 -1.9643 -0.9601 -0.9601 -0.9598 -0.9598 0.2822 0.2822 0.2883 0.2883 0.9122 0.9122 0.9332 0.9332 1.5433 1.5433 1.5753 1.5753 2.0196 2.0196 2.0369 2.0369 6.6451 6.6451 6.6490 6.6490 7.5438 7.5438 7.5560 7.5560 k = 0.0893 0.0673 0.8308 ( 17046 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2697 -9.2697 -9.2697 -9.2697 -1.9604 -1.9604 -1.9604 -1.9604 -0.9725 -0.9725 -0.9722 -0.9722 0.2948 0.2948 0.3019 0.3019 0.9139 0.9139 0.9389 0.9389 1.5389 1.5389 1.5768 1.5768 2.0093 2.0093 2.0300 2.0300 6.6565 6.6565 6.6611 6.6611 7.5290 7.5290 7.5423 7.5423 k = 0.1071 0.0807 0.8308 ( 17044 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6618 -9.6618 -9.6618 -9.6618 -9.2697 -9.2697 -9.2697 -9.2697 -1.9560 -1.9560 -1.9560 -1.9560 -0.9862 -0.9862 -0.9859 -0.9859 0.3087 0.3087 0.3167 0.3167 0.9168 0.9168 0.9447 0.9447 1.5349 1.5349 1.5774 1.5774 1.9985 1.9985 2.0216 2.0216 6.6699 6.6699 6.6749 6.6749 7.5123 7.5123 7.5258 7.5258 k = 0.1250 0.0942 0.8308 ( 17056 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2698 -9.2698 -9.2698 -9.2698 -1.9513 -1.9513 -1.9512 -1.9512 -1.0004 -1.0004 -1.0001 -1.0001 0.3233 0.3233 0.3318 0.3318 0.9207 0.9207 0.9505 0.9505 1.5315 1.5315 1.5768 1.5768 1.9875 1.9875 2.0121 2.0121 6.6846 6.6846 6.6899 6.6899 7.4943 7.4943 7.5073 7.5073 k = 0.1429 0.1077 0.8308 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2698 -9.2698 -9.2698 -9.2698 -1.9464 -1.9464 -1.9464 -1.9464 -1.0145 -1.0145 -1.0143 -1.0143 0.3378 0.3378 0.3464 0.3464 0.9257 0.9257 0.9558 0.9558 1.5291 1.5291 1.5749 1.5749 1.9771 1.9771 2.0020 2.0020 6.7001 6.7001 6.7054 6.7054 7.4758 7.4758 7.4875 7.4875 k = 0.1607 0.1211 0.8308 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2698 -9.2698 -9.2698 -9.2698 -1.9417 -1.9417 -1.9417 -1.9417 -1.0278 -1.0278 -1.0276 -1.0276 0.3516 0.3516 0.3598 0.3598 0.9315 0.9315 0.9603 0.9603 1.5278 1.5278 1.5717 1.5717 1.9678 1.9678 1.9917 1.9917 6.7156 6.7156 6.7207 6.7207 7.4576 7.4576 7.4676 7.4676 k = 0.1786 0.1346 0.8308 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2698 -9.2698 -9.2698 -9.2698 -1.9374 -1.9374 -1.9374 -1.9374 -1.0397 -1.0397 -1.0394 -1.0394 0.3640 0.3640 0.3714 0.3714 0.9378 0.9378 0.9637 0.9637 1.5279 1.5279 1.5673 1.5673 1.9603 1.9603 1.9817 1.9817 6.7304 6.7304 6.7349 6.7349 7.4406 7.4406 7.4487 7.4487 k = 0.1964 0.1480 0.8308 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9338 -1.9338 -1.9338 -1.9338 -1.0495 -1.0495 -1.0493 -1.0493 0.3745 0.3745 0.3805 0.3805 0.9444 0.9444 0.9656 0.9656 1.5294 1.5294 1.5619 1.5619 1.9548 1.9548 1.9724 1.9724 6.7434 6.7434 6.7471 6.7471 7.4261 7.4261 7.4321 7.4321 k = 0.2143 0.1615 0.8308 ( 17066 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9310 -1.9310 -1.9310 -1.9310 -1.0568 -1.0568 -1.0567 -1.0567 0.3827 0.3827 0.3870 0.3870 0.9508 0.9508 0.9659 0.9659 1.5326 1.5326 1.5556 1.5556 1.9519 1.9519 1.9643 1.9643 6.7539 6.7539 6.7565 6.7565 7.4150 7.4150 7.4190 7.4190 k = 0.2321 0.1749 0.8308 ( 17064 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9293 -1.9293 -1.9293 -1.9293 -1.0614 -1.0614 -1.0613 -1.0613 0.3882 0.3882 0.3904 0.3904 0.9565 0.9565 0.9644 0.9644 1.5371 1.5371 1.5491 1.5491 1.9514 1.9514 1.9579 1.9579 6.7608 6.7608 6.7622 6.7622 7.4083 7.4083 7.4103 7.4103 k = 0.2500 0.1884 0.8308 ( 17056 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9287 -1.9287 -1.9287 -1.9287 -1.0629 -1.0629 -1.0629 -1.0629 0.3908 0.3908 0.3908 0.3908 0.9612 0.9612 0.9612 0.9612 1.5428 1.5428 1.5428 1.5428 1.9535 1.9535 1.9535 1.9535 6.7637 6.7637 6.7637 6.7637 7.4067 7.4067 7.4067 7.4067 k = 0.2500 0.1884 0.8308 ( 17056 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9287 -1.9287 -1.9287 -1.9287 -1.0629 -1.0629 -1.0629 -1.0629 0.3908 0.3908 0.3908 0.3908 0.9612 0.9612 0.9612 0.9612 1.5428 1.5428 1.5428 1.5428 1.9535 1.9535 1.9535 1.9535 6.7637 6.7637 6.7637 6.7637 7.4067 7.4067 7.4067 7.4067 k = 0.2407 0.2007 0.8154 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6815 -9.6815 -9.6417 -9.6417 -9.2748 -9.2748 -9.2651 -9.2651 -1.9431 -1.9431 -1.9129 -1.9129 -1.0738 -1.0738 -1.0491 -1.0491 0.3399 0.3399 0.4382 0.4382 0.9302 0.9302 0.9915 0.9915 1.5369 1.5369 1.5469 1.5469 1.9477 1.9477 1.9581 1.9581 6.7288 6.7288 6.8035 6.8035 7.3795 7.3795 7.4379 7.4379 k = 0.2315 0.2130 0.8001 ( 17060 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7011 -9.7011 -9.6217 -9.6217 -9.2797 -9.2797 -9.2603 -9.2603 -1.9562 -1.9562 -1.8960 -1.8960 -1.0818 -1.0818 -1.0323 -1.0323 0.2856 0.2856 0.4816 0.4816 0.8989 0.8989 1.0208 1.0208 1.5297 1.5297 1.5490 1.5490 1.9410 1.9410 1.9614 1.9614 6.6989 6.6989 6.8481 6.8481 7.3563 7.3563 7.4732 7.4732 k = 0.2222 0.2253 0.7847 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7204 -9.7204 -9.6017 -9.6017 -9.2847 -9.2847 -9.2557 -9.2557 -1.9677 -1.9677 -1.8780 -1.8780 -1.0869 -1.0869 -1.0126 -1.0126 0.2285 0.2285 0.5209 0.5209 0.8675 0.8675 1.0489 1.0489 1.5213 1.5213 1.5485 1.5485 1.9335 1.9335 1.9636 1.9636 6.6741 6.6741 6.8974 6.8974 7.3370 7.3370 7.5123 7.5123 k = 0.2130 0.2375 0.7694 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7395 -9.7395 -9.5818 -9.5818 -9.2896 -9.2896 -9.2511 -9.2511 -1.9775 -1.9775 -1.8590 -1.8590 -1.0892 -1.0892 -0.9900 -0.9900 0.1689 0.1689 0.5559 0.5559 0.8359 0.8359 1.0751 1.0751 1.5115 1.5115 1.5455 1.5455 1.9257 1.9257 1.9651 1.9651 6.6545 6.6545 6.9511 6.9511 7.3212 7.3212 7.5547 7.5547 k = 0.2037 0.2498 0.7540 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7581 -9.7581 -9.5620 -9.5620 -9.2946 -9.2946 -9.2467 -9.2467 -1.9856 -1.9856 -1.8394 -1.8394 -1.0887 -1.0887 -0.9645 -0.9645 0.1075 0.1075 0.5864 0.5864 0.8044 0.8044 1.0989 1.0989 1.4999 1.4999 1.5402 1.5402 1.9173 1.9173 1.9667 1.9667 6.6400 6.6400 7.0092 7.0092 7.3086 7.3086 7.5991 7.5991 k = 0.1944 0.2621 0.7386 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7763 -9.7763 -9.5424 -9.5424 -9.2995 -9.2995 -9.2425 -9.2425 -1.9919 -1.9919 -1.8190 -1.8190 -1.0856 -1.0856 -0.9363 -0.9363 0.0448 0.0448 0.6122 0.6122 0.7730 0.7730 1.1200 1.1200 1.4852 1.4852 1.5338 1.5338 1.9082 1.9082 1.9693 1.9693 6.6308 6.6308 7.0713 7.0713 7.2990 7.2990 7.6432 7.6432 k = 0.1852 0.2744 0.7233 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7941 -9.7941 -9.5231 -9.5231 -9.3044 -9.3044 -9.2383 -9.2383 -1.9962 -1.9962 -1.7982 -1.7982 -1.0801 -1.0801 -0.9055 -0.9055 -0.0186 -0.0186 0.6328 0.6328 0.7421 0.7421 1.1377 1.1377 1.4665 1.4665 1.5273 1.5273 1.8983 1.8983 1.9735 1.9735 6.6267 6.6267 7.1369 7.1369 7.2923 7.2923 7.6827 7.6827 k = 0.1759 0.2867 0.7079 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8113 -9.8113 -9.5041 -9.5041 -9.3092 -9.3092 -9.2344 -9.2344 -1.9986 -1.9986 -1.7771 -1.7771 -1.0724 -1.0724 -0.8720 -0.8720 -0.0820 -0.0820 0.6467 0.6467 0.7133 0.7133 1.1518 1.1518 1.4435 1.4435 1.5215 1.5215 1.8876 1.8876 1.9798 1.9798 6.6279 6.6279 7.2040 7.2040 7.2898 7.2898 7.7113 7.7113 k = 0.1667 0.2990 0.6926 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8279 -9.8279 -9.4856 -9.4856 -9.3139 -9.3139 -9.2306 -9.2306 -1.9989 -1.9989 -1.7559 -1.7559 -1.0628 -1.0628 -0.8363 -0.8363 -0.1446 -0.1446 0.6468 0.6468 0.6933 0.6933 1.1617 1.1617 1.4167 1.4167 1.5162 1.5162 1.8766 1.8766 1.9880 1.9880 6.6342 6.6342 7.2577 7.2577 7.3060 7.3060 7.7263 7.7263 k = 0.1574 0.3113 0.6772 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8438 -9.8438 -9.4676 -9.4676 -9.3185 -9.3185 -9.2270 -9.2270 -1.9971 -1.9971 -1.7347 -1.7347 -1.0518 -1.0518 -0.7984 -0.7984 -0.2054 -0.2054 0.6254 0.6254 0.6899 0.6899 1.1669 1.1669 1.3874 1.3874 1.5109 1.5109 1.8659 1.8659 1.9979 1.9979 6.6455 6.6455 7.2694 7.2694 7.3688 7.3688 7.7328 7.7328 k = 0.1481 0.3236 0.6618 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8591 -9.8591 -9.4502 -9.4502 -9.3229 -9.3229 -9.2235 -9.2235 -1.9931 -1.9931 -1.7137 -1.7137 -1.0400 -1.0400 -0.7589 -0.7589 -0.2630 -0.2630 0.5936 0.5936 0.6917 0.6917 1.1664 1.1664 1.3576 1.3576 1.5051 1.5051 1.8562 1.8562 2.0090 2.0090 6.6616 6.6616 7.2709 7.2709 7.4458 7.4458 7.7374 7.7374 k = 0.1389 0.3358 0.6465 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8737 -9.8737 -9.4334 -9.4334 -9.3273 -9.3273 -9.2203 -9.2203 -1.9869 -1.9869 -1.6932 -1.6932 -1.0282 -1.0282 -0.7184 -0.7184 -0.3158 -0.3158 0.5581 0.5581 0.6921 0.6921 1.1587 1.1587 1.3299 1.3299 1.4982 1.4982 1.8481 1.8481 2.0207 2.0207 6.6825 6.6825 7.2723 7.2723 7.5263 7.5263 7.7441 7.7441 k = 0.1296 0.3481 0.6311 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8875 -9.8875 -9.4173 -9.4173 -9.3314 -9.3314 -9.2172 -9.2172 -1.9786 -1.9786 -1.6733 -1.6733 -1.0177 -1.0177 -0.6781 -0.6781 -0.3610 -0.3610 0.5202 0.5202 0.6898 0.6898 1.1417 1.1417 1.3073 1.3073 1.4898 1.4898 1.8422 1.8422 2.0327 2.0327 6.7078 6.7078 7.2748 7.2748 7.6067 7.6067 7.7559 7.7559 k = 0.1204 0.3604 0.6158 ( 17104 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9005 -9.9005 -9.4020 -9.4020 -9.3353 -9.3353 -9.2144 -9.2144 -1.9680 -1.9680 -1.6542 -1.6542 -1.0100 -1.0100 -0.6406 -0.6406 -0.3945 -0.3945 0.4802 0.4802 0.6846 0.6846 1.1145 1.1145 1.2915 1.2915 1.4798 1.4798 1.8387 1.8387 2.0444 2.0444 6.7373 6.7373 7.2790 7.2790 7.6802 7.6802 7.7783 7.7783 k = 0.1111 0.3727 0.6004 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9127 -9.9127 -9.3875 -9.3875 -9.3391 -9.3391 -9.2117 -9.2117 -1.9552 -1.9552 -1.6361 -1.6361 -1.0071 -1.0071 -0.6096 -0.6096 -0.4104 -0.4104 0.4379 0.4379 0.6765 0.6765 1.0784 1.0784 1.2822 1.2822 1.4683 1.4683 1.8374 1.8374 2.0557 2.0557 6.7705 6.7705 7.2851 7.2851 7.7312 7.7312 7.8231 7.8231 k = 0.1019 0.3850 0.5850 ( 17104 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9240 -9.9240 -9.3739 -9.3739 -9.3426 -9.3426 -9.2093 -9.2093 -1.9402 -1.9402 -1.6194 -1.6194 -1.0110 -1.0110 -0.5884 -0.5884 -0.4030 -0.4030 0.3936 0.3936 0.6657 0.6657 1.0361 1.0361 1.2776 1.2776 1.4557 1.4557 1.8383 1.8383 2.0662 2.0662 6.8070 6.8070 7.2934 7.2934 7.7594 7.7594 7.8718 7.8718 k = 0.0926 0.3973 0.5697 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9344 -9.9344 -9.3613 -9.3613 -9.3458 -9.3458 -9.2071 -9.2071 -1.9231 -1.9231 -1.6043 -1.6043 -1.0229 -1.0229 -0.5742 -0.5742 -0.3741 -0.3741 0.3471 0.3471 0.6520 0.6520 0.9902 0.9902 1.2761 1.2761 1.4424 1.4424 1.8408 1.8408 2.0758 2.0758 6.8462 6.8462 7.3039 7.3039 7.7798 7.7798 7.8750 7.8750 k = 0.0833 0.4096 0.5543 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9439 -9.9439 -9.3498 -9.3498 -9.3488 -9.3488 -9.2050 -9.2050 -1.9040 -1.9040 -1.5911 -1.5911 -1.0426 -1.0426 -0.5595 -0.5595 -0.3311 -0.3311 0.2987 0.2987 0.6351 0.6351 0.9428 0.9428 1.2766 1.2766 1.4287 1.4287 1.8445 1.8445 2.0843 2.0843 6.8874 6.8874 7.3166 7.3166 7.7977 7.7977 7.8579 7.8579 k = 0.0741 0.4218 0.5390 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9525 -9.9525 -9.3515 -9.3515 -9.3392 -9.3392 -9.2032 -9.2032 -1.8831 -1.8831 -1.5801 -1.5801 -1.0686 -1.0686 -0.5395 -0.5395 -0.2800 -0.2800 0.2486 0.2486 0.6143 0.6143 0.8962 0.8962 1.2786 1.2786 1.4151 1.4151 1.8491 1.8491 2.0917 2.0917 6.9297 6.9297 7.3313 7.3313 7.8120 7.8120 7.8408 7.8408 k = 0.0648 0.4341 0.5236 ( 17106 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9601 -9.9601 -9.3540 -9.3540 -9.3298 -9.3298 -9.2016 -9.2016 -1.8605 -1.8605 -1.5718 -1.5718 -1.0986 -1.0986 -0.5130 -0.5130 -0.2243 -0.2243 0.1971 0.1971 0.5884 0.5884 0.8525 0.8525 1.2818 1.2818 1.4017 1.4017 1.8541 1.8541 2.0980 2.0980 6.9722 6.9722 7.3479 7.3479 7.8096 7.8096 7.8408 7.8408 k = 0.0556 0.4464 0.5082 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9668 -9.9668 -9.3561 -9.3561 -9.3216 -9.3216 -9.2002 -9.2002 -1.8366 -1.8366 -1.5666 -1.5666 -1.1299 -1.1299 -0.4807 -0.4807 -0.1657 -0.1657 0.1449 0.1449 0.5559 0.5559 0.8140 0.8140 1.2859 1.2859 1.3889 1.3889 1.8591 1.8591 2.1033 2.1033 7.0136 7.0136 7.3658 7.3658 7.7944 7.7944 7.8545 7.8545 k = 0.0463 0.4587 0.4929 ( 17108 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9724 -9.9724 -9.3579 -9.3579 -9.3146 -9.3146 -9.1991 -9.1991 -1.8119 -1.8119 -1.5648 -1.5648 -1.1602 -1.1602 -0.4435 -0.4435 -0.1060 -0.1060 0.0931 0.0931 0.5161 0.5161 0.7824 0.7824 1.2907 1.2907 1.3766 1.3766 1.8638 1.8638 2.1075 2.1075 7.0525 7.0525 7.3844 7.3844 7.7792 7.7792 7.8693 7.8693 k = 0.0370 0.4710 0.4775 ( 17108 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9770 -9.9770 -9.3594 -9.3594 -9.3088 -9.3088 -9.1981 -9.1981 -1.7870 -1.7870 -1.5667 -1.5667 -1.1875 -1.1875 -0.4026 -0.4026 -0.0500 -0.0500 0.0461 0.0461 0.4690 0.4690 0.7582 0.7582 1.2963 1.2963 1.3649 1.3649 1.8680 1.8680 2.1108 2.1108 7.0874 7.0874 7.4027 7.4027 7.7660 7.7660 7.8832 7.8832 k = 0.0278 0.4833 0.4622 ( 17110 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9807 -9.9807 -9.3606 -9.3606 -9.3043 -9.3043 -9.1974 -9.1974 -1.7630 -1.7630 -1.5720 -1.5720 -1.2102 -1.2102 -0.3592 -0.3592 -0.0361 -0.0361 0.0428 0.0428 0.4161 0.4161 0.7409 0.7409 1.3026 1.3026 1.3540 1.3540 1.8715 1.8715 2.1133 2.1133 7.1166 7.1166 7.4196 7.4196 7.7553 7.7553 7.8954 7.8954 k = 0.0185 0.4956 0.4468 ( 17102 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9833 -9.9833 -9.3614 -9.3614 -9.3010 -9.3010 -9.1968 -9.1968 -1.7419 -1.7419 -1.5795 -1.5795 -1.2270 -1.2270 -0.3152 -0.3152 -0.0767 -0.0767 0.0958 0.0958 0.3596 0.3596 0.7294 0.7294 1.3095 1.3095 1.3438 1.3438 1.8742 1.8742 2.1150 2.1150 7.1388 7.1388 7.4335 7.4335 7.7473 7.7473 7.9053 7.9053 k = 0.0093 0.5079 0.4314 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9848 -9.9848 -9.3620 -9.3620 -9.2990 -9.2990 -9.1965 -9.1965 -1.7265 -1.7265 -1.5867 -1.5867 -1.2373 -1.2373 -0.2753 -0.2753 -0.1185 -0.1185 0.1537 0.1537 0.3032 0.3032 0.7229 0.7229 1.3170 1.3170 1.3343 1.3343 1.8758 1.8758 2.1159 2.1159 7.1526 7.1526 7.4427 7.4427 7.7424 7.7424 7.9119 7.9119 k = 0.0000 0.5201 0.4161 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9853 -9.9853 -9.3621 -9.3621 -9.2984 -9.2984 -9.1964 -9.1964 -1.7206 -1.7206 -1.5898 -1.5898 -1.2408 -1.2408 -0.2554 -0.2554 -0.1392 -0.1392 0.1897 0.1897 0.2679 0.2679 0.7208 0.7208 1.3243 1.3243 1.3263 1.3263 1.8763 1.8763 2.1163 2.1163 7.1573 7.1573 7.4459 7.4459 7.7407 7.7407 7.9142 7.9142 k = 0.0000 0.5201 0.4161 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9853 -9.9853 -9.3621 -9.3621 -9.2984 -9.2984 -9.1964 -9.1964 -1.7206 -1.7206 -1.5898 -1.5898 -1.2408 -1.2408 -0.2554 -0.2554 -0.1392 -0.1392 0.1897 0.1897 0.2679 0.2679 0.7208 0.7208 1.3243 1.3243 1.3263 1.3263 1.8763 1.8763 2.1163 2.1163 7.1573 7.1573 7.4459 7.4459 7.7407 7.7407 7.9142 7.9142 k = 0.0201 0.5260 0.4087 ( 17087 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9851 -9.9851 -9.3620 -9.3620 -9.2985 -9.2985 -9.1967 -9.1967 -1.7198 -1.7198 -1.5904 -1.5904 -1.2410 -1.2410 -0.2539 -0.2539 -0.1376 -0.1376 0.1889 0.1889 0.2679 0.2679 0.7196 0.7196 1.2994 1.2994 1.3508 1.3508 1.8749 1.8749 2.1178 2.1178 7.1519 7.1519 7.4374 7.4374 7.7448 7.7448 7.9147 7.9147 k = 0.0401 0.5319 0.4013 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9844 -9.9844 -9.3617 -9.3617 -9.2990 -9.2990 -9.1976 -9.1976 -1.7171 -1.7171 -1.5922 -1.5922 -1.2418 -1.2418 -0.2492 -0.2492 -0.1326 -0.1326 0.1866 0.1866 0.2679 0.2679 0.7159 0.7159 1.2733 1.2733 1.3756 1.3756 1.8708 1.8708 2.1220 2.1220 7.1364 7.1364 7.4138 7.4138 7.7554 7.7554 7.9161 7.9161 k = 0.0602 0.5378 0.3940 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9833 -9.9833 -9.3612 -9.3612 -9.2997 -9.2997 -9.1991 -9.1991 -1.7128 -1.7128 -1.5952 -1.5952 -1.2430 -1.2430 -0.2417 -0.2417 -0.1245 -0.1245 0.1830 0.1830 0.2677 0.2677 0.7100 0.7100 1.2471 1.2471 1.3995 1.3995 1.8646 1.8646 2.1284 2.1284 7.1117 7.1117 7.3791 7.3791 7.7690 7.7690 7.9191 7.9191 k = 0.0802 0.5437 0.3866 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9817 -9.9817 -9.3606 -9.3606 -9.3007 -9.3007 -9.2011 -9.2011 -1.7070 -1.7070 -1.5992 -1.5992 -1.2446 -1.2446 -0.2313 -0.2313 -0.1134 -0.1134 0.1781 0.1781 0.2673 0.2673 0.7020 0.7020 1.2211 1.2211 1.4224 1.4224 1.8573 1.8573 2.1359 2.1359 7.0798 7.0798 7.3372 7.3372 7.7824 7.7824 7.9243 7.9243 k = 0.1003 0.5496 0.3792 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9798 -9.9798 -9.3600 -9.3600 -9.3018 -9.3018 -9.2036 -9.2036 -1.6999 -1.6999 -1.6041 -1.6041 -1.2464 -1.2464 -0.2183 -0.2183 -0.0995 -0.0995 0.1723 0.1723 0.2665 0.2665 0.6922 0.6922 1.1954 1.1954 1.4438 1.4438 1.8495 1.8495 2.1437 2.1437 7.0423 7.0423 7.2913 7.2913 7.7934 7.7934 7.9324 7.9324 k = 0.1203 0.5555 0.3719 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9775 -9.9775 -9.3593 -9.3593 -9.3030 -9.3030 -9.2065 -9.2065 -1.6918 -1.6918 -1.6095 -1.6095 -1.2483 -1.2483 -0.2029 -0.2029 -0.0831 -0.0831 0.1656 0.1656 0.2652 0.2652 0.6809 0.6809 1.1702 1.1702 1.4636 1.4636 1.8422 1.8422 2.1511 2.1511 7.0009 7.0009 7.2434 7.2434 7.8008 7.8008 7.9435 7.9435 k = 0.1404 0.5614 0.3645 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9749 -9.9749 -9.3588 -9.3588 -9.3041 -9.3041 -9.2098 -9.2098 -1.6832 -1.6832 -1.6152 -1.6152 -1.2502 -1.2502 -0.1856 -0.1856 -0.0648 -0.0648 0.1584 0.1584 0.2634 0.2634 0.6687 0.6687 1.1458 1.1458 1.4813 1.4813 1.8358 1.8358 2.1573 2.1573 6.9572 6.9572 7.1952 7.1952 7.8044 7.8044 7.9574 7.9574 k = 0.1604 0.5673 0.3571 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9721 -9.9721 -9.3585 -9.3585 -9.3050 -9.3050 -9.2134 -9.2134 -1.6750 -1.6750 -1.6203 -1.6203 -1.2517 -1.2517 -0.1667 -0.1667 -0.0449 -0.0449 0.1511 0.1511 0.2611 0.2611 0.6561 0.6561 1.1222 1.1222 1.4968 1.4968 1.8308 1.8308 2.1619 2.1619 6.9125 6.9125 7.1477 7.1477 7.8042 7.8042 7.9733 7.9733 k = 0.1805 0.5732 0.3497 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9692 -9.9692 -9.3586 -9.3586 -9.3056 -9.3056 -9.2172 -9.2172 -1.6686 -1.6686 -1.6235 -1.6235 -1.2528 -1.2528 -0.1467 -0.1467 -0.0243 -0.0243 0.1440 0.1440 0.2583 0.2583 0.6437 0.6437 1.0996 1.0996 1.5095 1.5095 1.8276 1.8276 2.1647 2.1647 6.8678 6.8678 7.1017 7.1017 7.8009 7.8009 7.9902 7.9902 k = 0.2005 0.5791 0.3424 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9663 -9.9663 -9.3591 -9.3591 -9.3056 -9.3056 -9.2211 -9.2211 -1.6662 -1.6662 -1.6232 -1.6232 -1.2531 -1.2531 -0.1261 -0.1261 -0.0038 -0.0038 0.1377 0.1377 0.2552 0.2552 0.6322 0.6322 1.0781 1.0781 1.5192 1.5192 1.8263 1.8263 2.1655 2.1655 6.8240 6.8240 7.0580 7.0580 7.7948 7.7948 8.0071 8.0071 k = 0.2206 0.5850 0.3350 ( 17074 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9634 -9.9634 -9.3602 -9.3602 -9.3049 -9.3049 -9.2250 -9.2250 -1.6683 -1.6683 -1.6189 -1.6189 -1.2523 -1.2523 -0.1059 -0.1059 0.0156 0.0156 0.1331 0.1331 0.2518 0.2518 0.6224 0.6224 1.0577 1.0577 1.5258 1.5258 1.8269 1.8269 2.1645 2.1645 6.7818 6.7818 7.0169 7.0169 7.7862 7.7862 8.0228 8.0228 k = 0.2407 0.5909 0.3276 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9607 -9.9607 -9.3617 -9.3617 -9.3036 -9.3036 -9.2289 -9.2289 -1.6735 -1.6735 -1.6124 -1.6124 -1.2502 -1.2502 -0.0867 -0.0867 0.0327 0.0327 0.1311 0.1311 0.2485 0.2485 0.6151 0.6151 1.0383 1.0383 1.5290 1.5290 1.8294 1.8294 2.1619 2.1619 6.7419 6.7419 6.9789 6.9789 7.7752 7.7752 8.0361 8.0361 k = 0.2607 0.5968 0.3202 ( 17079 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9583 -9.9583 -9.3636 -9.3636 -9.3017 -9.3017 -9.2327 -9.2327 -1.6801 -1.6801 -1.6059 -1.6059 -1.2465 -1.2465 -0.0696 -0.0696 0.0463 0.0463 0.1325 0.1325 0.2456 0.2456 0.6110 0.6110 1.0201 1.0201 1.5291 1.5291 1.8333 1.8333 2.1579 2.1579 6.7047 6.7047 6.9443 6.9443 7.7619 7.7619 8.0458 8.0458 k = 0.2808 0.6027 0.3129 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9564 -9.9564 -9.3656 -9.3656 -9.2993 -9.2993 -9.2362 -9.2362 -1.6872 -1.6872 -1.6003 -1.6003 -1.2412 -1.2412 -0.0556 -0.0556 0.0564 0.0564 0.1372 0.1372 0.2438 0.2438 0.6107 0.6107 1.0028 1.0028 1.5262 1.5262 1.8382 1.8382 2.1530 2.1530 6.6707 6.6707 6.9133 6.9133 7.7462 7.7462 8.0506 8.0506 k = 0.3008 0.6086 0.3055 ( 17093 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9550 -9.9550 -9.3676 -9.3676 -9.2965 -9.2965 -9.2395 -9.2395 -1.6943 -1.6943 -1.5964 -1.5964 -1.2342 -1.2342 -0.0454 -0.0454 0.0640 0.0640 0.1438 0.1438 0.2436 0.2436 0.6148 0.6148 0.9865 0.9865 1.5207 1.5207 1.8437 1.8437 2.1479 2.1479 6.6401 6.6401 6.8861 6.8861 7.7282 7.7282 8.0494 8.0494 k = 0.3209 0.6145 0.2981 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9542 -9.9542 -9.3693 -9.3693 -9.2935 -9.2935 -9.2423 -9.2423 -1.7012 -1.7012 -1.5946 -1.5946 -1.2257 -1.2257 -0.0392 -0.0392 0.0701 0.0701 0.1504 0.1504 0.2455 0.2455 0.6232 0.6232 0.9709 0.9709 1.5130 1.5130 1.8493 1.8493 2.1430 2.1430 6.6132 6.6132 6.8630 6.8630 7.7077 7.7077 8.0412 8.0413 k = 0.3209 0.6145 0.2981 ( 17092 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9542 -9.9542 -9.3693 -9.3693 -9.2935 -9.2935 -9.2423 -9.2423 -1.7012 -1.7012 -1.5946 -1.5946 -1.2257 -1.2257 -0.0392 -0.0392 0.0701 0.0701 0.1504 0.1504 0.2455 0.2455 0.6232 0.6232 0.9709 0.9709 1.5130 1.5130 1.8493 1.8493 2.1430 2.1430 6.6132 6.6132 6.8630 6.8630 7.7077 7.7077 8.0412 8.0412 k = 0.3303 0.6020 0.2824 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9539 -9.9539 -9.3724 -9.3724 -9.2867 -9.2867 -9.2477 -9.2477 -1.7157 -1.7157 -1.5940 -1.5940 -1.2057 -1.2057 -0.0303 -0.0303 0.0823 0.0823 0.1636 0.1636 0.2539 0.2539 0.6460 0.6460 0.9391 0.9391 1.4956 1.4956 1.8595 1.8595 2.1322 2.1322 6.5606 6.5606 6.8193 6.8193 7.6603 7.6603 8.0085 8.0085 k = 0.3397 0.5895 0.2667 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9543 -9.9543 -9.3754 -9.3754 -9.2791 -9.2791 -9.2530 -9.2530 -1.7303 -1.7303 -1.5951 -1.5951 -1.1847 -1.1847 -0.0226 -0.0226 0.0954 0.0954 0.1773 0.1773 0.2651 0.2651 0.6691 0.6691 0.9081 0.9081 1.4802 1.4802 1.8673 1.8673 2.1194 2.1194 6.5091 6.5091 6.7780 6.7780 7.6106 7.6106 7.9633 7.9633 k = 0.3492 0.5770 0.2511 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9553 -9.9553 -9.3782 -9.3782 -9.2710 -9.2710 -9.2582 -9.2582 -1.7449 -1.7449 -1.5981 -1.5981 -1.1626 -1.1626 -0.0152 -0.0152 0.1094 0.1094 0.1908 0.1908 0.2782 0.2782 0.6925 0.6925 0.8781 0.8781 1.4665 1.4665 1.8730 1.8730 2.1049 2.1049 6.4589 6.4589 6.7393 6.7393 7.5591 7.5591 7.9101 7.9101 k = 0.3586 0.5645 0.2354 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9568 -9.9568 -9.3810 -9.3810 -9.2635 -9.2635 -9.2621 -9.2621 -1.7592 -1.7592 -1.6027 -1.6027 -1.1398 -1.1398 -0.0074 -0.0074 0.1241 0.1241 0.2039 0.2039 0.2923 0.2923 0.7159 0.7159 0.8492 0.8492 1.4547 1.4547 1.8768 1.8768 2.0889 2.0889 6.4102 6.4102 6.7034 6.7034 7.5061 7.5061 7.8528 7.8528 k = 0.3680 0.5519 0.2197 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9589 -9.9589 -9.3836 -9.3836 -9.2680 -9.2680 -9.2535 -9.2535 -1.7732 -1.7732 -1.6088 -1.6088 -1.1165 -1.1165 0.0014 0.0014 0.1390 0.1390 0.2164 0.2164 0.3069 0.3069 0.7391 0.7391 0.8216 0.8216 1.4444 1.4444 1.8788 1.8788 2.0716 2.0716 6.3634 6.3634 6.6704 6.6704 7.4521 7.4521 7.7944 7.7944 k = 0.3774 0.5394 0.2040 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9612 -9.9612 -9.3861 -9.3861 -9.2726 -9.2726 -9.2445 -9.2445 -1.7866 -1.7866 -1.6161 -1.6161 -1.0929 -1.0929 0.0116 0.0116 0.1534 0.1534 0.2284 0.2284 0.3212 0.3212 0.7616 0.7616 0.7961 0.7961 1.4356 1.4356 1.8795 1.8795 2.0532 2.0532 6.3184 6.3184 6.6406 6.6406 7.3976 7.3976 7.7372 7.7372 k = 0.3869 0.5269 0.1883 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9638 -9.9638 -9.3884 -9.3884 -9.2769 -9.2769 -9.2355 -9.2355 -1.7995 -1.7995 -1.6245 -1.6245 -1.0692 -1.0692 0.0233 0.0233 0.1668 0.1668 0.2400 0.2400 0.3347 0.3347 0.7684 0.7684 0.7876 0.7876 1.4281 1.4281 1.8789 1.8789 2.0342 2.0342 6.2757 6.2757 6.6138 6.6138 7.3432 7.3432 7.6826 7.6826 k = 0.3963 0.5144 0.1726 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9665 -9.9665 -9.3905 -9.3905 -9.2810 -9.2810 -9.2267 -9.2267 -1.8116 -1.8116 -1.6335 -1.6335 -1.0456 -1.0456 0.0366 0.0366 0.1787 0.1787 0.2516 0.2516 0.3466 0.3466 0.7477 0.7477 0.8081 0.8081 1.4217 1.4217 1.8775 1.8775 2.0146 2.0146 6.2354 6.2354 6.5902 6.5902 7.2897 7.2897 7.6317 7.6317 k = 0.4057 0.5019 0.1569 ( 17102 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9693 -9.9693 -9.3925 -9.3925 -9.2848 -9.2848 -9.2182 -9.2182 -1.8230 -1.8230 -1.6429 -1.6429 -1.0226 -1.0226 0.0512 0.0512 0.1890 0.1890 0.2629 0.2629 0.3564 0.3564 0.7282 0.7282 0.8291 0.8291 1.4163 1.4163 1.8754 1.8754 1.9950 1.9950 6.1977 6.1977 6.5696 6.5696 7.2377 7.2377 7.5849 7.5849 k = 0.4151 0.4894 0.1412 ( 17118 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9720 -9.9720 -9.3944 -9.3944 -9.2883 -9.2883 -9.2100 -9.2100 -1.8335 -1.8335 -1.6525 -1.6525 -1.0003 -1.0003 0.0670 0.0670 0.1975 0.1975 0.2738 0.2738 0.3637 0.3637 0.7116 0.7116 0.8491 0.8491 1.4118 1.4118 1.8729 1.8729 1.9755 1.9755 6.1628 6.1628 6.5520 6.5520 7.1881 7.1881 7.5425 7.5426 k = 0.4246 0.4769 0.1255 ( 17124 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9747 -9.9747 -9.3960 -9.3960 -9.2915 -9.2915 -9.2024 -9.2024 -1.8430 -1.8430 -1.6618 -1.6618 -0.9792 -0.9792 0.0838 0.0838 0.2044 0.2044 0.2837 0.2837 0.3683 0.3683 0.6981 0.6981 0.8678 0.8678 1.4079 1.4079 1.8702 1.8702 1.9566 1.9566 6.1309 6.1309 6.5372 6.5372 7.1416 7.1416 7.5047 7.5047 k = 0.4340 0.4644 0.1098 ( 17124 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9771 -9.9771 -9.3975 -9.3975 -9.2944 -9.2944 -9.1955 -9.1955 -1.8516 -1.8516 -1.6708 -1.6708 -0.9595 -0.9595 0.1011 0.1011 0.2100 0.2100 0.2917 0.2917 0.3706 0.3706 0.6877 0.6877 0.8850 0.8850 1.4046 1.4046 1.8676 1.8676 1.9387 1.9387 6.1023 6.1023 6.5250 6.5250 7.0990 7.0990 7.4715 7.4715 k = 0.4434 0.4519 0.0941 ( 17122 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9794 -9.9794 -9.3987 -9.3987 -9.2969 -9.2969 -9.1892 -9.1892 -1.8591 -1.8591 -1.6790 -1.6790 -0.9415 -0.9415 0.1189 0.1189 0.2145 0.2145 0.2968 0.2968 0.3715 0.3715 0.6804 0.6804 0.9005 0.9005 1.4019 1.4019 1.8651 1.8651 1.9220 1.9220 6.0771 6.0771 6.5152 6.5152 7.0608 7.0608 7.4428 7.4428 k = 0.4529 0.4394 0.0785 ( 17132 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9814 -9.9814 -9.3998 -9.3998 -9.2991 -9.2991 -9.1838 -9.1838 -1.8655 -1.8655 -1.6864 -1.6864 -0.9257 -0.9257 0.1366 0.1366 0.2182 0.2182 0.2980 0.2980 0.3721 0.3721 0.6757 0.6757 0.9140 0.9140 1.3998 1.3998 1.8628 1.8628 1.9070 1.9070 6.0554 6.0554 6.5076 6.5076 7.0277 7.0277 7.4186 7.4186 k = 0.4623 0.4268 0.0628 ( 17146 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9831 -9.9831 -9.4007 -9.4007 -9.3008 -9.3008 -9.1793 -9.1793 -1.8708 -1.8708 -1.6926 -1.6926 -0.9122 -0.9122 0.1541 0.1541 0.2210 0.2210 0.2948 0.2948 0.3733 0.3733 0.6729 0.6729 0.9254 0.9254 1.3980 1.3980 1.8609 1.8609 1.8941 1.8941 6.0375 6.0375 6.5018 6.5018 7.0000 7.0000 7.3989 7.3989 k = 0.4717 0.4143 0.0471 ( 17154 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9844 -9.9844 -9.4014 -9.4014 -9.3022 -9.3022 -9.1757 -9.1757 -1.8750 -1.8750 -1.6977 -1.6977 -0.9014 -0.9014 0.1706 0.1706 0.2233 0.2233 0.2879 0.2879 0.3751 0.3751 0.6714 0.6714 0.9344 0.9344 1.3967 1.3967 1.8594 1.8594 1.8836 1.8836 6.0234 6.0234 6.4977 6.4977 6.9781 6.9781 7.3835 7.3835 k = 0.4811 0.4018 0.0314 ( 17162 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9854 -9.9854 -9.4019 -9.4019 -9.3032 -9.3032 -9.1731 -9.1731 -1.8780 -1.8780 -1.7014 -1.7014 -0.8935 -0.8935 0.1855 0.1855 0.2250 0.2250 0.2791 0.2791 0.3770 0.3770 0.6708 0.6708 0.9409 0.9409 1.3958 1.3958 1.8584 1.8584 1.8758 1.8758 6.0133 6.0133 6.4949 6.4949 6.9623 6.9623 7.3726 7.3726 k = 0.4906 0.3893 0.0157 ( 17164 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9860 -9.9860 -9.4022 -9.4022 -9.3038 -9.3038 -9.1716 -9.1716 -1.8798 -1.8798 -1.7036 -1.7036 -0.8887 -0.8887 0.1967 0.1967 0.2262 0.2262 0.2710 0.2710 0.3784 0.3784 0.6706 0.6706 0.9449 0.9449 1.3953 1.3953 1.8578 1.8578 1.8710 1.8710 6.0072 6.0072 6.4934 6.4934 6.9527 6.9527 7.3660 7.3660 k = 0.5000 0.3768 0.0000 ( 17174 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9862 -9.9862 -9.4023 -9.4023 -9.3041 -9.3041 -9.1711 -9.1711 -1.8804 -1.8804 -1.7044 -1.7044 -0.8871 -0.8871 0.2011 0.2011 0.2267 0.2267 0.2674 0.2674 0.3789 0.3789 0.6706 0.6706 0.9462 0.9462 1.3951 1.3951 1.8576 1.8576 1.8694 1.8694 6.0051 6.0051 6.4928 6.4928 6.9495 6.9495 7.3639 7.3639 k = 0.5000 0.3768 0.0000 ( 17174 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9862 -9.9862 -9.4023 -9.4023 -9.3041 -9.3041 -9.1711 -9.1711 -1.8804 -1.8804 -1.7044 -1.7044 -0.8871 -0.8871 0.2011 0.2011 0.2267 0.2267 0.2674 0.2674 0.3789 0.3789 0.6706 0.6706 0.9462 0.9462 1.3951 1.3951 1.8576 1.8576 1.8694 1.8694 6.0051 6.0051 6.4928 6.4928 6.9495 6.9495 7.3639 7.3639 k = 0.4821 0.3633 0.0000 ( 17172 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9872 -9.9872 -9.4011 -9.4011 -9.3040 -9.3040 -9.1710 -9.1710 -1.8797 -1.8797 -1.7051 -1.7051 -0.8883 -0.8883 0.1917 0.1917 0.2249 0.2249 0.2745 0.2745 0.3798 0.3798 0.6715 0.6715 0.9452 0.9452 1.3982 1.3982 1.8525 1.8525 1.8754 1.8754 6.0078 6.0078 6.4964 6.4964 6.9532 6.9532 7.3578 7.3578 k = 0.4643 0.3499 0.0000 ( 17156 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9901 -9.9901 -9.3975 -9.3975 -9.3039 -9.3039 -9.1710 -9.1710 -1.8777 -1.8777 -1.7073 -1.7073 -0.8917 -0.8917 0.1704 0.1704 0.2202 0.2202 0.2875 0.2875 0.3827 0.3827 0.6744 0.6744 0.9420 0.9420 1.4073 1.4073 1.8445 1.8445 1.8860 1.8860 6.0159 6.0159 6.5070 6.5070 6.9642 6.9642 7.3400 7.3400 k = 0.4464 0.3364 0.0000 ( 17140 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9948 -9.9948 -9.3916 -9.3916 -9.3036 -9.3036 -9.1709 -9.1709 -1.8744 -1.8744 -1.7110 -1.7110 -0.8972 -0.8972 0.1449 0.1449 0.2129 0.2129 0.2978 0.2978 0.3882 0.3882 0.6796 0.6796 0.9367 0.9367 1.4225 1.4225 1.8364 1.8364 1.8985 1.8985 6.0293 6.0293 6.5245 6.5245 6.9826 6.9826 7.3116 7.3116 k = 0.4286 0.3230 0.0000 ( 17146 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0012 -10.0012 -9.3837 -9.3837 -9.3033 -9.3033 -9.1708 -9.1708 -1.8698 -1.8698 -1.7162 -1.7162 -0.9048 -0.9048 0.1178 0.1178 0.2031 0.2031 0.3026 0.3026 0.3960 0.3960 0.6879 0.6879 0.9293 0.9293 1.4433 1.4433 1.8284 1.8284 1.9127 1.9127 6.0478 6.0478 6.5490 6.5490 7.0080 7.0080 7.2744 7.2744 k = 0.4107 0.3095 0.0000 ( 17130 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0090 -10.0090 -9.3739 -9.3739 -9.3029 -9.3029 -9.1706 -9.1706 -1.8639 -1.8639 -1.7227 -1.7227 -0.9142 -0.9142 0.0905 0.0905 0.1910 0.1910 0.3017 0.3017 0.4047 0.4047 0.6996 0.6996 0.9198 0.9198 1.4695 1.4695 1.8202 1.8202 1.9286 1.9286 6.0712 6.0712 6.5801 6.5801 7.0401 7.0401 7.2300 7.2300 k = 0.3929 0.2961 0.0000 ( 17126 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0181 -10.0181 -9.3624 -9.3624 -9.3024 -9.3024 -9.1704 -9.1704 -1.8567 -1.8567 -1.7305 -1.7305 -0.9252 -0.9252 0.0633 0.0633 0.1768 0.1768 0.2962 0.2962 0.4125 0.4125 0.7153 0.7153 0.9083 0.9083 1.5006 1.5006 1.8119 1.8119 1.9462 1.9462 6.0993 6.0993 6.6177 6.6177 7.0773 7.0773 7.1813 7.1813 k = 0.3750 0.2826 0.0000 ( 17124 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0282 -10.0282 -9.3496 -9.3496 -9.3019 -9.3019 -9.1702 -9.1702 -1.8484 -1.8484 -1.7397 -1.7397 -0.9374 -0.9374 0.0368 0.0368 0.1608 0.1608 0.2873 0.2873 0.4180 0.4180 0.7347 0.7347 0.8949 0.8949 1.5362 1.5362 1.8034 1.8034 1.9654 1.9654 6.1316 6.1316 6.6615 6.6615 7.1015 7.1015 7.1480 7.1480 k = 0.3571 0.2691 0.0000 ( 17122 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0391 -10.0391 -9.3357 -9.3357 -9.3013 -9.3013 -9.1700 -9.1700 -1.8391 -1.8391 -1.7499 -1.7499 -0.9507 -0.9507 0.0110 0.0110 0.1434 0.1434 0.2758 0.2758 0.4208 0.4208 0.7573 0.7573 0.8799 0.8799 1.5755 1.5755 1.7949 1.7949 1.9863 1.9863 6.1679 6.1679 6.7110 6.7110 7.0575 7.0575 7.1861 7.1861 k = 0.3393 0.2557 0.0000 ( 17114 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0505 -10.0505 -9.3209 -9.3209 -9.3006 -9.3006 -9.1697 -9.1697 -1.8287 -1.8287 -1.7612 -1.7612 -0.9647 -0.9647 -0.0140 -0.0140 0.1247 0.1247 0.2623 0.2623 0.4213 0.4213 0.7819 0.7819 0.8640 0.8640 1.6178 1.6178 1.7867 1.7867 2.0086 2.0086 6.2077 6.2077 6.7655 6.7655 6.9994 6.9994 7.2430 7.2430 k = 0.3214 0.2422 0.0000 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0623 -10.0623 -9.3055 -9.3055 -9.2998 -9.2998 -9.1694 -9.1694 -1.8177 -1.8177 -1.7730 -1.7730 -0.9792 -0.9792 -0.0380 -0.0380 0.1051 0.1051 0.2473 0.2473 0.4197 0.4197 0.8050 0.8050 0.8502 0.8502 1.6615 1.6615 1.7797 1.7797 2.0323 2.0323 6.2503 6.2503 6.8219 6.8219 6.9422 6.9422 7.3068 7.3068 k = 0.3036 0.2288 0.0000 ( 17123 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0742 -10.0742 -9.2991 -9.2991 -9.2897 -9.2897 -9.1691 -9.1691 -1.8073 -1.8073 -1.7842 -1.7842 -0.9940 -0.9940 -0.0612 -0.0612 0.0850 0.0850 0.2313 0.2313 0.4165 0.4165 0.8103 0.8103 0.8543 0.8543 1.7024 1.7024 1.7777 1.7777 2.0570 2.0570 6.2953 6.2953 6.8484 6.8484 6.9194 6.9194 7.3763 7.3763 k = 0.2857 0.2153 0.0000 ( 17119 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0862 -10.0862 -9.2983 -9.2983 -9.2738 -9.2738 -9.1688 -9.1688 -1.8066 -1.8066 -1.7855 -1.7855 -1.0089 -1.0089 -0.0837 -0.0837 0.0648 0.0648 0.2146 0.2146 0.4124 0.4124 0.7947 0.7947 0.8790 0.8790 1.7267 1.7267 1.7939 1.7939 2.0827 2.0827 6.3419 6.3419 6.8014 6.8014 6.9754 6.9754 7.4507 7.4507 k = 0.2679 0.2019 0.0000 ( 17115 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0980 -10.0980 -9.2974 -9.2974 -9.2579 -9.2579 -9.1685 -9.1685 -1.8183 -1.8183 -1.7741 -1.7741 -1.0237 -1.0237 -0.1056 -0.1056 0.0447 0.0447 0.1975 0.1975 0.4078 0.4078 0.7739 0.7739 0.9080 0.9080 1.7283 1.7283 1.8337 1.8337 2.1092 2.1092 6.3892 6.3892 6.7436 6.7436 7.0477 7.0477 7.5292 7.5292 k = 0.2500 0.1884 0.0000 ( 17109 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1095 -10.1095 -9.2966 -9.2966 -9.2422 -9.2422 -9.1682 -9.1682 -1.8324 -1.8324 -1.7601 -1.7601 -1.0383 -1.0383 -0.1271 -0.1271 0.0253 0.0253 0.1804 0.1804 0.4029 0.4029 0.7515 0.7515 0.9376 0.9376 1.7219 1.7219 1.8820 1.8820 2.1363 2.1363 6.4359 6.4359 6.6869 6.6869 7.1255 7.1255 7.6108 7.6108 k = 0.2321 0.1749 0.0000 ( 17101 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1207 -10.1207 -9.2957 -9.2957 -9.2269 -9.2269 -9.1678 -9.1678 -1.8469 -1.8469 -1.7453 -1.7453 -1.0524 -1.0524 -0.1483 -0.1483 0.0070 0.0070 0.1635 0.1635 0.3982 0.3982 0.7283 0.7283 0.9669 0.9669 1.7133 1.7133 1.9321 1.9321 2.1640 2.1640 6.4789 6.4789 6.6353 6.6353 7.2068 7.2068 7.6214 7.6214 k = 0.2143 0.1615 0.0000 ( 17107 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1313 -10.1313 -9.2949 -9.2949 -9.2121 -9.2121 -9.1675 -9.1675 -1.8615 -1.8615 -1.7301 -1.7301 -1.0660 -1.0660 -0.1694 -0.1694 -0.0100 -0.0100 0.1470 0.1470 0.3940 0.3940 0.7046 0.7046 0.9954 0.9954 1.7041 1.7041 1.9819 1.9819 2.1922 2.1922 6.5070 6.5070 6.6002 6.6002 7.2906 7.2906 7.5330 7.5330 k = 0.1964 0.1480 0.0000 ( 17123 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1414 -10.1414 -9.2941 -9.2941 -9.1979 -9.1979 -9.1672 -9.1672 -1.8759 -1.8759 -1.7146 -1.7146 -1.0789 -1.0789 -0.1903 -0.1903 -0.0252 -0.0252 0.1312 0.1312 0.3904 0.3904 0.6807 0.6807 1.0226 1.0226 1.6948 1.6948 2.0298 2.0298 2.2209 2.2209 6.4928 6.4928 6.6086 6.6086 7.3736 7.3736 7.4488 7.4488 k = 0.1786 0.1346 0.0000 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1508 -10.1508 -9.2933 -9.2933 -9.1846 -9.1846 -9.1669 -9.1669 -1.8898 -1.8898 -1.6993 -1.6993 -1.0912 -1.0912 -0.2111 -0.2111 -0.0386 -0.0386 0.1163 0.1163 0.3878 0.3878 0.6568 0.6568 1.0484 1.0484 1.6857 1.6857 2.0748 2.0748 2.2502 2.2502 6.4541 6.4541 6.6424 6.6424 7.3560 7.3560 7.4697 7.4697 k = 0.1607 0.1211 0.0000 ( 17083 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1596 -10.1596 -9.2925 -9.2925 -9.1722 -9.1722 -9.1666 -9.1666 -1.9030 -1.9030 -1.6843 -1.6843 -1.1026 -1.1026 -0.2315 -0.2315 -0.0501 -0.0501 0.1022 0.1022 0.3862 0.3862 0.6332 0.6332 1.0724 1.0724 1.6771 1.6771 2.1160 2.1160 2.2801 2.2801 6.4129 6.4129 6.6794 6.6794 7.2774 7.2774 7.5564 7.5564 k = 0.1429 0.1077 0.0000 ( 17057 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1675 -10.1675 -9.2918 -9.2918 -9.1665 -9.1665 -9.1607 -9.1607 -1.9154 -1.9154 -1.6698 -1.6698 -1.1131 -1.1131 -0.2512 -0.2512 -0.0597 -0.0597 0.0893 0.0893 0.3859 0.3859 0.6101 0.6101 1.0945 1.0945 1.6690 1.6690 2.1525 2.1525 2.3103 2.3103 6.3739 6.3739 6.7145 6.7145 7.2026 7.2026 7.6445 7.6445 k = 0.1250 0.0942 0.0000 ( 17061 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1746 -10.1746 -9.2912 -9.2912 -9.1662 -9.1662 -9.1505 -9.1505 -1.9267 -1.9267 -1.6561 -1.6561 -1.1226 -1.1226 -0.2698 -0.2698 -0.0676 -0.0676 0.0776 0.0776 0.3870 0.3870 0.5876 0.5876 1.1144 1.1144 1.6615 1.6615 2.1839 2.1839 2.3404 2.3404 6.3384 6.3384 6.7462 6.7462 7.1338 7.1338 7.7317 7.7317 k = 0.1071 0.0807 0.0000 ( 17069 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1809 -10.1809 -9.2906 -9.2906 -9.1660 -9.1660 -9.1414 -9.1414 -1.9368 -1.9368 -1.6434 -1.6434 -1.1311 -1.1311 -0.2870 -0.2870 -0.0740 -0.0740 0.0673 0.0673 0.3894 0.3894 0.5661 0.5661 1.1321 1.1321 1.6548 1.6548 2.2103 2.2103 2.3695 2.3695 6.3071 6.3071 6.7739 6.7739 7.0720 7.0720 7.8168 7.8168 k = 0.0893 0.0673 0.0000 ( 17071 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1862 -10.1862 -9.2901 -9.2901 -9.1658 -9.1658 -9.1336 -9.1336 -1.9457 -1.9457 -1.6321 -1.6321 -1.1384 -1.1384 -0.3023 -0.3023 -0.0790 -0.0790 0.0583 0.0583 0.3932 0.3932 0.5457 0.5457 1.1473 1.1473 1.6490 1.6490 2.2319 2.2319 2.3965 2.3965 6.2802 6.2802 6.7973 6.7973 7.0181 7.0181 7.8982 7.8982 k = 0.0714 0.0538 0.0000 ( 17093 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1906 -10.1906 -9.2897 -9.2897 -9.1657 -9.1657 -9.1271 -9.1271 -1.9530 -1.9530 -1.6225 -1.6225 -1.1445 -1.1445 -0.3155 -0.3155 -0.0828 -0.0828 0.0508 0.0508 0.3983 0.3983 0.5267 0.5267 1.1599 1.1599 1.6441 1.6441 2.2490 2.2490 2.4203 2.4203 6.2579 6.2579 6.8163 6.8163 6.9729 6.9729 7.9600 7.9600 k = 0.0536 0.0404 0.0000 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1941 -10.1941 -9.2894 -9.2894 -9.1655 -9.1655 -9.1221 -9.1221 -1.9589 -1.9589 -1.6146 -1.6146 -1.1494 -1.1494 -0.3261 -0.3261 -0.0856 -0.0856 0.0450 0.0450 0.4044 0.4044 0.5096 0.5096 1.1699 1.1699 1.6402 1.6402 2.2620 2.2620 2.4398 2.4398 6.2405 6.2405 6.8309 6.8309 6.9370 6.9370 7.9739 7.9739 k = 0.0357 0.0269 0.0000 ( 17041 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1965 -10.1965 -9.2891 -9.2891 -9.1654 -9.1654 -9.1184 -9.1184 -1.9631 -1.9631 -1.6089 -1.6089 -1.1529 -1.1529 -0.3339 -0.3339 -0.0875 -0.0875 0.0407 0.0407 0.4109 0.4109 0.4953 0.4953 1.1770 1.1770 1.6374 1.6374 2.2711 2.2711 2.4543 2.4543 6.2280 6.2280 6.8412 6.8412 6.9110 6.9110 7.9848 7.9848 k = 0.0179 0.0135 0.0000 ( 17023 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1980 -10.1980 -9.2890 -9.2890 -9.1654 -9.1654 -9.1162 -9.1162 -1.9657 -1.9657 -1.6054 -1.6054 -1.1550 -1.1550 -0.3386 -0.3386 -0.0886 -0.0886 0.0381 0.0381 0.4163 0.4163 0.4850 0.4850 1.1813 1.1813 1.6357 1.6357 2.2766 2.2766 2.4633 2.4633 6.2204 6.2204 6.8474 6.8474 6.8952 6.8952 7.9919 7.9919 k = 0.0000 0.0000 0.0000 ( 17023 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1985 -10.1985 -9.2890 -9.2890 -9.1654 -9.1654 -9.1155 -9.1155 -1.9665 -1.9665 -1.6042 -1.6042 -1.1558 -1.1558 -0.3402 -0.3402 -0.0890 -0.0890 0.0373 0.0373 0.4186 0.4186 0.4812 0.4812 1.1828 1.1828 1.6351 1.6351 2.2784 2.2784 2.4663 2.4663 6.2179 6.2179 6.8494 6.8494 6.8899 6.8899 7.9943 7.9943 k = 0.0000 0.0000 0.0000 ( 17023 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1985 -10.1985 -9.2890 -9.2890 -9.1654 -9.1654 -9.1155 -9.1155 -1.9665 -1.9665 -1.6042 -1.6042 -1.1558 -1.1558 -0.3402 -0.3402 -0.0890 -0.0890 0.0373 0.0373 0.4186 0.4186 0.4812 0.4812 1.1828 1.1828 1.6351 1.6351 2.2784 2.2784 2.4663 2.4663 6.2179 6.2179 6.8494 6.8494 6.8899 6.8899 7.9943 7.9943 k = 0.0094-0.0125 0.0157 ( 17035 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1979 -10.1979 -9.2897 -9.2897 -9.1656 -9.1656 -9.1155 -9.1155 -1.9659 -1.9659 -1.6069 -1.6069 -1.1519 -1.1519 -0.3446 -0.3446 -0.0891 -0.0891 0.0391 0.0391 0.4231 0.4231 0.4828 0.4828 1.1812 1.1812 1.6336 1.6336 2.2751 2.2751 2.4652 2.4652 6.2211 6.2211 6.8498 6.8498 6.8955 6.8955 7.9863 7.9863 k = 0.0189-0.0251 0.0313 ( 17045 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1959 -10.1959 -9.2917 -9.2917 -9.1661 -9.1661 -9.1155 -9.1155 -1.9642 -1.9642 -1.6149 -1.6149 -1.1408 -1.1408 -0.3570 -0.3570 -0.0907 -0.0907 0.0454 0.0454 0.4357 0.4357 0.4880 0.4880 1.1765 1.1765 1.6292 1.6292 2.2656 2.2656 2.4621 2.4621 6.2308 6.2308 6.8510 6.8510 6.9120 6.9120 7.9659 7.9659 k = 0.0283-0.0376 0.0470 ( 17073 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1926 -10.1926 -9.2952 -9.2952 -9.1670 -9.1670 -9.1156 -9.1156 -1.9614 -1.9614 -1.6272 -1.6272 -1.1236 -1.1236 -0.3750 -0.3750 -0.0959 -0.0959 0.0575 0.0575 0.4540 0.4540 0.4980 0.4980 1.1686 1.1686 1.6220 1.6220 2.2499 2.2499 2.4569 2.4569 6.2468 6.2468 6.8531 6.8531 6.9391 6.9391 7.9388 7.9388 k = 0.0378-0.0501 0.0627 ( 17075 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1880 -10.1880 -9.3000 -9.3000 -9.1683 -9.1683 -9.1158 -9.1158 -1.9574 -1.9574 -1.6427 -1.6427 -1.1017 -1.1017 -0.3963 -0.3963 -0.1054 -0.1054 0.0754 0.0754 0.4735 0.4735 0.5153 0.5153 1.1579 1.1579 1.6119 1.6119 2.2286 2.2286 2.4497 2.4497 6.2692 6.2692 6.8558 6.8558 6.9763 6.9763 7.9083 7.9083 k = 0.0472-0.0627 0.0783 ( 17083 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1821 -10.1821 -9.3062 -9.3062 -9.1699 -9.1699 -9.1160 -9.1160 -1.9523 -1.9523 -1.6601 -1.6601 -1.0769 -1.0769 -0.4188 -0.4188 -0.1181 -0.1181 0.0979 0.0979 0.4908 0.4908 0.5417 0.5417 1.1444 1.1444 1.5993 1.5993 2.2023 2.2023 2.4405 2.4405 6.2980 6.2980 6.8589 6.8589 7.0230 7.0230 7.8760 7.8760 k = 0.0567-0.0752 0.0940 ( 17087 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1749 -10.1749 -9.3136 -9.3136 -9.1719 -9.1719 -9.1162 -9.1162 -1.9461 -1.9461 -1.6786 -1.6786 -1.0509 -1.0509 -0.4405 -0.4405 -0.1326 -0.1326 0.1235 0.1235 0.5065 0.5065 0.5743 0.5743 1.1286 1.1286 1.5841 1.5841 2.1717 2.1717 2.4296 2.4296 6.3332 6.3332 6.8620 6.8620 7.0784 7.0784 7.8426 7.8426 k = 0.0661-0.0877 0.1097 ( 17103 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1665 -10.1665 -9.3224 -9.3224 -9.1742 -9.1742 -9.1165 -9.1165 -1.9388 -1.9388 -1.6973 -1.6973 -1.0253 -1.0253 -0.4600 -0.4600 -0.1471 -0.1471 0.1510 0.1510 0.5223 0.5223 0.6095 0.6095 1.1112 1.1112 1.5666 1.5666 2.1377 2.1377 2.4169 2.4169 6.3747 6.3747 6.8650 6.8650 7.1416 7.1416 7.8087 7.8087 k = 0.0756-0.1003 0.1253 ( 17109 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1568 -10.1568 -9.3323 -9.3323 -9.1769 -9.1769 -9.1169 -9.1169 -1.9305 -1.9305 -1.7157 -1.7157 -1.0017 -1.0017 -0.4763 -0.4763 -0.1604 -0.1604 0.1797 0.1797 0.5392 0.5392 0.6442 0.6442 1.0930 1.0930 1.5469 1.5469 2.1013 2.1013 2.4026 2.4026 6.4224 6.4224 6.8673 6.8673 7.2114 7.2114 7.7743 7.7743 k = 0.0850-0.1128 0.1410 ( 17115 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1459 -10.1459 -9.3435 -9.3435 -9.1799 -9.1799 -9.1173 -9.1173 -1.9212 -1.9212 -1.7334 -1.7334 -0.9816 -0.9816 -0.4885 -0.4885 -0.1711 -0.1711 0.2088 0.2088 0.5573 0.5573 0.6754 0.6754 1.0757 1.0757 1.5253 1.5253 2.0634 2.0634 2.3869 2.3869 6.4763 6.4763 6.8689 6.8689 7.2865 7.2865 7.7400 7.7400 k = 0.0944-0.1253 0.1567 ( 17101 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1337 -10.1337 -9.3557 -9.3557 -9.1832 -9.1832 -9.1177 -9.1177 -1.9109 -1.9109 -1.7500 -1.7500 -0.9659 -0.9659 -0.4964 -0.4964 -0.1780 -0.1780 0.2382 0.2382 0.5765 0.5765 0.7000 0.7000 1.0614 1.0614 1.5019 1.5019 2.0252 2.0252 2.3701 2.3701 6.5362 6.5362 6.8696 6.8696 7.3651 7.3651 7.7058 7.7058 k = 0.1039-0.1379 0.1723 ( 17087 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1204 -10.1204 -9.3691 -9.3691 -9.1869 -9.1869 -9.1183 -9.1183 -1.8997 -1.8997 -1.7653 -1.7653 -0.9553 -0.9553 -0.5006 -0.5006 -0.1798 -0.1798 0.2676 0.2676 0.5966 0.5966 0.7145 0.7145 1.0529 1.0529 1.4771 1.4771 1.9877 1.9877 2.3522 2.3522 6.6019 6.6019 6.8694 6.8694 7.4448 7.4448 7.6721 7.6721 k = 0.1133-0.1504 0.1880 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.1059 -10.1059 -9.3834 -9.3834 -9.1909 -9.1909 -9.1188 -9.1188 -1.8876 -1.8876 -1.7791 -1.7791 -0.9495 -0.9495 -0.5021 -0.5021 -0.1755 -0.1755 0.2968 0.2968 0.6166 0.6166 0.7167 0.7167 1.0522 1.0522 1.4509 1.4509 1.9521 1.9521 2.3335 2.3335 6.6730 6.6730 6.8685 6.8685 7.5219 7.5219 7.6393 7.6393 k = 0.1228-0.1629 0.2037 ( 17089 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0903 -10.0903 -9.3987 -9.3987 -9.1952 -9.1952 -9.1195 -9.1195 -1.8748 -1.8748 -1.7914 -1.7914 -0.9479 -0.9479 -0.5025 -0.5025 -0.1643 -0.1643 0.3254 0.3254 0.6343 0.6343 0.7083 0.7083 1.0593 1.0593 1.4236 1.4236 1.9194 1.9194 2.3144 2.3144 6.7483 6.7483 6.8682 6.8682 7.5878 7.5878 7.6104 7.6104 k = 0.1322-0.1755 0.2193 ( 17095 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0736 -10.0736 -9.4148 -9.4148 -9.1998 -9.1998 -9.1202 -9.1202 -1.8612 -1.8612 -1.8020 -1.8020 -0.9493 -0.9493 -0.5030 -0.5030 -0.1461 -0.1461 0.3529 0.3529 0.6403 0.6403 0.7006 0.7006 1.0717 1.0717 1.3954 1.3954 1.8906 1.8906 2.2952 2.2952 6.8194 6.8194 6.8768 6.8768 7.5751 7.5751 7.6435 7.6435 k = 0.1417-0.1880 0.2350 ( 17107 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0559 -10.0559 -9.4318 -9.4318 -9.2047 -9.2047 -9.1210 -9.1210 -1.8473 -1.8473 -1.8107 -1.8107 -0.9528 -0.9528 -0.5045 -0.5045 -0.1213 -0.1213 0.3781 0.3781 0.6219 0.6219 0.7099 0.7099 1.0863 1.0863 1.3668 1.3668 1.8664 1.8664 2.2761 2.2761 6.8452 6.8452 6.9356 6.9356 7.5466 7.5466 7.6627 7.6627 k = 0.1511-0.2005 0.2507 ( 17105 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0371 -10.0371 -9.4495 -9.4495 -9.2099 -9.2099 -9.1219 -9.1219 -1.8344 -1.8344 -1.8162 -1.8162 -0.9571 -0.9571 -0.5071 -0.5071 -0.0911 -0.0911 0.3982 0.3982 0.5906 0.5906 0.7297 0.7297 1.1001 1.1001 1.3380 1.3380 1.8472 1.8472 2.2575 2.2575 6.8458 6.8458 7.0246 7.0246 7.5199 7.5199 7.6418 7.6418 k = 0.1606-0.2130 0.2663 ( 17093 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -10.0174 -10.0174 -9.4678 -9.4678 -9.2154 -9.2154 -9.1228 -9.1228 -1.8298 -1.8298 -1.8111 -1.8111 -0.9614 -0.9614 -0.5107 -0.5107 -0.0568 -0.0568 0.4060 0.4060 0.5629 0.5629 0.7524 0.7524 1.1111 1.1111 1.3098 1.3098 1.8331 1.8331 2.2398 2.2398 6.8434 6.8434 7.1214 7.1214 7.4955 7.4955 7.5858 7.5858 k = 0.1700-0.2256 0.2820 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9968 -9.9968 -9.4867 -9.4867 -9.2211 -9.2211 -9.1238 -9.1238 -1.8324 -1.8324 -1.7969 -1.7969 -0.9650 -0.9650 -0.5148 -0.5148 -0.0199 -0.0199 0.3904 0.3904 0.5533 0.5533 0.7758 0.7758 1.1177 1.1177 1.2832 1.2832 1.8235 1.8235 2.2234 2.2234 6.8411 6.8411 7.2231 7.2231 7.4734 7.4734 7.5084 7.5084 k = 0.1794-0.2381 0.2977 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9753 -9.9753 -9.5061 -9.5061 -9.2270 -9.2270 -9.1249 -9.1249 -1.8350 -1.8350 -1.7808 -1.7808 -0.9674 -0.9674 -0.5193 -0.5193 0.0184 0.0184 0.3511 0.3511 0.5639 0.5639 0.7987 0.7987 1.1186 1.1186 1.2601 1.2601 1.8175 1.8175 2.2087 2.2087 6.8398 6.8398 7.3278 7.3278 7.4155 7.4155 7.4597 7.4597 k = 0.1889-0.2506 0.3133 ( 17106 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.9530 -9.9530 -9.5259 -9.5259 -9.2331 -9.2331 -9.1261 -9.1261 -1.8366 -1.8366 -1.7640 -1.7640 -0.9681 -0.9681 -0.5237 -0.5237 0.0568 0.0568 0.2983 0.2983 0.5855 0.5855 0.8205 0.8205 1.1124 1.1124 1.2428 1.2428 1.8142 1.8142 2.1958 2.1958 6.8401 6.8401 7.3214 7.3214 7.4193 7.4193 7.4628 7.4628 k = 0.1983-0.2632 0.3290 ( 17112 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.9299 -9.9299 -9.5460 -9.5460 -9.2395 -9.2395 -9.1274 -9.1274 -1.8369 -1.8369 -1.7469 -1.7469 -0.9669 -0.9669 -0.5279 -0.5279 0.0942 0.0942 0.2393 0.2393 0.6119 0.6119 0.8407 0.8407 1.0987 1.0987 1.2330 1.2330 1.8122 1.8122 2.1849 2.1849 6.8426 6.8426 7.2251 7.2251 7.4254 7.4254 7.5585 7.5585 k = 0.2078-0.2757 0.3447 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.9061 -9.9061 -9.5664 -9.5664 -9.2460 -9.2460 -9.1287 -9.1287 -1.8362 -1.8362 -1.7297 -1.7297 -0.9634 -0.9634 -0.5319 -0.5319 0.1294 0.1294 0.1782 0.1782 0.6404 0.6404 0.8584 0.8584 1.0790 1.0790 1.2309 1.2309 1.8105 1.8105 2.1759 2.1759 6.8477 6.8477 7.1293 7.1293 7.4203 7.4203 7.6720 7.6720 k = 0.2172-0.2882 0.3603 ( 17108 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.8817 -9.8817 -9.5870 -9.5870 -9.2527 -9.2527 -9.1301 -9.1301 -1.8343 -1.8343 -1.7125 -1.7125 -0.9577 -0.9577 -0.5359 -0.5359 0.1139 0.1139 0.1647 0.1647 0.6695 0.6695 0.8730 0.8730 1.0565 1.0565 1.2349 1.2349 1.8086 1.8086 2.1685 2.1685 6.8559 6.8559 7.0351 7.0351 7.4185 7.4185 7.7876 7.7876 k = 0.2267-0.3008 0.3760 ( 17110 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.8568 -9.8568 -9.6077 -9.6077 -9.2595 -9.2595 -9.1316 -9.1316 -1.8315 -1.8315 -1.6955 -1.6955 -0.9495 -0.9495 -0.5401 -0.5401 0.0530 0.0530 0.1946 0.1946 0.6983 0.6983 0.8831 0.8831 1.0348 1.0348 1.2437 1.2437 1.8061 1.8061 2.1619 2.1619 6.8675 6.8675 6.9436 6.9436 7.4212 7.4212 7.9028 7.9028 k = 0.2361-0.3133 0.3917 ( 17114 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.8314 -9.8314 -9.6284 -9.6284 -9.2664 -9.2664 -9.1331 -9.1331 -1.8278 -1.8278 -1.6789 -1.6789 -0.9388 -0.9388 -0.5451 -0.5451 -0.0059 -0.0059 0.2217 0.2217 0.7259 0.7259 0.8865 0.8865 1.0185 1.0185 1.2561 1.2561 1.8031 1.8031 2.1556 2.1556 6.8547 6.8547 6.8834 6.8834 7.4286 7.4286 8.0149 8.0149 k = 0.2456-0.3258 0.4073 ( 17102 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.8055 -9.8055 -9.6491 -9.6491 -9.2734 -9.2734 -9.1347 -9.1347 -1.8233 -1.8233 -1.6629 -1.6629 -0.9256 -0.9256 -0.5516 -0.5516 -0.0609 -0.0609 0.2455 0.2455 0.7512 0.7512 0.8803 0.8803 1.0121 1.0121 1.2711 1.2711 1.7998 1.7998 2.1487 2.1487 6.7699 6.7699 6.9029 6.9029 7.4407 7.4407 8.1174 8.1174 k = 0.2550-0.3384 0.4230 ( 17106 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7794 -9.7794 -9.6696 -9.6696 -9.2805 -9.2805 -9.1364 -9.1364 -1.8182 -1.8182 -1.6477 -1.6477 -0.9101 -0.9101 -0.5606 -0.5606 -0.1102 -0.1102 0.2659 0.2659 0.7728 0.7728 0.8646 0.8646 1.0176 1.0176 1.2877 1.2877 1.7967 1.7967 2.1404 2.1404 6.6887 6.6887 6.9269 6.9269 7.4576 7.4576 8.1859 8.1859 k = 0.2644-0.3509 0.4387 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7530 -9.7530 -9.6900 -9.6900 -9.2876 -9.2876 -9.1381 -9.1381 -1.8125 -1.8125 -1.6336 -1.6336 -0.8923 -0.8923 -0.5730 -0.5730 -0.1519 -0.1519 0.2830 0.2830 0.7889 0.7889 0.8437 0.8437 1.0330 1.0330 1.3049 1.3049 1.7943 1.7943 2.1299 2.1299 6.6116 6.6116 6.9557 6.9557 7.4790 7.4790 8.1686 8.1686 k = 0.2739-0.3634 0.4543 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7264 -9.7264 -9.7101 -9.7101 -9.2947 -9.2947 -9.1398 -9.1398 -1.8064 -1.8064 -1.6209 -1.6209 -0.8727 -0.8727 -0.5894 -0.5894 -0.1846 -0.1846 0.2973 0.2973 0.7925 0.7925 0.8273 0.8273 1.0557 1.0557 1.3219 1.3219 1.7931 1.7931 2.1167 2.1167 6.5387 6.5387 6.9892 6.9892 7.5044 7.5044 8.0709 8.0709 k = 0.2833-0.3760 0.4700 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7300 -9.7300 -9.6998 -9.6998 -9.3018 -9.3018 -9.1416 -9.1416 -1.7999 -1.7999 -1.6100 -1.6100 -0.8519 -0.8519 -0.6094 -0.6094 -0.2074 -0.2074 0.3090 0.3090 0.7745 0.7745 0.8268 0.8268 1.0838 1.0838 1.3378 1.3378 1.7934 1.7934 2.1004 2.1004 6.4702 6.4702 7.0275 7.0275 7.5331 7.5331 7.9533 7.9533 k = 0.2928-0.3885 0.4857 ( 17084 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7494 -9.7494 -9.6732 -9.6732 -9.3089 -9.3089 -9.1435 -9.1435 -1.7933 -1.7933 -1.6012 -1.6012 -0.8314 -0.8314 -0.6308 -0.6308 -0.2205 -0.2205 0.3185 0.3185 0.7476 0.7476 0.8307 0.8307 1.1157 1.1157 1.3519 1.3519 1.7955 1.7955 2.0807 2.0807 6.4061 6.4061 7.0708 7.0708 7.5638 7.5638 7.8334 7.8334 k = 0.3022-0.4010 0.5013 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7684 -9.7684 -9.6468 -9.6468 -9.3159 -9.3159 -9.1453 -9.1453 -1.7865 -1.7865 -1.5950 -1.5950 -0.8142 -0.8142 -0.6492 -0.6492 -0.2248 -0.2248 0.3265 0.3265 0.7190 0.7190 0.8331 0.8331 1.1501 1.1501 1.3638 1.3638 1.7994 1.7994 2.0576 2.0576 6.3467 6.3467 7.1189 7.1189 7.5947 7.5947 7.7157 7.7157 k = 0.3117-0.4136 0.5170 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7869 -9.7869 -9.6205 -9.6205 -9.3227 -9.3227 -9.1471 -9.1471 -1.7797 -1.7797 -1.5917 -1.5917 -0.8058 -0.8058 -0.6573 -0.6573 -0.2218 -0.2218 0.3331 0.3331 0.6901 0.6901 0.8333 0.8333 1.1859 1.1859 1.3731 1.3731 1.8050 1.8050 2.0311 2.0311 6.2919 6.2919 7.1716 7.1716 7.5951 7.5951 7.6304 7.6304 k = 0.3211-0.4261 0.5327 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8048 -9.8048 -9.5947 -9.5947 -9.3295 -9.3295 -9.1490 -9.1490 -1.7730 -1.7730 -1.5918 -1.5918 -0.8103 -0.8103 -0.6490 -0.6490 -0.2128 -0.2128 0.3389 0.3389 0.6616 0.6616 0.8315 0.8315 1.2221 1.2221 1.3798 1.3798 1.8122 1.8122 2.0015 2.0015 6.2418 6.2418 7.2285 7.2285 7.4882 7.4882 7.6522 7.6522 k = 0.3211-0.4261 0.5327 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8048 -9.8048 -9.5947 -9.5947 -9.3295 -9.3295 -9.1490 -9.1490 -1.7730 -1.7730 -1.5918 -1.5918 -0.8103 -0.8103 -0.6490 -0.6490 -0.2128 -0.2128 0.3389 0.3389 0.6616 0.6616 0.8315 0.8315 1.2221 1.2221 1.3798 1.3798 1.8122 1.8122 2.0015 2.0015 6.2418 6.2418 7.2285 7.2285 7.4882 7.4882 7.6522 7.6522 k = 0.3323-0.4084 0.5253 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7970 -9.7970 -9.6066 -9.6066 -9.3257 -9.3257 -9.1483 -9.1483 -1.7763 -1.7763 -1.5921 -1.5921 -0.8065 -0.8065 -0.6547 -0.6547 -0.2165 -0.2165 0.3365 0.3365 0.6725 0.6725 0.8326 0.8326 1.2065 1.2065 1.3758 1.3758 1.8094 1.8094 2.0160 2.0160 6.2650 6.2650 7.2028 7.2028 7.5405 7.5405 7.6420 7.6420 k = 0.3435-0.3908 0.5179 ( 17067 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7902 -9.7902 -9.6183 -9.6183 -9.3206 -9.3206 -9.1479 -9.1479 -1.7800 -1.7800 -1.5946 -1.5946 -0.8046 -0.8046 -0.6571 -0.6571 -0.2164 -0.2164 0.3343 0.3343 0.6781 0.6781 0.8337 0.8337 1.1936 1.1936 1.3692 1.3692 1.8088 1.8088 2.0297 2.0297 6.2897 6.2897 7.1807 7.1807 7.5940 7.5940 7.6344 7.6344 k = 0.3546-0.3731 0.5105 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7843 -9.7843 -9.6296 -9.6296 -9.3143 -9.3143 -9.1479 -9.1479 -1.7837 -1.7837 -1.5995 -1.5995 -0.8036 -0.8036 -0.6576 -0.6576 -0.2119 -0.2119 0.3323 0.3323 0.6784 0.6784 0.8347 0.8347 1.1835 1.1835 1.3603 1.3603 1.8109 1.8109 2.0417 2.0417 6.3159 6.3159 7.1619 7.1619 7.6162 7.6162 7.6624 7.6624 k = 0.3658-0.3554 0.5032 ( 17071 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7792 -9.7792 -9.6405 -9.6405 -9.3071 -9.3071 -9.1483 -9.1483 -1.7874 -1.7874 -1.6065 -1.6065 -0.8026 -0.8026 -0.6575 -0.6575 -0.2028 -0.2028 0.3300 0.3300 0.6739 0.6739 0.8355 0.8355 1.1759 1.1759 1.3499 1.3499 1.8157 1.8157 2.0515 2.0515 6.3436 6.3436 7.1453 7.1453 7.6119 7.6119 7.7217 7.7217 k = 0.3770-0.3377 0.4958 ( 17079 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7748 -9.7748 -9.6511 -9.6511 -9.2989 -9.2989 -9.1492 -9.1492 -1.7908 -1.7908 -1.6155 -1.6155 -0.8009 -0.8009 -0.6578 -0.6578 -0.1893 -0.1893 0.3269 0.3269 0.6659 0.6659 0.8354 0.8354 1.1708 1.1708 1.3385 1.3385 1.8229 1.8229 2.0587 2.0587 6.3729 6.3729 7.1297 7.1297 7.6101 7.6101 7.7844 7.7844 k = 0.3882-0.3201 0.4884 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7708 -9.7708 -9.6612 -9.6612 -9.2901 -9.2901 -9.1506 -9.1506 -1.7937 -1.7937 -1.6262 -1.6262 -0.7981 -0.7981 -0.6589 -0.6589 -0.1715 -0.1715 0.3226 0.3226 0.6560 0.6560 0.8337 0.8337 1.1678 1.1678 1.3268 1.3268 1.8323 1.8323 2.0632 2.0632 6.4039 6.4039 7.1136 7.1136 7.6142 7.6142 7.8484 7.8484 k = 0.3994-0.3024 0.4811 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7673 -9.7673 -9.6709 -9.6709 -9.2808 -9.2808 -9.1525 -9.1525 -1.7959 -1.7959 -1.6384 -1.6384 -0.7942 -0.7942 -0.6611 -0.6611 -0.1500 -0.1500 0.3164 0.3164 0.6460 0.6460 0.8297 0.8297 1.1668 1.1668 1.3152 1.3152 1.8435 1.8435 2.0649 2.0649 6.4364 6.4364 7.0953 7.0953 7.6262 7.6262 7.9128 7.9128 k = 0.4106-0.2847 0.4737 ( 17073 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7641 -9.7641 -9.6801 -9.6801 -9.2711 -9.2711 -9.1549 -9.1549 -1.7971 -1.7971 -1.6516 -1.6516 -0.7890 -0.7890 -0.6645 -0.6645 -0.1253 -0.1253 0.3074 0.3074 0.6375 0.6375 0.8229 0.8229 1.1677 1.1677 1.3039 1.3039 1.8561 1.8561 2.0638 2.0638 6.4706 6.4706 7.0737 7.0737 7.6476 7.6476 7.9769 7.9769 k = 0.4217-0.2670 0.4663 ( 17077 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7610 -9.7610 -9.6888 -9.6888 -9.2612 -9.2612 -9.1580 -9.1580 -1.7973 -1.7973 -1.6657 -1.6657 -0.7826 -0.7826 -0.6689 -0.6689 -0.0980 -0.0980 0.2952 0.2952 0.6318 0.6318 0.8133 0.8133 1.1703 1.1703 1.2932 1.2932 1.8699 1.8699 2.0601 2.0601 6.5063 6.5063 7.0482 7.0482 7.6788 7.6788 8.0396 8.0396 k = 0.4329-0.2494 0.4589 ( 17089 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7579 -9.7579 -9.6969 -9.6969 -9.2513 -9.2513 -9.1616 -9.1616 -1.7963 -1.7963 -1.6803 -1.6803 -0.7753 -0.7753 -0.6742 -0.6742 -0.0687 -0.0687 0.2794 0.2794 0.6299 0.6299 0.8008 0.8008 1.1745 1.1745 1.2828 1.2828 1.8846 1.8846 2.0539 2.0539 6.5434 6.5434 7.0187 7.0187 7.7199 7.7199 8.0994 8.0994 k = 0.4441-0.2317 0.4516 ( 17095 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7548 -9.7548 -9.7046 -9.7046 -9.2414 -9.2414 -9.1659 -9.1659 -1.7939 -1.7939 -1.6949 -1.6949 -0.7671 -0.7671 -0.6804 -0.6804 -0.0379 -0.0379 0.2599 0.2599 0.6320 0.6320 0.7859 0.7859 1.1803 1.1803 1.2727 1.2727 1.9000 1.9000 2.0456 2.0456 6.5818 6.5818 6.9855 6.9855 7.7702 7.7702 8.1537 8.1537 k = 0.4553-0.2140 0.4442 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7515 -9.7515 -9.7117 -9.7117 -9.2318 -9.2318 -9.1709 -9.1709 -1.7900 -1.7900 -1.7093 -1.7093 -0.7584 -0.7584 -0.6874 -0.6874 -0.0061 -0.0061 0.2372 0.2372 0.6382 0.6382 0.7690 0.7690 1.1873 1.1873 1.2628 1.2628 1.9159 1.9159 2.0353 2.0353 6.6214 6.6214 6.9494 6.9494 7.8283 7.8283 8.1983 8.1983 k = 0.4665-0.1964 0.4368 ( 17087 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7479 -9.7479 -9.7183 -9.7183 -9.2224 -9.2224 -9.1764 -9.1764 -1.7847 -1.7847 -1.7233 -1.7233 -0.7492 -0.7492 -0.6950 -0.6950 0.0262 0.0262 0.2116 0.2116 0.6481 0.6481 0.7507 0.7507 1.1953 1.1953 1.2529 1.2529 1.9321 1.9321 2.0233 2.0233 6.6620 6.6620 6.9109 6.9109 7.8927 7.8927 8.2248 8.2248 k = 0.4776-0.1787 0.4295 ( 17099 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7440 -9.7440 -9.7244 -9.7244 -9.2135 -9.2135 -9.1827 -9.1827 -1.7778 -1.7778 -1.7365 -1.7365 -0.7398 -0.7398 -0.7032 -0.7032 0.0588 0.0588 0.1836 0.1836 0.6611 0.6611 0.7317 0.7317 1.2042 1.2042 1.2430 1.2430 1.9483 1.9483 2.0100 2.0100 6.7034 6.7034 6.8706 6.8706 7.9613 7.9613 8.2128 8.2128 k = 0.4888-0.1610 0.4221 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7398 -9.7398 -9.7300 -9.7300 -9.2049 -9.2049 -9.1895 -9.1895 -1.7695 -1.7695 -1.7487 -1.7487 -0.7304 -0.7304 -0.7119 -0.7119 0.0911 0.0911 0.1540 0.1540 0.6766 0.6766 0.7125 0.7125 1.2136 1.2136 1.2331 1.2331 1.9645 1.9645 1.9956 1.9956 6.7453 6.7453 6.8293 6.8293 8.0318 8.0318 8.1643 8.1643 k = 0.5000-0.1433 0.4147 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7351 -9.7351 -9.7351 -9.7351 -9.1969 -9.1969 -9.1969 -9.1969 -1.7597 -1.7597 -1.7597 -1.7597 -0.7210 -0.7210 -0.7210 -0.7210 0.1230 0.1230 0.1230 0.1230 0.6940 0.6940 0.6940 0.6940 1.2233 1.2233 1.2233 1.2233 1.9803 1.9803 1.9803 1.9803 6.7874 6.7874 6.7874 6.7874 8.1010 8.1010 8.1010 8.1010 k = 0.5000-0.1433 0.4147 ( 17096 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7351 -9.7351 -9.7351 -9.7351 -9.1969 -9.1969 -9.1969 -9.1969 -1.7597 -1.7597 -1.7597 -1.7597 -0.7210 -0.7210 -0.7210 -0.7210 0.1230 0.1230 0.1230 0.1230 0.6940 0.6940 0.6940 0.6940 1.2233 1.2233 1.2233 1.2233 1.9803 1.9803 1.9803 1.9803 6.7874 6.7874 6.7874 6.7874 8.1010 8.1010 8.1010 8.1010 k = 0.4907-0.1311 0.4301 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7349 -9.7349 -9.7349 -9.7349 -9.1972 -9.1972 -9.1971 -9.1971 -1.7617 -1.7617 -1.7592 -1.7592 -0.7225 -0.7225 -0.7219 -0.7219 0.1127 0.1127 0.1353 0.1353 0.6854 0.6854 0.7049 0.7049 1.2167 1.2167 1.2311 1.2311 1.9739 1.9739 1.9871 1.9871 6.7866 6.7866 6.7877 6.7877 8.0972 8.0972 8.1000 8.1000 k = 0.4815-0.1188 0.4455 ( 17102 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7343 -9.7343 -9.7343 -9.7343 -9.1978 -9.1978 -9.1978 -9.1978 -1.7651 -1.7651 -1.7602 -1.7602 -0.7264 -0.7264 -0.7251 -0.7251 0.1047 0.1047 0.1495 0.1495 0.6793 0.6793 0.7179 0.7179 1.2113 1.2113 1.2400 1.2400 1.9680 1.9680 1.9943 1.9943 6.7856 6.7856 6.7877 6.7877 8.0889 8.0889 8.0944 8.0944 k = 0.4722-0.1065 0.4609 ( 17102 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7332 -9.7332 -9.7332 -9.7332 -9.1988 -9.1988 -9.1988 -9.1988 -1.7699 -1.7699 -1.7627 -1.7627 -0.7326 -0.7326 -0.7305 -0.7305 0.0991 0.0991 0.1651 0.1651 0.6760 0.6760 0.7326 0.7326 1.2072 1.2072 1.2502 1.2502 1.9626 1.9626 2.0018 2.0018 6.7842 6.7842 6.7873 6.7873 8.0764 8.0764 8.0844 8.0844 k = 0.4630-0.0942 0.4763 ( 17114 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7318 -9.7318 -9.7317 -9.7317 -9.2003 -9.2003 -9.2003 -9.2003 -1.7759 -1.7759 -1.7665 -1.7665 -0.7411 -0.7411 -0.7382 -0.7382 0.0961 0.0961 0.1820 0.1820 0.6753 0.6753 0.7488 0.7488 1.2044 1.2044 1.2616 1.2616 1.9576 1.9576 2.0095 2.0095 6.7825 6.7825 6.7864 6.7864 8.0603 8.0603 8.0703 8.0703 k = 0.4537-0.0819 0.4918 ( 17112 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7299 -9.7299 -9.7299 -9.7299 -9.2022 -9.2022 -9.2021 -9.2021 -1.7831 -1.7831 -1.7717 -1.7717 -0.7518 -0.7518 -0.7480 -0.7480 0.0958 0.0958 0.1999 0.1999 0.6775 0.6775 0.7662 0.7662 1.2029 1.2029 1.2741 1.2741 1.9531 1.9531 2.0173 2.0173 6.7805 6.7805 6.7850 6.7850 8.0409 8.0409 8.0527 8.0527 k = 0.4444-0.0696 0.5072 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7277 -9.7277 -9.7276 -9.7276 -9.2044 -9.2044 -9.2043 -9.2043 -1.7912 -1.7912 -1.7780 -1.7780 -0.7645 -0.7645 -0.7598 -0.7598 0.0982 0.0982 0.2184 0.2184 0.6823 0.6823 0.7844 0.7844 1.2028 1.2028 1.2878 1.2878 1.9489 1.9489 2.0250 2.0250 6.7783 6.7783 6.7832 6.7832 8.0187 8.0187 8.0323 8.0323 k = 0.4352-0.0573 0.5226 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7251 -9.7251 -9.7250 -9.7250 -9.2070 -9.2070 -9.2069 -9.2069 -1.8000 -1.8000 -1.7853 -1.7853 -0.7791 -0.7791 -0.7733 -0.7733 0.1031 0.1031 0.2374 0.2374 0.6898 0.6898 0.8030 0.8030 1.2041 1.2041 1.3026 1.3026 1.9451 1.9451 2.0326 2.0326 6.7758 6.7758 6.7810 6.7810 7.9941 7.9941 8.0097 8.0097 k = 0.4259-0.0450 0.5380 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7221 -9.7221 -9.7220 -9.7220 -9.2099 -9.2099 -9.2098 -9.2098 -1.8095 -1.8095 -1.7935 -1.7935 -0.7953 -0.7953 -0.7886 -0.7886 0.1105 0.1105 0.2565 0.2565 0.6997 0.6997 0.8218 0.8218 1.2068 1.2068 1.3186 1.3186 1.9415 1.9415 2.0398 2.0398 6.7731 6.7731 6.7782 6.7782 7.9672 7.9672 7.9850 7.9850 k = 0.4167-0.0328 0.5534 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7189 -9.7189 -9.7188 -9.7188 -9.2131 -9.2131 -9.2131 -9.2131 -1.8194 -1.8194 -1.8023 -1.8023 -0.8129 -0.8129 -0.8052 -0.8052 0.1201 0.1201 0.2754 0.2754 0.7118 0.7118 0.8404 0.8404 1.2111 1.2111 1.3357 1.3357 1.9381 1.9381 2.0465 2.0465 6.7703 6.7703 6.7751 6.7751 7.9383 7.9383 7.9586 7.9586 k = 0.4074-0.0205 0.5688 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7153 -9.7153 -9.7152 -9.7152 -9.2166 -9.2166 -9.2166 -9.2166 -1.8296 -1.8296 -1.8117 -1.8117 -0.8317 -0.8317 -0.8230 -0.8230 0.1318 0.1318 0.2939 0.2939 0.7258 0.7258 0.8585 0.8585 1.2171 1.2171 1.3539 1.3539 1.9348 1.9348 2.0526 2.0526 6.7675 6.7675 6.7717 6.7717 7.9072 7.9072 7.9303 7.9303 k = 0.3981-0.0082 0.5842 ( 17098 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7116 -9.7116 -9.7115 -9.7115 -9.2204 -9.2204 -9.2203 -9.2203 -1.8398 -1.8398 -1.8214 -1.8214 -0.8512 -0.8512 -0.8417 -0.8417 0.1452 0.1452 0.3117 0.3117 0.7414 0.7414 0.8758 0.8758 1.2249 1.2249 1.3732 1.3732 1.9315 1.9315 2.0579 2.0579 6.7646 6.7646 6.7680 6.7680 7.8741 7.8741 7.9001 7.9001 k = 0.3889 0.0041 0.5996 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7076 -9.7076 -9.7075 -9.7075 -9.2243 -9.2243 -9.2242 -9.2242 -1.8499 -1.8499 -1.8313 -1.8313 -0.8713 -0.8713 -0.8611 -0.8611 0.1601 0.1601 0.3286 0.3286 0.7582 0.7582 0.8921 0.8921 1.2344 1.2344 1.3933 1.3933 1.9280 1.9280 2.0621 2.0621 6.7619 6.7619 6.7642 6.7642 7.8388 7.8388 7.8675 7.8675 k = 0.3796 0.0164 0.6150 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.7035 -9.7035 -9.7034 -9.7034 -9.2284 -9.2284 -9.2283 -9.2283 -1.8598 -1.8598 -1.8412 -1.8412 -0.8915 -0.8915 -0.8808 -0.8808 0.1761 0.1761 0.3443 0.3443 0.7758 0.7758 0.9073 0.9073 1.2460 1.2460 1.4143 1.4143 1.9244 1.9244 2.0652 2.0652 6.7595 6.7595 6.7606 6.7606 7.8017 7.8017 7.8327 7.8327 k = 0.3704 0.0287 0.6305 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6993 -9.6993 -9.6992 -9.6992 -9.2326 -9.2326 -9.2325 -9.2325 -1.8694 -1.8694 -1.8510 -1.8510 -0.9117 -0.9117 -0.9007 -0.9007 0.1930 0.1930 0.3587 0.3587 0.7939 0.7939 0.9210 0.9210 1.2595 1.2595 1.4358 1.4358 1.9206 1.9206 2.0670 2.0670 6.7571 6.7571 6.7574 6.7574 7.7629 7.7629 7.7956 7.7956 k = 0.3611 0.0410 0.6459 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6950 -9.6950 -9.6949 -9.6949 -9.2368 -9.2368 -9.2367 -9.2367 -1.8785 -1.8785 -1.8606 -1.8606 -0.9314 -0.9314 -0.9203 -0.9203 0.2105 0.2105 0.3717 0.3717 0.8121 0.8121 0.9333 0.9333 1.2751 1.2751 1.4577 1.4577 1.9166 1.9166 2.0673 2.0673 6.7540 6.7540 6.7558 6.7558 7.7230 7.7230 7.7568 7.7568 k = 0.3519 0.0532 0.6613 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6907 -9.6907 -9.6907 -9.6907 -9.2410 -9.2410 -9.2410 -9.2410 -1.8871 -1.8871 -1.8698 -1.8698 -0.9506 -0.9506 -0.9395 -0.9395 0.2283 0.2283 0.3830 0.3830 0.8299 0.8299 0.9440 0.9440 1.2927 1.2927 1.4795 1.4795 1.9126 1.9126 2.0661 2.0661 6.7515 6.7515 6.7547 6.7547 7.6826 7.6826 7.7167 7.7167 k = 0.3426 0.0655 0.6767 ( 17064 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6866 -9.6866 -9.6865 -9.6865 -9.2452 -9.2452 -9.2451 -9.2451 -1.8949 -1.8949 -1.8786 -1.8786 -0.9689 -0.9689 -0.9580 -0.9580 0.2463 0.2463 0.3927 0.3927 0.8472 0.8472 0.9531 0.9531 1.3122 1.3122 1.5008 1.5008 1.9085 1.9085 2.0633 2.0633 6.7497 6.7497 6.7542 6.7542 7.6424 7.6424 7.6760 7.6760 k = 0.3333 0.0778 0.6921 ( 17060 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6825 -9.6825 -9.6824 -9.6824 -9.2493 -9.2493 -9.2492 -9.2492 -1.9021 -1.9021 -1.8868 -1.8868 -0.9860 -0.9860 -0.9756 -0.9756 0.2641 0.2641 0.4006 0.4006 0.8636 0.8636 0.9605 0.9605 1.3335 1.3335 1.5210 1.5210 1.9048 1.9048 2.0587 2.0587 6.7487 6.7487 6.7544 6.7544 7.6030 7.6030 7.6357 7.6357 k = 0.3241 0.0901 0.7075 ( 17074 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6786 -9.6786 -9.6785 -9.6785 -9.2531 -9.2531 -9.2530 -9.2530 -1.9085 -1.9085 -1.8944 -1.8944 -1.0018 -1.0018 -0.9921 -0.9921 0.2816 0.2816 0.4067 0.4067 0.8790 0.8790 0.9663 0.9663 1.3564 1.3564 1.5395 1.5395 1.9019 1.9019 2.0525 2.0525 6.7485 6.7485 6.7551 6.7551 7.5653 7.5653 7.5963 7.5963 k = 0.3148 0.1024 0.7229 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6750 -9.6750 -9.6749 -9.6749 -9.2567 -9.2567 -9.2566 -9.2566 -1.9141 -1.9141 -1.9014 -1.9014 -1.0161 -1.0161 -1.0072 -1.0072 0.2986 0.2986 0.4109 0.4109 0.8934 0.8934 0.9706 0.9706 1.3804 1.3804 1.5553 1.5553 1.9001 1.9001 2.0445 2.0445 6.7491 6.7491 6.7564 6.7564 7.5300 7.5300 7.5588 7.5588 k = 0.3056 0.1147 0.7383 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6717 -9.6717 -9.6716 -9.6716 -9.2600 -9.2600 -9.2599 -9.2599 -1.9188 -1.9188 -1.9077 -1.9077 -1.0288 -1.0288 -1.0208 -1.0208 0.3149 0.3149 0.4134 0.4134 0.9065 0.9065 0.9733 0.9733 1.4052 1.4052 1.5676 1.5676 1.9002 1.9002 2.0349 2.0349 6.7505 6.7505 6.7581 6.7581 7.4978 7.4978 7.5239 7.5239 k = 0.2963 0.1270 0.7537 ( 17084 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6688 -9.6688 -9.6687 -9.6687 -9.2629 -9.2629 -9.2628 -9.2628 -1.9227 -1.9227 -1.9132 -1.9132 -1.0396 -1.0396 -1.0327 -1.0327 0.3304 0.3304 0.4140 0.4140 0.9185 0.9185 0.9746 0.9746 1.4304 1.4304 1.5757 1.5757 1.9027 1.9027 2.0238 2.0238 6.7526 6.7526 6.7599 6.7599 7.4694 7.4694 7.4923 7.4923 k = 0.2870 0.1393 0.7691 ( 17072 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6663 -9.6663 -9.6662 -9.6662 -9.2653 -9.2653 -9.2653 -9.2653 -1.9257 -1.9257 -1.9179 -1.9179 -1.0485 -1.0485 -1.0428 -1.0428 0.3449 0.3449 0.4128 0.4128 0.9293 0.9293 0.9744 0.9744 1.4554 1.4554 1.5788 1.5788 1.9080 1.9080 2.0113 2.0113 6.7550 6.7550 6.7617 6.7617 7.4456 7.4456 7.4648 7.4648 k = 0.2778 0.1515 0.7846 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6643 -9.6643 -9.6643 -9.6643 -9.2673 -9.2673 -9.2673 -9.2673 -1.9277 -1.9277 -1.9219 -1.9219 -1.0553 -1.0553 -1.0510 -1.0510 0.3583 0.3583 0.4098 0.4098 0.9390 0.9390 0.9730 0.9730 1.4798 1.4798 1.5768 1.5768 1.9161 1.9161 1.9976 1.9976 6.7577 6.7577 6.7632 6.7632 7.4270 7.4270 7.4419 7.4419 k = 0.2685 0.1638 0.8000 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6629 -9.6629 -9.6628 -9.6628 -9.2687 -9.2687 -9.2687 -9.2687 -1.9289 -1.9289 -1.9250 -1.9250 -1.0600 -1.0600 -1.0571 -1.0571 0.3705 0.3705 0.4051 0.4051 0.9475 0.9475 0.9702 0.9702 1.5028 1.5028 1.5698 1.5698 1.9267 1.9267 1.9832 1.9832 6.7601 6.7601 6.7641 6.7641 7.4141 7.4141 7.4243 7.4243 k = 0.2593 0.1761 0.8154 ( 17068 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6620 -9.6620 -9.6620 -9.6620 -9.2696 -9.2696 -9.2696 -9.2696 -1.9293 -1.9293 -1.9273 -1.9273 -1.0625 -1.0625 -1.0611 -1.0611 0.3814 0.3814 0.3988 0.3988 0.9549 0.9549 0.9663 0.9663 1.5241 1.5241 1.5582 1.5582 1.9394 1.9394 1.9683 1.9683 6.7622 6.7622 6.7643 6.7643 7.4072 7.4072 7.4124 7.4124 k = 0.2500 0.1884 0.8308 ( 17056 PWs) bands (ev): -98.0471 -98.0471 -98.0471 -98.0471 -9.6617 -9.6617 -9.6617 -9.6617 -9.2699 -9.2699 -9.2699 -9.2699 -1.9287 -1.9287 -1.9287 -1.9287 -1.0629 -1.0629 -1.0629 -1.0629 0.3908 0.3908 0.3908 0.3908 0.9612 0.9612 0.9612 0.9612 1.5428 1.5428 1.5428 1.5428 1.9535 1.9535 1.9535 1.9535 6.7637 6.7637 6.7637 6.7637 7.4067 7.4067 7.4067 7.4067 k = 0.1420-0.1884 0.8308 ( 17077 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7817 -9.7817 -9.5396 -9.5396 -9.2931 -9.2931 -9.2545 -9.2545 -1.8871 -1.8871 -1.8343 -1.8343 -0.9728 -0.9728 -0.7868 -0.7868 -0.0705 -0.0705 0.4355 0.4355 0.6958 0.6958 1.0789 1.0789 1.3668 1.3668 1.5189 1.5189 1.8753 1.8753 2.1015 2.1015 6.6002 6.6002 6.8383 6.8383 7.6588 7.6588 7.8477 7.8477 k = 0.1514-0.2009 0.8151 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7814 -9.7814 -9.5437 -9.5437 -9.2972 -9.2972 -9.2476 -9.2476 -1.8704 -1.8704 -1.8268 -1.8268 -0.9674 -0.9674 -0.7806 -0.7806 -0.0857 -0.0857 0.4537 0.4537 0.6862 0.6862 1.0628 1.0628 1.3500 1.3500 1.5173 1.5173 1.8677 1.8677 2.0960 2.0960 6.5730 6.5730 6.8519 6.8519 7.6399 7.6399 7.8477 7.8477 k = 0.1608-0.2134 0.7994 ( 17091 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7817 -9.7817 -9.5479 -9.5479 -9.3010 -9.3010 -9.2403 -9.2403 -1.8529 -1.8529 -1.8194 -1.8194 -0.9613 -0.9613 -0.7725 -0.7725 -0.1015 -0.1015 0.4711 0.4711 0.6759 0.6759 1.0454 1.0454 1.3349 1.3349 1.5140 1.5140 1.8597 1.8597 2.0894 2.0894 6.5461 6.5461 6.8676 6.8676 7.6217 7.6218 7.8375 7.8375 k = 0.1703-0.2259 0.7837 ( 17084 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7825 -9.7825 -9.5521 -9.5521 -9.3045 -9.3045 -9.2327 -9.2327 -1.8351 -1.8351 -1.8118 -1.8118 -0.9546 -0.9546 -0.7625 -0.7625 -0.1177 -0.1177 0.4871 0.4871 0.6647 0.6647 1.0270 1.0270 1.3216 1.3216 1.5088 1.5088 1.8517 1.8517 2.0820 2.0820 6.5195 6.5195 6.8852 6.8852 7.6055 7.6055 7.8221 7.8221 k = 0.1797-0.2384 0.7680 ( 17076 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7836 -9.7836 -9.5563 -9.5563 -9.3078 -9.3078 -9.2250 -9.2250 -1.8187 -1.8187 -1.8024 -1.8024 -0.9472 -0.9472 -0.7508 -0.7508 -0.1342 -0.1342 0.5014 0.5014 0.6526 0.6526 1.0084 1.0084 1.3099 1.3099 1.5016 1.5016 1.8443 1.8443 2.0740 2.0740 6.4933 6.4933 6.9045 6.9045 7.5918 7.5918 7.8037 7.8037 k = 0.1891-0.2510 0.7523 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7851 -9.7851 -9.5605 -9.5605 -9.3108 -9.3108 -9.2171 -9.2171 -1.8076 -1.8076 -1.7877 -1.7877 -0.9393 -0.9393 -0.7376 -0.7376 -0.1505 -0.1505 0.5133 0.5133 0.6399 0.6399 0.9900 0.9900 1.2998 1.2998 1.4923 1.4923 1.8376 1.8376 2.0657 2.0657 6.4676 6.4676 6.9253 6.9253 7.5810 7.5810 7.7837 7.7837 k = 0.1985-0.2635 0.7366 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7867 -9.7867 -9.5646 -9.5646 -9.3135 -9.3135 -9.2093 -9.2093 -1.8007 -1.8007 -1.7691 -1.7691 -0.9308 -0.9308 -0.7234 -0.7234 -0.1664 -0.1664 0.5216 0.5216 0.6278 0.6278 0.9722 0.9722 1.2910 1.2910 1.4812 1.4812 1.8319 1.8319 2.0573 2.0573 6.4424 6.4424 6.9473 6.9473 7.5734 7.5734 7.7625 7.7625 k = 0.2080-0.2760 0.7210 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7886 -9.7886 -9.5685 -9.5685 -9.3160 -9.3160 -9.2017 -9.2017 -1.7955 -1.7955 -1.7491 -1.7491 -0.9217 -0.9217 -0.7087 -0.7087 -0.1815 -0.1815 0.5245 0.5245 0.6180 0.6180 0.9552 0.9552 1.2832 1.2832 1.4688 1.4688 1.8272 1.8272 2.0491 2.0491 6.4177 6.4177 6.9704 6.9704 7.5690 7.5690 7.7405 7.7405 k = 0.2174-0.2885 0.7053 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7906 -9.7906 -9.5723 -9.5723 -9.3182 -9.3182 -9.1942 -9.1942 -1.7911 -1.7911 -1.7289 -1.7289 -0.9120 -0.9120 -0.6939 -0.6939 -0.1954 -0.1954 0.5198 0.5198 0.6130 0.6130 0.9392 0.9392 1.2762 1.2762 1.4556 1.4556 1.8235 1.8235 2.0412 2.0412 6.3938 6.3938 6.9944 6.9944 7.5678 7.5678 7.7179 7.7179 k = 0.2268-0.3010 0.6896 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7926 -9.7926 -9.5759 -9.5759 -9.3203 -9.3203 -9.1871 -9.1871 -1.7875 -1.7875 -1.7090 -1.7090 -0.9018 -0.9018 -0.6797 -0.6797 -0.2075 -0.2075 0.5072 0.5072 0.6133 0.6133 0.9241 0.9241 1.2697 1.2697 1.4423 1.4423 1.8206 1.8206 2.0339 2.0339 6.3708 6.3708 7.0191 7.0191 7.5696 7.5696 7.6948 7.6948 k = 0.2363-0.3135 0.6739 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7945 -9.7945 -9.5792 -9.5792 -9.3221 -9.3221 -9.1804 -9.1804 -1.7843 -1.7843 -1.6896 -1.6896 -0.8911 -0.8911 -0.6669 -0.6669 -0.2174 -0.2174 0.4890 0.4890 0.6175 0.6175 0.9098 0.9098 1.2634 1.2634 1.4295 1.4295 1.8184 1.8184 2.0273 2.0273 6.3489 6.3489 7.0444 7.0444 7.5741 7.5741 7.6714 7.6714 k = 0.2457-0.3260 0.6582 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7964 -9.7964 -9.5823 -9.5823 -9.3237 -9.3237 -9.1742 -9.1742 -1.7817 -1.7817 -1.6713 -1.6713 -0.8800 -0.8800 -0.6562 -0.6562 -0.2246 -0.2246 0.4674 0.4674 0.6235 0.6235 0.8963 0.8963 1.2572 1.2572 1.4178 1.4178 1.8168 1.8168 2.0214 2.0214 6.3284 6.3284 7.0701 7.0701 7.5805 7.5805 7.6480 7.6480 k = 0.2551-0.3385 0.6425 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7982 -9.7982 -9.5851 -9.5851 -9.3251 -9.3251 -9.1686 -9.1686 -1.7795 -1.7795 -1.6542 -1.6542 -0.8685 -0.8685 -0.6481 -0.6481 -0.2289 -0.2289 0.4444 0.4444 0.6303 0.6303 0.8836 0.8836 1.2510 1.2510 1.4076 1.4076 1.8155 1.8155 2.0164 2.0164 6.3095 6.3095 7.0961 7.0961 7.5871 7.5871 7.6259 7.6259 k = 0.2645-0.3510 0.6268 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.7999 -9.7999 -9.5876 -9.5876 -9.3262 -9.3262 -9.1635 -9.1635 -1.7776 -1.7776 -1.6386 -1.6386 -0.8569 -0.8569 -0.6430 -0.6430 -0.2302 -0.2302 0.4214 0.4214 0.6371 0.6371 0.8716 0.8716 1.2449 1.2449 1.3991 1.3991 1.8145 1.8145 2.0121 2.0121 6.2924 6.2924 7.1220 7.1220 7.5850 7.5850 7.6137 7.6137 k = 0.2740-0.3635 0.6111 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8013 -9.8013 -9.5897 -9.5897 -9.3272 -9.3272 -9.1592 -9.1592 -1.7762 -1.7762 -1.6249 -1.6249 -0.8455 -0.8455 -0.6408 -0.6408 -0.2288 -0.2288 0.3994 0.3994 0.6436 0.6436 0.8607 0.8607 1.2389 1.2389 1.3924 1.3924 1.8138 1.8138 2.0087 2.0087 6.2775 6.2775 7.1474 7.1474 7.5665 7.5665 7.6187 7.6187 k = 0.2834-0.3761 0.5954 ( 17085 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8025 -9.8025 -9.5915 -9.5915 -9.3281 -9.3281 -9.1556 -9.1556 -1.7750 -1.7750 -1.6133 -1.6133 -0.8347 -0.8347 -0.6411 -0.6411 -0.2254 -0.2254 0.3795 0.3795 0.6495 0.6495 0.8510 0.8510 1.2334 1.2334 1.3874 1.3874 1.8132 1.8132 2.0060 2.0060 6.2650 6.2650 7.1716 7.1716 7.5441 7.5441 7.6282 7.6282 k = 0.2928-0.3886 0.5797 ( 17081 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8035 -9.8035 -9.5928 -9.5928 -9.3287 -9.3287 -9.1527 -9.1527 -1.7741 -1.7741 -1.6041 -1.6041 -0.8250 -0.8250 -0.6432 -0.6432 -0.2211 -0.2211 0.3626 0.3626 0.6545 0.6545 0.8428 0.8428 1.2287 1.2287 1.3839 1.3839 1.8127 1.8127 2.0040 2.0040 6.2550 6.2550 7.1936 7.1936 7.5228 7.5228 7.6376 7.6376 k = 0.3023-0.4011 0.5640 ( 17080 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8042 -9.8042 -9.5938 -9.5938 -9.3291 -9.3291 -9.1507 -9.1507 -1.7735 -1.7735 -1.5973 -1.5973 -0.8172 -0.8172 -0.6459 -0.6459 -0.2169 -0.2169 0.3497 0.3497 0.6584 0.6584 0.8367 0.8367 1.2252 1.2252 1.3815 1.3815 1.8124 1.8124 2.0026 2.0026 6.2477 6.2477 7.2118 7.2118 7.5048 7.5048 7.6454 7.6454 k = 0.3117-0.4136 0.5484 ( 17078 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8046 -9.8046 -9.5944 -9.5944 -9.3294 -9.3294 -9.1494 -9.1494 -1.7731 -1.7731 -1.5932 -1.5932 -0.8121 -0.8121 -0.6481 -0.6481 -0.2139 -0.2139 0.3416 0.3416 0.6608 0.6608 0.8328 0.8328 1.2229 1.2229 1.3802 1.3802 1.8122 1.8122 2.0018 2.0018 6.2433 6.2433 7.2241 7.2241 7.4926 7.4926 7.6504 7.6504 k = 0.3211-0.4261 0.5327 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8048 -9.8048 -9.5947 -9.5947 -9.3295 -9.3295 -9.1490 -9.1490 -1.7730 -1.7730 -1.5918 -1.5918 -0.8103 -0.8103 -0.6490 -0.6490 -0.2128 -0.2128 0.3389 0.3389 0.6616 0.6616 0.8315 0.8315 1.2221 1.2221 1.3798 1.3798 1.8122 1.8122 2.0015 2.0015 6.2418 6.2418 7.2285 7.2285 7.4882 7.4882 7.6522 7.6522 k = 0.6789 0.1394 0.2968 ( 17062 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8048 -9.8048 -9.5947 -9.5947 -9.3295 -9.3295 -9.1490 -9.1490 -1.7730 -1.7730 -1.5918 -1.5918 -0.8103 -0.8103 -0.6490 -0.6490 -0.2128 -0.2128 0.3389 0.3389 0.6616 0.6616 0.8315 0.8315 1.2221 1.2221 1.3798 1.3798 1.8122 1.8122 2.0015 2.0015 6.2418 6.2418 7.2285 7.2285 7.4882 7.4882 7.6522 7.6522 k = 0.6695 0.1519 0.2811 ( 17070 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8221 -9.8221 -9.5693 -9.5693 -9.3361 -9.3361 -9.1508 -9.1508 -1.7665 -1.7665 -1.5955 -1.5955 -0.8246 -0.8246 -0.6260 -0.6260 -0.1992 -0.1992 0.3440 0.3440 0.6338 0.6338 0.8278 0.8278 1.2574 1.2574 1.3841 1.3841 1.8203 1.8203 1.9694 1.9694 6.1966 6.1966 7.2882 7.2882 7.3843 7.3843 7.6695 7.6695 k = 0.6601 0.1644 0.2655 ( 17088 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8387 -9.8387 -9.5445 -9.5445 -9.3425 -9.3425 -9.1527 -9.1527 -1.7602 -1.7602 -1.6030 -1.6030 -0.8425 -0.8425 -0.5935 -0.5935 -0.1818 -0.1818 0.3489 0.3489 0.6068 0.6068 0.8227 0.8227 1.2901 1.2901 1.3871 1.3871 1.8289 1.8289 1.9356 1.9356 6.1560 6.1560 7.2790 7.2790 7.3578 7.3578 7.6768 7.6768 k = 0.6506 0.1769 0.2499 ( 17094 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8546 -9.8546 -9.5203 -9.5203 -9.3487 -9.3487 -9.1545 -9.1545 -1.7542 -1.7542 -1.6142 -1.6142 -0.8601 -0.8601 -0.5551 -0.5551 -0.1614 -0.1614 0.3536 0.3536 0.5806 0.5806 0.8162 0.8162 1.3166 1.3166 1.3916 1.3916 1.8367 1.8367 1.9017 1.9017 6.1201 6.1201 7.1863 7.1863 7.4229 7.4229 7.6727 7.6727 k = 0.6412 0.1894 0.2343 ( 17090 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8698 -9.8698 -9.4969 -9.4969 -9.3546 -9.3546 -9.1562 -9.1562 -1.7486 -1.7486 -1.6289 -1.6289 -0.8752 -0.8752 -0.5126 -0.5126 -0.1386 -0.1386 0.3583 0.3583 0.5554 0.5554 0.8085 0.8085 1.3308 1.3308 1.4028 1.4028 1.8386 1.8386 1.8734 1.8734 6.0888 6.0888 7.0980 7.0980 7.4907 7.4907 7.6584 7.6584 k = 0.6318 0.2019 0.2187 ( 17086 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8842 -9.8842 -9.4744 -9.4744 -9.3603 -9.3603 -9.1579 -9.1579 -1.7436 -1.7436 -1.6464 -1.6464 -0.8871 -0.8871 -0.4668 -0.4668 -0.1139 -0.1139 0.3631 0.3631 0.5312 0.5312 0.8000 0.8000 1.3302 1.3302 1.4218 1.4218 1.8195 1.8195 1.8669 1.8669 6.0620 6.0620 7.0157 7.0157 7.5571 7.5571 7.6369 7.6369 k = 0.6224 0.2144 0.2030 ( 17084 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.8977 -9.8977 -9.4528 -9.4528 -9.3658 -9.3658 -9.1595 -9.1595 -1.7393 -1.7393 -1.6661 -1.6661 -0.8958 -0.8958 -0.4184 -0.4184 -0.0877 -0.0877 0.3680 0.3680 0.5080 0.5080 0.7907 0.7907 1.3193 1.3193 1.4427 1.4427 1.7914 1.7914 1.8721 1.8721 6.0396 6.0396 6.9395 6.9395 7.5933 7.5933 7.6354 7.6354 k = 0.6130 0.2269 0.1874 ( 17082 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9104 -9.9104 -9.4323 -9.4323 -9.3709 -9.3709 -9.1611 -9.1611 -1.7363 -1.7363 -1.6866 -1.6866 -0.9014 -0.9014 -0.3677 -0.3677 -0.0603 -0.0603 0.3730 0.3730 0.4858 0.4858 0.7808 0.7808 1.3014 1.3014 1.4601 1.4601 1.7668 1.7668 1.8784 1.8784 6.0216 6.0216 6.8696 6.8696 7.5562 7.5562 7.6162 7.6162 k = 0.6036 0.2394 0.1718 ( 17100 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9222 -9.9222 -9.4131 -9.4131 -9.3757 -9.3757 -9.1626 -9.1626 -1.7370 -1.7370 -1.7049 -1.7049 -0.9045 -0.9045 -0.3152 -0.3152 -0.0323 -0.0323 0.3780 0.3780 0.4647 0.4647 0.7705 0.7705 1.2777 1.2777 1.4711 1.4711 1.7499 1.7499 1.8842 1.8842 6.0075 6.0075 6.8060 6.8060 7.4905 7.4905 7.5659 7.5659 k = 0.5942 0.2519 0.1562 ( 17118 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9331 -9.9331 -9.3951 -9.3951 -9.3801 -9.3801 -9.1640 -9.1640 -1.7475 -1.7475 -1.7142 -1.7142 -0.9054 -0.9054 -0.2611 -0.2611 -0.0039 -0.0039 0.3828 0.3828 0.4446 0.4446 0.7599 0.7599 1.2487 1.2487 1.4740 1.4740 1.7426 1.7426 1.8890 1.8890 5.9974 5.9974 6.7488 6.7488 7.4134 7.4134 7.5303 7.5303 k = 0.5847 0.2644 0.1406 ( 17122 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9430 -9.9430 -9.3842 -9.3842 -9.3785 -9.3785 -9.1652 -9.1652 -1.7663 -1.7663 -1.7150 -1.7150 -0.9048 -0.9048 -0.2058 -0.2058 0.0246 0.0246 0.3872 0.3872 0.4256 0.4256 0.7490 0.7490 1.2150 1.2150 1.4698 1.4698 1.7445 1.7445 1.8925 1.8925 5.9907 5.9907 6.6978 6.6978 7.3368 7.3368 7.4997 7.4997 k = 0.5753 0.2768 0.1249 ( 17132 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9520 -9.9520 -9.3879 -9.3879 -9.3634 -9.3634 -9.1664 -9.1664 -1.7870 -1.7870 -1.7135 -1.7135 -0.9031 -0.9031 -0.1497 -0.1497 0.0527 0.0527 0.3907 0.3907 0.4076 0.4076 0.7380 0.7380 1.1774 1.1774 1.4605 1.4605 1.7533 1.7533 1.8947 1.8947 5.9872 5.9872 6.6529 6.6529 7.2641 7.2641 7.4721 7.4721 k = 0.5659 0.2893 0.1093 ( 17130 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9599 -9.9599 -9.3912 -9.3912 -9.3498 -9.3498 -9.1675 -9.1675 -1.8069 -1.8069 -1.7116 -1.7116 -0.9006 -0.9006 -0.0932 -0.0932 0.0800 0.0800 0.3874 0.3874 0.3963 0.3963 0.7270 0.7270 1.1374 1.1374 1.4487 1.4487 1.7665 1.7665 1.8956 1.8956 5.9864 5.9864 6.6140 6.6140 7.1967 7.1967 7.4473 7.4473 k = 0.5565 0.3018 0.0937 ( 17140 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9668 -9.9668 -9.3941 -9.3941 -9.3379 -9.3379 -9.1684 -9.1684 -1.8253 -1.8253 -1.7098 -1.7098 -0.8979 -0.8979 -0.0371 -0.0371 0.1062 0.1062 0.3715 0.3715 0.3968 0.3968 0.7160 0.7160 1.0967 1.0967 1.4365 1.4365 1.7818 1.7818 1.8952 1.8952 5.9878 5.9878 6.5809 6.5809 7.1355 7.1355 7.4256 7.4256 k = 0.5471 0.3143 0.0781 ( 17150 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9727 -9.9727 -9.3966 -9.3966 -9.3277 -9.3277 -9.1692 -9.1692 -1.8415 -1.8415 -1.7082 -1.7082 -0.8951 -0.8951 0.0181 0.0181 0.1307 0.1307 0.3549 0.3549 0.3967 0.3967 0.7052 0.7052 1.0571 1.0571 1.4248 1.4248 1.7976 1.7976 1.8934 1.8934 5.9907 5.9907 6.5534 6.5534 7.0815 7.0815 7.4070 7.4070 k = 0.5377 0.3268 0.0625 ( 17142 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9776 -9.9776 -9.3986 -9.3986 -9.3192 -9.3192 -9.1699 -9.1699 -1.8552 -1.8552 -1.7068 -1.7068 -0.8924 -0.8924 0.0714 0.0714 0.1531 0.1531 0.3381 0.3381 0.3948 0.3948 0.6948 0.6948 1.0207 1.0207 1.4146 1.4146 1.8130 1.8130 1.8904 1.8904 5.9945 5.9945 6.5312 6.5312 7.0357 7.0357 7.3916 7.3916 k = 0.5282 0.3393 0.0469 ( 17148 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9813 -9.9813 -9.4002 -9.4002 -9.3126 -9.3126 -9.1704 -9.1704 -1.8661 -1.8661 -1.7057 -1.7057 -0.8902 -0.8902 0.1215 0.1215 0.1727 0.1727 0.3206 0.3206 0.3909 0.3909 0.6854 0.6854 0.9897 0.9897 1.4063 1.4063 1.8275 1.8275 1.8861 1.8861 5.9985 5.9985 6.5143 6.5143 6.9987 6.9987 7.3795 7.3795 k = 0.5188 0.3518 0.0312 ( 17152 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9841 -9.9841 -9.4014 -9.4014 -9.3079 -9.3079 -9.1708 -9.1708 -1.8740 -1.8740 -1.7050 -1.7050 -0.8885 -0.8885 0.1666 0.1666 0.1886 0.1886 0.3018 0.3018 0.3857 0.3857 0.6776 0.6776 0.9661 0.9661 1.4002 1.4002 1.8405 1.8405 1.8805 1.8805 6.0020 6.0020 6.5023 6.5023 6.9716 6.9716 7.3708 7.3708 k = 0.5094 0.3643 0.0156 ( 17170 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9857 -9.9857 -9.4021 -9.4021 -9.3050 -9.3050 -9.1710 -9.1710 -1.8788 -1.8788 -1.7045 -1.7045 -0.8875 -0.8875 0.1964 0.1964 0.2074 0.2074 0.2814 0.2814 0.3809 0.3809 0.6724 0.6724 0.9513 0.9513 1.3964 1.3964 1.8515 1.8515 1.8740 1.8740 6.0043 6.0043 6.4952 6.4952 6.9551 6.9551 7.3656 7.3656 k = 0.5000 0.3768 0.0000 ( 17174 PWs) bands (ev): -98.0471 -98.0471 -98.0470 -98.0470 -9.9862 -9.9862 -9.4023 -9.4023 -9.3041 -9.3041 -9.1711 -9.1711 -1.8804 -1.8804 -1.7044 -1.7044 -0.8871 -0.8871 0.2011 0.2011 0.2267 0.2267 0.2674 0.2674 0.3789 0.3789 0.6706 0.6706 0.9462 0.9462 1.3951 1.3951 1.8576 1.8576 1.8694 1.8694 6.0051 6.0051 6.4928 6.4928 6.9495 6.9495 7.3639 7.3639 Writing output data file BeI2.save init_run : 1.23s CPU 1.49s WALL ( 1 calls) electrons : 531.01s CPU 535.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.28s WALL ( 1 calls) Called by electrons: c_bands : 531.01s CPU 535.03s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.18s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.11s WALL ( 296 calls) cegterg : 486.92s CPU 490.22s WALL ( 481 calls) Called by sum_band: Called by *egterg: h_psi : 380.15s CPU 383.53s WALL ( 7863 calls) s_psi : 6.77s CPU 6.89s WALL ( 7863 calls) g_psi : 0.42s CPU 0.41s WALL ( 7086 calls) cdiaghg : 97.69s CPU 97.89s WALL ( 7382 calls) cegterg:over : 14.94s CPU 14.89s WALL ( 7086 calls) cegterg:upda : 11.49s CPU 11.61s WALL ( 7086 calls) cegterg:last : 6.53s CPU 6.47s WALL ( 1324 calls) cdiaghg:chol : 3.89s CPU 3.92s WALL ( 7382 calls) cdiaghg:inve : 1.61s CPU 1.63s WALL ( 7382 calls) cdiaghg:para : 6.64s CPU 6.68s WALL ( 14764 calls) Called by h_psi: h_psi:vloc : 362.36s CPU 365.63s WALL ( 7863 calls) h_psi:vnl : 17.34s CPU 17.50s WALL ( 7863 calls) add_vuspsi : 7.90s CPU 8.03s WALL ( 7863 calls) General routines calbec : 9.40s CPU 9.45s WALL ( 7863 calls) fft : 0.06s CPU 0.07s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 344.62s CPU 347.86s WALL ( 664960 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.30s CPU 0.33s WALL ( 592 calls) Parallel routines fft_scatter : 204.42s CPU 206.62s WALL ( 664983 calls) PWSCF : 9m45.05s CPU 10m11.69s WALL This run was terminated on: 0:18:26 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=