Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 5:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 53 15 1267 1267 191 Max 54 54 16 1269 1269 194 Sum 1913 1913 547 45631 45631 6913 bravais-lattice index = 14 lattice parameter (alat) = 7.6883 a.u. unit-cell volume = 323.5221 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.688323 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.597129 celldm(5)= -0.294959 celldm(6)= -0.107912 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.107912 0.994160 0.000000 ) a(3) = ( -0.294959 -0.632653 0.716065 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.108546 0.507818 ) b(2) = ( 0.000000 1.005874 0.888703 ) b(3) = ( 0.000000 0.000000 1.396521 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 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= 468 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( -0.0057603 0.0051689 0.0102385), wk = 0.0021368 k( 3) = ( -0.0115207 0.0103378 0.0204769), wk = 0.0021368 k( 4) = ( -0.0172810 0.0155067 0.0307154), wk = 0.0021368 k( 5) = ( -0.0230413 0.0206756 0.0409538), wk = 0.0021368 k( 6) = ( -0.0288017 0.0258446 0.0511923), wk = 0.0021368 k( 7) = ( -0.0345620 0.0310135 0.0614307), wk = 0.0021368 k( 8) = ( -0.0403223 0.0361824 0.0716692), wk = 0.0021368 k( 9) = ( -0.0460827 0.0413513 0.0819076), wk = 0.0021368 k( 10) = ( -0.0518430 0.0465202 0.0921461), wk = 0.0021368 k( 11) = ( -0.0576034 0.0516891 0.1023845), wk = 0.0021368 k( 12) = ( -0.0633637 0.0568580 0.1126230), wk = 0.0021368 k( 13) = ( -0.0691240 0.0620269 0.1228615), wk = 0.0021368 k( 14) = ( -0.0748844 0.0671958 0.1330999), wk = 0.0021368 k( 15) = ( -0.0806447 0.0723647 0.1433384), wk = 0.0021368 k( 16) = ( -0.0864050 0.0775336 0.1535768), wk = 0.0021368 k( 17) = ( -0.0921654 0.0827026 0.1638153), wk = 0.0021368 k( 18) = ( -0.0979257 0.0878715 0.1740537), wk = 0.0021368 k( 19) = ( -0.1036860 0.0930404 0.1842922), wk = 0.0021368 k( 20) = ( -0.1094464 0.0982093 0.1945306), wk = 0.0021368 k( 21) = ( -0.1152067 0.1033782 0.2047691), wk = 0.0021368 k( 22) = ( -0.1209671 0.1085471 0.2150075), wk = 0.0021368 k( 23) = ( -0.1267274 0.1137160 0.2252460), wk = 0.0021368 k( 24) = ( -0.1324877 0.1188849 0.2354844), wk = 0.0021368 k( 25) = ( -0.1382481 0.1240538 0.2457229), wk = 0.0021368 k( 26) = ( -0.1440084 0.1292227 0.2559613), wk = 0.0021368 k( 27) = ( -0.1497687 0.1343917 0.2661998), wk = 0.0021368 k( 28) = ( -0.1555291 0.1395606 0.2764383), wk = 0.0021368 k( 29) = ( -0.1612894 0.1447295 0.2866767), wk = 0.0021368 k( 30) = ( -0.1670497 0.1498984 0.2969152), wk = 0.0021368 k( 31) = ( -0.1728101 0.1550673 0.3071536), wk = 0.0021368 k( 32) = ( -0.1785704 0.1602362 0.3173921), wk = 0.0021368 k( 33) = ( -0.1843307 0.1654051 0.3276305), wk = 0.0021368 k( 34) = ( -0.1900911 0.1705740 0.3378690), wk = 0.0021368 k( 35) = ( -0.1958514 0.1757429 0.3481074), wk = 0.0021368 k( 36) = ( -0.2016118 0.1809118 0.3583459), wk = 0.0021368 k( 37) = ( -0.2073721 0.1860807 0.3685843), wk = 0.0021368 k( 38) = ( -0.2131324 0.1912497 0.3788228), wk = 0.0021368 k( 39) = ( -0.2188927 0.1964186 0.3890612), wk = 0.0021368 k( 40) = ( -0.2246531 0.2015875 0.3992997), wk = 0.0021368 k( 41) = ( -0.2304134 0.2067564 0.4095381), wk = 0.0021368 k( 42) = ( -0.2361738 0.2119253 0.4197766), wk = 0.0021368 k( 43) = ( -0.2419341 0.2170942 0.4300151), wk = 0.0021368 k( 44) = ( -0.2476944 0.2222631 0.4402535), wk = 0.0021368 k( 45) = ( -0.2534548 0.2274320 0.4504920), wk = 0.0021368 k( 46) = ( -0.2592151 0.2326009 0.4607304), wk = 0.0021368 k( 47) = ( -0.2649754 0.2377698 0.4709689), wk = 0.0021368 k( 48) = ( -0.2707358 0.2429388 0.4812073), wk = 0.0021368 k( 49) = ( -0.2764961 0.2481077 0.4914458), wk = 0.0021368 k( 50) = ( -0.2822564 0.2532766 0.5016842), wk = 0.0021368 k( 51) = ( -0.2880168 0.2584455 0.5119227), wk = 0.0021368 k( 52) = ( -0.2937771 0.2636144 0.5221612), wk = 0.0021368 k( 53) = ( -0.2995374 0.2687833 0.5323996), wk = 0.0021368 k( 54) = ( -0.3052978 0.2739522 0.5426381), wk = 0.0021368 k( 55) = ( -0.3110581 0.2791211 0.5528765), wk = 0.0021368 k( 56) = ( -0.3168185 0.2842900 0.5631150), wk = 0.0021368 k( 57) = ( -0.3225788 0.2894589 0.5733534), wk = 0.0021368 k( 58) = ( -0.3283391 0.2946279 0.5835919), wk = 0.0021368 k( 59) = ( -0.3340995 0.2997968 0.5938303), wk = 0.0021368 k( 60) = ( -0.3398598 0.3049657 0.6040688), wk = 0.0021368 k( 61) = ( -0.3456201 0.3101346 0.6143072), wk = 0.0021368 k( 62) = ( -0.3513805 0.3153035 0.6245457), wk = 0.0021368 k( 63) = ( -0.3571408 0.3204724 0.6347841), wk = 0.0021368 k( 64) = ( -0.3629011 0.3256413 0.6450226), wk = 0.0021368 k( 65) = ( -0.3629011 0.3256413 0.6450226), wk = 0.0021368 k( 66) = ( -0.3554128 0.3189218 0.6526280), wk = 0.0021368 k( 67) = ( -0.3479245 0.3122024 0.6602334), wk = 0.0021368 k( 68) = ( -0.3404362 0.3054829 0.6678388), wk = 0.0021368 k( 69) = ( -0.3329479 0.2987634 0.6754442), wk = 0.0021368 k( 70) = ( -0.3254595 0.2920439 0.6830496), wk = 0.0021368 k( 71) = ( -0.3179712 0.2853244 0.6906550), wk = 0.0021368 k( 72) = ( -0.3104829 0.2786050 0.6982605), wk = 0.0021368 k( 73) = ( -0.3104829 0.2786050 0.6982605), wk = 0.0021368 k( 74) = ( -0.3010743 0.2701624 0.6982605), wk = 0.0021368 k( 75) = ( -0.2916658 0.2617198 0.6982605), wk = 0.0021368 k( 76) = ( -0.2822572 0.2532772 0.6982605), wk = 0.0021368 k( 77) = ( -0.2728486 0.2448347 0.6982605), wk = 0.0021368 k( 78) = ( -0.2634400 0.2363921 0.6982604), wk = 0.0021368 k( 79) = ( -0.2540315 0.2279495 0.6982604), wk = 0.0021368 k( 80) = ( -0.2446229 0.2195069 0.6982604), wk = 0.0021368 k( 81) = ( -0.2352143 0.2110644 0.6982604), wk = 0.0021368 k( 82) = ( -0.2258057 0.2026218 0.6982604), wk = 0.0021368 k( 83) = ( -0.2163972 0.1941792 0.6982604), wk = 0.0021368 k( 84) = ( -0.2069886 0.1857366 0.6982605), wk = 0.0021368 k( 85) = ( -0.1975800 0.1772941 0.6982605), wk = 0.0021368 k( 86) = ( -0.1881714 0.1688515 0.6982605), wk = 0.0021368 k( 87) = ( -0.1787629 0.1604089 0.6982605), wk = 0.0021368 k( 88) = ( -0.1693543 0.1519663 0.6982605), wk = 0.0021368 k( 89) = ( -0.1599457 0.1435238 0.6982605), wk = 0.0021368 k( 90) = ( -0.1505372 0.1350812 0.6982604), wk = 0.0021368 k( 91) = ( -0.1411286 0.1266386 0.6982604), wk = 0.0021368 k( 92) = ( -0.1317200 0.1181960 0.6982604), wk = 0.0021368 k( 93) = ( -0.1223115 0.1097535 0.6982604), wk = 0.0021368 k( 94) = ( -0.1129029 0.1013109 0.6982604), wk = 0.0021368 k( 95) = ( -0.1034943 0.0928683 0.6982604), wk = 0.0021368 k( 96) = ( -0.0940857 0.0844257 0.6982605), wk = 0.0021368 k( 97) = ( -0.0846772 0.0759832 0.6982605), wk = 0.0021368 k( 98) = ( -0.0752686 0.0675406 0.6982605), wk = 0.0021368 k( 99) = ( -0.0658600 0.0590980 0.6982605), wk = 0.0021368 k( 100) = ( -0.0564514 0.0506555 0.6982605), wk = 0.0021368 k( 101) = ( -0.0470429 0.0422129 0.6982604), wk = 0.0021368 k( 102) = ( -0.0376343 0.0337703 0.6982604), wk = 0.0021368 k( 103) = ( -0.0282257 0.0253277 0.6982604), wk = 0.0021368 k( 104) = ( -0.0188172 0.0168852 0.6982604), wk = 0.0021368 k( 105) = ( -0.0094086 0.0084426 0.6982604), wk = 0.0021368 k( 106) = ( 0.0000000 0.0000000 0.6982604), wk = 0.0021368 k( 107) = ( 0.0000000 0.0000000 0.6982604), wk = 0.0021368 k( 108) = ( 0.0086207 0.0096071 0.6982604), wk = 0.0021368 k( 109) = ( 0.0172414 0.0192141 0.6982604), wk = 0.0021368 k( 110) = ( 0.0258621 0.0288212 0.6982604), wk = 0.0021368 k( 111) = ( 0.0344828 0.0384283 0.6982604), wk = 0.0021368 k( 112) = ( 0.0431035 0.0480353 0.6982604), wk = 0.0021368 k( 113) = ( 0.0517241 0.0576424 0.6982604), wk = 0.0021368 k( 114) = ( 0.0603448 0.0672495 0.6982604), wk = 0.0021368 k( 115) = ( 0.0689655 0.0768565 0.6982604), wk = 0.0021368 k( 116) = ( 0.0775862 0.0864636 0.6982604), wk = 0.0021368 k( 117) = ( 0.0862069 0.0960707 0.6982604), wk = 0.0021368 k( 118) = ( 0.0948276 0.1056777 0.6982604), wk = 0.0021368 k( 119) = ( 0.1034483 0.1152848 0.6982604), wk = 0.0021368 k( 120) = ( 0.1120690 0.1248919 0.6982604), wk = 0.0021368 k( 121) = ( 0.1206897 0.1344990 0.6982604), wk = 0.0021368 k( 122) = ( 0.1293103 0.1441060 0.6982604), wk = 0.0021368 k( 123) = ( 0.1379310 0.1537131 0.6982604), wk = 0.0021368 k( 124) = ( 0.1465517 0.1633201 0.6982604), wk = 0.0021368 k( 125) = ( 0.1551724 0.1729272 0.6982604), wk = 0.0021368 k( 126) = ( 0.1637931 0.1825343 0.6982604), wk = 0.0021368 k( 127) = ( 0.1724138 0.1921413 0.6982604), wk = 0.0021368 k( 128) = ( 0.1810345 0.2017484 0.6982604), wk = 0.0021368 k( 129) = ( 0.1896552 0.2113555 0.6982604), wk = 0.0021368 k( 130) = ( 0.1982759 0.2209626 0.6982604), wk = 0.0021368 k( 131) = ( 0.2068966 0.2305696 0.6982604), wk = 0.0021368 k( 132) = ( 0.2155172 0.2401767 0.6982604), wk = 0.0021368 k( 133) = ( 0.2241379 0.2497838 0.6982604), wk = 0.0021368 k( 134) = ( 0.2327586 0.2593908 0.6982604), wk = 0.0021368 k( 135) = ( 0.2413793 0.2689979 0.6982604), wk = 0.0021368 k( 136) = ( 0.2500000 0.2786050 0.6982604), wk = 0.0021368 k( 137) = ( 0.2500000 0.2786050 0.6982604), wk = 0.0021368 k( 138) = ( 0.2424242 0.2854029 0.6905662), wk = 0.0021368 k( 139) = ( 0.2348485 0.2922008 0.6828720), wk = 0.0021368 k( 140) = ( 0.2272727 0.2989988 0.6751778), wk = 0.0021368 k( 141) = ( 0.2196970 0.3057967 0.6674836), wk = 0.0021368 k( 142) = ( 0.2121212 0.3125947 0.6597894), wk = 0.0021368 k( 143) = ( 0.2045454 0.3193926 0.6520952), wk = 0.0021368 k( 144) = ( 0.1969697 0.3261905 0.6444010), wk = 0.0021368 k( 145) = ( 0.1893939 0.3329885 0.6367068), wk = 0.0021368 k( 146) = ( 0.1818182 0.3397864 0.6290125), wk = 0.0021368 k( 147) = ( 0.1742424 0.3465844 0.6213183), wk = 0.0021368 k( 148) = ( 0.1666667 0.3533823 0.6136241), wk = 0.0021368 k( 149) = ( 0.1590909 0.3601802 0.6059299), wk = 0.0021368 k( 150) = ( 0.1515151 0.3669782 0.5982357), wk = 0.0021368 k( 151) = ( 0.1439394 0.3737761 0.5905415), wk = 0.0021368 k( 152) = ( 0.1363636 0.3805740 0.5828473), wk = 0.0021368 k( 153) = ( 0.1287879 0.3873720 0.5751531), wk = 0.0021368 k( 154) = ( 0.1212121 0.3941699 0.5674588), wk = 0.0021368 k( 155) = ( 0.1136364 0.4009679 0.5597646), wk = 0.0021368 k( 156) = ( 0.1060606 0.4077658 0.5520704), wk = 0.0021368 k( 157) = ( 0.0984848 0.4145637 0.5443762), wk = 0.0021368 k( 158) = ( 0.0909091 0.4213617 0.5366820), wk = 0.0021368 k( 159) = ( 0.0833333 0.4281596 0.5289878), wk = 0.0021368 k( 160) = ( 0.0757576 0.4349575 0.5212936), wk = 0.0021368 k( 161) = ( 0.0681818 0.4417555 0.5135994), wk = 0.0021368 k( 162) = ( 0.0606061 0.4485534 0.5059051), wk = 0.0021368 k( 163) = ( 0.0530303 0.4553514 0.4982109), wk = 0.0021368 k( 164) = ( 0.0454546 0.4621493 0.4905167), wk = 0.0021368 k( 165) = ( 0.0378788 0.4689472 0.4828225), wk = 0.0021368 k( 166) = ( 0.0303030 0.4757452 0.4751283), wk = 0.0021368 k( 167) = ( 0.0227273 0.4825431 0.4674341), wk = 0.0021368 k( 168) = ( 0.0151515 0.4893411 0.4597399), wk = 0.0021368 k( 169) = ( 0.0075758 0.4961390 0.4520457), wk = 0.0021368 k( 170) = ( 0.0000000 0.5029369 0.4443514), wk = 0.0021368 k( 171) = ( 0.0000000 0.5029369 0.4443514), wk = 0.0021368 k( 172) = ( 0.0103686 0.5080025 0.4386180), wk = 0.0021368 k( 173) = ( 0.0207372 0.5130681 0.4328845), wk = 0.0021368 k( 174) = ( 0.0311058 0.5181337 0.4271511), wk = 0.0021368 k( 175) = ( 0.0414744 0.5231993 0.4214176), wk = 0.0021368 k( 176) = ( 0.0518430 0.5282649 0.4156841), wk = 0.0021368 k( 177) = ( 0.0622116 0.5333305 0.4099507), wk = 0.0021368 k( 178) = ( 0.0725802 0.5383961 0.4042172), wk = 0.0021368 k( 179) = ( 0.0829488 0.5434616 0.3984838), wk = 0.0021368 k( 180) = ( 0.0933174 0.5485272 0.3927503), wk = 0.0021368 k( 181) = ( 0.1036860 0.5535928 0.3870168), wk = 0.0021368 k( 182) = ( 0.1140546 0.5586584 0.3812834), wk = 0.0021368 k( 183) = ( 0.1244232 0.5637240 0.3755499), wk = 0.0021368 k( 184) = ( 0.1347918 0.5687896 0.3698164), wk = 0.0021368 k( 185) = ( 0.1451605 0.5738552 0.3640830), wk = 0.0021368 k( 186) = ( 0.1555291 0.5789208 0.3583495), wk = 0.0021368 k( 187) = ( 0.1658977 0.5839864 0.3526161), wk = 0.0021368 k( 188) = ( 0.1762663 0.5890519 0.3468826), wk = 0.0021368 k( 189) = ( 0.1866349 0.5941175 0.3411491), wk = 0.0021368 k( 190) = ( 0.1970035 0.5991831 0.3354157), wk = 0.0021368 k( 191) = ( 0.2073721 0.6042487 0.3296822), wk = 0.0021368 k( 192) = ( 0.2177407 0.6093143 0.3239488), wk = 0.0021368 k( 193) = ( 0.2281093 0.6143799 0.3182153), wk = 0.0021368 k( 194) = ( 0.2384779 0.6194455 0.3124818), wk = 0.0021368 k( 195) = ( 0.2488465 0.6245111 0.3067484), wk = 0.0021368 k( 196) = ( 0.2592151 0.6295767 0.3010149), wk = 0.0021368 k( 197) = ( 0.2695837 0.6346422 0.2952814), wk = 0.0021368 k( 198) = ( 0.2799523 0.6397078 0.2895480), wk = 0.0021368 k( 199) = ( 0.2903209 0.6447734 0.2838145), wk = 0.0021368 k( 200) = ( 0.3006895 0.6498390 0.2780811), wk = 0.0021368 k( 201) = ( 0.3110581 0.6549046 0.2723476), wk = 0.0021368 k( 202) = ( 0.3214267 0.6599702 0.2666141), wk = 0.0021368 k( 203) = ( 0.3317953 0.6650358 0.2608807), wk = 0.0021368 k( 204) = ( 0.3421639 0.6701014 0.2551472), wk = 0.0021368 k( 205) = ( 0.3525325 0.6751670 0.2494138), wk = 0.0021368 k( 206) = ( 0.3629011 0.6802326 0.2436803), wk = 0.0021368 k( 207) = ( 0.3629011 0.6802326 0.2436803), wk = 0.0021368 k( 208) = ( 0.3686136 0.6751066 0.2335269), wk = 0.0021368 k( 209) = ( 0.3743261 0.6699807 0.2233736), wk = 0.0021368 k( 210) = ( 0.3800385 0.6648547 0.2132203), wk = 0.0021368 k( 211) = ( 0.3857509 0.6597288 0.2030669), wk = 0.0021368 k( 212) = ( 0.3914634 0.6546028 0.1929136), wk = 0.0021368 k( 213) = ( 0.3971759 0.6494769 0.1827602), wk = 0.0021368 k( 214) = ( 0.4028883 0.6443510 0.1726069), wk = 0.0021368 k( 215) = ( 0.4086008 0.6392250 0.1624535), wk = 0.0021368 k( 216) = ( 0.4143132 0.6340991 0.1523002), wk = 0.0021368 k( 217) = ( 0.4200257 0.6289731 0.1421468), wk = 0.0021368 k( 218) = ( 0.4257381 0.6238472 0.1319935), wk = 0.0021368 k( 219) = ( 0.4314506 0.6187212 0.1218402), wk = 0.0021368 k( 220) = ( 0.4371630 0.6135953 0.1116868), wk = 0.0021368 k( 221) = ( 0.4428755 0.6084693 0.1015335), wk = 0.0021368 k( 222) = ( 0.4485879 0.6033434 0.0913801), wk = 0.0021368 k( 223) = ( 0.4543004 0.5982175 0.0812268), wk = 0.0021368 k( 224) = ( 0.4600128 0.5930915 0.0710734), wk = 0.0021368 k( 225) = ( 0.4657253 0.5879656 0.0609201), wk = 0.0021368 k( 226) = ( 0.4714377 0.5828396 0.0507667), wk = 0.0021368 k( 227) = ( 0.4771502 0.5777137 0.0406134), wk = 0.0021368 k( 228) = ( 0.4828626 0.5725878 0.0304600), wk = 0.0021368 k( 229) = ( 0.4885751 0.5674618 0.0203067), wk = 0.0021368 k( 230) = ( 0.4942876 0.5623359 0.0101533), wk = 0.0021368 k( 231) = ( 0.5000000 0.5572099 -0.0000000), wk = 0.0021368 k( 232) = ( 0.5000000 0.5572099 -0.0000000), wk = 0.0021368 k( 233) = ( 0.4913793 0.5476029 -0.0000000), wk = 0.0021368 k( 234) = ( 0.4827586 0.5379958 -0.0000000), wk = 0.0021368 k( 235) = ( 0.4741379 0.5283887 -0.0000000), wk = 0.0021368 k( 236) = ( 0.4655172 0.5187817 -0.0000000), wk = 0.0021368 k( 237) = ( 0.4568966 0.5091746 -0.0000000), wk = 0.0021368 k( 238) = ( 0.4482759 0.4995675 -0.0000000), wk = 0.0021368 k( 239) = ( 0.4396552 0.4899604 -0.0000000), wk = 0.0021368 k( 240) = ( 0.4310345 0.4803534 -0.0000000), wk = 0.0021368 k( 241) = ( 0.4224138 0.4707463 -0.0000000), wk = 0.0021368 k( 242) = ( 0.4137931 0.4611392 -0.0000000), wk = 0.0021368 k( 243) = ( 0.4051724 0.4515322 -0.0000000), wk = 0.0021368 k( 244) = ( 0.3965517 0.4419251 -0.0000000), wk = 0.0021368 k( 245) = ( 0.3879310 0.4323180 -0.0000000), wk = 0.0021368 k( 246) = ( 0.3793103 0.4227110 -0.0000000), wk = 0.0021368 k( 247) = ( 0.3706897 0.4131039 -0.0000000), wk = 0.0021368 k( 248) = ( 0.3620690 0.4034968 -0.0000000), wk = 0.0021368 k( 249) = ( 0.3534483 0.3938898 -0.0000000), wk = 0.0021368 k( 250) = ( 0.3448276 0.3842827 -0.0000000), wk = 0.0021368 k( 251) = ( 0.3362069 0.3746756 -0.0000000), wk = 0.0021368 k( 252) = ( 0.3275862 0.3650686 -0.0000000), wk = 0.0021368 k( 253) = ( 0.3189655 0.3554615 -0.0000000), wk = 0.0021368 k( 254) = ( 0.3103448 0.3458544 -0.0000000), wk = 0.0021368 k( 255) = ( 0.3017241 0.3362474 -0.0000000), wk = 0.0021368 k( 256) = ( 0.2931034 0.3266403 -0.0000000), wk = 0.0021368 k( 257) = ( 0.2844828 0.3170332 -0.0000000), wk = 0.0021368 k( 258) = ( 0.2758621 0.3074262 -0.0000000), wk = 0.0021368 k( 259) = ( 0.2672414 0.2978191 -0.0000000), wk = 0.0021368 k( 260) = ( 0.2586207 0.2882120 -0.0000000), wk = 0.0021368 k( 261) = ( 0.2500000 0.2786050 -0.0000000), wk = 0.0021368 k( 262) = ( 0.2413793 0.2689979 -0.0000000), wk = 0.0021368 k( 263) = ( 0.2327586 0.2593908 -0.0000000), wk = 0.0021368 k( 264) = ( 0.2241379 0.2497838 -0.0000000), wk = 0.0021368 k( 265) = ( 0.2155172 0.2401767 -0.0000000), wk = 0.0021368 k( 266) = ( 0.2068966 0.2305696 -0.0000000), wk = 0.0021368 k( 267) = ( 0.1982759 0.2209626 -0.0000000), wk = 0.0021368 k( 268) = ( 0.1896552 0.2113555 -0.0000000), wk = 0.0021368 k( 269) = ( 0.1810345 0.2017484 -0.0000000), wk = 0.0021368 k( 270) = ( 0.1724138 0.1921413 -0.0000000), wk = 0.0021368 k( 271) = ( 0.1637931 0.1825343 -0.0000000), wk = 0.0021368 k( 272) = ( 0.1551724 0.1729272 -0.0000000), wk = 0.0021368 k( 273) = ( 0.1465517 0.1633201 -0.0000000), wk = 0.0021368 k( 274) = ( 0.1379310 0.1537131 -0.0000000), wk = 0.0021368 k( 275) = ( 0.1293103 0.1441060 -0.0000000), wk = 0.0021368 k( 276) = ( 0.1206897 0.1344990 -0.0000000), wk = 0.0021368 k( 277) = ( 0.1120690 0.1248919 -0.0000000), wk = 0.0021368 k( 278) = ( 0.1034483 0.1152848 -0.0000000), wk = 0.0021368 k( 279) = ( 0.0948276 0.1056777 -0.0000000), wk = 0.0021368 k( 280) = ( 0.0862069 0.0960707 -0.0000000), wk = 0.0021368 k( 281) = ( 0.0775862 0.0864636 -0.0000000), wk = 0.0021368 k( 282) = ( 0.0689655 0.0768565 -0.0000000), wk = 0.0021368 k( 283) = ( 0.0603448 0.0672495 -0.0000000), wk = 0.0021368 k( 284) = ( 0.0517241 0.0576424 -0.0000000), wk = 0.0021368 k( 285) = ( 0.0431035 0.0480353 -0.0000000), wk = 0.0021368 k( 286) = ( 0.0344828 0.0384283 -0.0000000), wk = 0.0021368 k( 287) = ( 0.0258621 0.0288212 -0.0000000), wk = 0.0021368 k( 288) = ( 0.0172414 0.0192141 -0.0000000), wk = 0.0021368 k( 289) = ( 0.0086207 0.0096071 -0.0000000), wk = 0.0021368 k( 290) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 291) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 292) = ( 0.0075861 -0.0068072 0.0077047), wk = 0.0021368 k( 293) = ( 0.0151723 -0.0136145 0.0154095), wk = 0.0021368 k( 294) = ( 0.0227584 -0.0204217 0.0231142), wk = 0.0021368 k( 295) = ( 0.0303445 -0.0272290 0.0308190), wk = 0.0021368 k( 296) = ( 0.0379307 -0.0340362 0.0385237), wk = 0.0021368 k( 297) = ( 0.0455168 -0.0408435 0.0462285), wk = 0.0021368 k( 298) = ( 0.0531029 -0.0476507 0.0539332), wk = 0.0021368 k( 299) = ( 0.0606891 -0.0544580 0.0616380), wk = 0.0021368 k( 300) = ( 0.0682752 -0.0612652 0.0693427), wk = 0.0021368 k( 301) = ( 0.0758613 -0.0680725 0.0770475), wk = 0.0021368 k( 302) = ( 0.0834475 -0.0748797 0.0847522), wk = 0.0021368 k( 303) = ( 0.0910336 -0.0816870 0.0924570), wk = 0.0021368 k( 304) = ( 0.0986197 -0.0884942 0.1001617), wk = 0.0021368 k( 305) = ( 0.1062058 -0.0953015 0.1078665), wk = 0.0021368 k( 306) = ( 0.1137920 -0.1021087 0.1155712), wk = 0.0021368 k( 307) = ( 0.1213781 -0.1089160 0.1232760), wk = 0.0021368 k( 308) = ( 0.1289642 -0.1157232 0.1309807), wk = 0.0021368 k( 309) = ( 0.1365504 -0.1225305 0.1386855), wk = 0.0021368 k( 310) = ( 0.1441365 -0.1293377 0.1463902), wk = 0.0021368 k( 311) = ( 0.1517226 -0.1361449 0.1540950), wk = 0.0021368 k( 312) = ( 0.1593088 -0.1429522 0.1617997), wk = 0.0021368 k( 313) = ( 0.1668949 -0.1497594 0.1695045), wk = 0.0021368 k( 314) = ( 0.1744810 -0.1565667 0.1772092), wk = 0.0021368 k( 315) = ( 0.1820672 -0.1633739 0.1849140), wk = 0.0021368 k( 316) = ( 0.1896533 -0.1701812 0.1926187), wk = 0.0021368 k( 317) = ( 0.1972394 -0.1769884 0.2003235), wk = 0.0021368 k( 318) = ( 0.2048255 -0.1837957 0.2080282), wk = 0.0021368 k( 319) = ( 0.2124117 -0.1906029 0.2157330), wk = 0.0021368 k( 320) = ( 0.2199978 -0.1974102 0.2234377), wk = 0.0021368 k( 321) = ( 0.2275839 -0.2042174 0.2311424), wk = 0.0021368 k( 322) = ( 0.2351701 -0.2110247 0.2388472), wk = 0.0021368 k( 323) = ( 0.2427562 -0.2178319 0.2465519), wk = 0.0021368 k( 324) = ( 0.2503423 -0.2246392 0.2542567), wk = 0.0021368 k( 325) = ( 0.2579285 -0.2314464 0.2619614), wk = 0.0021368 k( 326) = ( 0.2655146 -0.2382537 0.2696662), wk = 0.0021368 k( 327) = ( 0.2731007 -0.2450609 0.2773709), wk = 0.0021368 k( 328) = ( 0.2806869 -0.2518681 0.2850757), wk = 0.0021368 k( 329) = ( 0.2882730 -0.2586754 0.2927804), wk = 0.0021368 k( 330) = ( 0.2958591 -0.2654826 0.3004852), wk = 0.0021368 k( 331) = ( 0.3034453 -0.2722899 0.3081899), wk = 0.0021368 k( 332) = ( 0.3110314 -0.2790971 0.3158947), wk = 0.0021368 k( 333) = ( 0.3186175 -0.2859044 0.3235994), wk = 0.0021368 k( 334) = ( 0.3262037 -0.2927116 0.3313042), wk = 0.0021368 k( 335) = ( 0.3337898 -0.2995189 0.3390089), wk = 0.0021368 k( 336) = ( 0.3413759 -0.3063261 0.3467137), wk = 0.0021368 k( 337) = ( 0.3489621 -0.3131334 0.3544184), wk = 0.0021368 k( 338) = ( 0.3565482 -0.3199406 0.3621232), wk = 0.0021368 k( 339) = ( 0.3641343 -0.3267479 0.3698279), wk = 0.0021368 k( 340) = ( 0.3717204 -0.3335551 0.3775327), wk = 0.0021368 k( 341) = ( 0.3793066 -0.3403624 0.3852374), wk = 0.0021368 k( 342) = ( 0.3868927 -0.3471696 0.3929422), wk = 0.0021368 k( 343) = ( 0.3944788 -0.3539769 0.4006469), wk = 0.0021368 k( 344) = ( 0.4020650 -0.3607841 0.4083517), wk = 0.0021368 k( 345) = ( 0.4096511 -0.3675914 0.4160564), wk = 0.0021368 k( 346) = ( 0.4172372 -0.3743986 0.4237612), wk = 0.0021368 k( 347) = ( 0.4248234 -0.3812058 0.4314659), wk = 0.0021368 k( 348) = ( 0.4324095 -0.3880131 0.4391707), wk = 0.0021368 k( 349) = ( 0.4399956 -0.3948203 0.4468754), wk = 0.0021368 k( 350) = ( 0.4475818 -0.4016276 0.4545802), wk = 0.0021368 k( 351) = ( 0.4475818 -0.4016276 0.4545802), wk = 0.0021368 k( 352) = ( 0.4489258 -0.3899378 0.4494347), wk = 0.0021368 k( 353) = ( 0.4502699 -0.3782481 0.4442893), wk = 0.0021368 k( 354) = ( 0.4516139 -0.3665583 0.4391439), wk = 0.0021368 k( 355) = ( 0.4529580 -0.3548685 0.4339985), wk = 0.0021368 k( 356) = ( 0.4543020 -0.3431788 0.4288531), wk = 0.0021368 k( 357) = ( 0.4556461 -0.3314890 0.4237077), wk = 0.0021368 k( 358) = ( 0.4569902 -0.3197993 0.4185623), wk = 0.0021368 k( 359) = ( 0.4583342 -0.3081095 0.4134168), wk = 0.0021368 k( 360) = ( 0.4596783 -0.2964198 0.4082714), wk = 0.0021368 k( 361) = ( 0.4610223 -0.2847300 0.4031260), wk = 0.0021368 k( 362) = ( 0.4623664 -0.2730402 0.3979806), wk = 0.0021368 k( 363) = ( 0.4637104 -0.2613505 0.3928352), wk = 0.0021368 k( 364) = ( 0.4650545 -0.2496607 0.3876898), wk = 0.0021368 k( 365) = ( 0.4663986 -0.2379710 0.3825444), wk = 0.0021368 k( 366) = ( 0.4677426 -0.2262812 0.3773989), wk = 0.0021368 k( 367) = ( 0.4690867 -0.2145915 0.3722535), wk = 0.0021368 k( 368) = ( 0.4704307 -0.2029017 0.3671081), wk = 0.0021368 k( 369) = ( 0.4717748 -0.1912119 0.3619627), wk = 0.0021368 k( 370) = ( 0.4731188 -0.1795222 0.3568173), wk = 0.0021368 k( 371) = ( 0.4744629 -0.1678324 0.3516719), wk = 0.0021368 k( 372) = ( 0.4758070 -0.1561427 0.3465265), wk = 0.0021368 k( 373) = ( 0.4771510 -0.1444529 0.3413810), wk = 0.0021368 k( 374) = ( 0.4784951 -0.1327631 0.3362356), wk = 0.0021368 k( 375) = ( 0.4798391 -0.1210734 0.3310902), wk = 0.0021368 k( 376) = ( 0.4811832 -0.1093836 0.3259448), wk = 0.0021368 k( 377) = ( 0.4825273 -0.0976939 0.3207994), wk = 0.0021368 k( 378) = ( 0.4838713 -0.0860041 0.3156540), wk = 0.0021368 k( 379) = ( 0.4852154 -0.0743144 0.3105086), wk = 0.0021368 k( 380) = ( 0.4865594 -0.0626246 0.3053631), wk = 0.0021368 k( 381) = ( 0.4879035 -0.0509348 0.3002177), wk = 0.0021368 k( 382) = ( 0.4892475 -0.0392451 0.2950723), wk = 0.0021368 k( 383) = ( 0.4905916 -0.0275553 0.2899269), wk = 0.0021368 k( 384) = ( 0.4919357 -0.0158656 0.2847815), wk = 0.0021368 k( 385) = ( 0.4932797 -0.0041758 0.2796361), wk = 0.0021368 k( 386) = ( 0.4946238 0.0075140 0.2744907), wk = 0.0021368 k( 387) = ( 0.4959678 0.0192037 0.2693452), wk = 0.0021368 k( 388) = ( 0.4973119 0.0308935 0.2641998), wk = 0.0021368 k( 389) = ( 0.4986559 0.0425832 0.2590544), wk = 0.0021368 k( 390) = ( 0.5000000 0.0542730 0.2539090), wk = 0.0021368 k( 391) = ( 0.5000000 0.0542730 0.2539090), wk = 0.0021368 k( 392) = ( 0.4943182 0.0593714 0.2640079), wk = 0.0021368 k( 393) = ( 0.4886364 0.0644699 0.2741068), wk = 0.0021368 k( 394) = ( 0.4829545 0.0695683 0.2842057), wk = 0.0021368 k( 395) = ( 0.4772727 0.0746668 0.2943046), wk = 0.0021368 k( 396) = ( 0.4715909 0.0797653 0.3044035), wk = 0.0021368 k( 397) = ( 0.4659091 0.0848637 0.3145024), wk = 0.0021368 k( 398) = ( 0.4602273 0.0899622 0.3246013), wk = 0.0021368 k( 399) = ( 0.4545455 0.0950606 0.3347002), wk = 0.0021368 k( 400) = ( 0.4488636 0.1001591 0.3447991), wk = 0.0021368 k( 401) = ( 0.4431818 0.1052575 0.3548980), wk = 0.0021368 k( 402) = ( 0.4375000 0.1103560 0.3649969), wk = 0.0021368 k( 403) = ( 0.4318182 0.1154544 0.3750958), wk = 0.0021368 k( 404) = ( 0.4261364 0.1205529 0.3851947), wk = 0.0021368 k( 405) = ( 0.4204545 0.1256513 0.3952935), wk = 0.0021368 k( 406) = ( 0.4147727 0.1307498 0.4053924), wk = 0.0021368 k( 407) = ( 0.4090909 0.1358483 0.4154913), wk = 0.0021368 k( 408) = ( 0.4034091 0.1409467 0.4255902), wk = 0.0021368 k( 409) = ( 0.3977273 0.1460452 0.4356891), wk = 0.0021368 k( 410) = ( 0.3920455 0.1511436 0.4457880), wk = 0.0021368 k( 411) = ( 0.3863636 0.1562421 0.4558869), wk = 0.0021368 k( 412) = ( 0.3806818 0.1613405 0.4659858), wk = 0.0021368 k( 413) = ( 0.3750000 0.1664390 0.4760847), wk = 0.0021368 k( 414) = ( 0.3693182 0.1715374 0.4861836), wk = 0.0021368 k( 415) = ( 0.3636364 0.1766359 0.4962825), wk = 0.0021368 k( 416) = ( 0.3579545 0.1817343 0.5063814), wk = 0.0021368 k( 417) = ( 0.3522727 0.1868328 0.5164803), wk = 0.0021368 k( 418) = ( 0.3465909 0.1919312 0.5265792), wk = 0.0021368 k( 419) = ( 0.3409091 0.1970297 0.5366781), wk = 0.0021368 k( 420) = ( 0.3352273 0.2021282 0.5467770), wk = 0.0021368 k( 421) = ( 0.3295455 0.2072266 0.5568759), wk = 0.0021368 k( 422) = ( 0.3238636 0.2123251 0.5669748), wk = 0.0021368 k( 423) = ( 0.3181818 0.2174235 0.5770737), wk = 0.0021368 k( 424) = ( 0.3125000 0.2225220 0.5871726), wk = 0.0021368 k( 425) = ( 0.3068182 0.2276204 0.5972715), wk = 0.0021368 k( 426) = ( 0.3011364 0.2327189 0.6073704), wk = 0.0021368 k( 427) = ( 0.2954545 0.2378173 0.6174693), wk = 0.0021368 k( 428) = ( 0.2897727 0.2429158 0.6275682), wk = 0.0021368 k( 429) = ( 0.2840909 0.2480142 0.6376671), wk = 0.0021368 k( 430) = ( 0.2784091 0.2531127 0.6477660), wk = 0.0021368 k( 431) = ( 0.2727273 0.2582111 0.6578649), wk = 0.0021368 k( 432) = ( 0.2670455 0.2633096 0.6679638), wk = 0.0021368 k( 433) = ( 0.2613636 0.2684081 0.6780626), wk = 0.0021368 k( 434) = ( 0.2556818 0.2735065 0.6881615), wk = 0.0021368 k( 435) = ( 0.2500000 0.2786050 0.6982604), wk = 0.0021368 k( 436) = ( 0.3104829 -0.2786050 0.6982604), wk = 0.0021368 k( 437) = ( 0.3161953 -0.2837309 0.6881071), wk = 0.0021368 k( 438) = ( 0.3219078 -0.2888568 0.6779538), wk = 0.0021368 k( 439) = ( 0.3276203 -0.2939828 0.6678004), wk = 0.0021368 k( 440) = ( 0.3333327 -0.2991087 0.6576471), wk = 0.0021368 k( 441) = ( 0.3390452 -0.3042347 0.6474937), wk = 0.0021368 k( 442) = ( 0.3447576 -0.3093606 0.6373404), wk = 0.0021368 k( 443) = ( 0.3504701 -0.3144866 0.6271870), wk = 0.0021368 k( 444) = ( 0.3561825 -0.3196125 0.6170337), wk = 0.0021368 k( 445) = ( 0.3618950 -0.3247384 0.6068803), wk = 0.0021368 k( 446) = ( 0.3676074 -0.3298644 0.5967270), wk = 0.0021368 k( 447) = ( 0.3733199 -0.3349903 0.5865737), wk = 0.0021368 k( 448) = ( 0.3790323 -0.3401163 0.5764203), wk = 0.0021368 k( 449) = ( 0.3847448 -0.3452422 0.5662670), wk = 0.0021368 k( 450) = ( 0.3904572 -0.3503682 0.5561136), wk = 0.0021368 k( 451) = ( 0.3961697 -0.3554941 0.5459603), wk = 0.0021368 k( 452) = ( 0.4018821 -0.3606200 0.5358069), wk = 0.0021368 k( 453) = ( 0.4075946 -0.3657460 0.5256536), wk = 0.0021368 k( 454) = ( 0.4133070 -0.3708719 0.5155002), wk = 0.0021368 k( 455) = ( 0.4190195 -0.3759979 0.5053469), wk = 0.0021368 k( 456) = ( 0.4247320 -0.3811238 0.4951935), wk = 0.0021368 k( 457) = ( 0.4304444 -0.3862498 0.4850402), wk = 0.0021368 k( 458) = ( 0.4361568 -0.3913757 0.4748868), wk = 0.0021368 k( 459) = ( 0.4418693 -0.3965016 0.4647335), wk = 0.0021368 k( 460) = ( 0.4475818 -0.4016276 0.4545802), wk = 0.0021368 k( 461) = ( 0.5524182 0.5101736 0.0532379), wk = 0.0021368 k( 462) = ( 0.5449299 0.5168931 0.0456324), wk = 0.0021368 k( 463) = ( 0.5374416 0.5236125 0.0380270), wk = 0.0021368 k( 464) = ( 0.5299533 0.5303320 0.0304216), wk = 0.0021368 k( 465) = ( 0.5224650 0.5370515 0.0228162), wk = 0.0021368 k( 466) = ( 0.5149766 0.5437710 0.0152108), wk = 0.0021368 k( 467) = ( 0.5074883 0.5504904 0.0076054), wk = 0.0021368 k( 468) = ( 0.5000000 0.5572099 -0.0000000), wk = 0.0021368 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( -0.0057603 0.0057603 0.0057603), wk = 0.0021368 k( 3) = ( -0.0115207 0.0115207 0.0115207), wk = 0.0021368 k( 4) = ( -0.0172810 0.0172810 0.0172810), wk = 0.0021368 k( 5) = ( -0.0230413 0.0230413 0.0230413), wk = 0.0021368 k( 6) = ( -0.0288017 0.0288017 0.0288017), wk = 0.0021368 k( 7) = ( -0.0345620 0.0345620 0.0345620), wk = 0.0021368 k( 8) = ( -0.0403223 0.0403223 0.0403223), wk = 0.0021368 k( 9) = ( -0.0460827 0.0460827 0.0460827), wk = 0.0021368 k( 10) = ( -0.0518430 0.0518430 0.0518430), wk = 0.0021368 k( 11) = ( -0.0576034 0.0576034 0.0576034), wk = 0.0021368 k( 12) = ( -0.0633637 0.0633637 0.0633637), wk = 0.0021368 k( 13) = ( -0.0691240 0.0691240 0.0691240), wk = 0.0021368 k( 14) = ( -0.0748844 0.0748844 0.0748844), wk = 0.0021368 k( 15) = ( -0.0806447 0.0806447 0.0806447), wk = 0.0021368 k( 16) = ( -0.0864050 0.0864050 0.0864050), wk = 0.0021368 k( 17) = ( -0.0921654 0.0921654 0.0921654), wk = 0.0021368 k( 18) = ( -0.0979257 0.0979257 0.0979257), wk = 0.0021368 k( 19) = ( -0.1036860 0.1036860 0.1036860), wk = 0.0021368 k( 20) = ( -0.1094464 0.1094464 0.1094464), wk = 0.0021368 k( 21) = ( -0.1152067 0.1152067 0.1152067), wk = 0.0021368 k( 22) = ( -0.1209671 0.1209671 0.1209671), wk = 0.0021368 k( 23) = ( -0.1267274 0.1267274 0.1267274), wk = 0.0021368 k( 24) = ( -0.1324877 0.1324877 0.1324877), wk = 0.0021368 k( 25) = ( -0.1382481 0.1382481 0.1382481), wk = 0.0021368 k( 26) = ( -0.1440084 0.1440084 0.1440084), wk = 0.0021368 k( 27) = ( -0.1497687 0.1497687 0.1497687), wk = 0.0021368 k( 28) = ( -0.1555291 0.1555291 0.1555291), wk = 0.0021368 k( 29) = ( -0.1612894 0.1612894 0.1612894), wk = 0.0021368 k( 30) = ( -0.1670497 0.1670497 0.1670497), wk = 0.0021368 k( 31) = ( -0.1728101 0.1728101 0.1728101), wk = 0.0021368 k( 32) = ( -0.1785704 0.1785704 0.1785704), wk = 0.0021368 k( 33) = ( -0.1843307 0.1843307 0.1843307), wk = 0.0021368 k( 34) = ( -0.1900911 0.1900911 0.1900911), wk = 0.0021368 k( 35) = ( -0.1958514 0.1958514 0.1958514), wk = 0.0021368 k( 36) = ( -0.2016118 0.2016118 0.2016118), wk = 0.0021368 k( 37) = ( -0.2073721 0.2073721 0.2073721), wk = 0.0021368 k( 38) = ( -0.2131324 0.2131324 0.2131324), wk = 0.0021368 k( 39) = ( -0.2188927 0.2188927 0.2188928), wk = 0.0021368 k( 40) = ( -0.2246531 0.2246531 0.2246531), wk = 0.0021368 k( 41) = ( -0.2304134 0.2304134 0.2304134), wk = 0.0021368 k( 42) = ( -0.2361738 0.2361738 0.2361738), wk = 0.0021368 k( 43) = ( -0.2419341 0.2419341 0.2419341), wk = 0.0021368 k( 44) = ( -0.2476944 0.2476944 0.2476944), wk = 0.0021368 k( 45) = ( -0.2534548 0.2534548 0.2534548), wk = 0.0021368 k( 46) = ( -0.2592151 0.2592151 0.2592151), wk = 0.0021368 k( 47) = ( -0.2649754 0.2649754 0.2649754), wk = 0.0021368 k( 48) = ( -0.2707358 0.2707358 0.2707358), wk = 0.0021368 k( 49) = ( -0.2764961 0.2764961 0.2764961), wk = 0.0021368 k( 50) = ( -0.2822564 0.2822565 0.2822565), wk = 0.0021368 k( 51) = ( -0.2880168 0.2880168 0.2880168), wk = 0.0021368 k( 52) = ( -0.2937771 0.2937771 0.2937771), wk = 0.0021368 k( 53) = ( -0.2995374 0.2995374 0.2995375), wk = 0.0021368 k( 54) = ( -0.3052978 0.3052978 0.3052978), wk = 0.0021368 k( 55) = ( -0.3110581 0.3110581 0.3110581), wk = 0.0021368 k( 56) = ( -0.3168185 0.3168185 0.3168185), wk = 0.0021368 k( 57) = ( -0.3225788 0.3225788 0.3225788), wk = 0.0021368 k( 58) = ( -0.3283391 0.3283391 0.3283391), wk = 0.0021368 k( 59) = ( -0.3340995 0.3340995 0.3340995), wk = 0.0021368 k( 60) = ( -0.3398598 0.3398598 0.3398598), wk = 0.0021368 k( 61) = ( -0.3456201 0.3456201 0.3456201), wk = 0.0021368 k( 62) = ( -0.3513805 0.3513805 0.3513805), wk = 0.0021368 k( 63) = ( -0.3571408 0.3571408 0.3571408), wk = 0.0021368 k( 64) = ( -0.3629011 0.3629011 0.3629011), wk = 0.0021368 k( 65) = ( -0.3629011 0.3629011 0.3629011), wk = 0.0021368 k( 66) = ( -0.3554128 0.3554128 0.3703895), wk = 0.0021368 k( 67) = ( -0.3479245 0.3479245 0.3778778), wk = 0.0021368 k( 68) = ( -0.3404362 0.3404362 0.3853661), wk = 0.0021368 k( 69) = ( -0.3329479 0.3329479 0.3928544), wk = 0.0021368 k( 70) = ( -0.3254595 0.3254595 0.4003428), wk = 0.0021368 k( 71) = ( -0.3179712 0.3179712 0.4078311), wk = 0.0021368 k( 72) = ( -0.3104829 0.3104829 0.4153194), wk = 0.0021368 k( 73) = ( -0.3104829 0.3104829 0.4153194), wk = 0.0021368 k( 74) = ( -0.3010743 0.3010743 0.4178855), wk = 0.0021368 k( 75) = ( -0.2916658 0.2916658 0.4204516), wk = 0.0021368 k( 76) = ( -0.2822572 0.2822572 0.4230176), wk = 0.0021368 k( 77) = ( -0.2728486 0.2728486 0.4255837), wk = 0.0021368 k( 78) = ( -0.2634400 0.2634400 0.4281498), wk = 0.0021368 k( 79) = ( -0.2540315 0.2540315 0.4307159), wk = 0.0021368 k( 80) = ( -0.2446229 0.2446229 0.4332819), wk = 0.0021368 k( 81) = ( -0.2352143 0.2352143 0.4358480), wk = 0.0021368 k( 82) = ( -0.2258057 0.2258057 0.4384141), wk = 0.0021368 k( 83) = ( -0.2163972 0.2163972 0.4409802), wk = 0.0021368 k( 84) = ( -0.2069886 0.2069886 0.4435463), wk = 0.0021368 k( 85) = ( -0.1975800 0.1975800 0.4461123), wk = 0.0021368 k( 86) = ( -0.1881714 0.1881715 0.4486784), wk = 0.0021368 k( 87) = ( -0.1787629 0.1787629 0.4512445), wk = 0.0021368 k( 88) = ( -0.1693543 0.1693543 0.4538106), wk = 0.0021368 k( 89) = ( -0.1599457 0.1599457 0.4563767), wk = 0.0021368 k( 90) = ( -0.1505372 0.1505372 0.4589427), wk = 0.0021368 k( 91) = ( -0.1411286 0.1411286 0.4615088), wk = 0.0021368 k( 92) = ( -0.1317200 0.1317200 0.4640749), wk = 0.0021368 k( 93) = ( -0.1223115 0.1223115 0.4666410), wk = 0.0021368 k( 94) = ( -0.1129029 0.1129029 0.4692071), wk = 0.0021368 k( 95) = ( -0.1034943 0.1034943 0.4717731), wk = 0.0021368 k( 96) = ( -0.0940857 0.0940857 0.4743392), wk = 0.0021368 k( 97) = ( -0.0846772 0.0846772 0.4769053), wk = 0.0021368 k( 98) = ( -0.0752686 0.0752686 0.4794714), wk = 0.0021368 k( 99) = ( -0.0658600 0.0658600 0.4820375), wk = 0.0021368 k( 100) = ( -0.0564514 0.0564514 0.4846035), wk = 0.0021368 k( 101) = ( -0.0470429 0.0470429 0.4871696), wk = 0.0021368 k( 102) = ( -0.0376343 0.0376343 0.4897357), wk = 0.0021368 k( 103) = ( -0.0282257 0.0282257 0.4923018), wk = 0.0021368 k( 104) = ( -0.0188172 0.0188172 0.4948678), wk = 0.0021368 k( 105) = ( -0.0094086 0.0094086 0.4974339), wk = 0.0021368 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 108) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021368 k( 109) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021368 k( 110) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021368 k( 111) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021368 k( 112) = ( 0.0431035 0.0431034 0.4568966), wk = 0.0021368 k( 113) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021368 k( 114) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021368 k( 115) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021368 k( 116) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021368 k( 117) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021368 k( 118) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021368 k( 119) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021368 k( 120) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021368 k( 121) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021368 k( 122) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021368 k( 123) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021368 k( 124) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021368 k( 125) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021368 k( 126) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021368 k( 127) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021368 k( 128) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021368 k( 129) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021368 k( 130) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021368 k( 131) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0021368 k( 132) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021368 k( 133) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021368 k( 134) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021368 k( 135) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021368 k( 136) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021368 k( 137) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021368 k( 138) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0021368 k( 139) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0021368 k( 140) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0021368 k( 141) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0021368 k( 142) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0021368 k( 143) = ( 0.2045454 0.2954546 0.2045454), wk = 0.0021368 k( 144) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0021368 k( 145) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0021368 k( 146) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0021368 k( 147) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0021368 k( 148) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021368 k( 149) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0021368 k( 150) = ( 0.1515151 0.3484849 0.1515152), wk = 0.0021368 k( 151) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0021368 k( 152) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0021368 k( 153) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0021368 k( 154) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0021368 k( 155) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0021368 k( 156) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0021368 k( 157) = ( 0.0984848 0.4015152 0.0984848), wk = 0.0021368 k( 158) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0021368 k( 159) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021368 k( 160) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0021368 k( 161) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0021368 k( 162) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0021368 k( 163) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0021368 k( 164) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0021368 k( 165) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0021368 k( 166) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0021368 k( 167) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0021368 k( 168) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0021368 k( 169) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0021368 k( 170) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021368 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021368 k( 172) = ( 0.0103686 0.5039171 -0.0103686), wk = 0.0021368 k( 173) = ( 0.0207372 0.5078342 -0.0207372), wk = 0.0021368 k( 174) = ( 0.0311058 0.5117513 -0.0311058), wk = 0.0021368 k( 175) = ( 0.0414744 0.5156684 -0.0414744), wk = 0.0021368 k( 176) = ( 0.0518430 0.5195855 -0.0518430), wk = 0.0021368 k( 177) = ( 0.0622116 0.5235027 -0.0622116), wk = 0.0021368 k( 178) = ( 0.0725802 0.5274198 -0.0725802), wk = 0.0021368 k( 179) = ( 0.0829488 0.5313369 -0.0829488), wk = 0.0021368 k( 180) = ( 0.0933174 0.5352540 -0.0933174), wk = 0.0021368 k( 181) = ( 0.1036860 0.5391711 -0.1036860), wk = 0.0021368 k( 182) = ( 0.1140546 0.5430882 -0.1140546), wk = 0.0021368 k( 183) = ( 0.1244232 0.5470053 -0.1244232), wk = 0.0021368 k( 184) = ( 0.1347918 0.5509224 -0.1347918), wk = 0.0021368 k( 185) = ( 0.1451605 0.5548395 -0.1451605), wk = 0.0021368 k( 186) = ( 0.1555291 0.5587566 -0.1555291), wk = 0.0021368 k( 187) = ( 0.1658977 0.5626738 -0.1658977), wk = 0.0021368 k( 188) = ( 0.1762663 0.5665909 -0.1762663), wk = 0.0021368 k( 189) = ( 0.1866349 0.5705080 -0.1866349), wk = 0.0021368 k( 190) = ( 0.1970035 0.5744251 -0.1970035), wk = 0.0021368 k( 191) = ( 0.2073721 0.5783422 -0.2073721), wk = 0.0021368 k( 192) = ( 0.2177407 0.5822593 -0.2177407), wk = 0.0021368 k( 193) = ( 0.2281093 0.5861764 -0.2281093), wk = 0.0021368 k( 194) = ( 0.2384779 0.5900935 -0.2384779), wk = 0.0021368 k( 195) = ( 0.2488465 0.5940106 -0.2488465), wk = 0.0021368 k( 196) = ( 0.2592151 0.5979277 -0.2592151), wk = 0.0021368 k( 197) = ( 0.2695837 0.6018449 -0.2695837), wk = 0.0021368 k( 198) = ( 0.2799523 0.6057620 -0.2799523), wk = 0.0021368 k( 199) = ( 0.2903209 0.6096791 -0.2903209), wk = 0.0021368 k( 200) = ( 0.3006895 0.6135962 -0.3006895), wk = 0.0021368 k( 201) = ( 0.3110581 0.6175133 -0.3110581), wk = 0.0021368 k( 202) = ( 0.3214267 0.6214304 -0.3214267), wk = 0.0021368 k( 203) = ( 0.3317953 0.6253475 -0.3317953), wk = 0.0021368 k( 204) = ( 0.3421639 0.6292646 -0.3421639), wk = 0.0021368 k( 205) = ( 0.3525325 0.6331818 -0.3525325), wk = 0.0021368 k( 206) = ( 0.3629011 0.6370989 -0.3629011), wk = 0.0021368 k( 207) = ( 0.3629011 0.6370989 -0.3629011), wk = 0.0021368 k( 208) = ( 0.3686136 0.6313864 -0.3686136), wk = 0.0021368 k( 209) = ( 0.3743261 0.6256740 -0.3743260), wk = 0.0021368 k( 210) = ( 0.3800385 0.6199615 -0.3800385), wk = 0.0021368 k( 211) = ( 0.3857509 0.6142490 -0.3857509), wk = 0.0021368 k( 212) = ( 0.3914634 0.6085366 -0.3914634), wk = 0.0021368 k( 213) = ( 0.3971759 0.6028241 -0.3971759), wk = 0.0021368 k( 214) = ( 0.4028883 0.5971117 -0.4028883), wk = 0.0021368 k( 215) = ( 0.4086008 0.5913992 -0.4086008), wk = 0.0021368 k( 216) = ( 0.4143132 0.5856868 -0.4143132), wk = 0.0021368 k( 217) = ( 0.4200257 0.5799743 -0.4200257), wk = 0.0021368 k( 218) = ( 0.4257381 0.5742619 -0.4257381), wk = 0.0021368 k( 219) = ( 0.4314506 0.5685494 -0.4314506), wk = 0.0021368 k( 220) = ( 0.4371630 0.5628370 -0.4371630), wk = 0.0021368 k( 221) = ( 0.4428755 0.5571245 -0.4428755), wk = 0.0021368 k( 222) = ( 0.4485879 0.5514121 -0.4485879), wk = 0.0021368 k( 223) = ( 0.4543004 0.5456996 -0.4543004), wk = 0.0021368 k( 224) = ( 0.4600128 0.5399872 -0.4600128), wk = 0.0021368 k( 225) = ( 0.4657253 0.5342747 -0.4657253), wk = 0.0021368 k( 226) = ( 0.4714377 0.5285623 -0.4714377), wk = 0.0021368 k( 227) = ( 0.4771502 0.5228498 -0.4771502), wk = 0.0021368 k( 228) = ( 0.4828626 0.5171374 -0.4828626), wk = 0.0021368 k( 229) = ( 0.4885751 0.5114249 -0.4885751), wk = 0.0021368 k( 230) = ( 0.4942876 0.5057124 -0.4942876), wk = 0.0021368 k( 231) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021368 k( 232) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021368 k( 233) = ( 0.4913793 0.4913793 -0.4913793), wk = 0.0021368 k( 234) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0021368 k( 235) = ( 0.4741379 0.4741379 -0.4741379), wk = 0.0021368 k( 236) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0021368 k( 237) = ( 0.4568966 0.4568966 -0.4568966), wk = 0.0021368 k( 238) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0021368 k( 239) = ( 0.4396552 0.4396552 -0.4396552), wk = 0.0021368 k( 240) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0021368 k( 241) = ( 0.4224138 0.4224138 -0.4224138), wk = 0.0021368 k( 242) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0021368 k( 243) = ( 0.4051724 0.4051724 -0.4051724), wk = 0.0021368 k( 244) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0021368 k( 245) = ( 0.3879310 0.3879310 -0.3879310), wk = 0.0021368 k( 246) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0021368 k( 247) = ( 0.3706897 0.3706897 -0.3706897), wk = 0.0021368 k( 248) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0021368 k( 249) = ( 0.3534483 0.3534483 -0.3534483), wk = 0.0021368 k( 250) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0021368 k( 251) = ( 0.3362069 0.3362069 -0.3362069), wk = 0.0021368 k( 252) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0021368 k( 253) = ( 0.3189655 0.3189655 -0.3189655), wk = 0.0021368 k( 254) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0021368 k( 255) = ( 0.3017241 0.3017241 -0.3017241), wk = 0.0021368 k( 256) = ( 0.2931034 0.2931034 -0.2931035), wk = 0.0021368 k( 257) = ( 0.2844828 0.2844828 -0.2844828), wk = 0.0021368 k( 258) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0021368 k( 259) = ( 0.2672414 0.2672414 -0.2672414), wk = 0.0021368 k( 260) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0021368 k( 261) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0021368 k( 262) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0021368 k( 263) = ( 0.2327586 0.2327586 -0.2327586), wk = 0.0021368 k( 264) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0021368 k( 265) = ( 0.2155172 0.2155172 -0.2155172), wk = 0.0021368 k( 266) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0021368 k( 267) = ( 0.1982759 0.1982759 -0.1982759), wk = 0.0021368 k( 268) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0021368 k( 269) = ( 0.1810345 0.1810345 -0.1810345), wk = 0.0021368 k( 270) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0021368 k( 271) = ( 0.1637931 0.1637931 -0.1637931), wk = 0.0021368 k( 272) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0021368 k( 273) = ( 0.1465517 0.1465517 -0.1465517), wk = 0.0021368 k( 274) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0021368 k( 275) = ( 0.1293103 0.1293103 -0.1293103), wk = 0.0021368 k( 276) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0021368 k( 277) = ( 0.1120690 0.1120690 -0.1120690), wk = 0.0021368 k( 278) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0021368 k( 279) = ( 0.0948276 0.0948276 -0.0948276), wk = 0.0021368 k( 280) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0021368 k( 281) = ( 0.0775862 0.0775862 -0.0775862), wk = 0.0021368 k( 282) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0021368 k( 283) = ( 0.0603448 0.0603448 -0.0603448), wk = 0.0021368 k( 284) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0021368 k( 285) = ( 0.0431035 0.0431034 -0.0431035), wk = 0.0021368 k( 286) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0021368 k( 287) = ( 0.0258621 0.0258621 -0.0258621), wk = 0.0021368 k( 288) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0021368 k( 289) = ( 0.0086207 0.0086207 -0.0086207), wk = 0.0021368 k( 290) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 291) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 292) = ( 0.0075861 -0.0075861 0.0075861), wk = 0.0021368 k( 293) = ( 0.0151723 -0.0151723 0.0151723), wk = 0.0021368 k( 294) = ( 0.0227584 -0.0227584 0.0227584), wk = 0.0021368 k( 295) = ( 0.0303445 -0.0303445 0.0303445), wk = 0.0021368 k( 296) = ( 0.0379307 -0.0379307 0.0379307), wk = 0.0021368 k( 297) = ( 0.0455168 -0.0455168 0.0455168), wk = 0.0021368 k( 298) = ( 0.0531029 -0.0531029 0.0531029), wk = 0.0021368 k( 299) = ( 0.0606891 -0.0606891 0.0606891), wk = 0.0021368 k( 300) = ( 0.0682752 -0.0682752 0.0682752), wk = 0.0021368 k( 301) = ( 0.0758613 -0.0758613 0.0758613), wk = 0.0021368 k( 302) = ( 0.0834475 -0.0834474 0.0834474), wk = 0.0021368 k( 303) = ( 0.0910336 -0.0910336 0.0910336), wk = 0.0021368 k( 304) = ( 0.0986197 -0.0986197 0.0986197), wk = 0.0021368 k( 305) = ( 0.1062058 -0.1062058 0.1062058), wk = 0.0021368 k( 306) = ( 0.1137920 -0.1137920 0.1137920), wk = 0.0021368 k( 307) = ( 0.1213781 -0.1213781 0.1213781), wk = 0.0021368 k( 308) = ( 0.1289642 -0.1289642 0.1289642), wk = 0.0021368 k( 309) = ( 0.1365504 -0.1365504 0.1365504), wk = 0.0021368 k( 310) = ( 0.1441365 -0.1441365 0.1441365), wk = 0.0021368 k( 311) = ( 0.1517226 -0.1517226 0.1517226), wk = 0.0021368 k( 312) = ( 0.1593088 -0.1593088 0.1593088), wk = 0.0021368 k( 313) = ( 0.1668949 -0.1668949 0.1668949), wk = 0.0021368 k( 314) = ( 0.1744810 -0.1744810 0.1744810), wk = 0.0021368 k( 315) = ( 0.1820672 -0.1820672 0.1820672), wk = 0.0021368 k( 316) = ( 0.1896533 -0.1896533 0.1896533), wk = 0.0021368 k( 317) = ( 0.1972394 -0.1972394 0.1972394), wk = 0.0021368 k( 318) = ( 0.2048255 -0.2048255 0.2048255), wk = 0.0021368 k( 319) = ( 0.2124117 -0.2124117 0.2124117), wk = 0.0021368 k( 320) = ( 0.2199978 -0.2199978 0.2199978), wk = 0.0021368 k( 321) = ( 0.2275839 -0.2275839 0.2275839), wk = 0.0021368 k( 322) = ( 0.2351701 -0.2351701 0.2351701), wk = 0.0021368 k( 323) = ( 0.2427562 -0.2427562 0.2427562), wk = 0.0021368 k( 324) = ( 0.2503423 -0.2503423 0.2503423), wk = 0.0021368 k( 325) = ( 0.2579285 -0.2579285 0.2579285), wk = 0.0021368 k( 326) = ( 0.2655146 -0.2655146 0.2655146), wk = 0.0021368 k( 327) = ( 0.2731007 -0.2731007 0.2731007), wk = 0.0021368 k( 328) = ( 0.2806869 -0.2806869 0.2806869), wk = 0.0021368 k( 329) = ( 0.2882730 -0.2882730 0.2882730), wk = 0.0021368 k( 330) = ( 0.2958591 -0.2958591 0.2958591), wk = 0.0021368 k( 331) = ( 0.3034453 -0.3034453 0.3034453), wk = 0.0021368 k( 332) = ( 0.3110314 -0.3110314 0.3110314), wk = 0.0021368 k( 333) = ( 0.3186175 -0.3186175 0.3186175), wk = 0.0021368 k( 334) = ( 0.3262037 -0.3262037 0.3262037), wk = 0.0021368 k( 335) = ( 0.3337898 -0.3337898 0.3337898), wk = 0.0021368 k( 336) = ( 0.3413759 -0.3413759 0.3413759), wk = 0.0021368 k( 337) = ( 0.3489621 -0.3489621 0.3489621), wk = 0.0021368 k( 338) = ( 0.3565482 -0.3565482 0.3565482), wk = 0.0021368 k( 339) = ( 0.3641343 -0.3641343 0.3641343), wk = 0.0021368 k( 340) = ( 0.3717204 -0.3717204 0.3717204), wk = 0.0021368 k( 341) = ( 0.3793066 -0.3793066 0.3793066), wk = 0.0021368 k( 342) = ( 0.3868927 -0.3868927 0.3868927), wk = 0.0021368 k( 343) = ( 0.3944788 -0.3944788 0.3944788), wk = 0.0021368 k( 344) = ( 0.4020650 -0.4020650 0.4020650), wk = 0.0021368 k( 345) = ( 0.4096511 -0.4096511 0.4096511), wk = 0.0021368 k( 346) = ( 0.4172372 -0.4172372 0.4172372), wk = 0.0021368 k( 347) = ( 0.4248234 -0.4248234 0.4248234), wk = 0.0021368 k( 348) = ( 0.4324095 -0.4324095 0.4324095), wk = 0.0021368 k( 349) = ( 0.4399956 -0.4399956 0.4399956), wk = 0.0021368 k( 350) = ( 0.4475818 -0.4475818 0.4475818), wk = 0.0021368 k( 351) = ( 0.4475818 -0.4475818 0.4475818), wk = 0.0021368 k( 352) = ( 0.4489258 -0.4361053 0.4361053), wk = 0.0021368 k( 353) = ( 0.4502699 -0.4246288 0.4246288), wk = 0.0021368 k( 354) = ( 0.4516139 -0.4131524 0.4131524), wk = 0.0021368 k( 355) = ( 0.4529580 -0.4016759 0.4016759), wk = 0.0021368 k( 356) = ( 0.4543020 -0.3901995 0.3901995), wk = 0.0021368 k( 357) = ( 0.4556461 -0.3787230 0.3787230), wk = 0.0021368 k( 358) = ( 0.4569902 -0.3672466 0.3672466), wk = 0.0021368 k( 359) = ( 0.4583342 -0.3557701 0.3557701), wk = 0.0021368 k( 360) = ( 0.4596783 -0.3442937 0.3442937), wk = 0.0021368 k( 361) = ( 0.4610223 -0.3328172 0.3328172), wk = 0.0021368 k( 362) = ( 0.4623664 -0.3213408 0.3213408), wk = 0.0021368 k( 363) = ( 0.4637104 -0.3098643 0.3098643), wk = 0.0021368 k( 364) = ( 0.4650545 -0.2983878 0.2983878), wk = 0.0021368 k( 365) = ( 0.4663986 -0.2869114 0.2869114), wk = 0.0021368 k( 366) = ( 0.4677426 -0.2754349 0.2754349), wk = 0.0021368 k( 367) = ( 0.4690867 -0.2639585 0.2639585), wk = 0.0021368 k( 368) = ( 0.4704307 -0.2524820 0.2524820), wk = 0.0021368 k( 369) = ( 0.4717748 -0.2410056 0.2410056), wk = 0.0021368 k( 370) = ( 0.4731188 -0.2295291 0.2295291), wk = 0.0021368 k( 371) = ( 0.4744629 -0.2180526 0.2180526), wk = 0.0021368 k( 372) = ( 0.4758070 -0.2065762 0.2065762), wk = 0.0021368 k( 373) = ( 0.4771510 -0.1950997 0.1950997), wk = 0.0021368 k( 374) = ( 0.4784951 -0.1836233 0.1836233), wk = 0.0021368 k( 375) = ( 0.4798391 -0.1721468 0.1721468), wk = 0.0021368 k( 376) = ( 0.4811832 -0.1606704 0.1606704), wk = 0.0021368 k( 377) = ( 0.4825273 -0.1491939 0.1491939), wk = 0.0021368 k( 378) = ( 0.4838713 -0.1377175 0.1377175), wk = 0.0021368 k( 379) = ( 0.4852154 -0.1262410 0.1262410), wk = 0.0021368 k( 380) = ( 0.4865594 -0.1147646 0.1147646), wk = 0.0021368 k( 381) = ( 0.4879035 -0.1032881 0.1032881), wk = 0.0021368 k( 382) = ( 0.4892475 -0.0918116 0.0918116), wk = 0.0021368 k( 383) = ( 0.4905916 -0.0803352 0.0803352), wk = 0.0021368 k( 384) = ( 0.4919357 -0.0688587 0.0688587), wk = 0.0021368 k( 385) = ( 0.4932797 -0.0573823 0.0573823), wk = 0.0021368 k( 386) = ( 0.4946238 -0.0459058 0.0459058), wk = 0.0021368 k( 387) = ( 0.4959678 -0.0344294 0.0344294), wk = 0.0021368 k( 388) = ( 0.4973119 -0.0229529 0.0229529), wk = 0.0021368 k( 389) = ( 0.4986559 -0.0114765 0.0114765), wk = 0.0021368 k( 390) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021368 k( 391) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021368 k( 392) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0021368 k( 393) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0021368 k( 394) = ( 0.4829545 0.0170455 0.0170454), wk = 0.0021368 k( 395) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0021368 k( 396) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0021368 k( 397) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0021368 k( 398) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0021368 k( 399) = ( 0.4545455 0.0454545 0.0454546), wk = 0.0021368 k( 400) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0021368 k( 401) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0021368 k( 402) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0021368 k( 403) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0021368 k( 404) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0021368 k( 405) = ( 0.4204545 0.0795455 0.0795455), wk = 0.0021368 k( 406) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0021368 k( 407) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0021368 k( 408) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0021368 k( 409) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0021368 k( 410) = ( 0.3920455 0.1079546 0.1079545), wk = 0.0021368 k( 411) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0021368 k( 412) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0021368 k( 413) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0021368 k( 414) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0021368 k( 415) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0021368 k( 416) = ( 0.3579545 0.1420454 0.1420454), wk = 0.0021368 k( 417) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0021368 k( 418) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0021368 k( 419) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0021368 k( 420) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0021368 k( 421) = ( 0.3295455 0.1704545 0.1704545), wk = 0.0021368 k( 422) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0021368 k( 423) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0021368 k( 424) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0021368 k( 425) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0021368 k( 426) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0021368 k( 427) = ( 0.2954545 0.2045455 0.2045454), wk = 0.0021368 k( 428) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0021368 k( 429) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0021368 k( 430) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0021368 k( 431) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0021368 k( 432) = ( 0.2670455 0.2329546 0.2329546), wk = 0.0021368 k( 433) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0021368 k( 434) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0021368 k( 435) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021368 k( 436) = ( 0.3104829 -0.3104829 0.5846806), wk = 0.0021368 k( 437) = ( 0.3161953 -0.3161953 0.5789682), wk = 0.0021368 k( 438) = ( 0.3219078 -0.3219078 0.5732557), wk = 0.0021368 k( 439) = ( 0.3276203 -0.3276203 0.5675433), wk = 0.0021368 k( 440) = ( 0.3333327 -0.3333327 0.5618308), wk = 0.0021368 k( 441) = ( 0.3390452 -0.3390452 0.5561184), wk = 0.0021368 k( 442) = ( 0.3447576 -0.3447576 0.5504059), wk = 0.0021368 k( 443) = ( 0.3504701 -0.3504701 0.5446934), wk = 0.0021368 k( 444) = ( 0.3561825 -0.3561825 0.5389810), wk = 0.0021368 k( 445) = ( 0.3618950 -0.3618950 0.5332685), wk = 0.0021368 k( 446) = ( 0.3676074 -0.3676074 0.5275561), wk = 0.0021368 k( 447) = ( 0.3733199 -0.3733199 0.5218436), wk = 0.0021368 k( 448) = ( 0.3790323 -0.3790323 0.5161312), wk = 0.0021368 k( 449) = ( 0.3847448 -0.3847448 0.5104187), wk = 0.0021368 k( 450) = ( 0.3904572 -0.3904572 0.5047063), wk = 0.0021368 k( 451) = ( 0.3961697 -0.3961697 0.4989938), wk = 0.0021368 k( 452) = ( 0.4018821 -0.4018821 0.4932814), wk = 0.0021368 k( 453) = ( 0.4075946 -0.4075946 0.4875689), wk = 0.0021368 k( 454) = ( 0.4133070 -0.4133070 0.4818565), wk = 0.0021368 k( 455) = ( 0.4190195 -0.4190195 0.4761440), wk = 0.0021368 k( 456) = ( 0.4247320 -0.4247320 0.4704316), wk = 0.0021368 k( 457) = ( 0.4304444 -0.4304444 0.4647191), wk = 0.0021368 k( 458) = ( 0.4361568 -0.4361568 0.4590067), wk = 0.0021368 k( 459) = ( 0.4418693 -0.4418693 0.4532942), wk = 0.0021368 k( 460) = ( 0.4475818 -0.4475818 0.4475818), wk = 0.0021368 k( 461) = ( 0.5524182 0.4475818 -0.4475818), wk = 0.0021368 k( 462) = ( 0.5449299 0.4550701 -0.4550701), wk = 0.0021368 k( 463) = ( 0.5374416 0.4625584 -0.4625584), wk = 0.0021368 k( 464) = ( 0.5299533 0.4700467 -0.4700467), wk = 0.0021368 k( 465) = ( 0.5224650 0.4775350 -0.4775350), wk = 0.0021368 k( 466) = ( 0.5149766 0.4850234 -0.4850234), wk = 0.0021368 k( 467) = ( 0.5074883 0.4925117 -0.4925117), wk = 0.0021368 k( 468) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021368 Dense grid: 45631 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 338, 22) NL pseudopotentials 0.14 Mb ( 169, 56) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1268) G-vector shells 0.01 Mb ( 1099) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 338, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.04 Mb ( 56, 2, 22) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiC.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.1 secs Computing kpt #: 16 total cpu time spent up to now is 5.3 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.6 secs Computing kpt #: 19 total cpu time spent up to now is 5.8 secs Computing kpt #: 20 total cpu time spent up to now is 6.1 secs Computing kpt #: 21 total cpu time spent up to now is 6.3 secs Computing kpt #: 22 total cpu time spent up to now is 6.5 secs Computing kpt #: 23 total cpu time spent up to now is 6.7 secs Computing kpt #: 24 total cpu time spent up to now is 6.9 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.4 secs Computing kpt #: 28 total cpu time spent up to now is 7.6 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.3 secs Computing kpt #: 33 total cpu time spent up to now is 8.5 secs Computing kpt #: 34 total cpu time spent up to now is 8.6 secs Computing kpt #: 35 total cpu time spent up to now is 8.8 secs Computing kpt #: 36 total cpu time spent up to now is 9.0 secs Computing kpt #: 37 total cpu time spent up to now is 9.2 secs Computing kpt #: 38 total cpu time spent up to now is 9.3 secs Computing kpt #: 39 total cpu time spent up to now is 9.5 secs Computing kpt #: 40 total cpu time spent up to now is 9.7 secs Computing kpt #: 41 total cpu time spent up to now is 9.8 secs Computing kpt #: 42 total cpu time spent up to now is 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Computing kpt #: 74 total cpu time spent up to now is 16.4 secs Computing kpt #: 75 total cpu time spent up to now is 16.6 secs Computing kpt #: 76 total cpu time spent up to now is 16.8 secs Computing kpt #: 77 total cpu time spent up to now is 17.0 secs Computing kpt #: 78 total cpu time spent up to now is 17.2 secs Computing kpt #: 79 total cpu time spent up to now is 17.4 secs Computing kpt #: 80 total cpu time spent up to now is 17.7 secs Computing kpt #: 81 total cpu time spent up to now is 18.0 secs Computing kpt #: 82 total cpu time spent up to now is 18.2 secs Computing kpt #: 83 total cpu time spent up to now is 18.5 secs Computing kpt #: 84 total cpu time spent up to now is 18.7 secs Computing kpt #: 85 total cpu time spent up to now is 18.9 secs Computing kpt #: 86 total cpu time spent up to now is 19.2 secs Computing kpt #: 87 total cpu time spent up to now is 19.4 secs Computing kpt #: 88 total cpu time spent up to now is 19.7 secs Computing kpt #: 89 total cpu time spent up to now is 19.9 secs Computing kpt #: 90 total cpu time spent up to now is 20.2 secs Computing kpt #: 91 total cpu time spent up to now is 20.5 secs Computing kpt #: 92 total cpu time spent up to now is 20.8 secs Computing kpt #: 93 total cpu time spent up to now is 21.1 secs Computing kpt #: 94 total cpu time spent up to now is 21.4 secs Computing kpt #: 95 total cpu time spent up to now is 21.7 secs Computing kpt #: 96 total cpu time spent up to now is 22.0 secs Computing kpt #: 97 total cpu time spent up to now is 22.2 secs Computing kpt #: 98 total cpu time spent up to now is 22.4 secs Computing kpt #: 99 total cpu time spent up to now is 22.7 secs Computing kpt #: 100 total cpu time spent up to now is 22.9 secs Computing kpt #: 101 total cpu time spent up to now is 23.1 secs Computing kpt #: 102 total cpu time spent up to now is 23.4 secs Computing kpt #: 103 total cpu time spent up to now is 23.6 secs Computing kpt #: 104 total cpu time spent up to now is 23.8 secs Computing 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secs Computing kpt #: 136 total cpu time spent up to now is 30.1 secs Computing kpt #: 137 total cpu time spent up to now is 30.3 secs Computing kpt #: 138 total cpu time spent up to now is 30.5 secs Computing kpt #: 139 total cpu time spent up to now is 30.7 secs Computing kpt #: 140 total cpu time spent up to now is 30.9 secs Computing kpt #: 141 total cpu time spent up to now is 31.1 secs Computing kpt #: 142 total cpu time spent up to now is 31.4 secs Computing kpt #: 143 total cpu time spent up to now is 31.6 secs Computing kpt #: 144 total cpu time spent up to now is 31.8 secs Computing kpt #: 145 total cpu time spent up to now is 32.0 secs Computing kpt #: 146 total cpu time spent up to now is 32.2 secs Computing kpt #: 147 total cpu time spent up to now is 32.4 secs Computing kpt #: 148 total cpu time spent up to now is 32.6 secs Computing kpt #: 149 total cpu time spent up to now is 32.8 secs Computing kpt #: 150 total cpu time spent up to now is 33.0 secs Computing kpt #: 151 total cpu time spent up to now is 33.2 secs Computing kpt #: 152 total cpu time spent up to now is 33.4 secs Computing kpt #: 153 total cpu time spent up to now is 33.5 secs Computing kpt #: 154 total cpu time spent up to now is 33.7 secs Computing kpt #: 155 total cpu time spent up to now is 33.9 secs Computing kpt #: 156 total cpu time spent up to now is 34.1 secs Computing kpt #: 157 total cpu time spent up to now is 34.3 secs Computing kpt #: 158 total cpu time spent up to now is 34.5 secs Computing kpt #: 159 total cpu time spent up to now is 34.6 secs Computing kpt #: 160 total cpu time spent up to now is 34.8 secs Computing kpt #: 161 total cpu time spent up to now is 35.2 secs Computing kpt #: 162 total cpu time spent up to now is 35.4 secs Computing kpt #: 163 total cpu time spent up to now is 35.6 secs Computing kpt #: 164 total cpu time spent up to now is 35.7 secs Computing kpt #: 165 total cpu time spent up to now is 35.9 secs Computing kpt #: 166 total cpu time spent up to now is 36.1 secs Computing kpt #: 167 total cpu time spent up to now is 36.3 secs Computing kpt #: 168 total cpu time spent up to now is 36.4 secs Computing kpt #: 169 total cpu time spent up to now is 36.6 secs Computing kpt #: 170 total cpu time spent up to now is 36.8 secs Computing kpt #: 171 total cpu time spent up to now is 37.0 secs Computing kpt #: 172 total cpu time spent up to now is 37.1 secs Computing kpt #: 173 total cpu time spent up to now is 37.3 secs Computing kpt #: 174 total cpu time spent up to now is 37.5 secs Computing kpt #: 175 total cpu time spent up to now is 37.6 secs Computing kpt #: 176 total cpu time spent up to now is 37.8 secs Computing kpt #: 177 total cpu time spent up to now is 38.0 secs Computing kpt #: 178 total cpu time spent up to now is 38.2 secs Computing kpt #: 179 total cpu time spent up to now is 38.4 secs Computing kpt #: 180 total cpu time spent up to now is 38.5 secs Computing kpt #: 181 total cpu time spent up to now is 38.7 secs Computing kpt #: 182 total cpu time spent up to now is 38.9 secs Computing kpt #: 183 total cpu time spent up to now is 39.1 secs Computing kpt #: 184 total cpu time spent up to now is 39.3 secs Computing kpt #: 185 total cpu time spent up to now is 39.5 secs Computing kpt #: 186 total cpu time spent up to now is 39.6 secs Computing kpt #: 187 total cpu time spent up to now is 39.8 secs Computing kpt #: 188 total cpu time spent up to now is 40.0 secs Computing kpt #: 189 total cpu time spent up to now is 40.2 secs Computing kpt #: 190 total cpu time spent up to now is 40.4 secs Computing kpt #: 191 total cpu time spent up to now is 40.6 secs Computing kpt #: 192 total cpu time spent up to now is 40.7 secs Computing kpt #: 193 total cpu time spent up to now is 40.9 secs Computing kpt #: 194 total cpu time spent up to now is 41.1 secs Computing kpt #: 195 total cpu time spent up to now is 41.3 secs Computing kpt #: 196 total cpu time spent up to now is 41.5 secs Computing kpt #: 197 total cpu time spent up to now is 41.7 secs Computing kpt #: 198 total cpu time spent up to now is 41.9 secs Computing kpt #: 199 total cpu time spent up to now is 42.1 secs Computing kpt #: 200 total cpu time spent up to now is 42.3 secs Computing kpt #: 201 total cpu time spent up to now is 42.6 secs Computing kpt #: 202 total cpu time spent up to now is 42.8 secs Computing kpt #: 203 total cpu time spent up to now is 43.0 secs Computing kpt #: 204 total cpu time spent up to now is 43.2 secs Computing kpt #: 205 total cpu time spent up to now is 43.5 secs Computing kpt #: 206 total cpu time spent up to now is 43.7 secs Computing kpt #: 207 total cpu time spent up to now is 44.0 secs Computing kpt #: 208 total cpu time spent up to now is 44.2 secs Computing kpt #: 209 total cpu time spent up to now is 44.4 secs Computing kpt #: 210 total cpu time spent up to now is 44.6 secs Computing kpt #: 211 total cpu time spent up to now is 44.8 secs Computing kpt #: 212 total cpu time spent up to now is 44.9 secs Computing kpt #: 213 total cpu time spent up to now is 45.1 secs Computing kpt #: 214 total cpu time spent up to now is 45.3 secs Computing kpt #: 215 total cpu time spent up to now is 45.4 secs Computing kpt #: 216 total cpu time spent up to now is 45.6 secs Computing kpt #: 217 total cpu time spent up to now is 45.8 secs Computing kpt #: 218 total cpu time spent up to now is 46.0 secs Computing kpt #: 219 total cpu time spent up to now is 46.1 secs Computing kpt #: 220 total cpu time spent up to now is 46.3 secs Computing kpt #: 221 total cpu time spent up to now is 46.5 secs Computing kpt #: 222 total cpu time spent up to now is 46.6 secs Computing kpt #: 223 total cpu time spent up to now is 46.8 secs Computing kpt #: 224 total cpu time spent up to now is 47.0 secs Computing kpt #: 225 total cpu time spent up to now is 47.2 secs Computing kpt #: 226 total cpu time spent up to now is 47.3 secs Computing kpt #: 227 total cpu time spent up to now is 47.5 secs 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total cpu time spent up to now is 50.1 secs Computing kpt #: 244 total cpu time spent up to now is 50.3 secs Computing kpt #: 245 total cpu time spent up to now is 50.5 secs Computing kpt #: 246 total cpu time spent up to now is 50.7 secs Computing kpt #: 247 total cpu time spent up to now is 50.8 secs Computing kpt #: 248 total cpu time spent up to now is 51.0 secs Computing kpt #: 249 total cpu time spent up to now is 51.2 secs Computing kpt #: 250 total cpu time spent up to now is 51.4 secs Computing kpt #: 251 total cpu time spent up to now is 51.5 secs Computing kpt #: 252 total cpu time spent up to now is 51.7 secs Computing kpt #: 253 total cpu time spent up to now is 51.9 secs Computing kpt #: 254 total cpu time spent up to now is 52.1 secs Computing kpt #: 255 total cpu time spent up to now is 52.2 secs Computing kpt #: 256 total cpu time spent up to now is 52.4 secs Computing kpt #: 257 total cpu time spent up to now is 52.6 secs Computing kpt #: 258 total cpu time spent up to now is 52.8 secs Computing kpt #: 259 total cpu time spent up to now is 53.0 secs Computing kpt #: 260 total cpu time spent up to now is 53.1 secs Computing kpt #: 261 total cpu time spent up to now is 53.3 secs Computing kpt #: 262 total cpu time spent up to now is 53.5 secs Computing kpt #: 263 total cpu time spent up to now is 53.7 secs Computing kpt #: 264 total cpu time spent up to now is 53.8 secs Computing kpt #: 265 total cpu time spent up to now is 54.0 secs Computing kpt #: 266 total cpu time spent up to now is 54.2 secs Computing kpt #: 267 total cpu time spent up to now is 54.4 secs Computing kpt #: 268 total cpu time spent up to now is 54.5 secs Computing kpt #: 269 total cpu time spent up to now is 54.7 secs Computing kpt #: 270 total cpu time spent up to now is 54.9 secs Computing kpt #: 271 total cpu time spent up to now is 55.1 secs Computing kpt #: 272 total cpu time spent up to now is 55.3 secs Computing kpt #: 273 total cpu time spent up to now is 55.5 secs 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total cpu time spent up to now is 58.2 secs Computing kpt #: 290 total cpu time spent up to now is 58.3 secs Computing kpt #: 291 total cpu time spent up to now is 58.5 secs Computing kpt #: 292 total cpu time spent up to now is 58.7 secs Computing kpt #: 293 total cpu time spent up to now is 58.8 secs Computing kpt #: 294 total cpu time spent up to now is 59.0 secs Computing kpt #: 295 total cpu time spent up to now is 59.1 secs Computing kpt #: 296 total cpu time spent up to now is 59.3 secs Computing kpt #: 297 total cpu time spent up to now is 59.5 secs Computing kpt #: 298 total cpu time spent up to now is 59.6 secs Computing kpt #: 299 total cpu time spent up to now is 59.8 secs Computing kpt #: 300 total cpu time spent up to now is 59.9 secs Computing kpt #: 301 total cpu time spent up to now is 60.1 secs Computing kpt #: 302 total cpu time spent up to now is 60.3 secs Computing kpt #: 303 total cpu time spent up to now is 60.4 secs Computing kpt #: 304 total cpu time spent up to now is 60.6 secs Computing kpt #: 305 total cpu time spent up to now is 60.8 secs Computing kpt #: 306 total cpu time spent up to now is 60.9 secs Computing kpt #: 307 total cpu time spent up to now is 61.1 secs Computing kpt #: 308 total cpu time spent up to now is 61.3 secs Computing kpt #: 309 total cpu time spent up to now is 61.4 secs Computing kpt #: 310 total cpu time spent up to now is 61.6 secs Computing kpt #: 311 total cpu time spent up to now is 61.7 secs Computing kpt #: 312 total cpu time spent up to now is 61.9 secs Computing kpt #: 313 total cpu time spent up to now is 62.1 secs Computing kpt #: 314 total cpu time spent up to now is 62.2 secs Computing kpt #: 315 total cpu time spent up to now is 62.4 secs Computing kpt #: 316 total cpu time spent up to now is 62.6 secs Computing kpt #: 317 total cpu time spent up to now is 62.7 secs Computing kpt #: 318 total cpu time spent up to now is 62.9 secs Computing kpt #: 319 total cpu time spent up to now is 63.1 secs Computing kpt #: 320 total cpu time spent up to now is 63.2 secs Computing kpt #: 321 total cpu time spent up to now is 63.4 secs Computing kpt #: 322 total cpu time spent up to now is 63.6 secs Computing kpt #: 323 total cpu time spent up to now is 63.7 secs Computing kpt #: 324 total cpu time spent up to now is 64.0 secs Computing kpt #: 325 total cpu time spent up to now is 64.1 secs Computing kpt #: 326 total cpu time spent up to now is 64.3 secs Computing kpt #: 327 total cpu time spent up to now is 64.4 secs Computing kpt #: 328 total cpu time spent up to now is 64.6 secs Computing kpt #: 329 total cpu time spent up to now is 64.8 secs Computing kpt #: 330 total cpu time spent up to now is 64.9 secs Computing kpt #: 331 total cpu time spent up to now is 65.1 secs Computing kpt #: 332 total cpu time spent up to now is 65.3 secs Computing kpt #: 333 total cpu time spent up to now is 65.4 secs Computing kpt #: 334 total cpu time spent up to now is 65.6 secs Computing kpt #: 335 total cpu time spent up to now is 65.8 secs Computing kpt #: 336 total cpu time spent up to now is 65.9 secs Computing kpt #: 337 total cpu time spent up to now is 66.1 secs Computing kpt #: 338 total cpu time spent up to now is 66.3 secs Computing kpt #: 339 total cpu time spent up to now is 66.4 secs Computing kpt #: 340 total cpu time spent up to now is 66.6 secs Computing kpt #: 341 total cpu time spent up to now is 66.8 secs Computing kpt #: 342 total cpu time spent up to now is 67.0 secs Computing kpt #: 343 total cpu time spent up to now is 67.1 secs Computing kpt #: 344 total cpu time spent up to now is 67.3 secs Computing kpt #: 345 total cpu time spent up to now is 67.5 secs Computing kpt #: 346 total cpu time spent up to now is 67.7 secs Computing kpt #: 347 total cpu time spent up to now is 67.9 secs Computing kpt #: 348 total cpu time spent up to now is 68.0 secs Computing kpt #: 349 total cpu time spent up to now is 68.2 secs Computing kpt #: 350 total cpu time spent up to now is 68.4 secs Computing kpt #: 351 total cpu time spent up to now is 68.6 secs Computing kpt #: 352 total cpu time spent up to now is 68.7 secs Computing kpt #: 353 total cpu time spent up to now is 68.9 secs Computing kpt #: 354 total cpu time spent up to now is 69.1 secs Computing kpt #: 355 total cpu time spent up to now is 69.3 secs Computing kpt #: 356 total cpu time spent up to now is 69.4 secs Computing kpt #: 357 total cpu time spent up to now is 69.6 secs Computing kpt #: 358 total cpu time spent up to now is 69.8 secs Computing kpt #: 359 total cpu time spent up to now is 70.0 secs Computing kpt #: 360 total cpu time spent up to now is 70.3 secs Computing kpt #: 361 total cpu time spent up to now is 70.5 secs Computing kpt #: 362 total cpu time spent up to now is 70.7 secs Computing kpt #: 363 total cpu time spent up to now is 70.8 secs Computing kpt #: 364 total cpu time spent up to now is 71.0 secs Computing kpt #: 365 total cpu time spent up to now is 71.2 secs Computing kpt #: 366 total cpu time spent up to now is 71.4 secs Computing kpt #: 367 total cpu time spent up to now is 71.6 secs Computing kpt #: 368 total cpu time spent up to now is 71.8 secs Computing kpt #: 369 total cpu time spent up to now is 72.0 secs Computing kpt #: 370 total cpu time spent up to now is 72.1 secs Computing kpt #: 371 total cpu time spent up to now is 72.3 secs Computing kpt #: 372 total cpu time spent up to now is 72.5 secs Computing kpt #: 373 total cpu time spent up to now is 72.7 secs Computing kpt #: 374 total cpu time spent up to now is 72.9 secs Computing kpt #: 375 total cpu time spent up to now is 73.1 secs Computing kpt #: 376 total cpu time spent up to now is 73.2 secs Computing kpt #: 377 total cpu time spent up to now is 73.4 secs Computing kpt #: 378 total cpu time spent up to now is 73.6 secs Computing kpt #: 379 total cpu time spent up to now is 73.8 secs Computing kpt #: 380 total cpu time spent up to now is 73.9 secs Computing kpt #: 381 total cpu time spent up to now is 74.1 secs Computing kpt #: 382 total cpu time spent up to now is 74.3 secs Computing kpt #: 383 total cpu time spent up to now is 74.5 secs Computing kpt #: 384 total cpu time spent up to now is 74.6 secs Computing kpt #: 385 total cpu time spent up to now is 74.8 secs Computing kpt #: 386 total cpu time spent up to now is 75.0 secs Computing kpt #: 387 total cpu time spent up to now is 75.2 secs Computing kpt #: 388 total cpu time spent up to now is 75.3 secs Computing kpt #: 389 total cpu time spent up to now is 75.5 secs Computing kpt #: 390 total cpu time spent up to now is 75.7 secs Computing kpt #: 391 total cpu time spent up to now is 75.9 secs Computing kpt #: 392 total cpu time spent up to now is 76.1 secs Computing kpt #: 393 total cpu time spent up to now is 76.2 secs Computing kpt #: 394 total cpu time spent up to now is 76.4 secs Computing kpt #: 395 total cpu time spent up to now is 76.6 secs Computing kpt #: 396 total cpu time spent up to now is 76.8 secs Computing kpt #: 397 total cpu time spent up to now is 76.9 secs Computing kpt #: 398 total cpu time spent up to now is 77.1 secs Computing kpt #: 399 total cpu time spent up to now is 77.3 secs Computing kpt #: 400 total cpu time spent up to now is 77.5 secs Computing kpt #: 401 total cpu time spent up to now is 77.7 secs Computing kpt #: 402 total cpu time spent up to now is 77.9 secs Computing kpt #: 403 total cpu time spent up to now is 78.1 secs Computing kpt #: 404 total cpu time spent up to now is 78.3 secs Computing kpt #: 405 total cpu time spent up to now is 78.4 secs Computing kpt #: 406 total cpu time spent up to now is 78.6 secs Computing kpt #: 407 total cpu time spent up to now is 78.8 secs Computing kpt #: 408 total cpu time spent up to now is 79.0 secs Computing kpt #: 409 total cpu time spent up to now is 79.2 secs Computing kpt #: 410 total cpu time spent up to now is 79.4 secs Computing kpt #: 411 total cpu time spent up to now is 79.6 secs Computing kpt #: 412 total cpu time spent up to now is 79.9 secs Computing kpt #: 413 total cpu time spent up to now is 80.1 secs Computing kpt #: 414 total cpu time spent up to now is 80.3 secs Computing kpt #: 415 total cpu time spent up to now is 80.5 secs Computing kpt #: 416 total cpu time spent up to now is 80.7 secs Computing kpt #: 417 total cpu time spent up to now is 80.9 secs Computing kpt #: 418 total cpu time spent up to now is 81.1 secs Computing kpt #: 419 total cpu time spent up to now is 81.3 secs Computing kpt #: 420 total cpu time spent up to now is 81.5 secs Computing kpt #: 421 total cpu time spent up to now is 81.7 secs Computing kpt #: 422 total cpu time spent up to now is 81.9 secs Computing kpt #: 423 total cpu time spent up to now is 82.1 secs Computing kpt #: 424 total cpu time spent up to now is 82.3 secs Computing kpt #: 425 total cpu time spent up to now is 82.5 secs Computing kpt #: 426 total cpu time spent up to now is 82.7 secs Computing kpt #: 427 total cpu time spent up to now is 82.9 secs Computing kpt #: 428 total cpu time spent up to now is 83.1 secs Computing kpt #: 429 total cpu time spent up to now is 83.3 secs Computing kpt #: 430 total cpu time spent up to now is 83.5 secs Computing kpt #: 431 total cpu time spent up to now is 83.7 secs Computing kpt #: 432 total cpu time spent up to now is 84.0 secs Computing kpt #: 433 total cpu time spent up to now is 84.2 secs Computing kpt #: 434 total cpu time spent up to now is 84.4 secs Computing kpt #: 435 total cpu time spent up to now is 84.6 secs Computing kpt #: 436 total cpu time spent up to now is 84.9 secs Computing kpt #: 437 total cpu time spent up to now is 85.1 secs Computing kpt #: 438 total cpu time spent up to now is 85.3 secs Computing kpt #: 439 total cpu time spent up to now is 85.5 secs Computing kpt #: 440 total cpu time spent up to now is 85.7 secs Computing kpt #: 441 total cpu time spent up to now is 85.9 secs Computing kpt #: 442 total cpu time spent up to now is 86.0 secs Computing kpt #: 443 total cpu time spent up to now is 86.2 secs Computing kpt #: 444 total cpu time spent up to now is 86.4 secs Computing kpt #: 445 total cpu time spent up to now is 86.6 secs Computing kpt #: 446 total cpu time spent up to now is 86.8 secs Computing kpt #: 447 total cpu time spent up to now is 86.9 secs Computing kpt #: 448 total cpu time spent up to now is 87.1 secs Computing kpt #: 449 total cpu time spent up to now is 87.3 secs Computing kpt #: 450 total cpu time spent up to now is 87.5 secs Computing kpt #: 451 total cpu time spent up to now is 87.7 secs Computing kpt #: 452 total cpu time spent up to now is 87.8 secs Computing kpt #: 453 total cpu time spent up to now is 88.0 secs Computing kpt #: 454 total cpu time spent up to now is 88.2 secs Computing kpt #: 455 total cpu time spent up to now is 88.4 secs Computing kpt #: 456 total cpu time spent up to now is 88.6 secs Computing kpt #: 457 total cpu time spent up to now is 88.7 secs Computing kpt #: 458 total cpu time spent up to now is 88.9 secs Computing kpt #: 459 total cpu time spent up to now is 89.1 secs Computing kpt #: 460 total cpu time spent up to now is 89.3 secs Computing kpt #: 461 total cpu time spent up to now is 89.4 secs Computing kpt #: 462 total cpu time spent up to now is 89.6 secs Computing kpt #: 463 total cpu time spent up to now is 89.8 secs Computing kpt #: 464 total cpu time spent up to now is 90.0 secs Computing kpt #: 465 total cpu time spent up to now is 90.1 secs Computing kpt #: 466 total cpu time spent up to now is 90.3 secs Computing kpt #: 467 total cpu time spent up to now is 90.5 secs Computing kpt #: 468 total cpu time spent up to now is 90.7 secs ethr = 7.14E-08, avg # of iterations = 14.2 total cpu time spent up to now is 90.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4418 -11.4418 -1.2415 -1.2415 -0.9865 -0.9865 0.3520 0.3520 0.4846 0.4846 4.3814 4.3814 7.6016 7.6016 8.4839 8.4839 10.5633 10.5633 k =-0.0058 0.0052 0.0102 ( 5729 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4416 -11.4416 -1.2415 -1.2415 -0.9866 -0.9866 0.3513 0.3513 0.4831 0.4831 4.3826 4.3826 7.5976 7.5976 8.4856 8.4856 10.5624 10.5624 k =-0.0115 0.0103 0.0205 ( 5735 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4408 -11.4408 -1.2417 -1.2417 -0.9868 -0.9868 0.3493 0.3493 0.4784 0.4784 4.3860 4.3860 7.5856 7.5856 8.4903 8.4903 10.5597 10.5597 k =-0.0173 0.0155 0.0307 ( 5723 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4395 -11.4395 -1.2419 -1.2419 -0.9871 -0.9871 0.3460 0.3460 0.4707 0.4707 4.3918 4.3918 7.5659 7.5659 8.4979 8.4979 10.5555 10.5555 k =-0.0230 0.0207 0.0410 ( 5721 PWs) bands (ev): -42.4286 -42.4286 -42.3874 -42.3874 -11.4376 -11.4376 -1.2423 -1.2423 -0.9875 -0.9875 0.3413 0.3413 0.4601 0.4601 4.3998 4.3998 7.5388 7.5388 8.5081 8.5081 10.5502 10.5502 k =-0.0288 0.0258 0.0512 ( 5725 PWs) bands (ev): -42.4286 -42.4286 -42.3875 -42.3875 -11.4353 -11.4353 -1.2428 -1.2428 -0.9882 -0.9882 0.3353 0.3353 0.4467 0.4467 4.4101 4.4101 7.5047 7.5047 8.5203 8.5203 10.5446 10.5446 k =-0.0346 0.0310 0.0614 ( 5729 PWs) bands (ev): -42.4285 -42.4285 -42.3875 -42.3875 -11.4324 -11.4324 -1.2434 -1.2434 -0.9892 -0.9892 0.3281 0.3281 0.4308 0.4308 4.4227 4.4227 7.4641 7.4641 8.5339 8.5339 10.5395 10.5395 k =-0.0403 0.0362 0.0717 ( 5731 PWs) bands (ev): -42.4284 -42.4284 -42.3876 -42.3876 -11.4291 -11.4291 -1.2442 -1.2442 -0.9905 -0.9905 0.3195 0.3195 0.4125 0.4125 4.4376 4.4376 7.4177 7.4177 8.5480 8.5480 10.5356 10.5356 k =-0.0461 0.0414 0.0819 ( 5725 PWs) bands (ev): -42.4283 -42.4283 -42.3876 -42.3876 -11.4253 -11.4253 -1.2453 -1.2453 -0.9922 -0.9922 0.3096 0.3096 0.3922 0.3922 4.4547 4.4547 7.3661 7.3661 8.5619 8.5619 10.5342 10.5342 k =-0.0518 0.0465 0.0921 ( 5721 PWs) bands (ev): -42.4282 -42.4282 -42.3877 -42.3877 -11.4210 -11.4210 -1.2466 -1.2466 -0.9945 -0.9945 0.2986 0.2986 0.3702 0.3702 4.4741 4.4741 7.3099 7.3099 8.5744 8.5744 10.5363 10.5363 k =-0.0576 0.0517 0.1024 ( 5729 PWs) bands (ev): -42.4281 -42.4281 -42.3877 -42.3877 -11.4162 -11.4162 -1.2481 -1.2481 -0.9974 -0.9974 0.2862 0.2862 0.3468 0.3468 4.4958 4.4958 7.2498 7.2498 8.5847 8.5847 10.5431 10.5431 k =-0.0634 0.0569 0.1126 ( 5723 PWs) bands (ev): -42.4280 -42.4280 -42.3878 -42.3878 -11.4110 -11.4110 -1.2500 -1.2500 -1.0011 -1.0011 0.2727 0.2727 0.3224 0.3224 4.5197 4.5197 7.1865 7.1865 8.5918 8.5918 10.5556 10.5556 k =-0.0691 0.0620 0.1229 ( 5729 PWs) bands (ev): -42.4278 -42.4278 -42.3879 -42.3879 -11.4054 -11.4054 -1.2523 -1.2523 -1.0056 -1.0056 0.2580 0.2580 0.2972 0.2972 4.5458 4.5458 7.1206 7.1206 8.5947 8.5947 10.5749 10.5749 k =-0.0749 0.0672 0.1331 ( 5725 PWs) bands (ev): -42.4277 -42.4277 -42.3880 -42.3880 -11.3993 -11.3993 -1.2550 -1.2550 -1.0112 -1.0112 0.2421 0.2421 0.2718 0.2718 4.5741 4.5741 7.0528 7.0528 8.5929 8.5929 10.6016 10.6016 k =-0.0806 0.0724 0.1433 ( 5729 PWs) bands (ev): -42.4275 -42.4275 -42.3881 -42.3881 -11.3929 -11.3929 -1.2581 -1.2581 -1.0180 -1.0180 0.2251 0.2251 0.2466 0.2466 4.6046 4.6046 6.9837 6.9837 8.5856 8.5856 10.6364 10.6364 k =-0.0864 0.0775 0.1536 ( 5731 PWs) bands (ev): -42.4273 -42.4273 -42.3882 -42.3882 -11.3861 -11.3861 -1.2618 -1.2618 -1.0260 -1.0260 0.2070 0.2070 0.2218 0.2218 4.6374 4.6374 6.9138 6.9138 8.5728 8.5728 10.6796 10.6796 k =-0.0922 0.0827 0.1638 ( 5725 PWs) bands (ev): -42.4272 -42.4272 -42.3883 -42.3883 -11.3789 -11.3789 -1.2661 -1.2661 -1.0355 -1.0355 0.1878 0.1878 0.1978 0.1978 4.6722 4.6722 6.8437 6.8437 8.5543 8.5543 10.7310 10.7310 k =-0.0979 0.0879 0.1741 ( 5723 PWs) bands (ev): -42.4270 -42.4270 -42.3884 -42.3884 -11.3715 -11.3715 -1.2711 -1.2711 -1.0464 -1.0464 0.1676 0.1676 0.1750 0.1750 4.7093 4.7093 6.7739 6.7739 8.5304 8.5304 10.7906 10.7906 k =-0.1037 0.0930 0.1843 ( 5727 PWs) bands (ev): -42.4268 -42.4268 -42.3885 -42.3885 -11.3637 -11.3637 -1.2767 -1.2767 -1.0590 -1.0590 0.1466 0.1466 0.1535 0.1535 4.7484 4.7484 6.7047 6.7047 8.5014 8.5014 10.8578 10.8578 k =-0.1094 0.0982 0.1945 ( 5739 PWs) bands (ev): -42.4266 -42.4266 -42.3887 -42.3887 -11.3556 -11.3556 -1.2831 -1.2831 -1.0732 -1.0732 0.1249 0.1249 0.1335 0.1335 4.7897 4.7897 6.6367 6.6367 8.4679 8.4679 10.8807 10.8807 k =-0.1152 0.1034 0.2048 ( 5739 PWs) bands (ev): -42.4263 -42.4263 -42.3888 -42.3888 -11.3473 -11.3473 -1.2904 -1.2904 -1.0890 -1.0890 0.1023 0.1023 0.1154 0.1154 4.8330 4.8330 6.5703 6.5703 8.4303 8.4303 10.8744 10.8744 k =-0.1210 0.1085 0.2150 ( 5735 PWs) bands (ev): -42.4261 -42.4261 -42.3889 -42.3889 -11.3388 -11.3388 -1.2985 -1.2985 -1.1065 -1.1065 0.0788 0.0788 0.0995 0.0995 4.8784 4.8784 6.5057 6.5057 8.3894 8.3894 10.8698 10.8698 k =-0.1267 0.1137 0.2252 ( 5735 PWs) bands (ev): -42.4259 -42.4259 -42.3891 -42.3891 -11.3301 -11.3301 -1.3076 -1.3076 -1.1255 -1.1255 0.0545 0.0545 0.0858 0.0858 4.9258 4.9258 6.4434 6.4434 8.3458 8.3458 10.8668 10.8668 k =-0.1325 0.1189 0.2355 ( 5745 PWs) bands (ev): -42.4256 -42.4256 -42.3892 -42.3892 -11.3213 -11.3213 -1.3178 -1.3178 -1.1460 -1.1460 0.0294 0.0294 0.0744 0.0744 4.9752 4.9752 6.3837 6.3837 8.3000 8.3000 10.8657 10.8657 k =-0.1382 0.1241 0.2457 ( 5753 PWs) bands (ev): -42.4254 -42.4254 -42.3894 -42.3894 -11.3123 -11.3123 -1.3289 -1.3289 -1.1677 -1.1677 0.0036 0.0036 0.0653 0.0653 5.0266 5.0266 6.3268 6.3268 8.2527 8.2527 10.8663 10.8663 k =-0.1440 0.1292 0.2560 ( 5749 PWs) bands (ev): -42.4251 -42.4251 -42.3896 -42.3896 -11.3032 -11.3032 -1.3412 -1.3412 -1.1905 -1.1905 -0.0228 -0.0228 0.0584 0.0584 5.0799 5.0799 6.2729 6.2729 8.2044 8.2044 10.8689 10.8689 k =-0.1498 0.1344 0.2662 ( 5757 PWs) bands (ev): -42.4249 -42.4249 -42.3897 -42.3897 -11.2940 -11.2940 -1.3547 -1.3547 -1.2142 -1.2142 -0.0498 -0.0498 0.0536 0.0536 5.1352 5.1352 6.2224 6.2224 8.1555 8.1555 10.8734 10.8734 k =-0.1555 0.1396 0.2764 ( 5747 PWs) bands (ev): -42.4246 -42.4246 -42.3899 -42.3899 -11.2848 -11.2848 -1.3694 -1.3694 -1.2386 -1.2386 -0.0774 -0.0774 0.0508 0.0508 5.1922 5.1922 6.1754 6.1754 8.1066 8.1066 10.8800 10.8800 k =-0.1613 0.1447 0.2867 ( 5747 PWs) bands (ev): -42.4243 -42.4243 -42.3901 -42.3901 -11.2756 -11.2756 -1.3853 -1.3853 -1.2633 -1.2633 -0.1054 -0.1054 0.0500 0.0500 5.2511 5.2511 6.1321 6.1321 8.0580 8.0580 10.8885 10.8885 k =-0.1670 0.1499 0.2969 ( 5751 PWs) bands (ev): -42.4241 -42.4241 -42.3903 -42.3903 -11.2664 -11.2664 -1.4025 -1.4025 -1.2881 -1.2881 -0.1339 -0.1339 0.0508 0.0508 5.3118 5.3118 6.0927 6.0927 8.0100 8.0100 10.8991 10.8991 k =-0.1728 0.1551 0.3072 ( 5743 PWs) bands (ev): -42.4238 -42.4238 -42.3905 -42.3905 -11.2573 -11.2573 -1.4209 -1.4209 -1.3128 -1.3128 -0.1628 -0.1628 0.0532 0.0532 5.3742 5.3742 6.0574 6.0574 7.9631 7.9631 10.9117 10.9117 k =-0.1786 0.1602 0.3174 ( 5747 PWs) bands (ev): -42.4235 -42.4235 -42.3907 -42.3907 -11.2483 -11.2483 -1.4407 -1.4407 -1.3372 -1.3372 -0.1920 -0.1920 0.0569 0.0569 5.4382 5.4382 6.0261 6.0261 7.9176 7.9176 10.9264 10.9264 k =-0.1843 0.1654 0.3276 ( 5741 PWs) bands (ev): -42.4232 -42.4232 -42.3909 -42.3909 -11.2394 -11.2394 -1.4618 -1.4618 -1.3609 -1.3609 -0.2215 -0.2215 0.0619 0.0619 5.5039 5.5039 5.9992 5.9992 7.8735 7.8735 10.9430 10.9430 k =-0.1901 0.1706 0.3379 ( 5739 PWs) bands (ev): -42.4229 -42.4229 -42.3911 -42.3911 -11.2306 -11.2306 -1.4842 -1.4842 -1.3838 -1.3838 -0.2512 -0.2512 0.0679 0.0679 5.5712 5.5712 5.9765 5.9765 7.8313 7.8313 10.9617 10.9617 k =-0.1959 0.1757 0.3481 ( 5731 PWs) bands (ev): -42.4226 -42.4226 -42.3913 -42.3913 -11.2220 -11.2220 -1.5079 -1.5079 -1.4056 -1.4056 -0.2811 -0.2811 0.0747 0.0747 5.6400 5.6400 5.9583 5.9583 7.7912 7.7912 10.9822 10.9822 k =-0.2016 0.1809 0.3583 ( 5737 PWs) bands (ev): -42.4223 -42.4223 -42.3916 -42.3916 -11.2136 -11.2136 -1.5329 -1.5329 -1.4262 -1.4262 -0.3112 -0.3112 0.0823 0.0823 5.7102 5.7102 5.9445 5.9445 7.7532 7.7532 11.0047 11.0047 k =-0.2074 0.1861 0.3686 ( 5737 PWs) bands (ev): -42.4220 -42.4220 -42.3918 -42.3918 -11.2055 -11.2055 -1.5592 -1.5592 -1.4453 -1.4453 -0.3413 -0.3413 0.0904 0.0904 5.7818 5.7818 5.9353 5.9353 7.7177 7.7177 11.0291 11.0291 k =-0.2131 0.1912 0.3788 ( 5739 PWs) bands (ev): -42.4217 -42.4217 -42.3920 -42.3920 -11.1976 -11.1976 -1.5867 -1.5867 -1.4628 -1.4628 -0.3715 -0.3715 0.0989 0.0989 5.8548 5.8548 5.9305 5.9305 7.6847 7.6847 11.0553 11.0553 k =-0.2189 0.1964 0.3891 ( 5727 PWs) bands (ev): -42.4214 -42.4214 -42.3922 -42.3922 -11.1900 -11.1900 -1.6153 -1.6153 -1.4785 -1.4785 -0.4017 -0.4017 0.1077 0.1077 5.9278 5.9278 5.9315 5.9315 7.6543 7.6543 11.0832 11.0832 k =-0.2247 0.2016 0.3993 ( 5723 PWs) bands (ev): -42.4211 -42.4211 -42.3925 -42.3925 -11.1827 -11.1827 -1.6451 -1.6451 -1.4923 -1.4923 -0.4318 -0.4318 0.1167 0.1167 5.9345 5.9345 6.0044 6.0044 7.6268 7.6268 11.1128 11.1128 k =-0.2304 0.2068 0.4095 ( 5719 PWs) bands (ev): -42.4209 -42.4209 -42.3927 -42.3927 -11.1757 -11.1757 -1.6760 -1.6760 -1.5041 -1.5041 -0.4619 -0.4619 0.1257 0.1257 5.9433 5.9433 6.0809 6.0809 7.6021 7.6021 11.1440 11.1440 k =-0.2362 0.2119 0.4198 ( 5711 PWs) bands (ev): -42.4206 -42.4206 -42.3930 -42.3930 -11.1691 -11.1691 -1.7079 -1.7079 -1.5137 -1.5137 -0.4918 -0.4918 0.1347 0.1347 5.9565 5.9565 6.1583 6.1583 7.5804 7.5804 11.1768 11.1768 k =-0.2419 0.2171 0.4300 ( 5717 PWs) bands (ev): -42.4203 -42.4203 -42.3932 -42.3932 -11.1629 -11.1629 -1.7407 -1.7407 -1.5211 -1.5211 -0.5216 -0.5216 0.1435 0.1435 5.9741 5.9741 6.2367 6.2367 7.5618 7.5618 11.2110 11.2110 k =-0.2477 0.2223 0.4403 ( 5721 PWs) bands (ev): -42.4200 -42.4200 -42.3935 -42.3935 -11.1570 -11.1570 -1.7743 -1.7743 -1.5262 -1.5262 -0.5511 -0.5511 0.1520 0.1520 5.9961 5.9961 6.3159 6.3159 7.5462 7.5462 11.2467 11.2467 k =-0.2535 0.2274 0.4505 ( 5719 PWs) bands (ev): -42.4197 -42.4197 -42.3937 -42.3937 -11.1515 -11.1515 -1.8088 -1.8088 -1.5289 -1.5289 -0.5804 -0.5804 0.1602 0.1602 6.0223 6.0223 6.3958 6.3958 7.5337 7.5337 11.2836 11.2836 k =-0.2592 0.2326 0.4607 ( 5721 PWs) bands (ev): -42.4194 -42.4194 -42.3940 -42.3940 -11.1464 -11.1464 -1.8440 -1.8440 -1.5292 -1.5292 -0.6094 -0.6094 0.1681 0.1681 6.0528 6.0528 6.4763 6.4763 7.5244 7.5244 11.3217 11.3217 k =-0.2650 0.2378 0.4710 ( 5713 PWs) bands (ev): -42.4191 -42.4191 -42.3942 -42.3942 -11.1418 -11.1418 -1.8797 -1.8797 -1.5271 -1.5271 -0.6381 -0.6381 0.1754 0.1754 6.0873 6.0873 6.5573 6.5573 7.5182 7.5182 11.3609 11.3609 k =-0.2707 0.2429 0.4812 ( 5701 PWs) bands (ev): -42.4189 -42.4189 -42.3945 -42.3945 -11.1375 -11.1375 -1.9160 -1.9160 -1.5224 -1.5224 -0.6665 -0.6665 0.1823 0.1823 6.1259 6.1259 6.6388 6.6388 7.5151 7.5151 11.4011 11.4011 k =-0.2765 0.2481 0.4914 ( 5701 PWs) bands (ev): -42.4186 -42.4186 -42.3947 -42.3947 -11.1337 -11.1337 -1.9528 -1.9528 -1.5152 -1.5152 -0.6944 -0.6944 0.1885 0.1885 6.1684 6.1684 6.7205 6.7205 7.5151 7.5151 11.4423 11.4423 k =-0.2823 0.2533 0.5017 ( 5713 PWs) bands (ev): -42.4183 -42.4183 -42.3950 -42.3950 -11.1303 -11.1303 -1.9898 -1.9898 -1.5055 -1.5055 -0.7220 -0.7220 0.1942 0.1942 6.2146 6.2146 6.8024 6.8024 7.5182 7.5182 11.4842 11.4842 k =-0.2880 0.2584 0.5119 ( 5709 PWs) bands (ev): -42.4181 -42.4181 -42.3952 -42.3952 -11.1273 -11.1273 -2.0271 -2.0271 -1.4933 -1.4933 -0.7491 -0.7491 0.1992 0.1992 6.2646 6.2646 6.8843 6.8843 7.5243 7.5243 11.5268 11.5268 k =-0.2938 0.2636 0.5222 ( 5709 PWs) bands (ev): -42.4178 -42.4178 -42.3955 -42.3955 -11.1247 -11.1247 -2.0646 -2.0646 -1.4786 -1.4786 -0.7757 -0.7757 0.2036 0.2036 6.3182 6.3182 6.9661 6.9661 7.5332 7.5332 11.5700 11.5700 k =-0.2995 0.2688 0.5324 ( 5701 PWs) bands (ev): -42.4176 -42.4176 -42.3957 -42.3957 -11.1226 -11.1226 -2.1021 -2.1021 -1.4615 -1.4615 -0.8018 -0.8018 0.2073 0.2073 6.3751 6.3751 7.0477 7.0477 7.5450 7.5450 11.6137 11.6137 k =-0.3053 0.2740 0.5426 ( 5701 PWs) bands (ev): -42.4173 -42.4173 -42.3960 -42.3960 -11.1208 -11.1208 -2.1396 -2.1396 -1.4419 -1.4419 -0.8274 -0.8274 0.2103 0.2103 6.4355 6.4355 7.1289 7.1289 7.5595 7.5595 11.6577 11.6577 k =-0.3111 0.2791 0.5529 ( 5693 PWs) bands (ev): -42.4171 -42.4171 -42.3962 -42.3962 -11.1194 -11.1194 -2.1770 -2.1770 -1.4200 -1.4200 -0.8525 -0.8525 0.2126 0.2126 6.4989 6.4989 7.2096 7.2096 7.5765 7.5765 11.7019 11.7019 k =-0.3168 0.2843 0.5631 ( 5697 PWs) bands (ev): -42.4168 -42.4168 -42.3965 -42.3965 -11.1185 -11.1185 -2.2141 -2.2141 -1.3957 -1.3957 -0.8770 -0.8770 0.2142 0.2142 6.5655 6.5655 7.2896 7.2896 7.5959 7.5959 11.7463 11.7463 k =-0.3226 0.2895 0.5734 ( 5695 PWs) bands (ev): -42.4166 -42.4166 -42.3967 -42.3967 -11.1178 -11.1178 -2.2510 -2.2510 -1.3693 -1.3693 -0.9009 -0.9009 0.2151 0.2151 6.6349 6.6349 7.3688 7.3688 7.6175 7.6175 11.7907 11.7907 k =-0.3283 0.2946 0.5836 ( 5697 PWs) bands (ev): -42.4164 -42.4164 -42.3970 -42.3970 -11.1175 -11.1175 -2.2875 -2.2875 -1.3406 -1.3406 -0.9242 -0.9242 0.2153 0.2153 6.7071 6.7071 7.4471 7.4471 7.6412 7.6412 11.8350 11.8350 k =-0.3341 0.2998 0.5938 ( 5697 PWs) bands (ev): -42.4162 -42.4162 -42.3972 -42.3972 -11.1176 -11.1176 -2.3235 -2.3235 -1.3100 -1.3100 -0.9469 -0.9469 0.2148 0.2148 6.7818 6.7818 7.5243 7.5243 7.6666 7.6666 11.8790 11.8790 k =-0.3399 0.3050 0.6041 ( 5697 PWs) bands (ev): -42.4159 -42.4159 -42.3975 -42.3975 -11.1179 -11.1179 -2.3590 -2.3590 -1.2773 -1.2773 -0.9689 -0.9689 0.2137 0.2137 6.8590 6.8590 7.6002 7.6002 7.6936 7.6936 11.9227 11.9227 k =-0.3456 0.3101 0.6143 ( 5685 PWs) bands (ev): -42.4157 -42.4157 -42.3977 -42.3977 -11.1186 -11.1186 -2.3938 -2.3938 -1.2429 -1.2429 -0.9902 -0.9902 0.2120 0.2120 6.9385 6.9385 7.6747 7.6747 7.7219 7.7219 11.9659 11.9659 k =-0.3514 0.3153 0.6245 ( 5681 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1195 -11.1195 -2.4280 -2.4280 -1.2067 -1.2067 -1.0109 -1.0109 0.2096 0.2096 7.0200 7.0200 7.7474 7.7474 7.7515 7.7515 11.9494 11.9494 k =-0.3571 0.3205 0.6348 ( 5681 PWs) bands (ev): -42.4153 -42.4153 -42.3982 -42.3982 -11.1206 -11.1206 -2.4614 -2.4614 -1.1690 -1.1690 -1.0309 -1.0309 0.2066 0.2066 7.1035 7.1035 7.7812 7.7812 7.8189 7.8189 11.8033 11.8033 k =-0.3629 0.3256 0.6450 ( 5681 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1220 -11.1220 -2.4940 -2.4940 -1.1298 -1.1298 -1.0501 -1.0501 0.2030 0.2030 7.1886 7.1886 7.8116 7.8116 7.8884 7.8884 11.6603 11.6603 k =-0.3629 0.3256 0.6450 ( 5681 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1220 -11.1220 -2.4940 -2.4940 -1.1298 -1.1298 -1.0501 -1.0501 0.2030 0.2030 7.1886 7.1886 7.8116 7.8116 7.8884 7.8884 11.6603 11.6603 k =-0.3554 0.3189 0.6526 ( 5679 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1221 -11.1221 -2.4947 -2.4947 -1.1293 -1.1293 -1.0498 -1.0498 0.2045 0.2045 7.1714 7.1714 7.8295 7.8295 7.8870 7.8870 11.6603 11.6603 k =-0.3479 0.3122 0.6602 ( 5678 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1223 -11.1223 -2.4968 -2.4968 -1.1276 -1.1276 -1.0487 -1.0487 0.2092 0.2092 7.1250 7.1250 7.8782 7.8782 7.8832 7.8832 11.6601 11.6601 k =-0.3404 0.3055 0.6678 ( 5678 PWs) bands (ev): -42.4152 -42.4152 -42.3983 -42.3983 -11.1228 -11.1228 -2.5002 -2.5002 -1.1249 -1.1249 -1.0470 -1.0470 0.2168 0.2168 7.0591 7.0591 7.8761 7.8761 7.9486 7.9486 11.6597 11.6597 k =-0.3329 0.2988 0.6754 ( 5676 PWs) bands (ev): -42.4152 -42.4152 -42.3983 -42.3983 -11.1234 -11.1234 -2.5049 -2.5049 -1.1211 -1.1211 -1.0446 -1.0446 0.2274 0.2274 6.9820 6.9820 7.8666 7.8666 8.0314 8.0314 11.6591 11.6591 k =-0.3255 0.2920 0.6830 ( 5676 PWs) bands (ev): -42.4153 -42.4153 -42.3983 -42.3983 -11.1241 -11.1241 -2.5107 -2.5107 -1.1163 -1.1163 -1.0414 -1.0414 0.2407 0.2407 6.8989 6.8989 7.8544 7.8544 8.1216 8.1216 11.6581 11.6581 k =-0.3180 0.2853 0.6907 ( 5678 PWs) bands (ev): -42.4154 -42.4154 -42.3982 -42.3982 -11.1251 -11.1251 -2.5177 -2.5177 -1.1104 -1.1104 -1.0376 -1.0376 0.2567 0.2567 6.8128 6.8128 7.8396 7.8396 8.2163 8.2163 11.6568 11.6568 k =-0.3105 0.2786 0.6983 ( 5679 PWs) bands (ev): -42.4154 -42.4154 -42.3981 -42.3981 -11.1262 -11.1262 -2.5255 -2.5255 -1.1035 -1.1035 -1.0330 -1.0330 0.2751 0.2751 6.7256 6.7256 7.8221 7.8221 8.3133 8.3133 11.6548 11.6548 k =-0.3105 0.2786 0.6983 ( 5679 PWs) bands (ev): -42.4154 -42.4154 -42.3981 -42.3981 -11.1262 -11.1262 -2.5255 -2.5255 -1.1035 -1.1035 -1.0330 -1.0330 0.2751 0.2751 6.7256 6.7256 7.8221 7.8221 8.3133 8.3133 11.6548 11.6548 k =-0.3011 0.2702 0.6983 ( 5681 PWs) bands (ev): -42.4156 -42.4156 -42.3980 -42.3980 -11.1262 -11.1262 -2.5139 -2.5139 -1.1204 -1.1204 -1.0181 -1.0181 0.2932 0.2932 6.6082 6.6082 7.7685 7.7685 8.3765 8.3765 11.7354 11.7354 k =-0.2917 0.2617 0.6983 ( 5693 PWs) bands (ev): -42.4158 -42.4158 -42.3978 -42.3978 -11.1263 -11.1263 -2.5028 -2.5028 -1.1362 -1.1362 -1.0027 -1.0027 0.3123 0.3123 6.4916 6.4916 7.7139 7.7139 8.4425 8.4425 11.8157 11.8157 k =-0.2823 0.2533 0.6983 ( 5689 PWs) bands (ev): -42.4159 -42.4159 -42.3976 -42.3976 -11.1266 -11.1266 -2.4921 -2.4921 -1.1507 -1.1507 -0.9869 -0.9869 0.3322 0.3322 6.3763 6.3763 7.6586 7.6586 8.5111 8.5111 11.8954 11.8954 k =-0.2728 0.2448 0.6983 ( 5696 PWs) bands (ev): -42.4161 -42.4161 -42.3974 -42.3974 -11.1269 -11.1269 -2.4820 -2.4820 -1.1640 -1.1640 -0.9708 -0.9708 0.3527 0.3527 6.2624 6.2624 7.6027 7.6027 8.5824 8.5824 11.9740 11.9740 k =-0.2634 0.2364 0.6983 ( 5703 PWs) bands (ev): -42.4163 -42.4163 -42.3972 -42.3972 -11.1274 -11.1274 -2.4724 -2.4724 -1.1758 -1.1758 -0.9544 -0.9544 0.3735 0.3735 6.1504 6.1504 7.5466 7.5466 8.6561 8.6561 12.0512 12.0512 k =-0.2540 0.2279 0.6983 ( 5701 PWs) bands (ev): -42.4165 -42.4165 -42.3970 -42.3970 -11.1279 -11.1279 -2.4633 -2.4633 -1.1863 -1.1863 -0.9378 -0.9378 0.3947 0.3947 6.0405 6.0405 7.4904 7.4904 8.7323 8.7323 12.1265 12.1266 k =-0.2446 0.2195 0.6983 ( 5701 PWs) bands (ev): -42.4167 -42.4167 -42.3968 -42.3968 -11.1285 -11.1285 -2.4547 -2.4547 -1.1954 -1.1954 -0.9210 -0.9210 0.4158 0.4158 5.9331 5.9331 7.4343 7.4343 8.8107 8.8107 12.1363 12.1995 k =-0.2352 0.2111 0.6983 ( 5708 PWs) bands (ev): -42.4169 -42.4169 -42.3966 -42.3966 -11.1292 -11.1292 -2.4466 -2.4466 -1.2030 -1.2030 -0.9041 -0.9041 0.4368 0.4368 5.8282 5.8282 7.3785 7.3785 8.8915 8.8915 12.1339 12.1339 k =-0.2258 0.2026 0.6983 ( 5704 PWs) bands (ev): -42.4171 -42.4171 -42.3964 -42.3964 -11.1299 -11.1299 -2.4391 -2.4391 -1.2092 -1.2092 -0.8871 -0.8871 0.4576 0.4576 5.7262 5.7262 7.3233 7.3233 8.9743 8.9743 12.1319 12.1319 k =-0.2164 0.1942 0.6983 ( 5700 PWs) bands (ev): -42.4172 -42.4172 -42.3962 -42.3962 -11.1307 -11.1307 -2.4321 -2.4321 -1.2140 -1.2140 -0.8702 -0.8702 0.4778 0.4778 5.6274 5.6274 7.2687 7.2687 9.0593 9.0593 12.1302 12.1302 k =-0.2070 0.1857 0.6983 ( 5696 PWs) bands (ev): -42.4174 -42.4174 -42.3960 -42.3960 -11.1316 -11.1316 -2.4256 -2.4256 -1.2173 -1.2173 -0.8532 -0.8532 0.4974 0.4974 5.5318 5.5318 7.2151 7.2151 9.1462 9.1462 12.1288 12.1288 k =-0.1976 0.1773 0.6983 ( 5700 PWs) bands (ev): -42.4176 -42.4176 -42.3958 -42.3958 -11.1325 -11.1325 -2.4196 -2.4196 -1.2191 -1.2191 -0.8365 -0.8365 0.5162 0.5162 5.4397 5.4397 7.1625 7.1625 9.2349 9.2349 12.1277 12.1277 k =-0.1882 0.1689 0.6983 ( 5703 PWs) bands (ev): -42.4178 -42.4178 -42.3956 -42.3956 -11.1334 -11.1334 -2.4142 -2.4142 -1.2196 -1.2196 -0.8199 -0.8199 0.5341 0.5341 5.3512 5.3512 7.1111 7.1111 9.3254 9.3254 12.1268 12.1268 k =-0.1788 0.1604 0.6983 ( 5713 PWs) bands (ev): -42.4180 -42.4180 -42.3955 -42.3955 -11.1343 -11.1343 -2.4093 -2.4093 -1.2188 -1.2188 -0.8036 -0.8036 0.5509 0.5509 5.2666 5.2666 7.0611 7.0611 9.4175 9.4175 12.1262 12.1262 k =-0.1694 0.1520 0.6983 ( 5715 PWs) bands (ev): -42.4181 -42.4181 -42.3953 -42.3953 -11.1353 -11.1353 -2.4049 -2.4049 -1.2167 -1.2167 -0.7876 -0.7876 0.5666 0.5666 5.1859 5.1859 7.0127 7.0127 9.5110 9.5110 12.1257 12.1257 k =-0.1599 0.1435 0.6983 ( 5715 PWs) bands (ev): -42.4183 -42.4183 -42.3951 -42.3951 -11.1362 -11.1362 -2.4010 -2.4010 -1.2134 -1.2134 -0.7720 -0.7720 0.5810 0.5810 5.1093 5.1093 6.9659 6.9659 9.6059 9.6059 12.1253 12.1253 k =-0.1505 0.1351 0.6983 ( 5729 PWs) bands (ev): -42.4185 -42.4185 -42.3950 -42.3950 -11.1371 -11.1371 -2.3975 -2.3975 -1.2090 -1.2090 -0.7568 -0.7568 0.5941 0.5941 5.0369 5.0369 6.9210 6.9210 9.7020 9.7020 12.1250 12.1250 k =-0.1411 0.1266 0.6983 ( 5726 PWs) bands (ev): -42.4186 -42.4186 -42.3948 -42.3948 -11.1381 -11.1381 -2.3945 -2.3945 -1.2037 -1.2037 -0.7422 -0.7422 0.6059 0.6059 4.9688 4.9688 6.8781 6.8781 9.7990 9.7990 12.1249 12.1249 k =-0.1317 0.1182 0.6983 ( 5722 PWs) bands (ev): -42.4188 -42.4188 -42.3946 -42.3946 -11.1390 -11.1390 -2.3919 -2.3919 -1.1975 -1.1975 -0.7281 -0.7281 0.6163 0.6163 4.9050 4.9050 6.8373 6.8373 9.8969 9.8969 12.1247 12.1248 k =-0.1223 0.1098 0.6983 ( 5717 PWs) bands (ev): -42.4189 -42.4189 -42.3945 -42.3945 -11.1399 -11.1399 -2.3897 -2.3897 -1.1907 -1.1907 -0.7148 -0.7148 0.6254 0.6254 4.8457 4.8457 6.7987 6.7987 9.9954 9.9954 12.1247 12.1247 k =-0.1129 0.1013 0.6983 ( 5713 PWs) bands (ev): -42.4190 -42.4190 -42.3944 -42.3944 -11.1407 -11.1407 -2.3879 -2.3879 -1.1833 -1.1833 -0.7021 -0.7021 0.6332 0.6332 4.7909 4.7909 6.7625 6.7625 10.0944 10.0944 12.1247 12.1247 k =-0.1035 0.0929 0.6983 ( 5717 PWs) bands (ev): -42.4192 -42.4192 -42.3942 -42.3942 -11.1415 -11.1415 -2.3864 -2.3864 -1.1756 -1.1756 -0.6902 -0.6902 0.6397 0.6397 4.7405 4.7405 6.7288 6.7288 10.1936 10.1936 12.0860 12.0860 k =-0.0941 0.0844 0.6983 ( 5713 PWs) bands (ev): -42.4193 -42.4193 -42.3941 -42.3941 -11.1423 -11.1423 -2.3851 -2.3851 -1.1677 -1.1677 -0.6791 -0.6791 0.6450 0.6450 4.6947 4.6947 6.6976 6.6976 10.2929 10.2929 12.0191 12.0191 k =-0.0847 0.0760 0.6983 ( 5717 PWs) bands (ev): -42.4194 -42.4194 -42.3940 -42.3940 -11.1430 -11.1430 -2.3841 -2.3841 -1.1599 -1.1599 -0.6689 -0.6689 0.6493 0.6493 4.6533 4.6533 6.6691 6.6691 10.3919 10.3919 11.9506 11.9506 k =-0.0753 0.0675 0.6983 ( 5722 PWs) bands (ev): -42.4195 -42.4195 -42.3939 -42.3939 -11.1437 -11.1437 -2.3834 -2.3834 -1.1522 -1.1522 -0.6596 -0.6596 0.6526 0.6526 4.6164 4.6164 6.6433 6.6433 10.4905 10.4905 11.8804 11.8804 k =-0.0659 0.0591 0.6983 ( 5722 PWs) bands (ev): -42.4196 -42.4196 -42.3938 -42.3938 -11.1442 -11.1442 -2.3827 -2.3827 -1.1449 -1.1449 -0.6513 -0.6513 0.6551 0.6551 4.5840 4.5840 6.6204 6.6204 10.5884 10.5884 11.8086 11.8086 k =-0.0565 0.0507 0.6983 ( 5728 PWs) bands (ev): -42.4197 -42.4197 -42.3938 -42.3938 -11.1448 -11.1448 -2.3823 -2.3823 -1.1382 -1.1382 -0.6440 -0.6440 0.6569 0.6569 4.5560 4.5560 6.6004 6.6004 10.6853 10.6853 11.7349 11.7349 k =-0.0470 0.0422 0.6983 ( 5726 PWs) bands (ev): -42.4197 -42.4197 -42.3937 -42.3937 -11.1452 -11.1452 -2.3819 -2.3819 -1.1322 -1.1322 -0.6378 -0.6378 0.6582 0.6582 4.5324 4.5324 6.5834 6.5834 10.7811 10.7811 11.6595 11.6595 k =-0.0376 0.0338 0.6983 ( 5724 PWs) bands (ev): -42.4198 -42.4198 -42.3936 -42.3936 -11.1456 -11.1456 -2.3817 -2.3817 -1.1271 -1.1271 -0.6326 -0.6326 0.6591 0.6591 4.5131 4.5131 6.5693 6.5693 10.8753 10.8753 11.5824 11.5824 k =-0.0282 0.0253 0.6983 ( 5720 PWs) bands (ev): -42.4198 -42.4198 -42.3936 -42.3936 -11.1459 -11.1459 -2.3815 -2.3815 -1.1230 -1.1230 -0.6286 -0.6286 0.6596 0.6596 4.4982 4.4982 6.5584 6.5584 10.9674 10.9674 11.5037 11.5037 k =-0.0188 0.0169 0.6983 ( 5724 PWs) bands (ev): -42.4198 -42.4198 -42.3936 -42.3936 -11.1461 -11.1461 -2.3814 -2.3814 -1.1199 -1.1199 -0.6257 -0.6257 0.6599 0.6599 4.4875 4.4875 6.5506 6.5506 11.0565 11.0565 11.4245 11.4245 k =-0.0094 0.0084 0.6983 ( 5719 PWs) bands (ev): -42.4199 -42.4199 -42.3935 -42.3935 -11.1462 -11.1462 -2.3814 -2.3814 -1.1181 -1.1181 -0.6240 -0.6240 0.6600 0.6600 4.4812 4.4812 6.5458 6.5458 11.1388 11.1388 11.3481 11.3481 k = 0.0000 0.0000 0.6983 ( 5712 PWs) bands (ev): -42.4199 -42.4199 -42.3935 -42.3935 -11.1462 -11.1462 -2.3814 -2.3814 -1.1175 -1.1175 -0.6234 -0.6234 0.6601 0.6601 4.4790 4.4790 6.5443 6.5443 11.1869 11.1869 11.3020 11.3020 k = 0.0000 0.0000 0.6983 ( 5712 PWs) bands (ev): -42.4199 -42.4199 -42.3935 -42.3935 -11.1462 -11.1462 -2.3814 -2.3814 -1.1175 -1.1175 -0.6234 -0.6234 0.6601 0.6601 4.4790 4.4790 6.5443 6.5443 11.1869 11.1869 11.3020 11.3020 k = 0.0086 0.0096 0.6983 ( 5718 PWs) bands (ev): -42.4199 -42.4199 -42.3935 -42.3935 -11.1462 -11.1462 -2.3810 -2.3810 -1.1180 -1.1180 -0.6244 -0.6244 0.6608 0.6608 4.4807 4.4807 6.5453 6.5453 11.1833 11.1833 11.3027 11.3027 k = 0.0172 0.0192 0.6983 ( 5718 PWs) bands (ev): -42.4198 -42.4198 -42.3936 -42.3936 -11.1462 -11.1462 -2.3801 -2.3801 -1.1195 -1.1195 -0.6275 -0.6275 0.6629 0.6629 4.4855 4.4855 6.5483 6.5483 11.1726 11.1726 11.3048 11.3048 k = 0.0259 0.0288 0.6983 ( 5712 PWs) bands (ev): -42.4197 -42.4197 -42.3937 -42.3937 -11.1461 -11.1461 -2.3786 -2.3786 -1.1220 -1.1220 -0.6326 -0.6326 0.6663 0.6663 4.4935 4.4935 6.5533 6.5533 11.1553 11.1553 11.3084 11.3084 k = 0.0345 0.0384 0.6983 ( 5720 PWs) bands (ev): -42.4196 -42.4196 -42.3938 -42.3938 -11.1460 -11.1460 -2.3765 -2.3765 -1.1255 -1.1255 -0.6395 -0.6395 0.6709 0.6709 4.5046 4.5046 6.5603 6.5603 11.1322 11.1322 11.3133 11.3133 k = 0.0431 0.0480 0.6983 ( 5718 PWs) bands (ev): -42.4195 -42.4195 -42.3939 -42.3939 -11.1458 -11.1458 -2.3739 -2.3739 -1.1299 -1.1299 -0.6483 -0.6483 0.6767 0.6767 4.5188 4.5188 6.5691 6.5691 11.1041 11.1041 11.3195 11.3195 k = 0.0517 0.0576 0.6983 ( 5720 PWs) bands (ev): -42.4193 -42.4193 -42.3940 -42.3940 -11.1456 -11.1456 -2.3707 -2.3707 -1.1352 -1.1352 -0.6586 -0.6586 0.6835 0.6835 4.5358 4.5358 6.5797 6.5797 11.0719 11.0719 11.3271 11.3271 k = 0.0603 0.0672 0.6983 ( 5722 PWs) bands (ev): -42.4192 -42.4192 -42.3942 -42.3942 -11.1454 -11.1454 -2.3669 -2.3669 -1.1414 -1.1414 -0.6703 -0.6703 0.6912 0.6912 4.5555 4.5555 6.5920 6.5920 11.0365 11.0365 11.3360 11.3360 k = 0.0690 0.0769 0.6983 ( 5724 PWs) bands (ev): -42.4190 -42.4190 -42.3944 -42.3944 -11.1452 -11.1452 -2.3627 -2.3627 -1.1484 -1.1484 -0.6833 -0.6833 0.6997 0.6997 4.5778 4.5778 6.6059 6.6059 10.9987 10.9987 11.3460 11.3460 k = 0.0776 0.0865 0.6983 ( 5726 PWs) bands (ev): -42.4187 -42.4187 -42.3947 -42.3947 -11.1449 -11.1449 -2.3580 -2.3580 -1.1560 -1.1560 -0.6973 -0.6973 0.7087 0.7087 4.6023 4.6023 6.6211 6.6211 10.9592 10.9592 11.3572 11.3572 k = 0.0862 0.0961 0.6983 ( 5720 PWs) bands (ev): -42.4185 -42.4185 -42.3949 -42.3949 -11.1447 -11.1447 -2.3529 -2.3529 -1.1643 -1.1643 -0.7121 -0.7121 0.7181 0.7181 4.6290 4.6290 6.6377 6.6377 10.9185 10.9185 11.3694 11.3694 k = 0.0948 0.1057 0.6983 ( 5714 PWs) bands (ev): -42.4182 -42.4182 -42.3952 -42.3952 -11.1444 -11.1444 -2.3474 -2.3474 -1.1732 -1.1732 -0.7274 -0.7274 0.7279 0.7279 4.6574 4.6574 6.6553 6.6553 10.8772 10.8772 11.3825 11.3825 k = 0.1034 0.1153 0.6983 ( 5716 PWs) bands (ev): -42.4179 -42.4179 -42.3955 -42.3955 -11.1440 -11.1440 -2.3416 -2.3416 -1.1825 -1.1825 -0.7432 -0.7432 0.7377 0.7377 4.6874 4.6874 6.6738 6.6738 10.8358 10.8358 11.3965 11.3965 k = 0.1121 0.1249 0.6983 ( 5722 PWs) bands (ev): -42.4176 -42.4176 -42.3958 -42.3958 -11.1437 -11.1437 -2.3355 -2.3355 -1.1922 -1.1922 -0.7591 -0.7591 0.7476 0.7476 4.7186 4.7186 6.6930 6.6930 10.7946 10.7946 11.4112 11.4112 k = 0.1207 0.1345 0.6983 ( 5722 PWs) bands (ev): -42.4173 -42.4173 -42.3961 -42.3961 -11.1434 -11.1434 -2.3292 -2.3292 -1.2021 -1.2021 -0.7751 -0.7751 0.7574 0.7574 4.7507 4.7507 6.7127 6.7127 10.7541 10.7541 11.4264 11.4264 k = 0.1293 0.1441 0.6983 ( 5720 PWs) bands (ev): -42.4169 -42.4169 -42.3965 -42.3965 -11.1431 -11.1431 -2.3228 -2.3228 -1.2122 -1.2122 -0.7908 -0.7908 0.7669 0.7669 4.7832 4.7832 6.7327 6.7327 10.7145 10.7145 11.4421 11.4421 k = 0.1379 0.1537 0.6983 ( 5720 PWs) bands (ev): -42.4166 -42.4166 -42.3968 -42.3968 -11.1428 -11.1428 -2.3163 -2.3163 -1.2224 -1.2224 -0.8062 -0.8062 0.7762 0.7762 4.8160 4.8160 6.7527 6.7527 10.6761 10.6761 11.4579 11.4579 k = 0.1466 0.1633 0.6983 ( 5722 PWs) bands (ev): -42.4162 -42.4162 -42.3972 -42.3972 -11.1424 -11.1424 -2.3098 -2.3098 -1.2324 -1.2324 -0.8210 -0.8210 0.7850 0.7850 4.8485 4.8485 6.7725 6.7725 10.6393 10.6393 11.4738 11.4738 k = 0.1552 0.1729 0.6983 ( 5722 PWs) bands (ev): -42.4158 -42.4158 -42.3976 -42.3976 -11.1421 -11.1421 -2.3034 -2.3034 -1.2423 -1.2423 -0.8352 -0.8352 0.7934 0.7934 4.8803 4.8803 6.7919 6.7919 10.6042 10.6042 11.4895 11.4895 k = 0.1638 0.1825 0.6983 ( 5722 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1418 -11.1418 -2.2971 -2.2971 -1.2519 -1.2519 -0.8486 -0.8486 0.8012 0.8012 4.9112 4.9112 6.8106 6.8106 10.5712 10.5712 11.5047 11.5047 k = 0.1724 0.1921 0.6983 ( 5724 PWs) bands (ev): -42.4151 -42.4151 -42.3983 -42.3983 -11.1416 -11.1416 -2.2911 -2.2911 -1.2610 -1.2610 -0.8611 -0.8611 0.8084 0.8084 4.9406 4.9406 6.8284 6.8284 10.5404 10.5404 11.5193 11.5193 k = 0.1810 0.2017 0.6983 ( 5718 PWs) bands (ev): -42.4148 -42.4148 -42.3986 -42.3986 -11.1413 -11.1413 -2.2855 -2.2855 -1.2695 -1.2695 -0.8725 -0.8725 0.8150 0.8150 4.9682 4.9682 6.8450 6.8450 10.5121 10.5121 11.5330 11.5330 k = 0.1897 0.2114 0.6983 ( 5720 PWs) bands (ev): -42.4145 -42.4145 -42.3989 -42.3989 -11.1411 -11.1411 -2.2803 -2.2803 -1.2774 -1.2774 -0.8828 -0.8828 0.8209 0.8209 4.9936 4.9936 6.8603 6.8603 10.4866 10.4866 11.5456 11.5456 k = 0.1983 0.2210 0.6983 ( 5720 PWs) bands (ev): -42.4142 -42.4142 -42.3992 -42.3992 -11.1409 -11.1409 -2.2755 -2.2755 -1.2844 -1.2844 -0.8919 -0.8919 0.8261 0.8261 5.0164 5.0164 6.8740 6.8740 10.4639 10.4639 11.5569 11.5569 k = 0.2069 0.2306 0.6983 ( 5724 PWs) bands (ev): -42.4139 -42.4139 -42.3995 -42.3995 -11.1407 -11.1407 -2.2714 -2.2714 -1.2906 -1.2906 -0.8998 -0.8998 0.8305 0.8305 5.0363 5.0363 6.8859 6.8859 10.4444 10.4444 11.5667 11.5667 k = 0.2155 0.2402 0.6983 ( 5716 PWs) bands (ev): -42.4137 -42.4137 -42.3997 -42.3997 -11.1405 -11.1405 -2.2679 -2.2679 -1.2958 -1.2958 -0.9062 -0.9062 0.8341 0.8341 5.0531 5.0531 6.8960 6.8960 10.4281 10.4281 11.5749 11.5749 k = 0.2241 0.2498 0.6983 ( 5716 PWs) bands (ev): -42.4135 -42.4135 -42.3999 -42.3999 -11.1404 -11.1404 -2.2651 -2.2651 -1.2999 -1.2999 -0.9113 -0.9113 0.8370 0.8370 5.0664 5.0664 6.9039 6.9039 10.4153 10.4153 11.5813 11.5813 k = 0.2328 0.2594 0.6983 ( 5718 PWs) bands (ev): -42.4133 -42.4133 -42.4001 -42.4001 -11.1403 -11.1403 -2.2630 -2.2630 -1.3029 -1.3029 -0.9150 -0.9150 0.8390 0.8390 5.0760 5.0760 6.9097 6.9097 10.4061 10.4061 11.5859 11.5859 k = 0.2414 0.2690 0.6983 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1403 -11.1403 -2.2618 -2.2618 -1.3047 -1.3047 -0.9172 -0.9172 0.8402 0.8402 5.0819 5.0819 6.9131 6.9131 10.4005 10.4005 11.5887 11.5887 k = 0.2500 0.2786 0.6983 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1402 -11.1402 -2.2614 -2.2614 -1.3053 -1.3053 -0.9180 -0.9180 0.8406 0.8406 5.0839 5.0839 6.9143 6.9143 10.3986 10.3986 11.5896 11.5896 k = 0.2500 0.2786 0.6983 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1402 -11.1402 -2.2614 -2.2614 -1.3053 -1.3053 -0.9180 -0.9180 0.8406 0.8406 5.0839 5.0839 6.9143 6.9143 10.3986 10.3986 11.5896 11.5896 k = 0.2424 0.2854 0.6906 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1403 -11.1403 -2.2605 -2.2605 -1.3091 -1.3091 -0.9137 -0.9137 0.8391 0.8391 5.0829 5.0829 6.9161 6.9161 10.3942 10.3942 11.5948 11.5948 k = 0.2348 0.2922 0.6829 ( 5714 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1403 -11.1403 -2.2578 -2.2578 -1.3198 -1.3198 -0.9014 -0.9014 0.8343 0.8343 5.0799 5.0799 6.9213 6.9213 10.3814 10.3814 11.6099 11.6099 k = 0.2273 0.2990 0.6752 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1404 -11.1404 -2.2533 -2.2533 -1.3362 -1.3362 -0.8822 -0.8822 0.8265 0.8265 5.0750 5.0750 6.9300 6.9300 10.3609 10.3609 11.6339 11.6339 k = 0.2197 0.3058 0.6675 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1405 -11.1405 -2.2471 -2.2471 -1.3570 -1.3570 -0.8577 -0.8577 0.8155 0.8155 5.0681 5.0681 6.9421 6.9421 10.3339 10.3339 11.6652 11.6652 k = 0.2121 0.3126 0.6598 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1407 -11.1407 -2.2391 -2.2391 -1.3807 -1.3807 -0.8292 -0.8292 0.8016 0.8016 5.0595 5.0595 6.9577 6.9577 10.3017 10.3017 11.7021 11.7021 k = 0.2045 0.3194 0.6521 ( 5724 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1409 -11.1409 -2.2294 -2.2294 -1.4065 -1.4065 -0.7977 -0.7977 0.7847 0.7847 5.0490 5.0490 6.9766 6.9766 10.2657 10.2657 11.7429 11.7429 k = 0.1970 0.3262 0.6444 ( 5722 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1411 -11.1411 -2.2181 -2.2181 -1.4334 -1.4334 -0.7642 -0.7642 0.7651 0.7651 5.0369 5.0369 6.9990 6.9990 10.2269 10.2269 11.6980 11.6980 k = 0.1894 0.3330 0.6367 ( 5722 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1414 -11.1414 -2.2051 -2.2051 -1.4608 -1.4608 -0.7291 -0.7291 0.7428 0.7428 5.0232 5.0232 7.0247 7.0247 10.1863 10.1863 11.5970 11.5970 k = 0.1818 0.3398 0.6290 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1417 -11.1417 -2.1906 -2.1906 -1.4885 -1.4885 -0.6930 -0.6930 0.7180 0.7180 5.0081 5.0081 7.0538 7.0538 10.1448 10.1448 11.4909 11.4909 k = 0.1742 0.3466 0.6213 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1420 -11.1420 -2.1746 -2.1746 -1.5160 -1.5160 -0.6562 -0.6562 0.6909 0.6909 4.9917 4.9917 7.0861 7.0861 10.1031 10.1031 11.3807 11.3807 k = 0.1667 0.3534 0.6136 ( 5714 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1424 -11.1424 -2.1571 -2.1571 -1.5431 -1.5431 -0.6192 -0.6192 0.6616 0.6616 4.9741 4.9741 7.1216 7.1216 10.0616 10.0616 11.2674 11.2674 k = 0.1591 0.3602 0.6059 ( 5708 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1427 -11.1427 -2.1383 -2.1383 -1.5697 -1.5697 -0.5820 -0.5820 0.6304 0.6304 4.9554 4.9554 7.1604 7.1604 10.0207 10.0207 11.1516 11.1516 k = 0.1515 0.3670 0.5982 ( 5714 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1431 -11.1431 -2.1183 -2.1183 -1.5955 -1.5955 -0.5450 -0.5450 0.5975 0.5975 4.9359 4.9359 7.2023 7.2023 9.9809 9.9809 11.0340 11.0340 k = 0.1439 0.3738 0.5905 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1435 -11.1435 -2.0971 -2.0971 -1.6205 -1.6205 -0.5084 -0.5084 0.5630 0.5630 4.9158 4.9158 7.2473 7.2473 9.9422 9.9422 10.9150 10.9150 k = 0.1364 0.3806 0.5828 ( 5718 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1439 -11.1439 -2.0749 -2.0749 -1.6447 -1.6447 -0.4723 -0.4723 0.5273 0.5273 4.8951 4.8951 7.2954 7.2954 9.9050 9.9051 10.7951 10.7951 k = 0.1288 0.3874 0.5752 ( 5712 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1443 -11.1443 -2.0519 -2.0519 -1.6678 -1.6678 -0.4369 -0.4369 0.4906 0.4906 4.8741 4.8741 7.3465 7.3465 9.8695 9.8695 10.6746 10.6746 k = 0.1212 0.3942 0.5675 ( 5708 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1447 -11.1447 -2.0282 -2.0282 -1.6898 -1.6898 -0.4024 -0.4024 0.4532 0.4532 4.8529 4.8529 7.4005 7.4005 9.8356 9.8356 10.5540 10.5540 k = 0.1136 0.4010 0.5598 ( 5704 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1451 -11.1451 -2.0039 -2.0039 -1.7107 -1.7107 -0.3690 -0.3690 0.4154 0.4154 4.8318 4.8318 7.4574 7.4574 9.8036 9.8036 10.4336 10.4336 k = 0.1061 0.4078 0.5521 ( 5702 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1455 -11.1455 -1.9792 -1.9792 -1.7305 -1.7305 -0.3369 -0.3369 0.3775 0.3775 4.8109 4.8109 7.5171 7.5171 9.7735 9.7735 10.3136 10.3136 k = 0.0985 0.4146 0.5444 ( 5704 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1459 -11.1459 -1.9544 -1.9544 -1.7490 -1.7490 -0.3061 -0.3061 0.3398 0.3398 4.7904 4.7904 7.5795 7.5795 9.7453 9.7453 10.1943 10.1943 k = 0.0909 0.4214 0.5367 ( 5706 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1462 -11.1462 -1.9297 -1.9297 -1.7663 -1.7663 -0.2768 -0.2768 0.3027 0.3027 4.7705 4.7705 7.6445 7.6445 9.7191 9.7191 10.0761 10.0761 k = 0.0833 0.4282 0.5290 ( 5702 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1466 -11.1466 -1.9053 -1.9053 -1.7823 -1.7823 -0.2492 -0.2492 0.2664 0.2664 4.7514 4.7514 7.7120 7.7120 9.6949 9.6949 9.9591 9.9591 k = 0.0758 0.4350 0.5213 ( 5706 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1469 -11.1469 -1.8815 -1.8815 -1.7970 -1.7970 -0.2235 -0.2235 0.2315 0.2315 4.7332 4.7332 7.7818 7.7818 9.6728 9.6728 9.8438 9.8438 k = 0.0682 0.4418 0.5136 ( 5704 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1472 -11.1472 -1.8586 -1.8586 -1.8104 -1.8104 -0.1998 -0.1998 0.1982 0.1982 4.7162 4.7162 7.8537 7.8537 9.6528 9.6528 9.7303 9.7303 k = 0.0606 0.4486 0.5059 ( 5706 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1475 -11.1475 -1.8369 -1.8369 -1.8223 -1.8223 -0.1781 -0.1781 0.1670 0.1670 4.7005 4.7005 7.9274 7.9274 9.6192 9.6192 9.6348 9.6348 k = 0.0530 0.4554 0.4982 ( 5706 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1478 -11.1478 -1.8331 -1.8331 -1.8166 -1.8166 -0.1587 -0.1587 0.1382 0.1382 4.6863 4.6863 8.0025 8.0025 9.5108 9.5108 9.6190 9.6190 k = 0.0455 0.4621 0.4905 ( 5698 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1480 -11.1480 -1.8423 -1.8423 -1.7983 -1.7983 -0.1416 -0.1416 0.1122 0.1122 4.6736 4.6736 8.0784 8.0784 9.4060 9.4060 9.6052 9.6052 k = 0.0379 0.4689 0.4828 ( 5698 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1482 -11.1482 -1.8502 -1.8502 -1.7820 -1.7820 -0.1270 -0.1270 0.0895 0.0895 4.6627 4.6627 8.1541 8.1541 9.3057 9.3057 9.5936 9.5936 k = 0.0303 0.4757 0.4751 ( 5690 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1484 -11.1484 -1.8566 -1.8566 -1.7683 -1.7683 -0.1149 -0.1149 0.0703 0.0703 4.6535 4.6535 8.2280 8.2280 9.2116 9.2116 9.5841 9.5841 k = 0.0227 0.4825 0.4674 ( 5692 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1485 -11.1485 -1.8616 -1.8616 -1.7573 -1.7573 -0.1054 -0.1054 0.0550 0.0550 4.6464 4.6464 8.2974 8.2974 9.1264 9.1264 9.5767 9.5767 k = 0.0152 0.4893 0.4597 ( 5688 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1486 -11.1486 -1.8652 -1.8652 -1.7492 -1.7492 -0.0985 -0.0985 0.0439 0.0439 4.6412 4.6412 8.3576 8.3576 9.0550 9.0550 9.5714 9.5714 k = 0.0076 0.4961 0.4520 ( 5686 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1487 -11.1487 -1.8674 -1.8674 -1.7443 -1.7443 -0.0944 -0.0944 0.0372 0.0372 4.6380 4.6380 8.4005 8.4005 9.0052 9.0052 9.5682 9.5682 k = 0.0000 0.5029 0.4444 ( 5686 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1487 -11.1487 -1.8681 -1.8681 -1.7426 -1.7426 -0.0930 -0.0930 0.0349 0.0349 4.6370 4.6370 8.4165 8.4165 8.9870 8.9870 9.5672 9.5672 k = 0.0000 0.5029 0.4444 ( 5686 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1487 -11.1487 -1.8681 -1.8681 -1.7426 -1.7426 -0.0930 -0.0930 0.0349 0.0349 4.6370 4.6370 8.4165 8.4165 8.9870 8.9870 9.5672 9.5672 k = 0.0104 0.5080 0.4386 ( 5686 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1486 -11.1486 -1.8674 -1.8674 -1.7439 -1.7439 -0.0976 -0.0976 0.0386 0.0386 4.6401 4.6401 8.4154 8.4154 8.9703 8.9703 9.5859 9.5859 k = 0.0207 0.5131 0.4329 ( 5688 PWs) bands (ev): -42.4133 -42.4133 -42.4001 -42.4001 -11.1484 -11.1484 -1.8654 -1.8654 -1.7475 -1.7475 -0.1101 -0.1101 0.0484 0.0484 4.6496 4.6496 8.4120 8.4120 8.9257 8.9257 9.6368 9.6368 k = 0.0311 0.5181 0.4272 ( 5690 PWs) bands (ev): -42.4133 -42.4133 -42.4001 -42.4001 -11.1481 -11.1481 -1.8619 -1.8619 -1.7535 -1.7535 -0.1279 -0.1279 0.0618 0.0618 4.6653 4.6653 8.4062 8.4062 8.8635 8.8635 9.7092 9.7092 k = 0.0415 0.5232 0.4214 ( 5701 PWs) bands (ev): -42.4134 -42.4134 -42.4001 -42.4001 -11.1477 -11.1477 -1.8571 -1.8571 -1.7618 -1.7618 -0.1491 -0.1491 0.0768 0.0768 4.6872 4.6872 8.3983 8.3983 8.7922 8.7922 9.7948 9.7948 k = 0.0518 0.5283 0.4157 ( 5704 PWs) bands (ev): -42.4134 -42.4134 -42.4000 -42.4000 -11.1472 -11.1472 -1.8510 -1.8510 -1.7724 -1.7724 -0.1727 -0.1727 0.0924 0.0924 4.7152 4.7152 8.3882 8.3882 8.7168 8.7168 9.8883 9.8883 k = 0.0622 0.5333 0.4100 ( 5708 PWs) bands (ev): -42.4135 -42.4135 -42.3999 -42.3999 -11.1465 -11.1465 -1.8435 -1.8435 -1.7852 -1.7852 -0.1978 -0.1978 0.1079 0.1079 4.7492 4.7492 8.3761 8.3761 8.6403 8.6403 9.9867 9.9867 k = 0.0726 0.5384 0.4042 ( 5702 PWs) bands (ev): -42.4136 -42.4136 -42.3998 -42.3998 -11.1458 -11.1458 -1.8346 -1.8346 -1.8000 -1.8000 -0.2242 -0.2242 0.1229 0.1229 4.7891 4.7891 8.3620 8.3620 8.5644 8.5644 10.0878 10.0878 k = 0.0829 0.5435 0.3985 ( 5696 PWs) bands (ev): -42.4137 -42.4137 -42.3997 -42.3997 -11.1449 -11.1449 -1.8245 -1.8245 -1.8167 -1.8167 -0.2516 -0.2516 0.1372 0.1372 4.8347 4.8347 8.3459 8.3459 8.4902 8.4902 10.1905 10.1905 k = 0.0933 0.5485 0.3928 ( 5696 PWs) bands (ev): -42.4138 -42.4138 -42.3996 -42.3996 -11.1440 -11.1440 -1.8355 -1.8355 -1.8128 -1.8128 -0.2798 -0.2798 0.1506 0.1506 4.8859 4.8859 8.3282 8.3282 8.4184 8.4184 10.2937 10.2937 k = 0.1037 0.5536 0.3870 ( 5697 PWs) bands (ev): -42.4140 -42.4140 -42.3995 -42.3995 -11.1429 -11.1429 -1.8557 -1.8557 -1.7999 -1.7999 -0.3087 -0.3087 0.1631 0.1631 4.9424 4.9424 8.3088 8.3088 8.3496 8.3496 10.3966 10.3966 k = 0.1141 0.5587 0.3813 ( 5705 PWs) bands (ev): -42.4141 -42.4141 -42.3993 -42.3993 -11.1418 -11.1418 -1.8776 -1.8776 -1.7858 -1.7858 -0.3382 -0.3382 0.1745 0.1745 5.0041 5.0041 8.2839 8.2839 8.2879 8.2879 10.4986 10.4986 k = 0.1244 0.5637 0.3755 ( 5705 PWs) bands (ev): -42.4142 -42.4142 -42.3992 -42.3992 -11.1406 -11.1406 -1.9008 -1.9008 -1.7703 -1.7703 -0.3682 -0.3682 0.1849 0.1849 5.0708 5.0708 8.2219 8.2219 8.2657 8.2657 10.5991 10.5991 k = 0.1348 0.5688 0.3698 ( 5703 PWs) bands (ev): -42.4143 -42.4143 -42.3991 -42.3991 -11.1393 -11.1393 -1.9253 -1.9253 -1.7535 -1.7535 -0.3986 -0.3986 0.1943 0.1943 5.1422 5.1422 8.1635 8.1635 8.2422 8.2422 10.6976 10.6976 k = 0.1452 0.5739 0.3641 ( 5705 PWs) bands (ev): -42.4145 -42.4145 -42.3990 -42.3990 -11.1380 -11.1380 -1.9508 -1.9508 -1.7355 -1.7355 -0.4294 -0.4294 0.2025 0.2025 5.2182 5.2182 8.1089 8.1089 8.2178 8.2178 10.7936 10.7936 k = 0.1555 0.5789 0.3583 ( 5709 PWs) bands (ev): -42.4146 -42.4146 -42.3988 -42.3988 -11.1367 -11.1367 -1.9773 -1.9773 -1.7162 -1.7162 -0.4605 -0.4605 0.2096 0.2096 5.2984 5.2984 8.0583 8.0583 8.1924 8.1924 10.8867 10.8867 k = 0.1659 0.5840 0.3526 ( 5699 PWs) bands (ev): -42.4147 -42.4147 -42.3987 -42.3987 -11.1353 -11.1353 -2.0045 -2.0045 -1.6957 -1.6957 -0.4919 -0.4919 0.2157 0.2157 5.3826 5.3826 8.0116 8.0116 8.1663 8.1663 10.9765 10.9765 k = 0.1763 0.5891 0.3469 ( 5699 PWs) bands (ev): -42.4148 -42.4148 -42.3986 -42.3986 -11.1339 -11.1339 -2.0323 -2.0323 -1.6740 -1.6740 -0.5235 -0.5235 0.2208 0.2208 5.4705 5.4705 7.9689 7.9689 8.1396 8.1396 11.0628 11.0628 k = 0.1866 0.5941 0.3411 ( 5702 PWs) bands (ev): -42.4149 -42.4149 -42.3985 -42.3985 -11.1325 -11.1325 -2.0606 -2.0606 -1.6511 -1.6511 -0.5552 -0.5552 0.2248 0.2248 5.5620 5.5620 7.9303 7.9303 8.1126 8.1126 11.1453 11.1453 k = 0.1970 0.5992 0.3354 ( 5710 PWs) bands (ev): -42.4150 -42.4150 -42.3984 -42.3984 -11.1312 -11.1312 -2.0893 -2.0893 -1.6270 -1.6270 -0.5870 -0.5870 0.2279 0.2279 5.6567 5.6567 7.8957 7.8957 8.0853 8.0853 11.2239 11.2239 k = 0.2074 0.6042 0.3297 ( 5702 PWs) bands (ev): -42.4151 -42.4151 -42.3983 -42.3983 -11.1298 -11.1298 -2.1181 -2.1181 -1.6019 -1.6019 -0.6189 -0.6189 0.2301 0.2301 5.7542 5.7542 7.8650 7.8650 8.0579 8.0579 11.2985 11.2985 k = 0.2177 0.6093 0.3239 ( 5702 PWs) bands (ev): -42.4152 -42.4152 -42.3982 -42.3982 -11.1285 -11.1285 -2.1469 -2.1469 -1.5756 -1.5756 -0.6507 -0.6507 0.2314 0.2314 5.8544 5.8544 7.8381 7.8381 8.0307 8.0307 11.3691 11.3691 k = 0.2281 0.6144 0.3182 ( 5702 PWs) bands (ev): -42.4153 -42.4153 -42.3981 -42.3981 -11.1272 -11.1272 -2.1757 -2.1757 -1.5482 -1.5482 -0.6825 -0.6825 0.2319 0.2319 5.9567 5.9567 7.8151 7.8151 8.0038 8.0038 11.4356 11.4356 k = 0.2385 0.6194 0.3125 ( 5705 PWs) bands (ev): -42.4154 -42.4154 -42.3981 -42.3981 -11.1260 -11.1260 -2.2042 -2.2042 -1.5198 -1.5198 -0.7142 -0.7142 0.2317 0.2317 6.0610 6.0610 7.7959 7.7959 7.9774 7.9774 11.4982 11.4982 k = 0.2488 0.6245 0.3067 ( 5699 PWs) bands (ev): -42.4154 -42.4154 -42.3980 -42.3980 -11.1249 -11.1249 -2.2324 -2.2324 -1.4905 -1.4905 -0.7457 -0.7457 0.2309 0.2309 6.1667 6.1667 7.7802 7.7802 7.9518 7.9518 11.5570 11.5570 k = 0.2592 0.6296 0.3010 ( 5701 PWs) bands (ev): -42.4155 -42.4155 -42.3980 -42.3980 -11.1239 -11.1239 -2.2602 -2.2602 -1.4602 -1.4602 -0.7769 -0.7769 0.2295 0.2295 6.2733 6.2733 7.7681 7.7681 7.9273 7.9273 11.6120 11.6120 k = 0.2696 0.6346 0.2953 ( 5691 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1230 -11.1230 -2.2875 -2.2875 -1.4289 -1.4289 -0.8079 -0.8079 0.2276 0.2276 6.3805 6.3805 7.7593 7.7593 7.9041 7.9041 11.6632 11.6632 k = 0.2800 0.6397 0.2895 ( 5695 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1222 -11.1222 -2.3141 -2.3141 -1.3969 -1.3969 -0.8385 -0.8385 0.2253 0.2253 6.4874 6.4874 7.7538 7.7538 7.8827 7.8827 11.7107 11.7107 k = 0.2903 0.6448 0.2838 ( 5694 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1215 -11.1215 -2.3399 -2.3399 -1.3640 -1.3640 -0.8687 -0.8687 0.2227 0.2227 6.5933 6.5933 7.7514 7.7514 7.8637 7.8637 11.7541 11.7541 k = 0.3007 0.6498 0.2781 ( 5688 PWs) bands (ev): -42.4155 -42.4155 -42.3979 -42.3979 -11.1210 -11.1210 -2.3650 -2.3650 -1.3304 -1.3304 -0.8983 -0.8983 0.2198 0.2198 6.6974 6.6974 7.7521 7.7521 7.8476 7.8476 11.7926 11.7926 k = 0.3111 0.6549 0.2723 ( 5690 PWs) bands (ev): -42.4155 -42.4155 -42.3980 -42.3980 -11.1207 -11.1207 -2.3892 -2.3892 -1.2962 -1.2962 -0.9274 -0.9274 0.2168 0.2168 6.7983 6.7983 7.7556 7.7556 7.8355 7.8355 11.8239 11.8239 k = 0.3214 0.6600 0.2666 ( 5681 PWs) bands (ev): -42.4155 -42.4155 -42.3980 -42.3980 -11.1205 -11.1205 -2.4124 -2.4124 -1.2615 -1.2615 -0.9558 -0.9558 0.2138 0.2138 6.8944 6.8944 7.7618 7.7618 7.8286 7.8286 11.8427 11.8427 k = 0.3318 0.6650 0.2609 ( 5683 PWs) bands (ev): -42.4154 -42.4154 -42.3981 -42.3981 -11.1206 -11.1206 -2.4345 -2.4345 -1.2266 -1.2266 -0.9832 -0.9832 0.2108 0.2108 6.9839 6.9839 7.7706 7.7706 7.8284 7.8284 11.8379 11.8379 k = 0.3422 0.6701 0.2551 ( 5687 PWs) bands (ev): -42.4153 -42.4153 -42.3982 -42.3982 -11.1208 -11.1208 -2.4555 -2.4555 -1.1917 -1.1917 -1.0093 -1.0093 0.2080 0.2080 7.0644 7.0644 7.7819 7.7819 7.8370 7.8370 11.7997 11.7997 k = 0.3525 0.6752 0.2494 ( 5681 PWs) bands (ev): -42.4152 -42.4152 -42.3983 -42.3983 -11.1213 -11.1213 -2.4754 -2.4754 -1.1582 -1.1582 -1.0329 -1.0329 0.2053 0.2053 7.1333 7.1333 7.7956 7.7956 7.8565 7.8565 11.7361 11.7361 k = 0.3629 0.6802 0.2437 ( 5681 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1220 -11.1220 -2.4940 -2.4940 -1.1298 -1.1298 -1.0501 -1.0501 0.2030 0.2030 7.1886 7.1886 7.8116 7.8116 7.8884 7.8884 11.6603 11.6603 k = 0.3629 0.6802 0.2437 ( 5681 PWs) bands (ev): -42.4152 -42.4152 -42.3984 -42.3984 -11.1220 -11.1220 -2.4940 -2.4940 -1.1298 -1.1298 -1.0501 -1.0501 0.2030 0.2030 7.1886 7.1886 7.8116 7.8116 7.8884 7.8884 11.6603 11.6603 k = 0.3686 0.6751 0.2335 ( 5671 PWs) bands (ev): -42.4150 -42.4150 -42.3986 -42.3986 -11.1235 -11.1235 -2.5255 -2.5255 -1.0898 -1.0898 -1.0684 -1.0684 0.1989 0.1989 7.2745 7.2745 7.8416 7.8416 7.9553 7.9553 11.5222 11.5222 k = 0.3743 0.6700 0.2234 ( 5667 PWs) bands (ev): -42.4148 -42.4148 -42.3988 -42.3988 -11.1253 -11.1253 -2.5560 -2.5560 -1.0864 -1.0864 -1.0483 -1.0483 0.1943 0.1943 7.3616 7.3616 7.8713 7.8713 8.0201 8.0201 11.3883 11.3883 k = 0.3800 0.6649 0.2132 ( 5667 PWs) bands (ev): -42.4146 -42.4146 -42.3990 -42.3990 -11.1271 -11.1271 -2.5855 -2.5855 -1.1033 -1.1033 -1.0063 -1.0063 0.1891 0.1891 7.4498 7.4498 7.9001 7.9001 8.0827 8.0827 11.2594 11.2594 k = 0.3858 0.6597 0.2031 ( 5671 PWs) bands (ev): -42.4145 -42.4145 -42.3992 -42.3992 -11.1291 -11.1291 -2.6140 -2.6140 -1.1195 -1.1195 -0.9635 -0.9635 0.1835 0.1835 7.5387 7.5387 7.9278 7.9278 8.1431 8.1431 11.1360 11.1360 k = 0.3915 0.6546 0.1929 ( 5675 PWs) bands (ev): -42.4143 -42.4143 -42.3994 -42.3994 -11.1311 -11.1311 -2.6414 -2.6414 -1.1350 -1.1350 -0.9201 -0.9201 0.1774 0.1774 7.6281 7.6281 7.9538 7.9538 8.2010 8.2010 11.0187 11.0187 k = 0.3972 0.6495 0.1828 ( 5679 PWs) bands (ev): -42.4142 -42.4142 -42.3996 -42.3996 -11.1333 -11.1333 -2.6677 -2.6677 -1.1497 -1.1497 -0.8763 -0.8763 0.1708 0.1708 7.7177 7.7177 7.9777 7.9777 8.2564 8.2564 10.9080 10.9080 k = 0.4029 0.6444 0.1726 ( 5679 PWs) bands (ev): -42.4141 -42.4141 -42.3998 -42.3998 -11.1354 -11.1354 -2.6928 -2.6928 -1.1637 -1.1637 -0.8324 -0.8324 0.1638 0.1638 7.8072 7.8072 7.9992 7.9992 8.3092 8.3092 10.8046 10.8046 k = 0.4086 0.6392 0.1625 ( 5685 PWs) bands (ev): -42.4140 -42.4140 -42.3999 -42.3999 -11.1376 -11.1376 -2.7167 -2.7167 -1.1769 -1.1769 -0.7886 -0.7886 0.1564 0.1564 7.8963 7.8963 8.0180 8.0180 8.3593 8.3593 10.7087 10.7087 k = 0.4143 0.6341 0.1523 ( 5683 PWs) bands (ev): -42.4138 -42.4138 -42.4001 -42.4001 -11.1398 -11.1398 -2.7393 -2.7393 -1.1893 -1.1893 -0.7450 -0.7450 0.1485 0.1485 7.9845 7.9845 8.0336 8.0336 8.4066 8.4066 10.6208 10.6208 k = 0.4200 0.6290 0.1421 ( 5687 PWs) bands (ev): -42.4137 -42.4137 -42.4002 -42.4002 -11.1420 -11.1420 -2.7606 -2.7606 -1.2010 -1.2010 -0.7019 -0.7019 0.1402 0.1402 8.0459 8.0459 8.0715 8.0715 8.4511 8.4511 10.5411 10.5411 k = 0.4257 0.6238 0.1320 ( 5695 PWs) bands (ev): -42.4136 -42.4136 -42.4004 -42.4004 -11.1441 -11.1441 -2.7805 -2.7805 -1.2119 -1.2119 -0.6596 -0.6596 0.1316 0.1316 8.0549 8.0549 8.1566 8.1566 8.4927 8.4927 10.4697 10.4697 k = 0.4315 0.6187 0.1218 ( 5696 PWs) bands (ev): -42.4135 -42.4135 -42.4005 -42.4005 -11.1461 -11.1461 -2.7992 -2.7992 -1.2219 -1.2219 -0.6182 -0.6182 0.1226 0.1226 8.0604 8.0604 8.2396 8.2396 8.5314 8.5314 10.4067 10.4067 k = 0.4372 0.6136 0.1117 ( 5700 PWs) bands (ev): -42.4134 -42.4134 -42.4006 -42.4006 -11.1480 -11.1480 -2.8164 -2.8164 -1.2312 -1.2312 -0.5780 -0.5780 0.1132 0.1132 8.0628 8.0628 8.3198 8.3198 8.5671 8.5671 10.3517 10.3517 k = 0.4429 0.6085 0.1015 ( 5696 PWs) bands (ev): -42.4134 -42.4134 -42.4007 -42.4007 -11.1499 -11.1499 -2.8322 -2.8322 -1.2397 -1.2397 -0.5394 -0.5394 0.1036 0.1036 8.0622 8.0622 8.3966 8.3966 8.5997 8.5997 10.3046 10.3046 k = 0.4486 0.6033 0.0914 ( 5688 PWs) bands (ev): -42.4133 -42.4133 -42.4008 -42.4008 -11.1516 -11.1516 -2.8466 -2.8466 -1.2474 -1.2474 -0.5024 -0.5024 0.0937 0.0937 8.0590 8.0590 8.4693 8.4693 8.6294 8.6294 10.2649 10.2649 k = 0.4543 0.5982 0.0812 ( 5696 PWs) bands (ev): -42.4132 -42.4132 -42.4009 -42.4009 -11.1532 -11.1532 -2.8595 -2.8595 -1.2543 -1.2543 -0.4676 -0.4676 0.0836 0.0836 8.0539 8.0539 8.5373 8.5373 8.6559 8.6559 10.2319 10.2319 k = 0.4600 0.5931 0.0711 ( 5700 PWs) bands (ev): -42.4132 -42.4132 -42.4010 -42.4010 -11.1546 -11.1546 -2.8709 -2.8709 -1.2604 -1.2604 -0.4351 -0.4351 0.0736 0.0736 8.0474 8.0474 8.5998 8.5998 8.6794 8.6794 10.2051 10.2051 k = 0.4657 0.5880 0.0609 ( 5704 PWs) bands (ev): -42.4131 -42.4131 -42.4011 -42.4011 -11.1559 -11.1559 -2.8809 -2.8809 -1.2657 -1.2657 -0.4053 -0.4053 0.0637 0.0637 8.0401 8.0401 8.6560 8.6560 8.6998 8.6998 10.1836 10.1836 k = 0.4714 0.5828 0.0508 ( 5696 PWs) bands (ev): -42.4131 -42.4131 -42.4011 -42.4011 -11.1570 -11.1570 -2.8893 -2.8893 -1.2701 -1.2701 -0.3787 -0.3787 0.0542 0.0542 8.0327 8.0327 8.7046 8.7046 8.7177 8.7177 10.1669 10.1669 k = 0.4772 0.5777 0.0406 ( 5700 PWs) bands (ev): -42.4131 -42.4131 -42.4012 -42.4012 -11.1579 -11.1579 -2.8963 -2.8963 -1.2738 -1.2738 -0.3558 -0.3558 0.0455 0.0455 8.0257 8.0257 8.7302 8.7302 8.7478 8.7478 10.1542 10.1542 k = 0.4829 0.5726 0.0305 ( 5698 PWs) bands (ev): -42.4130 -42.4130 -42.4012 -42.4012 -11.1586 -11.1586 -2.9017 -2.9017 -1.2766 -1.2766 -0.3371 -0.3371 0.0380 0.0380 8.0197 8.0197 8.7416 8.7416 8.7805 8.7805 10.1450 10.1450 k = 0.4886 0.5675 0.0203 ( 5694 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1591 -11.1591 -2.9055 -2.9055 -1.2787 -1.2787 -0.3231 -0.3231 0.0321 0.0321 8.0150 8.0150 8.7495 8.7495 8.8045 8.8045 10.1388 10.1388 k = 0.4943 0.5623 0.0102 ( 5690 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1594 -11.1594 -2.9078 -2.9078 -1.2799 -1.2799 -0.3145 -0.3145 0.0283 0.0283 8.0121 8.0121 8.7542 8.7542 8.8192 8.8192 10.1352 10.1352 k = 0.5000 0.5572-0.0000 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1595 -11.1595 -2.9086 -2.9086 -1.2803 -1.2803 -0.3115 -0.3115 0.0270 0.0270 8.0111 8.0111 8.7558 8.7558 8.8241 8.8241 10.1341 10.1341 k = 0.5000 0.5572-0.0000 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1595 -11.1595 -2.9086 -2.9086 -1.2803 -1.2803 -0.3115 -0.3115 0.0270 0.0270 8.0111 8.0111 8.7558 8.7558 8.8241 8.8241 10.1341 10.1341 k = 0.4914 0.5476-0.0000 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1597 -11.1597 -2.9077 -2.9077 -1.2810 -1.2810 -0.3110 -0.3110 0.0284 0.0284 8.0129 8.0129 8.7504 8.7504 8.8230 8.8230 10.1330 10.1330 k = 0.4828 0.5380-0.0000 ( 5696 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1604 -11.1604 -2.9050 -2.9050 -1.2830 -1.2830 -0.3094 -0.3094 0.0324 0.0324 8.0181 8.0181 8.7344 8.7344 8.8196 8.8196 10.1296 10.1296 k = 0.4741 0.5284-0.0000 ( 5700 PWs) bands (ev): -42.4129 -42.4129 -42.4014 -42.4014 -11.1614 -11.1614 -2.9005 -2.9005 -1.2862 -1.2862 -0.3067 -0.3067 0.0391 0.0391 8.0268 8.0268 8.7079 8.7079 8.8141 8.8141 10.1241 10.1241 k = 0.4655 0.5188-0.0000 ( 5704 PWs) bands (ev): -42.4129 -42.4129 -42.4014 -42.4014 -11.1628 -11.1628 -2.8942 -2.8942 -1.2906 -1.2906 -0.3030 -0.3030 0.0482 0.0482 8.0391 8.0391 8.6716 8.6716 8.8064 8.8064 10.1165 10.1165 k = 0.4569 0.5092-0.0000 ( 5704 PWs) bands (ev): -42.4128 -42.4128 -42.4015 -42.4015 -11.1647 -11.1647 -2.8862 -2.8862 -1.2960 -1.2960 -0.2983 -0.2983 0.0597 0.0597 8.0548 8.0548 8.6260 8.6260 8.7966 8.7966 10.1067 10.1067 k = 0.4483 0.4996-0.0000 ( 5692 PWs) bands (ev): -42.4127 -42.4127 -42.4016 -42.4016 -11.1670 -11.1670 -2.8764 -2.8764 -1.3024 -1.3024 -0.2925 -0.2925 0.0734 0.0734 8.0740 8.0740 8.5717 8.5717 8.7847 8.7847 10.0950 10.0950 k = 0.4397 0.4900-0.0000 ( 5696 PWs) bands (ev): -42.4126 -42.4126 -42.4017 -42.4017 -11.1696 -11.1696 -2.8648 -2.8648 -1.3095 -1.3095 -0.2856 -0.2856 0.0891 0.0891 8.0966 8.0966 8.5097 8.5097 8.7708 8.7708 10.0813 10.0813 k = 0.4310 0.4804-0.0000 ( 5688 PWs) bands (ev): -42.4125 -42.4125 -42.4018 -42.4018 -11.1727 -11.1727 -2.8514 -2.8514 -1.3172 -1.3172 -0.2778 -0.2778 0.1065 0.1065 8.1227 8.1227 8.4406 8.4406 8.7550 8.7550 10.0659 10.0659 k = 0.4224 0.4707-0.0000 ( 5706 PWs) bands (ev): -42.4125 -42.4125 -42.4019 -42.4019 -11.1761 -11.1761 -2.8363 -2.8363 -1.3253 -1.3253 -0.2690 -0.2690 0.1255 0.1255 8.1523 8.1523 8.3652 8.3652 8.7373 8.7373 10.0489 10.0489 k = 0.4138 0.4611-0.0000 ( 5708 PWs) bands (ev): -42.4124 -42.4124 -42.4020 -42.4020 -11.1799 -11.1799 -2.8195 -2.8195 -1.3336 -1.3336 -0.2592 -0.2592 0.1457 0.1457 8.1853 8.1853 8.2842 8.2842 8.7179 8.7179 10.0303 10.0303 k = 0.4052 0.4515-0.0000 ( 5712 PWs) bands (ev): -42.4123 -42.4123 -42.4021 -42.4021 -11.1840 -11.1840 -2.8010 -2.8010 -1.3420 -1.3420 -0.2484 -0.2484 0.1669 0.1669 8.1982 8.1982 8.2217 8.2217 8.6967 8.6967 10.0104 10.0104 k = 0.3966 0.4419-0.0000 ( 5712 PWs) bands (ev): -42.4123 -42.4123 -42.4022 -42.4022 -11.1885 -11.1885 -2.7809 -2.7809 -1.3503 -1.3503 -0.2367 -0.2367 0.1890 0.1890 8.1082 8.1082 8.2612 8.2612 8.6740 8.6740 9.9895 9.9895 k = 0.3879 0.4323-0.0000 ( 5720 PWs) bands (ev): -42.4123 -42.4123 -42.4023 -42.4023 -11.1933 -11.1933 -2.7590 -2.7590 -1.3583 -1.3583 -0.2242 -0.2242 0.2116 0.2116 8.0145 8.0145 8.3040 8.3040 8.6498 8.6498 9.9676 9.9676 k = 0.3793 0.4227-0.0000 ( 5714 PWs) bands (ev): -42.4123 -42.4123 -42.4023 -42.4023 -11.1984 -11.1984 -2.7356 -2.7356 -1.3659 -1.3659 -0.2107 -0.2107 0.2345 0.2345 7.9176 7.9176 8.3498 8.3498 8.6242 8.6242 9.9452 9.9452 k = 0.3707 0.4131-0.0000 ( 5710 PWs) bands (ev): -42.4123 -42.4123 -42.4023 -42.4023 -11.2039 -11.2039 -2.7105 -2.7105 -1.3729 -1.3729 -0.1964 -0.1964 0.2576 0.2576 7.8180 7.8180 8.3985 8.3985 8.5974 8.5974 9.9225 9.9225 k = 0.3621 0.4035-0.0000 ( 5710 PWs) bands (ev): -42.4124 -42.4124 -42.4022 -42.4022 -11.2096 -11.2096 -2.6839 -2.6839 -1.3794 -1.3794 -0.1814 -0.1814 0.2806 0.2806 7.7162 7.7162 8.4498 8.4498 8.5694 8.5694 9.8999 9.8999 k = 0.3534 0.3939-0.0000 ( 5710 PWs) bands (ev): -42.4126 -42.4126 -42.4021 -42.4021 -11.2156 -11.2156 -2.6557 -2.6557 -1.3850 -1.3850 -0.1655 -0.1655 0.3033 0.3033 7.6125 7.6125 8.5033 8.5033 8.5404 8.5404 9.8779 9.8779 k = 0.3448 0.3843-0.0000 ( 5710 PWs) bands (ev): -42.4127 -42.4127 -42.4020 -42.4020 -11.2218 -11.2218 -2.6260 -2.6260 -1.3898 -1.3898 -0.1489 -0.1489 0.3255 0.3255 7.5073 7.5073 8.5104 8.5104 8.5588 8.5588 9.8570 9.8570 k = 0.3362 0.3747-0.0000 ( 5706 PWs) bands (ev): -42.4130 -42.4130 -42.4018 -42.4018 -11.2283 -11.2283 -2.5949 -2.5949 -1.3937 -1.3937 -0.1317 -0.1317 0.3471 0.3471 7.4008 7.4008 8.4797 8.4797 8.6153 8.6153 9.8380 9.8380 k = 0.3276 0.3651-0.0000 ( 5700 PWs) bands (ev): -42.4133 -42.4133 -42.4015 -42.4015 -11.2350 -11.2350 -2.5624 -2.5624 -1.3965 -1.3965 -0.1138 -0.1138 0.3679 0.3679 7.2934 7.2934 8.4483 8.4483 8.6723 8.6723 9.8217 9.8217 k = 0.3190 0.3555-0.0000 ( 5712 PWs) bands (ev): -42.4136 -42.4136 -42.4012 -42.4012 -11.2419 -11.2419 -2.5285 -2.5285 -1.3983 -1.3983 -0.0953 -0.0953 0.3878 0.3878 7.1852 7.1852 8.4163 8.4163 8.7286 8.7286 9.8091 9.8091 k = 0.3103 0.3459-0.0000 ( 5708 PWs) bands (ev): -42.4140 -42.4140 -42.4009 -42.4009 -11.2489 -11.2489 -2.4932 -2.4932 -1.3989 -1.3989 -0.0762 -0.0762 0.4066 0.4066 7.0766 7.0766 8.3838 8.3838 8.7831 8.7831 9.8017 9.8017 k = 0.3017 0.3362-0.0000 ( 5710 PWs) bands (ev): -42.4144 -42.4144 -42.4005 -42.4005 -11.2561 -11.2561 -2.4568 -2.4568 -1.3984 -1.3984 -0.0566 -0.0566 0.4243 0.4243 6.9677 6.9677 8.3510 8.3510 8.8339 8.8339 9.8010 9.8010 k = 0.2931 0.3266-0.0000 ( 5715 PWs) bands (ev): -42.4149 -42.4149 -42.4001 -42.4001 -11.2634 -11.2634 -2.4191 -2.4191 -1.3968 -1.3968 -0.0366 -0.0366 0.4406 0.4406 6.8587 6.8587 8.3180 8.3180 8.8795 8.8795 9.8088 9.8088 k = 0.2845 0.3170-0.0000 ( 5711 PWs) bands (ev): -42.4153 -42.4153 -42.3997 -42.3997 -11.2709 -11.2709 -2.3803 -2.3803 -1.3939 -1.3939 -0.0162 -0.0162 0.4556 0.4556 6.7499 6.7499 8.2848 8.2848 8.9180 8.9180 9.8266 9.8266 k = 0.2759 0.3074-0.0000 ( 5723 PWs) bands (ev): -42.4158 -42.4158 -42.3992 -42.3992 -11.2784 -11.2784 -2.3404 -2.3404 -1.3898 -1.3898 0.0046 0.0046 0.4692 0.4692 6.6413 6.6413 8.2515 8.2515 8.9478 8.9478 9.8559 9.8559 k = 0.2672 0.2978-0.0000 ( 5723 PWs) bands (ev): -42.4164 -42.4164 -42.3988 -42.3988 -11.2860 -11.2860 -2.2995 -2.2995 -1.3845 -1.3845 0.0256 0.0256 0.4812 0.4812 6.5332 6.5332 8.2184 8.2184 8.9683 8.9683 9.8972 9.8972 k = 0.2586 0.2882-0.0000 ( 5731 PWs) bands (ev): -42.4169 -42.4169 -42.3983 -42.3983 -11.2936 -11.2936 -2.2577 -2.2577 -1.3780 -1.3780 0.0469 0.0469 0.4918 0.4918 6.4257 6.4257 8.1854 8.1854 8.9794 8.9794 9.9500 9.9500 k = 0.2500 0.2786-0.0000 ( 5729 PWs) bands (ev): -42.4175 -42.4175 -42.3978 -42.3978 -11.3013 -11.3013 -2.2150 -2.2150 -1.3703 -1.3703 0.0683 0.0683 0.5007 0.5007 6.3190 6.3190 8.1527 8.1527 8.9819 8.9819 10.0130 10.0130 k = 0.2414 0.2690-0.0000 ( 5725 PWs) bands (ev): -42.4180 -42.4180 -42.3972 -42.3972 -11.3089 -11.3089 -2.1716 -2.1716 -1.3614 -1.3614 0.0899 0.0899 0.5080 0.5080 6.2133 6.2133 8.1203 8.1203 8.9769 8.9769 10.0843 10.0843 k = 0.2328 0.2594-0.0000 ( 5727 PWs) bands (ev): -42.4186 -42.4186 -42.3967 -42.3967 -11.3165 -11.3165 -2.1276 -2.1276 -1.3514 -1.3514 0.1115 0.1115 0.5137 0.5137 6.1086 6.1086 8.0883 8.0883 8.9660 8.9660 10.1615 10.1615 k = 0.2241 0.2498-0.0000 ( 5723 PWs) bands (ev): -42.4192 -42.4192 -42.3962 -42.3962 -11.3241 -11.3241 -2.0830 -2.0830 -1.3403 -1.3403 0.1330 0.1330 0.5178 0.5178 6.0052 6.0052 8.0568 8.0568 8.9503 8.9503 10.2421 10.2421 k = 0.2155 0.2402-0.0000 ( 5745 PWs) bands (ev): -42.4198 -42.4198 -42.3957 -42.3957 -11.3316 -11.3316 -2.0380 -2.0380 -1.3282 -1.3282 0.1545 0.1545 0.5203 0.5203 5.9033 5.9033 8.0259 8.0259 8.9310 8.9310 10.3231 10.3231 k = 0.2069 0.2306-0.0000 ( 5741 PWs) bands (ev): -42.4204 -42.4204 -42.3951 -42.3951 -11.3390 -11.3390 -1.9927 -1.9927 -1.3150 -1.3150 0.1759 0.1759 0.5213 0.5213 5.8029 5.8029 7.9957 7.9957 8.9090 8.9090 10.4017 10.4017 k = 0.1983 0.2210-0.0000 ( 5739 PWs) bands (ev): -42.4209 -42.4209 -42.3946 -42.3946 -11.3463 -11.3463 -1.9472 -1.9472 -1.3010 -1.3010 0.1970 0.1970 0.5208 0.5208 5.7043 5.7043 7.9662 7.9662 8.8851 8.8851 10.4749 10.4749 k = 0.1897 0.2114-0.0000 ( 5727 PWs) bands (ev): -42.4215 -42.4215 -42.3941 -42.3941 -11.3535 -11.3535 -1.9016 -1.9016 -1.2861 -1.2861 0.2178 0.2178 0.5188 0.5188 5.6077 5.6077 7.9375 7.9375 8.8599 8.8599 10.5398 10.5398 k = 0.1810 0.2017-0.0000 ( 5727 PWs) bands (ev): -42.4221 -42.4221 -42.3935 -42.3935 -11.3605 -11.3605 -1.8562 -1.8562 -1.2704 -1.2704 0.2383 0.2383 0.5154 0.5154 5.5131 5.5131 7.9097 7.9097 8.8339 8.8339 10.5942 10.5942 k = 0.1724 0.1921-0.0000 ( 5717 PWs) bands (ev): -42.4226 -42.4226 -42.3930 -42.3930 -11.3673 -11.3673 -1.8109 -1.8109 -1.2540 -1.2540 0.2584 0.2584 0.5107 0.5107 5.4209 5.4209 7.8828 7.8828 8.8075 8.8075 10.6368 10.6368 k = 0.1638 0.1825-0.0000 ( 5729 PWs) bands (ev): -42.4231 -42.4231 -42.3926 -42.3926 -11.3739 -11.3739 -1.7661 -1.7661 -1.2371 -1.2371 0.2780 0.2780 0.5048 0.5048 5.3311 5.3311 7.8568 7.8568 8.7811 8.7811 10.6675 10.6675 k = 0.1552 0.1729-0.0000 ( 5717 PWs) bands (ev): -42.4237 -42.4237 -42.3921 -42.3921 -11.3803 -11.3803 -1.7218 -1.7218 -1.2196 -1.2196 0.2970 0.2970 0.4978 0.4978 5.2441 5.2441 7.8319 7.8319 8.7548 8.7548 10.6872 10.6872 k = 0.1466 0.1633-0.0000 ( 5717 PWs) bands (ev): -42.4242 -42.4242 -42.3916 -42.3916 -11.3865 -11.3865 -1.6783 -1.6783 -1.2018 -1.2018 0.3155 0.3155 0.4898 0.4898 5.1599 5.1599 7.8081 7.8081 8.7290 8.7290 10.6974 10.6974 k = 0.1379 0.1537-0.0000 ( 5709 PWs) bands (ev): -42.4246 -42.4246 -42.3911 -42.3911 -11.3924 -11.3924 -1.6357 -1.6357 -1.1837 -1.1837 0.3332 0.3332 0.4809 0.4809 5.0789 5.0789 7.7854 7.7854 8.7039 8.7039 10.7002 10.7002 k = 0.1293 0.1441-0.0000 ( 5709 PWs) bands (ev): -42.4251 -42.4251 -42.3907 -42.3907 -11.3981 -11.3981 -1.5942 -1.5942 -1.1655 -1.1655 0.3503 0.3503 0.4713 0.4713 5.0011 5.0011 7.7639 7.7639 8.6795 8.6795 10.6972 10.6972 k = 0.1207 0.1345-0.0000 ( 5725 PWs) bands (ev): -42.4255 -42.4255 -42.3903 -42.3903 -11.4035 -11.4035 -1.5541 -1.5541 -1.1474 -1.1474 0.3665 0.3665 0.4611 0.4611 4.9269 4.9269 7.7435 7.7435 8.6561 8.6561 10.6900 10.6900 k = 0.1121 0.1249-0.0000 ( 5729 PWs) bands (ev): -42.4260 -42.4260 -42.3899 -42.3899 -11.4085 -11.4085 -1.5155 -1.5155 -1.1294 -1.1294 0.3819 0.3819 0.4504 0.4504 4.8565 4.8565 7.7244 7.7244 8.6339 8.6339 10.6799 10.6799 k = 0.1034 0.1153-0.0000 ( 5725 PWs) bands (ev): -42.4264 -42.4264 -42.3896 -42.3896 -11.4133 -11.4133 -1.4786 -1.4786 -1.1117 -1.1117 0.3963 0.3963 0.4396 0.4396 4.7901 4.7901 7.7066 7.7066 8.6128 8.6128 10.6681 10.6681 k = 0.0948 0.1057-0.0000 ( 5723 PWs) bands (ev): -42.4267 -42.4267 -42.3892 -42.3892 -11.4177 -11.4177 -1.4436 -1.4436 -1.0945 -1.0945 0.4096 0.4096 0.4288 0.4288 4.7279 4.7279 7.6901 7.6901 8.5931 8.5931 10.6552 10.6552 k = 0.0862 0.0961-0.0000 ( 5717 PWs) bands (ev): -42.4270 -42.4270 -42.3889 -42.3889 -11.4218 -11.4218 -1.4108 -1.4108 -1.0780 -1.0780 0.4164 0.4164 0.4236 0.4236 4.6702 4.6702 7.6750 7.6750 8.5748 8.5748 10.6419 10.6419 k = 0.0776 0.0865-0.0000 ( 5725 PWs) bands (ev): -42.4274 -42.4274 -42.3886 -42.3886 -11.4255 -11.4255 -1.3803 -1.3803 -1.0624 -1.0624 0.4066 0.4066 0.4343 0.4343 4.6172 4.6172 7.6612 7.6612 8.5580 8.5580 10.6289 10.6289 k = 0.0690 0.0769-0.0000 ( 5727 PWs) bands (ev): -42.4276 -42.4276 -42.3884 -42.3884 -11.4289 -11.4289 -1.3524 -1.3524 -1.0477 -1.0477 0.3965 0.3965 0.4446 0.4446 4.5690 4.5690 7.6488 7.6488 8.5428 8.5428 10.6164 10.6164 k = 0.0603 0.0672-0.0000 ( 5727 PWs) bands (ev): -42.4279 -42.4279 -42.3882 -42.3882 -11.4319 -11.4319 -1.3273 -1.3273 -1.0343 -1.0343 0.3871 0.3871 0.4538 0.4538 4.5260 4.5260 7.6378 7.6378 8.5292 8.5292 10.6047 10.6047 k = 0.0517 0.0576-0.0000 ( 5735 PWs) bands (ev): -42.4281 -42.4281 -42.3880 -42.3880 -11.4345 -11.4345 -1.3051 -1.3051 -1.0222 -1.0222 0.3784 0.3784 0.4619 0.4619 4.4882 4.4882 7.6282 7.6282 8.5173 8.5173 10.5942 10.5942 k = 0.0431 0.0480-0.0000 ( 5737 PWs) bands (ev): -42.4283 -42.4283 -42.3878 -42.3878 -11.4367 -11.4367 -1.2860 -1.2860 -1.0117 -1.0117 0.3707 0.3707 0.4688 0.4688 4.4559 4.4559 7.6201 7.6201 8.5072 8.5072 10.5851 10.5851 k = 0.0345 0.0384-0.0000 ( 5741 PWs) bands (ev): -42.4285 -42.4285 -42.3877 -42.3877 -11.4386 -11.4386 -1.2701 -1.2701 -1.0028 -1.0028 0.3642 0.3642 0.4745 0.4745 4.4293 4.4293 7.6135 7.6135 8.4989 8.4989 10.5774 10.5774 k = 0.0259 0.0288-0.0000 ( 5731 PWs) bands (ev): -42.4286 -42.4286 -42.3875 -42.3875 -11.4400 -11.4400 -1.2577 -1.2577 -0.9958 -0.9958 0.3589 0.3589 0.4789 0.4789 4.4085 4.4085 7.6083 7.6083 8.4924 8.4924 10.5713 10.5713 k = 0.0172 0.0192-0.0000 ( 5737 PWs) bands (ev): -42.4287 -42.4287 -42.3875 -42.3875 -11.4410 -11.4410 -1.2487 -1.2487 -0.9907 -0.9907 0.3551 0.3551 0.4821 0.4821 4.3935 4.3935 7.6046 7.6046 8.4877 8.4877 10.5669 10.5669 k = 0.0086 0.0096-0.0000 ( 5733 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4416 -11.4416 -1.2433 -1.2433 -0.9876 -0.9876 0.3528 0.3528 0.4840 0.4840 4.3845 4.3845 7.6023 7.6023 8.4849 8.4849 10.5642 10.5642 k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4418 -11.4418 -1.2415 -1.2415 -0.9865 -0.9865 0.3520 0.3520 0.4846 0.4846 4.3814 4.3814 7.6016 7.6016 8.4839 8.4839 10.5633 10.5633 k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4418 -11.4418 -1.2415 -1.2415 -0.9865 -0.9865 0.3520 0.3520 0.4846 0.4846 4.3814 4.3814 7.6016 7.6016 8.4839 8.4839 10.5633 10.5633 k = 0.0076-0.0068 0.0077 ( 5733 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4416 -11.4416 -1.2612 -1.2612 -0.9664 -0.9664 0.3502 0.3502 0.4843 0.4843 4.3845 4.3845 7.6006 7.6006 8.4851 8.4851 10.5583 10.5583 k = 0.0152-0.0136 0.0154 ( 5729 PWs) bands (ev): -42.4287 -42.4287 -42.3874 -42.3874 -11.4411 -11.4411 -1.3085 -1.3085 -0.9178 -0.9178 0.3447 0.3447 0.4833 0.4833 4.3938 4.3938 7.5975 7.5975 8.4884 8.4884 10.5435 10.5435 k = 0.0228-0.0204 0.0231 ( 5727 PWs) bands (ev): -42.4286 -42.4286 -42.3875 -42.3875 -11.4402 -11.4402 -1.3680 -1.3680 -0.8564 -0.8564 0.3358 0.3358 0.4817 0.4817 4.4091 4.4091 7.5924 7.5924 8.4939 8.4939 10.5192 10.5192 k = 0.0303-0.0272 0.0308 ( 5727 PWs) bands (ev): -42.4286 -42.4286 -42.3875 -42.3875 -11.4390 -11.4390 -1.4323 -1.4323 -0.7893 -0.7893 0.3234 0.3234 0.4794 0.4794 4.4304 4.4304 7.5854 7.5854 8.5016 8.5016 10.4857 10.4857 k = 0.0379-0.0340 0.0385 ( 5723 PWs) bands (ev): -42.4285 -42.4285 -42.3876 -42.3876 -11.4374 -11.4374 -1.4986 -1.4986 -0.7194 -0.7194 0.3076 0.3076 0.4764 0.4764 4.4575 4.4575 7.5767 7.5767 8.5114 8.5114 10.4438 10.4438 k = 0.0455-0.0408 0.0462 ( 5721 PWs) bands (ev): -42.4284 -42.4284 -42.3877 -42.3877 -11.4355 -11.4355 -1.5655 -1.5655 -0.6483 -0.6483 0.2887 0.2887 0.4728 0.4728 4.4903 4.4903 7.5664 7.5664 8.5234 8.5234 10.3940 10.3940 k = 0.0531-0.0477 0.0539 ( 5717 PWs) bands (ev): -42.4283 -42.4283 -42.3878 -42.3878 -11.4332 -11.4332 -1.6323 -1.6323 -0.5765 -0.5765 0.2669 0.2669 0.4685 0.4685 4.5285 4.5285 7.5548 7.5548 8.5375 8.5375 10.3373 10.3373 k = 0.0607-0.0545 0.0616 ( 5715 PWs) bands (ev): -42.4281 -42.4281 -42.3879 -42.3879 -11.4306 -11.4306 -1.6987 -1.6987 -0.5046 -0.5046 0.2422 0.2422 0.4636 0.4636 4.5719 4.5719 7.5419 7.5419 8.5537 8.5537 10.2743 10.2743 k = 0.0683-0.0613 0.0693 ( 5719 PWs) bands (ev): -42.4280 -42.4280 -42.3880 -42.3880 -11.4277 -11.4277 -1.7643 -1.7643 -0.4330 -0.4330 0.2151 0.2151 0.4579 0.4579 4.6203 4.6203 7.5282 7.5282 8.5718 8.5718 10.2060 10.2060 k = 0.0759-0.0681 0.0770 ( 5723 PWs) bands (ev): -42.4278 -42.4278 -42.3882 -42.3882 -11.4244 -11.4244 -1.8290 -1.8290 -0.3618 -0.3618 0.1856 0.1856 0.4516 0.4516 4.6734 4.6734 7.5137 7.5137 8.5919 8.5919 10.1329 10.1329 k = 0.0834-0.0749 0.0848 ( 5717 PWs) bands (ev): -42.4276 -42.4276 -42.3883 -42.3883 -11.4209 -11.4209 -1.8925 -1.8925 -0.2913 -0.2913 0.1540 0.1540 0.4446 0.4446 4.7309 4.7309 7.4989 7.4989 8.6138 8.6138 10.0561 10.0561 k = 0.0910-0.0817 0.0925 ( 5713 PWs) bands (ev): -42.4275 -42.4275 -42.3885 -42.3885 -11.4170 -11.4170 -1.9549 -1.9549 -0.2218 -0.2218 0.1206 0.1206 0.4368 0.4368 4.7927 4.7927 7.4839 7.4839 8.6375 8.6375 9.9760 9.9760 k = 0.0986-0.0885 0.1002 ( 5709 PWs) bands (ev): -42.4272 -42.4272 -42.3887 -42.3887 -11.4129 -11.4129 -2.0159 -2.0159 -0.1534 -0.1534 0.0855 0.0855 0.4284 0.4284 4.8583 4.8583 7.4690 7.4690 8.6629 8.6629 9.8935 9.8935 k = 0.1062-0.0953 0.1079 ( 5705 PWs) bands (ev): -42.4270 -42.4270 -42.3889 -42.3889 -11.4085 -11.4085 -2.0755 -2.0755 -0.0863 -0.0863 0.0490 0.0490 0.4193 0.4193 4.9275 4.9275 7.4545 7.4545 8.6898 8.6898 9.8092 9.8092 k = 0.1138-0.1021 0.1156 ( 5705 PWs) bands (ev): -42.4268 -42.4268 -42.3891 -42.3891 -11.4038 -11.4038 -2.1337 -2.1337 -0.0208 -0.0208 0.0114 0.0114 0.4095 0.4095 5.0001 5.0001 7.4406 7.4406 8.7180 8.7180 9.7237 9.7237 k = 0.1214-0.1089 0.1233 ( 5717 PWs) bands (ev): -42.4265 -42.4265 -42.3893 -42.3893 -11.3989 -11.3989 -2.1902 -2.1902 -0.0273 -0.0273 0.0431 0.0431 0.3990 0.3990 5.0759 5.0759 7.4275 7.4275 8.7474 8.7474 9.6377 9.6377 k = 0.1290-0.1157 0.1310 ( 5715 PWs) bands (ev): -42.4263 -42.4263 -42.3895 -42.3895 -11.3937 -11.3937 -2.2452 -2.2452 -0.0667 -0.0667 0.1050 0.1050 0.3878 0.3878 5.1545 5.1545 7.4156 7.4156 8.7777 8.7777 9.5519 9.5519 k = 0.1366-0.1225 0.1387 ( 5709 PWs) bands (ev): -42.4260 -42.4260 -42.3898 -42.3898 -11.3883 -11.3883 -2.2985 -2.2985 -0.1068 -0.1068 0.1649 0.1649 0.3759 0.3759 5.2357 5.2357 7.4050 7.4050 8.8085 8.8085 9.4669 9.4669 k = 0.1441-0.1293 0.1464 ( 5711 PWs) bands (ev): -42.4257 -42.4257 -42.3900 -42.3900 -11.3827 -11.3827 -2.3500 -2.3500 -0.1473 -0.1473 0.2225 0.2225 0.3633 0.3633 5.3193 5.3193 7.3959 7.3959 8.8391 8.8391 9.3836 9.3836 k = 0.1517-0.1361 0.1541 ( 5705 PWs) bands (ev): -42.4254 -42.4254 -42.3903 -42.3903 -11.3769 -11.3769 -2.3997 -2.3997 -0.1882 -0.1882 0.2776 0.2776 0.3500 0.3500 5.4051 5.4051 7.3885 7.3885 8.8684 8.8684 9.3037 9.3037 k = 0.1593-0.1430 0.1618 ( 5705 PWs) bands (ev): -42.4251 -42.4251 -42.3906 -42.3906 -11.3710 -11.3710 -2.4476 -2.4476 -0.2292 -0.2292 0.3300 0.3300 0.3362 0.3362 5.4929 5.4929 7.3830 7.3830 8.8939 8.8939 9.2295 9.2295 k = 0.1669-0.1498 0.1695 ( 5705 PWs) bands (ev): -42.4248 -42.4248 -42.3909 -42.3909 -11.3648 -11.3648 -2.4937 -2.4937 -0.2702 -0.2702 0.3216 0.3216 0.3798 0.3798 5.5825 5.5825 7.3795 7.3795 8.9101 8.9101 9.1669 9.1669 k = 0.1745-0.1566 0.1772 ( 5697 PWs) bands (ev): -42.4244 -42.4244 -42.3911 -42.3911 -11.3586 -11.3586 -2.5378 -2.5378 -0.3111 -0.3111 0.3064 0.3064 0.4264 0.4264 5.6736 5.6736 7.3782 7.3782 8.9064 8.9064 9.1267 9.1267 k = 0.1821-0.1634 0.1849 ( 5705 PWs) bands (ev): -42.4241 -42.4241 -42.3914 -42.3914 -11.3521 -11.3521 -2.5800 -2.5800 -0.3518 -0.3518 0.2907 0.2907 0.4699 0.4699 5.7661 5.7661 7.3791 7.3791 8.8739 8.8739 9.1178 9.1178 k = 0.1897-0.1702 0.1926 ( 5699 PWs) bands (ev): -42.4237 -42.4237 -42.3917 -42.3917 -11.3456 -11.3456 -2.6202 -2.6202 -0.3922 -0.3922 0.2743 0.2743 0.5101 0.5101 5.8598 5.8598 7.3825 7.3825 8.8206 8.8206 9.1323 9.1323 k = 0.1972-0.1770 0.2003 ( 5703 PWs) bands (ev): -42.4234 -42.4234 -42.3921 -42.3921 -11.3390 -11.3390 -2.6584 -2.6584 -0.4323 -0.4323 0.2575 0.2575 0.5469 0.5469 5.9545 5.9545 7.3884 7.3884 8.7586 8.7586 9.1582 9.1582 k = 0.2048-0.1838 0.2080 ( 5695 PWs) bands (ev): -42.4230 -42.4230 -42.3924 -42.3924 -11.3323 -11.3323 -2.6946 -2.6946 -0.4718 -0.4718 0.2401 0.2401 0.5800 0.5800 6.0501 6.0501 7.3968 7.3968 8.6944 8.6944 9.1891 9.1891 k = 0.2124-0.1906 0.2157 ( 5695 PWs) bands (ev): -42.4227 -42.4227 -42.3927 -42.3927 -11.3255 -11.3255 -2.7287 -2.7287 -0.5108 -0.5108 0.2223 0.2223 0.6095 0.6095 6.1464 6.1464 7.4078 7.4078 8.6308 8.6308 9.2223 9.2223 k = 0.2200-0.1974 0.2234 ( 5697 PWs) bands (ev): -42.4223 -42.4223 -42.3930 -42.3930 -11.3187 -11.3187 -2.7608 -2.7608 -0.5491 -0.5491 0.2041 0.2041 0.6351 0.6351 6.2431 6.2431 7.4215 7.4215 8.5690 8.5690 9.2562 9.2562 k = 0.2276-0.2042 0.2311 ( 5693 PWs) bands (ev): -42.4219 -42.4219 -42.3933 -42.3933 -11.3119 -11.3119 -2.7908 -2.7908 -0.5868 -0.5868 0.1854 0.1854 0.6568 0.6568 6.3403 6.3403 7.4379 7.4379 8.5099 8.5099 9.2904 9.2904 k = 0.2352-0.2110 0.2388 ( 5693 PWs) bands (ev): -42.4216 -42.4216 -42.3937 -42.3937 -11.3051 -11.3051 -2.8187 -2.8187 -0.6237 -0.6237 0.1665 0.1665 0.6746 0.6746 6.4376 6.4376 7.4570 7.4570 8.4539 8.4539 9.3242 9.3242 k = 0.2428-0.2178 0.2466 ( 5687 PWs) bands (ev): -42.4212 -42.4212 -42.3940 -42.3940 -11.2982 -11.2982 -2.8446 -2.8446 -0.6599 -0.6599 0.1472 0.1472 0.6885 0.6885 6.5351 6.5351 7.4788 7.4788 8.4011 8.4011 9.3574 9.3574 k = 0.2503-0.2246 0.2543 ( 5689 PWs) bands (ev): -42.4208 -42.4208 -42.3943 -42.3943 -11.2914 -11.2914 -2.8685 -2.8685 -0.6952 -0.6952 0.1277 0.1277 0.6983 0.6983 6.6324 6.6324 7.5032 7.5032 8.3519 8.3519 9.3898 9.3898 k = 0.2579-0.2314 0.2620 ( 5683 PWs) bands (ev): -42.4204 -42.4204 -42.3946 -42.3946 -11.2847 -11.2847 -2.8902 -2.8902 -0.7296 -0.7296 0.1081 0.1081 0.7042 0.7042 6.7295 6.7295 7.5303 7.5303 8.3063 8.3063 9.4213 9.4213 k = 0.2655-0.2383 0.2697 ( 5689 PWs) bands (ev): -42.4201 -42.4201 -42.3950 -42.3950 -11.2779 -11.2779 -2.9100 -2.9100 -0.7631 -0.7631 0.0883 0.0883 0.7061 0.7061 6.8262 6.8262 7.5601 7.5601 8.2643 8.2643 9.4518 9.4518 k = 0.2731-0.2451 0.2774 ( 5701 PWs) bands (ev): -42.4197 -42.4197 -42.3953 -42.3953 -11.2713 -11.2713 -2.9277 -2.9277 -0.7957 -0.7957 0.0684 0.0684 0.7043 0.7043 6.9224 6.9224 7.5924 7.5924 8.2260 8.2260 9.4813 9.4813 k = 0.2807-0.2519 0.2851 ( 5709 PWs) bands (ev): -42.4193 -42.4193 -42.3957 -42.3957 -11.2648 -11.2648 -2.9434 -2.9434 -0.8273 -0.8273 0.0485 0.0485 0.6987 0.6987 7.0179 7.0179 7.6272 7.6272 8.1913 8.1913 9.5098 9.5098 k = 0.2883-0.2587 0.2928 ( 5713 PWs) bands (ev): -42.4190 -42.4190 -42.3960 -42.3960 -11.2583 -11.2583 -2.9572 -2.9572 -0.8579 -0.8579 0.0287 0.0287 0.6895 0.6895 7.1126 7.1126 7.6644 7.6644 8.1601 8.1601 9.5373 9.5373 k = 0.2959-0.2655 0.3005 ( 5713 PWs) bands (ev): -42.4186 -42.4186 -42.3963 -42.3963 -11.2520 -11.2520 -2.9691 -2.9691 -0.8876 -0.8876 0.0089 0.0089 0.6768 0.6768 7.2063 7.2063 7.7039 7.7039 8.1324 8.1324 9.5640 9.5640 k = 0.3034-0.2723 0.3082 ( 5713 PWs) bands (ev): -42.4182 -42.4182 -42.3966 -42.3966 -11.2458 -11.2458 -2.9791 -2.9791 -0.9162 -0.9162 -0.0107 -0.0107 0.6609 0.6609 7.2989 7.2989 7.7456 7.7456 8.1079 8.1079 9.5899 9.5899 k = 0.3110-0.2791 0.3159 ( 5717 PWs) bands (ev): -42.4179 -42.4179 -42.3969 -42.3969 -11.2397 -11.2397 -2.9872 -2.9872 -0.9437 -0.9437 -0.0301 -0.0301 0.6420 0.6420 7.3902 7.3902 7.7894 7.7894 8.0866 8.0866 9.6152 9.6152 k = 0.3186-0.2859 0.3236 ( 5717 PWs) bands (ev): -42.4176 -42.4176 -42.3972 -42.3972 -11.2338 -11.2338 -2.9937 -2.9937 -0.9702 -0.9702 -0.0493 -0.0493 0.6202 0.6202 7.4802 7.4802 7.8352 7.8352 8.0682 8.0682 9.6400 9.6400 k = 0.3262-0.2927 0.3313 ( 5711 PWs) bands (ev): -42.4172 -42.4172 -42.3975 -42.3975 -11.2281 -11.2281 -2.9984 -2.9984 -0.9956 -0.9956 -0.0681 -0.0681 0.5959 0.5959 7.5685 7.5685 7.8827 7.8827 8.0525 8.0525 9.6645 9.6645 k = 0.3338-0.2995 0.3390 ( 5703 PWs) bands (ev): -42.4169 -42.4169 -42.3978 -42.3978 -11.2226 -11.2226 -3.0016 -3.0016 -1.0200 -1.0200 -0.0865 -0.0865 0.5693 0.5693 7.6552 7.6552 7.9319 7.9319 8.0394 8.0394 9.6888 9.6888 k = 0.3414-0.3063 0.3467 ( 5699 PWs) bands (ev): -42.4166 -42.4166 -42.3981 -42.3981 -11.2172 -11.2172 -3.0032 -3.0032 -1.0433 -1.0433 -0.1046 -0.1046 0.5407 0.5407 7.7399 7.7399 7.9826 7.9826 8.0287 8.0287 9.7130 9.7130 k = 0.3490-0.3131 0.3544 ( 5683 PWs) bands (ev): -42.4162 -42.4162 -42.3984 -42.3984 -11.2120 -11.2120 -3.0034 -3.0034 -1.0655 -1.0655 -0.1221 -0.1221 0.5103 0.5103 7.8226 7.8226 8.0199 8.0199 8.0346 8.0346 9.7373 9.7373 k = 0.3565-0.3199 0.3621 ( 5685 PWs) bands (ev): -42.4159 -42.4159 -42.3986 -42.3986 -11.2071 -11.2071 -3.0022 -3.0022 -1.0866 -1.0866 -0.1391 -0.1391 0.4786 0.4786 7.9031 7.9031 8.0131 8.0131 8.0874 8.0874 9.7618 9.7618 k = 0.3641-0.3267 0.3698 ( 5689 PWs) bands (ev): -42.4157 -42.4157 -42.3989 -42.3989 -11.2023 -11.2023 -2.9998 -2.9998 -1.1066 -1.1066 -0.1556 -0.1556 0.4458 0.4458 7.9811 7.9811 8.0079 8.0079 8.1411 8.1411 9.7865 9.7865 k = 0.3717-0.3336 0.3775 ( 5681 PWs) bands (ev): -42.4154 -42.4154 -42.3991 -42.3991 -11.1978 -11.1978 -2.9964 -2.9964 -1.1255 -1.1255 -0.1714 -0.1714 0.4122 0.4122 8.0041 8.0041 8.0567 8.0567 8.1953 8.1953 9.8115 9.8115 k = 0.3793-0.3404 0.3852 ( 5680 PWs) bands (ev): -42.4151 -42.4151 -42.3994 -42.3994 -11.1935 -11.1935 -2.9919 -2.9919 -1.1434 -1.1434 -0.1866 -0.1866 0.3782 0.3782 8.0015 8.0015 8.1295 8.1295 8.2497 8.2497 9.8368 9.8368 k = 0.3869-0.3472 0.3929 ( 5684 PWs) bands (ev): -42.4149 -42.4149 -42.3996 -42.3996 -11.1894 -11.1894 -2.9867 -2.9867 -1.1601 -1.1601 -0.2010 -0.2010 0.3441 0.3441 8.0000 8.0000 8.1993 8.1993 8.3040 8.3040 9.8623 9.8623 k = 0.3945-0.3540 0.4006 ( 5684 PWs) bands (ev): -42.4146 -42.4146 -42.3998 -42.3998 -11.1856 -11.1856 -2.9807 -2.9807 -1.1757 -1.1757 -0.2147 -0.2147 0.3102 0.3102 7.9993 7.9993 8.2659 8.2659 8.3579 8.3579 9.8880 9.8880 k = 0.4021-0.3608 0.4084 ( 5682 PWs) bands (ev): -42.4144 -42.4144 -42.4000 -42.4000 -11.1821 -11.1821 -2.9742 -2.9742 -1.1903 -1.1903 -0.2276 -0.2276 0.2770 0.2770 7.9993 7.9993 8.3292 8.3292 8.4109 8.4109 9.9138 9.9138 k = 0.4097-0.3676 0.4161 ( 5678 PWs) bands (ev): -42.4142 -42.4142 -42.4002 -42.4002 -11.1787 -11.1787 -2.9673 -2.9673 -1.2037 -1.2037 -0.2397 -0.2397 0.2446 0.2446 7.9998 7.9998 8.3889 8.3889 8.4627 8.4627 9.9394 9.9394 k = 0.4172-0.3744 0.4238 ( 5682 PWs) bands (ev): -42.4140 -42.4140 -42.4004 -42.4004 -11.1757 -11.1757 -2.9601 -2.9601 -1.2161 -1.2161 -0.2510 -0.2510 0.2134 0.2134 8.0007 8.0007 8.4449 8.4449 8.5129 8.5129 9.9647 9.9647 k = 0.4248-0.3812 0.4315 ( 5686 PWs) bands (ev): -42.4138 -42.4138 -42.4005 -42.4005 -11.1729 -11.1729 -2.9529 -2.9529 -1.2273 -1.2273 -0.2614 -0.2614 0.1837 0.1837 8.0018 8.0018 8.4969 8.4969 8.5610 8.5610 9.9895 9.9895 k = 0.4324-0.3880 0.4392 ( 5694 PWs) bands (ev): -42.4137 -42.4137 -42.4007 -42.4007 -11.1703 -11.1703 -2.9458 -2.9458 -1.2375 -1.2375 -0.2708 -0.2708 0.1559 0.1559 8.0031 8.0031 8.5447 8.5447 8.6065 8.6065 10.0133 10.0133 k = 0.4400-0.3948 0.4469 ( 5694 PWs) bands (ev): -42.4135 -42.4135 -42.4008 -42.4008 -11.1681 -11.1681 -2.9389 -2.9389 -1.2466 -1.2466 -0.2793 -0.2793 0.1302 0.1302 8.0045 8.0045 8.5881 8.5881 8.6490 8.6490 10.0360 10.0360 k = 0.4476-0.4016 0.4546 ( 5690 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1660 -11.1660 -2.9324 -2.9324 -1.2546 -1.2546 -0.2869 -0.2869 0.1068 0.1068 8.0059 8.0059 8.6269 8.6269 8.6879 8.6879 10.0572 10.0572 k = 0.4476-0.4016 0.4546 ( 5690 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1660 -11.1660 -2.9324 -2.9324 -1.2546 -1.2546 -0.2869 -0.2869 0.1068 0.1068 8.0059 8.0059 8.6269 8.6269 8.6879 8.6879 10.0572 10.0572 k = 0.4489-0.3899 0.4494 ( 5694 PWs) bands (ev): -42.4135 -42.4135 -42.4008 -42.4008 -11.1675 -11.1675 -2.9363 -2.9363 -1.2495 -1.2495 -0.2817 -0.2817 0.1227 0.1227 8.0058 8.0058 8.5988 8.5988 8.6616 8.6616 10.0434 10.0434 k = 0.4503-0.3782 0.4443 ( 5692 PWs) bands (ev): -42.4136 -42.4136 -42.4008 -42.4008 -11.1692 -11.1692 -2.9397 -2.9397 -1.2442 -1.2442 -0.2754 -0.2754 0.1409 0.1409 8.0073 8.0073 8.5635 8.5635 8.6324 8.6324 10.0294 10.0294 k = 0.4516-0.3666 0.4391 ( 5692 PWs) bands (ev): -42.4136 -42.4136 -42.4007 -42.4007 -11.1713 -11.1713 -2.9426 -2.9426 -1.2383 -1.2383 -0.2683 -0.2683 0.1610 0.1610 8.0102 8.0102 8.5216 8.5216 8.6004 8.6004 10.0157 10.0157 k = 0.4530-0.3549 0.4340 ( 5688 PWs) bands (ev): -42.4137 -42.4137 -42.4007 -42.4007 -11.1736 -11.1736 -2.9453 -2.9453 -1.2317 -1.2317 -0.2602 -0.2602 0.1827 0.1827 8.0141 8.0141 8.4740 8.4740 8.5656 8.5656 10.0029 10.0029 k = 0.4543-0.3432 0.4289 ( 5684 PWs) bands (ev): -42.4138 -42.4138 -42.4006 -42.4006 -11.1763 -11.1763 -2.9476 -2.9476 -1.2241 -1.2241 -0.2512 -0.2512 0.2059 0.2059 8.0183 8.0183 8.4221 8.4221 8.5283 8.5283 9.9910 9.9910 k = 0.4556-0.3315 0.4237 ( 5687 PWs) bands (ev): -42.4138 -42.4138 -42.4006 -42.4006 -11.1792 -11.1792 -2.9498 -2.9498 -1.2154 -1.2154 -0.2413 -0.2413 0.2303 0.2303 8.0216 8.0216 8.3678 8.3678 8.4885 8.4885 9.9804 9.9804 k = 0.4570-0.3198 0.4186 ( 5693 PWs) bands (ev): -42.4139 -42.4139 -42.4005 -42.4005 -11.1824 -11.1824 -2.9518 -2.9518 -1.2052 -1.2052 -0.2306 -0.2306 0.2555 0.2555 8.0216 8.0216 8.3140 8.3140 8.4465 8.4465 9.9710 9.9710 k = 0.4583-0.3081 0.4134 ( 5693 PWs) bands (ev): -42.4139 -42.4139 -42.4005 -42.4005 -11.1858 -11.1858 -2.9539 -2.9539 -1.1934 -1.1934 -0.2191 -0.2191 0.2812 0.2812 8.0140 8.0140 8.2661 8.2661 8.4024 8.4024 9.9628 9.9628 k = 0.4597-0.2964 0.4083 ( 5697 PWs) bands (ev): -42.4140 -42.4140 -42.4005 -42.4005 -11.1894 -11.1894 -2.9560 -2.9560 -1.1798 -1.1798 -0.2069 -0.2069 0.3073 0.3073 7.9920 7.9920 8.2314 8.2314 8.3564 8.3564 9.9557 9.9557 k = 0.4610-0.2847 0.4031 ( 5707 PWs) bands (ev): -42.4140 -42.4140 -42.4005 -42.4005 -11.1932 -11.1932 -2.9583 -2.9583 -1.1643 -1.1643 -0.1940 -0.1940 0.3333 0.3333 7.9512 7.9512 8.2151 8.2151 8.3087 8.3087 9.9495 9.9495 k = 0.4624-0.2730 0.3980 ( 5709 PWs) bands (ev): -42.4141 -42.4141 -42.4005 -42.4005 -11.1972 -11.1972 -2.9607 -2.9607 -1.1466 -1.1466 -0.1804 -0.1804 0.3590 0.3590 7.8942 7.8942 8.2152 8.2152 8.2595 8.2595 9.9442 9.9442 k = 0.4637-0.2614 0.3928 ( 5703 PWs) bands (ev): -42.4141 -42.4141 -42.4005 -42.4005 -11.2013 -11.2013 -2.9634 -2.9634 -1.1267 -1.1267 -0.1663 -0.1663 0.3842 0.3842 7.8269 7.8269 8.2087 8.2087 8.2267 8.2267 9.9394 9.9394 k = 0.4651-0.2497 0.3877 ( 5701 PWs) bands (ev): -42.4141 -42.4141 -42.4005 -42.4005 -11.2055 -11.2055 -2.9664 -2.9664 -1.1046 -1.1046 -0.1516 -0.1516 0.4085 0.4085 7.7539 7.7539 8.1572 8.1572 8.2449 8.2449 9.9351 9.9351 k = 0.4664-0.2380 0.3825 ( 5701 PWs) bands (ev): -42.4142 -42.4142 -42.4005 -42.4005 -11.2099 -11.2099 -2.9697 -2.9697 -1.0801 -1.0801 -0.1365 -0.1365 0.4318 0.4318 7.6779 7.6779 8.1048 8.1048 8.2683 8.2683 9.9310 9.9310 k = 0.4677-0.2263 0.3774 ( 5703 PWs) bands (ev): -42.4142 -42.4142 -42.4005 -42.4005 -11.2143 -11.2143 -2.9734 -2.9734 -1.0533 -1.0533 -0.1210 -0.1210 0.4538 0.4538 7.6005 7.6005 8.0517 8.0517 8.2954 8.2954 9.9270 9.9270 k = 0.4691-0.2146 0.3723 ( 5709 PWs) bands (ev): -42.4142 -42.4142 -42.4005 -42.4005 -11.2187 -11.2187 -2.9773 -2.9773 -1.0241 -1.0241 -0.1052 -0.1052 0.4741 0.4741 7.5228 7.5228 7.9983 7.9983 8.3256 8.3256 9.9229 9.9229 k = 0.4704-0.2029 0.3671 ( 5708 PWs) bands (ev): -42.4142 -42.4142 -42.4005 -42.4005 -11.2232 -11.2232 -2.9816 -2.9816 -0.9926 -0.9926 -0.0892 -0.0892 0.4928 0.4928 7.4456 7.4456 7.9447 7.9447 8.3585 8.3585 9.9185 9.9185 k = 0.4718-0.1912 0.3620 ( 5710 PWs) bands (ev): -42.4142 -42.4142 -42.4005 -42.4005 -11.2277 -11.2277 -2.9862 -2.9862 -0.9589 -0.9589 -0.0730 -0.0730 0.5094 0.5094 7.3694 7.3694 7.8913 7.8913 8.3939 8.3939 9.9136 9.9136 k = 0.4731-0.1795 0.3568 ( 5714 PWs) bands (ev): -42.4142 -42.4142 -42.4006 -42.4006 -11.2322 -11.2322 -2.9910 -2.9910 -0.9231 -0.9231 -0.0567 -0.0567 0.5239 0.5239 7.2948 7.2948 7.8382 7.8382 8.4315 8.4315 9.9081 9.9081 k = 0.4745-0.1678 0.3517 ( 5710 PWs) bands (ev): -42.4142 -42.4142 -42.4006 -42.4006 -11.2366 -11.2366 -2.9960 -2.9960 -0.8852 -0.8852 -0.0405 -0.0405 0.5360 0.5360 7.2221 7.2221 7.7858 7.7858 8.4713 8.4713 9.9017 9.9017 k = 0.4758-0.1561 0.3465 ( 5712 PWs) bands (ev): -42.4142 -42.4142 -42.4006 -42.4006 -11.2409 -11.2409 -3.0013 -3.0013 -0.8455 -0.8455 -0.0243 -0.0243 0.5457 0.5457 7.1517 7.1517 7.7343 7.7343 8.5130 8.5130 9.8944 9.8944 k = 0.4772-0.1445 0.3414 ( 5715 PWs) bands (ev): -42.4142 -42.4142 -42.4006 -42.4006 -11.2452 -11.2452 -3.0066 -3.0066 -0.8040 -0.8040 -0.0084 -0.0084 0.5528 0.5528 7.0839 7.0839 7.6839 7.6839 8.5565 8.5565 9.8859 9.8859 k = 0.4785-0.1328 0.3362 ( 5720 PWs) bands (ev): -42.4142 -42.4142 -42.4007 -42.4007 -11.2493 -11.2493 -3.0120 -3.0120 -0.7610 -0.7610 0.0073 0.0073 0.5571 0.5571 7.0189 7.0189 7.6349 7.6349 8.6017 8.6017 9.8761 9.8761 k = 0.4798-0.1211 0.3311 ( 5714 PWs) bands (ev): -42.4142 -42.4142 -42.4007 -42.4007 -11.2533 -11.2533 -3.0174 -3.0174 -0.7168 -0.7168 0.0227 0.0227 0.5587 0.5587 6.9571 6.9571 7.5875 7.5875 8.6485 8.6485 9.8648 9.8648 k = 0.4812-0.1094 0.3259 ( 5709 PWs) bands (ev): -42.4142 -42.4142 -42.4008 -42.4008 -11.2571 -11.2571 -3.0228 -3.0228 -0.6714 -0.6714 0.0375 0.0375 0.5575 0.5575 6.8985 6.8985 7.5419 7.5419 8.6966 8.6966 9.8519 9.8519 k = 0.4825-0.0977 0.3208 ( 5708 PWs) bands (ev): -42.4142 -42.4142 -42.4008 -42.4008 -11.2608 -11.2608 -3.0281 -3.0281 -0.6252 -0.6252 0.0519 0.0519 0.5535 0.5535 6.8434 6.8434 7.4984 7.4984 8.7460 8.7460 9.8372 9.8372 k = 0.4839-0.0860 0.3157 ( 5704 PWs) bands (ev): -42.4142 -42.4142 -42.4008 -42.4008 -11.2643 -11.2643 -3.0332 -3.0332 -0.5785 -0.5785 0.0656 0.0656 0.5468 0.5468 6.7919 6.7919 7.4572 7.4572 8.7964 8.7964 9.8205 9.8205 k = 0.4852-0.0743 0.3105 ( 5705 PWs) bands (ev): -42.4142 -42.4142 -42.4009 -42.4009 -11.2675 -11.2675 -3.0381 -3.0381 -0.5316 -0.5316 0.0786 0.0786 0.5374 0.5374 6.7442 6.7442 7.4185 7.4185 8.8477 8.8477 9.8019 9.8019 k = 0.4866-0.0626 0.3054 ( 5705 PWs) bands (ev): -42.4142 -42.4142 -42.4009 -42.4009 -11.2706 -11.2706 -3.0428 -3.0428 -0.4848 -0.4848 0.0907 0.0907 0.5256 0.5256 6.7004 6.7004 7.3824 7.3824 8.8996 8.8996 9.7810 9.7810 k = 0.4879-0.0509 0.3002 ( 5702 PWs) bands (ev): -42.4142 -42.4142 -42.4009 -42.4009 -11.2733 -11.2733 -3.0472 -3.0472 -0.4386 -0.4386 0.1020 0.1020 0.5115 0.5115 6.6605 6.6605 7.3493 7.3493 8.9518 8.9518 9.7580 9.7580 k = 0.4892-0.0392 0.2951 ( 5695 PWs) bands (ev): -42.4141 -42.4141 -42.4009 -42.4009 -11.2759 -11.2759 -3.0512 -3.0512 -0.3935 -0.3935 0.1124 0.1124 0.4956 0.4956 6.6247 6.6247 7.3191 7.3191 9.0042 9.0042 9.7327 9.7327 k = 0.4906-0.0276 0.2899 ( 5693 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2781 -11.2781 -3.0549 -3.0549 -0.3500 -0.3500 0.1216 0.1216 0.4781 0.4781 6.5930 6.5930 7.2921 7.2921 9.0563 9.0563 9.7052 9.7052 k = 0.4919-0.0159 0.2848 ( 5696 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2801 -11.2801 -3.0581 -3.0581 -0.3089 -0.3089 0.1298 0.1298 0.4598 0.4598 6.5654 6.5654 7.2685 7.2685 9.1079 9.1079 9.6756 9.6756 k = 0.4933-0.0042 0.2796 ( 5694 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2818 -11.2818 -3.0609 -3.0609 -0.2709 -0.2709 0.1369 0.1369 0.4413 0.4413 6.5420 6.5420 7.2482 7.2482 9.1583 9.1583 9.6442 9.6442 k = 0.4946 0.0075 0.2745 ( 5690 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2832 -11.2832 -3.0632 -3.0632 -0.2372 -0.2372 0.1427 0.1427 0.4236 0.4236 6.5228 6.5228 7.2315 7.2315 9.2070 9.2070 9.6113 9.6113 k = 0.4960 0.0192 0.2693 ( 5694 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2843 -11.2843 -3.0650 -3.0650 -0.2089 -0.2089 0.1473 0.1473 0.4078 0.4078 6.5079 6.5079 7.2185 7.2185 9.2529 9.2529 9.5780 9.5780 k = 0.4973 0.0309 0.2642 ( 5693 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2851 -11.2851 -3.0663 -3.0663 -0.1872 -0.1872 0.1506 0.1506 0.3952 0.3952 6.4972 6.4972 7.2091 7.2091 9.2937 9.2937 9.5463 9.5463 k = 0.4987 0.0426 0.2591 ( 5691 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2856 -11.2856 -3.0671 -3.0671 -0.1736 -0.1736 0.1526 0.1526 0.3870 0.3870 6.4908 6.4908 7.2034 7.2034 9.3248 9.3248 9.5206 9.5206 k = 0.5000 0.0543 0.2539 ( 5704 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2857 -11.2857 -3.0674 -3.0674 -0.1689 -0.1689 0.1532 0.1532 0.3841 0.3841 6.4887 6.4887 7.2015 7.2015 9.3373 9.3373 9.5100 9.5100 k = 0.5000 0.0543 0.2539 ( 5704 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2857 -11.2857 -3.0674 -3.0674 -0.1689 -0.1689 0.1532 0.1532 0.3841 0.3841 6.4887 6.4887 7.2015 7.2015 9.3373 9.3373 9.5100 9.5100 k = 0.4943 0.0594 0.2640 ( 5698 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2855 -11.2855 -3.0667 -3.0667 -0.1695 -0.1695 0.1483 0.1483 0.3875 0.3875 6.4892 6.4892 7.1960 7.1960 9.3418 9.3418 9.5141 9.5141 k = 0.4886 0.0645 0.2741 ( 5700 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2850 -11.2850 -3.0645 -3.0645 -0.1713 -0.1713 0.1342 0.1342 0.3969 0.3969 6.4905 6.4905 7.1796 7.1796 9.3549 9.3549 9.5265 9.5265 k = 0.4830 0.0696 0.2842 ( 5702 PWs) bands (ev): -42.4141 -42.4141 -42.4011 -42.4011 -11.2841 -11.2841 -3.0610 -3.0610 -0.1743 -0.1743 0.1127 0.1127 0.4106 0.4106 6.4928 6.4928 7.1528 7.1528 9.3763 9.3763 9.5472 9.5472 k = 0.4773 0.0747 0.2943 ( 5704 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2829 -11.2829 -3.0560 -3.0560 -0.1784 -0.1784 0.0855 0.0855 0.4269 0.4269 6.4959 6.4959 7.1166 7.1166 9.4051 9.4051 9.5759 9.5759 k = 0.4716 0.0798 0.3044 ( 5710 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2813 -11.2813 -3.0496 -3.0496 -0.1837 -0.1837 0.0542 0.0542 0.4446 0.4446 6.4999 6.4999 7.0717 7.0717 9.4404 9.4404 9.6127 9.6127 k = 0.4659 0.0849 0.3145 ( 5714 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2794 -11.2794 -3.0418 -3.0418 -0.1902 -0.1902 0.0195 0.0195 0.4627 0.4627 6.5047 6.5047 7.0195 7.0195 9.4812 9.4812 9.6574 9.6574 k = 0.4602 0.0900 0.3246 ( 5712 PWs) bands (ev): -42.4141 -42.4141 -42.4010 -42.4010 -11.2771 -11.2771 -3.0327 -3.0327 -0.1979 -0.1979 -0.0180 -0.0180 0.4810 0.4810 6.5104 6.5104 6.9609 6.9609 9.5266 9.5266 9.7097 9.7097 k = 0.4545 0.0951 0.3347 ( 5706 PWs) bands (ev): -42.4140 -42.4140 -42.4010 -42.4010 -11.2746 -11.2746 -3.0221 -3.0221 -0.2068 -0.2068 -0.0577 -0.0577 0.4990 0.4990 6.5170 6.5170 6.8972 6.8972 9.5755 9.5755 9.7694 9.7694 k = 0.4489 0.1002 0.3448 ( 5706 PWs) bands (ev): -42.4140 -42.4140 -42.4010 -42.4010 -11.2717 -11.2717 -3.0102 -3.0102 -0.2169 -0.2169 -0.0993 -0.0993 0.5166 0.5166 6.5243 6.5243 6.8291 6.8291 9.6271 9.6271 9.8364 9.8364 k = 0.4432 0.1053 0.3549 ( 5706 PWs) bands (ev): -42.4140 -42.4140 -42.4010 -42.4010 -11.2686 -11.2686 -2.9970 -2.9970 -0.2281 -0.2281 -0.1426 -0.1426 0.5337 0.5337 6.5323 6.5323 6.7578 6.7578 9.6808 9.6808 9.9103 9.9103 k = 0.4375 0.1104 0.3650 ( 5710 PWs) bands (ev): -42.4140 -42.4140 -42.4009 -42.4009 -11.2651 -11.2651 -2.9825 -2.9825 -0.2406 -0.2406 -0.1872 -0.1872 0.5503 0.5503 6.5411 6.5411 6.6840 6.6840 9.7360 9.7360 9.9909 9.9909 k = 0.4318 0.1155 0.3751 ( 5708 PWs) bands (ev): -42.4140 -42.4140 -42.4009 -42.4009 -11.2614 -11.2614 -2.9667 -2.9667 -0.2543 -0.2543 -0.2330 -0.2330 0.5664 0.5664 6.5506 6.5506 6.6084 6.6084 9.7921 9.7921 10.0778 10.0778 k = 0.4261 0.1206 0.3852 ( 5708 PWs) bands (ev): -42.4139 -42.4139 -42.4009 -42.4009 -11.2575 -11.2575 -2.9496 -2.9496 -0.2805 -0.2805 -0.2684 -0.2684 0.5820 0.5820 6.5315 6.5315 6.5610 6.5610 9.8489 9.8489 10.1707 10.1707 k = 0.4205 0.1257 0.3953 ( 5708 PWs) bands (ev): -42.4139 -42.4139 -42.4009 -42.4009 -11.2533 -11.2533 -2.9314 -2.9314 -0.3280 -0.3280 -0.2846 -0.2846 0.5971 0.5971 6.4543 6.4543 6.5718 6.5718 9.9060 9.9060 10.2692 10.2692 k = 0.4148 0.1307 0.4054 ( 5704 PWs) bands (ev): -42.4139 -42.4139 -42.4008 -42.4008 -11.2490 -11.2490 -2.9119 -2.9119 -0.3762 -0.3762 -0.3017 -0.3017 0.6117 0.6117 6.3769 6.3769 6.5832 6.5832 9.9632 9.9632 10.3730 10.3730 k = 0.4091 0.1358 0.4155 ( 5714 PWs) bands (ev): -42.4138 -42.4138 -42.4008 -42.4008 -11.2444 -11.2444 -2.8913 -2.8913 -0.4249 -0.4249 -0.3199 -0.3199 0.6259 0.6259 6.2998 6.2998 6.5953 6.5953 10.0205 10.0205 10.4817 10.4817 k = 0.4034 0.1409 0.4256 ( 5716 PWs) bands (ev): -42.4138 -42.4138 -42.4008 -42.4008 -11.2397 -11.2397 -2.8696 -2.8696 -0.4738 -0.4738 -0.3391 -0.3391 0.6396 0.6396 6.2235 6.2235 6.6078 6.6078 10.0777 10.0777 10.5949 10.5949 k = 0.3977 0.1460 0.4357 ( 5714 PWs) bands (ev): -42.4138 -42.4138 -42.4008 -42.4008 -11.2348 -11.2348 -2.8469 -2.8469 -0.5227 -0.5227 -0.3595 -0.3595 0.6529 0.6529 6.1482 6.1482 6.6209 6.6209 10.1349 10.1349 10.7120 10.7120 k = 0.3920 0.1511 0.4458 ( 5708 PWs) bands (ev): -42.4137 -42.4137 -42.4007 -42.4007 -11.2298 -11.2298 -2.8232 -2.8232 -0.5715 -0.5715 -0.3808 -0.3808 0.6657 0.6657 6.0743 6.0743 6.6344 6.6344 10.1921 10.1921 10.8327 10.8327 k = 0.3864 0.1562 0.4559 ( 5706 PWs) bands (ev): -42.4137 -42.4137 -42.4007 -42.4007 -11.2248 -11.2248 -2.7985 -2.7985 -0.6199 -0.6199 -0.4032 -0.4032 0.6782 0.6782 6.0020 6.0020 6.6484 6.6484 10.2493 10.2493 10.9564 10.9564 k = 0.3807 0.1613 0.4660 ( 5714 PWs) bands (ev): -42.4137 -42.4137 -42.4007 -42.4007 -11.2196 -11.2196 -2.7730 -2.7730 -0.6677 -0.6677 -0.4265 -0.4265 0.6903 0.6903 5.9315 5.9315 6.6626 6.6626 10.3065 10.3065 11.0822 11.0822 k = 0.3750 0.1664 0.4761 ( 5710 PWs) bands (ev): -42.4137 -42.4137 -42.4006 -42.4006 -11.2145 -11.2145 -2.7467 -2.7467 -0.7149 -0.7149 -0.4506 -0.4506 0.7020 0.7020 5.8631 5.8631 6.6772 6.6772 10.3639 10.3639 11.2083 11.2083 k = 0.3693 0.1715 0.4862 ( 5712 PWs) bands (ev): -42.4136 -42.4136 -42.4006 -42.4006 -11.2093 -11.2093 -2.7197 -2.7197 -0.7612 -0.7612 -0.4756 -0.4756 0.7133 0.7133 5.7969 5.7969 6.6920 6.6920 10.4214 10.4214 11.3207 11.3207 k = 0.3636 0.1766 0.4963 ( 5714 PWs) bands (ev): -42.4136 -42.4136 -42.4006 -42.4006 -11.2041 -11.2041 -2.6921 -2.6921 -0.8064 -0.8064 -0.5013 -0.5013 0.7242 0.7242 5.7331 5.7331 6.7070 6.7070 10.4793 10.4793 11.3034 11.3034 k = 0.3580 0.1817 0.5064 ( 5716 PWs) bands (ev): -42.4136 -42.4136 -42.4005 -42.4005 -11.1989 -11.1989 -2.6640 -2.6640 -0.8505 -0.8505 -0.5277 -0.5277 0.7347 0.7347 5.6718 5.6718 6.7221 6.7221 10.5375 10.5375 11.2285 11.2285 k = 0.3523 0.1868 0.5165 ( 5714 PWs) bands (ev): -42.4135 -42.4135 -42.4005 -42.4005 -11.1939 -11.1939 -2.6354 -2.6354 -0.8932 -0.8932 -0.5546 -0.5546 0.7449 0.7449 5.6131 5.6131 6.7372 6.7372 10.5962 10.5962 11.1519 11.1519 k = 0.3466 0.1919 0.5266 ( 5712 PWs) bands (ev): -42.4135 -42.4135 -42.4005 -42.4005 -11.1889 -11.1889 -2.6066 -2.6066 -0.9344 -0.9344 -0.5819 -0.5819 0.7545 0.7545 5.5572 5.5572 6.7523 6.7523 10.6553 10.6553 11.0773 11.0773 k = 0.3409 0.1970 0.5367 ( 5712 PWs) bands (ev): -42.4135 -42.4135 -42.4005 -42.4005 -11.1840 -11.1840 -2.5776 -2.5776 -0.9740 -0.9740 -0.6095 -0.6095 0.7638 0.7638 5.5042 5.5042 6.7673 6.7673 10.7150 10.7150 11.0054 11.0054 k = 0.3352 0.2021 0.5468 ( 5710 PWs) bands (ev): -42.4134 -42.4134 -42.4004 -42.4004 -11.1793 -11.1793 -2.5486 -2.5486 -1.0118 -1.0118 -0.6373 -0.6373 0.7726 0.7726 5.4541 5.4541 6.7820 6.7820 10.7753 10.7753 10.9366 10.9366 k = 0.3295 0.2072 0.5569 ( 5712 PWs) bands (ev): -42.4134 -42.4134 -42.4004 -42.4004 -11.1747 -11.1747 -2.5197 -2.5197 -1.0478 -1.0478 -0.6650 -0.6650 0.7810 0.7810 5.4070 5.4070 6.7965 6.7965 10.8362 10.8362 10.8711 10.8711 k = 0.3239 0.2123 0.5670 ( 5706 PWs) bands (ev): -42.4134 -42.4134 -42.4004 -42.4004 -11.1704 -11.1704 -2.4912 -2.4912 -1.0818 -1.0818 -0.6926 -0.6926 0.7889 0.7889 5.3629 5.3629 6.8105 6.8105 10.8092 10.8092 10.8978 10.8978 k = 0.3182 0.2174 0.5771 ( 5708 PWs) bands (ev): -42.4134 -42.4134 -42.4003 -42.4003 -11.1662 -11.1662 -2.4633 -2.4633 -1.1137 -1.1137 -0.7197 -0.7197 0.7963 0.7963 5.3220 5.3220 6.8241 6.8241 10.7510 10.7510 10.9599 10.9599 k = 0.3125 0.2225 0.5872 ( 5706 PWs) bands (ev): -42.4133 -42.4133 -42.4003 -42.4003 -11.1623 -11.1623 -2.4361 -2.4361 -1.1434 -1.1434 -0.7462 -0.7462 0.8031 0.8031 5.2842 5.2842 6.8371 6.8371 10.6968 10.6968 11.0226 11.0226 k = 0.3068 0.2276 0.5973 ( 5706 PWs) bands (ev): -42.4133 -42.4133 -42.4003 -42.4003 -11.1587 -11.1587 -2.4098 -2.4098 -1.1708 -1.1708 -0.7718 -0.7718 0.8095 0.8095 5.2496 5.2496 6.8493 6.8493 10.6466 10.6466 11.0857 11.0857 k = 0.3011 0.2327 0.6074 ( 5706 PWs) bands (ev): -42.4133 -42.4133 -42.4003 -42.4003 -11.1553 -11.1553 -2.3848 -2.3848 -1.1959 -1.1959 -0.7963 -0.7963 0.8153 0.8153 5.2182 5.2182 6.8608 6.8608 10.6007 10.6007 11.1491 11.1491 k = 0.2955 0.2378 0.6175 ( 5708 PWs) bands (ev): -42.4133 -42.4133 -42.4003 -42.4003 -11.1522 -11.1522 -2.3614 -2.3614 -1.2185 -1.2185 -0.8193 -0.8193 0.8205 0.8205 5.1901 5.1901 6.8714 6.8714 10.5591 10.5591 11.2125 11.2125 k = 0.2898 0.2429 0.6276 ( 5712 PWs) bands (ev): -42.4133 -42.4133 -42.4003 -42.4003 -11.1495 -11.1495 -2.3397 -2.3397 -1.2386 -1.2386 -0.8406 -0.8406 0.8252 0.8252 5.1653 5.1653 6.8810 6.8810 10.5221 10.5221 11.2757 11.2757 k = 0.2841 0.2480 0.6377 ( 5714 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1471 -11.1471 -2.3201 -2.3201 -1.2562 -1.2562 -0.8599 -0.8599 0.8292 0.8292 5.1437 5.1437 6.8896 6.8896 10.4897 10.4897 11.3378 11.3378 k = 0.2784 0.2531 0.6478 ( 5718 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1450 -11.1450 -2.3029 -2.3029 -1.2711 -1.2711 -0.8769 -0.8769 0.8327 0.8327 5.1254 5.1254 6.8970 6.8970 10.4621 10.4621 11.3982 11.3982 k = 0.2727 0.2582 0.6579 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1433 -11.1433 -2.2884 -2.2884 -1.2834 -1.2834 -0.8913 -0.8913 0.8355 0.8355 5.1105 5.1105 6.9031 6.9031 10.4394 10.4394 11.4554 11.4554 k = 0.2670 0.2633 0.6680 ( 5720 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1420 -11.1420 -2.2768 -2.2768 -1.2930 -1.2930 -0.9028 -0.9028 0.8378 0.8378 5.0988 5.0988 6.9080 6.9080 10.4216 10.4216 11.5072 11.5072 k = 0.2614 0.2684 0.6781 ( 5718 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1410 -11.1410 -2.2683 -2.2683 -1.2998 -1.2998 -0.9111 -0.9111 0.8394 0.8394 5.0905 5.0905 6.9115 6.9115 10.4089 10.4089 11.5500 11.5500 k = 0.2557 0.2735 0.6882 ( 5718 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1404 -11.1404 -2.2631 -2.2631 -1.3040 -1.3040 -0.9162 -0.9162 0.8403 0.8403 5.0855 5.0855 6.9136 6.9136 10.4012 10.4012 11.5791 11.5791 k = 0.2500 0.2786 0.6983 ( 5716 PWs) bands (ev): -42.4132 -42.4132 -42.4002 -42.4002 -11.1402 -11.1402 -2.2614 -2.2614 -1.3053 -1.3053 -0.9180 -0.9180 0.8406 0.8406 5.0839 5.0839 6.9143 6.9143 10.3986 10.3986 11.5896 11.5896 k = 0.3105-0.2786 0.6983 ( 5679 PWs) bands (ev): -42.4154 -42.4154 -42.3981 -42.3981 -11.1262 -11.1262 -2.5255 -2.5255 -1.1035 -1.1035 -1.0330 -1.0330 0.2751 0.2751 6.7256 6.7256 7.8221 7.8221 8.3133 8.3133 11.6548 11.6548 k = 0.3162-0.2837 0.6881 ( 5683 PWs) bands (ev): -42.4153 -42.4153 -42.3983 -42.3983 -11.1279 -11.1279 -2.5561 -2.5561 -1.0638 -1.0638 -1.0504 -1.0504 0.2714 0.2714 6.8061 6.8061 7.8848 7.8848 8.3403 8.3403 11.5192 11.5192 k = 0.3219-0.2889 0.6780 ( 5676 PWs) bands (ev): -42.4151 -42.4151 -42.3985 -42.3985 -11.1298 -11.1298 -2.5858 -2.5858 -1.0678 -1.0678 -1.0223 -1.0223 0.2671 0.2671 6.8878 6.8878 7.9454 7.9454 8.3664 8.3664 11.3877 11.3877 k = 0.3276-0.2940 0.6678 ( 5671 PWs) bands (ev): -42.4150 -42.4150 -42.3987 -42.3987 -11.1318 -11.1318 -2.6146 -2.6146 -1.0841 -1.0841 -0.9803 -0.9803 0.2624 0.2624 6.9706 6.9706 8.0039 8.0039 8.3911 8.3911 11.2609 11.2609 k = 0.3333-0.2991 0.6576 ( 5674 PWs) bands (ev): -42.4148 -42.4148 -42.3989 -42.3989 -11.1340 -11.1340 -2.6424 -2.6424 -1.0996 -1.0996 -0.9374 -0.9374 0.2571 0.2571 7.0539 7.0539 8.0601 8.0601 8.4141 8.4141 11.1396 11.1396 k = 0.3390-0.3042 0.6475 ( 5672 PWs) bands (ev): -42.4147 -42.4147 -42.3991 -42.3991 -11.1362 -11.1362 -2.6692 -2.6692 -1.1145 -1.1145 -0.8940 -0.8940 0.2513 0.2513 7.1376 7.1376 8.1141 8.1141 8.4352 8.4352 11.0241 11.0241 k = 0.3448-0.3094 0.6373 ( 5676 PWs) bands (ev): -42.4145 -42.4145 -42.3993 -42.3993 -11.1385 -11.1385 -2.6950 -2.6950 -1.1287 -1.1287 -0.8501 -0.8501 0.2450 0.2450 7.2212 7.2212 8.1656 8.1656 8.4540 8.4540 10.9151 10.9151 k = 0.3505-0.3145 0.6272 ( 5680 PWs) bands (ev): -42.4144 -42.4144 -42.3995 -42.3995 -11.1408 -11.1408 -2.7196 -2.7196 -1.1422 -1.1422 -0.8061 -0.8061 0.2383 0.2383 7.3042 7.3042 8.2147 8.2147 8.4705 8.4705 10.8128 10.8128 k = 0.3562-0.3196 0.6170 ( 5680 PWs) bands (ev): -42.4143 -42.4143 -42.3996 -42.3996 -11.1431 -11.1431 -2.7430 -2.7430 -1.1549 -1.1549 -0.7621 -0.7621 0.2311 0.2311 7.3861 7.3861 8.2611 8.2611 8.4845 8.4845 10.7177 10.7177 k = 0.3619-0.3247 0.6069 ( 5678 PWs) bands (ev): -42.4142 -42.4142 -42.3998 -42.3998 -11.1454 -11.1454 -2.7653 -2.7653 -1.1668 -1.1668 -0.7184 -0.7184 0.2234 0.2234 7.4662 7.4662 8.3050 8.3050 8.4962 8.4962 10.6300 10.6300 k = 0.3676-0.3299 0.5967 ( 5680 PWs) bands (ev): -42.4141 -42.4141 -42.3999 -42.3999 -11.1477 -11.1477 -2.7862 -2.7862 -1.1781 -1.1781 -0.6752 -0.6752 0.2154 0.2154 7.5438 7.5438 8.3462 8.3462 8.5058 8.5058 10.5498 10.5498 k = 0.3733-0.3350 0.5866 ( 5686 PWs) bands (ev): -42.4140 -42.4140 -42.4000 -42.4000 -11.1499 -11.1499 -2.8059 -2.8059 -1.1885 -1.1885 -0.6327 -0.6327 0.2069 0.2069 7.6181 7.6181 8.3847 8.3847 8.5139 8.5139 10.4769 10.4769 k = 0.3790-0.3401 0.5764 ( 5686 PWs) bands (ev): -42.4139 -42.4139 -42.4002 -42.4002 -11.1520 -11.1520 -2.8243 -2.8243 -1.1983 -1.1983 -0.5912 -0.5912 0.1981 0.1981 7.6880 7.6880 8.4204 8.4204 8.5213 8.5213 10.4112 10.4112 k = 0.3847-0.3452 0.5663 ( 5682 PWs) bands (ev): -42.4138 -42.4138 -42.4003 -42.4003 -11.1541 -11.1541 -2.8413 -2.8413 -1.2072 -1.2072 -0.5509 -0.5509 0.1889 0.1889 7.7524 7.7524 8.4533 8.4533 8.5289 8.5289 10.3524 10.3524 k = 0.3905-0.3504 0.5561 ( 5684 PWs) bands (ev): -42.4138 -42.4138 -42.4004 -42.4004 -11.1560 -11.1560 -2.8569 -2.8569 -1.2154 -1.2154 -0.5121 -0.5121 0.1795 0.1795 7.8103 7.8103 8.4833 8.4833 8.5377 8.5377 10.3001 10.3001 k = 0.3962-0.3555 0.5460 ( 5692 PWs) bands (ev): -42.4137 -42.4137 -42.4005 -42.4005 -11.1578 -11.1578 -2.8711 -2.8711 -1.2228 -1.2228 -0.4752 -0.4752 0.1698 0.1698 7.8605 7.8605 8.5105 8.5105 8.5489 8.5489 10.2537 10.2537 k = 0.4019-0.3606 0.5358 ( 5694 PWs) bands (ev): -42.4136 -42.4136 -42.4006 -42.4006 -11.1595 -11.1595 -2.8838 -2.8838 -1.2295 -1.2295 -0.4404 -0.4404 0.1601 0.1601 7.9024 7.9024 8.5348 8.5348 8.5631 8.5631 10.2128 10.2128 k = 0.4076-0.3657 0.5257 ( 5694 PWs) bands (ev): -42.4136 -42.4136 -42.4007 -42.4007 -11.1610 -11.1610 -2.8952 -2.8952 -1.2353 -1.2353 -0.4080 -0.4080 0.1504 0.1504 7.9357 7.9357 8.5563 8.5563 8.5804 8.5804 10.1770 10.1770 k = 0.4133-0.3709 0.5155 ( 5688 PWs) bands (ev): -42.4135 -42.4135 -42.4007 -42.4007 -11.1623 -11.1623 -2.9050 -2.9050 -1.2404 -1.2404 -0.3785 -0.3785 0.1409 0.1409 7.9608 7.9608 8.5750 8.5750 8.6002 8.6002 10.1460 10.1460 k = 0.4190-0.3760 0.5053 ( 5682 PWs) bands (ev): -42.4135 -42.4135 -42.4008 -42.4008 -11.1634 -11.1634 -2.9133 -2.9133 -1.2448 -1.2448 -0.3523 -0.3523 0.1319 0.1319 7.9787 7.9787 8.5908 8.5908 8.6213 8.6213 10.1195 10.1195 k = 0.4247-0.3811 0.4952 ( 5683 PWs) bands (ev): -42.4135 -42.4135 -42.4008 -42.4008 -11.1643 -11.1643 -2.9202 -2.9202 -1.2483 -1.2483 -0.3298 -0.3298 0.1238 0.1238 7.9907 7.9907 8.6038 8.6038 8.6421 8.6421 10.0975 10.0975 k = 0.4304-0.3862 0.4850 ( 5685 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1651 -11.1651 -2.9255 -2.9255 -1.2510 -1.2510 -0.3115 -0.3115 0.1168 0.1168 7.9984 7.9984 8.6139 8.6139 8.6606 8.6606 10.0801 10.0801 k = 0.4362-0.3914 0.4749 ( 5686 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1656 -11.1656 -2.9293 -2.9293 -1.2530 -1.2530 -0.2980 -0.2980 0.1114 0.1114 8.0029 8.0029 8.6211 8.6211 8.6753 8.6753 10.0675 10.0675 k = 0.4419-0.3965 0.4647 ( 5690 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1659 -11.1659 -2.9316 -2.9316 -1.2542 -1.2542 -0.2897 -0.2897 0.1080 0.1080 8.0052 8.0052 8.6254 8.6254 8.6846 8.6846 10.0598 10.0598 k = 0.4476-0.4016 0.4546 ( 5690 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1660 -11.1660 -2.9324 -2.9324 -1.2546 -1.2546 -0.2869 -0.2869 0.1068 0.1068 8.0059 8.0059 8.6269 8.6269 8.6879 8.6879 10.0572 10.0572 k = 0.5524 0.5102 0.0532 ( 5690 PWs) bands (ev): -42.4134 -42.4134 -42.4009 -42.4009 -11.1660 -11.1660 -2.9324 -2.9324 -1.2546 -1.2546 -0.2869 -0.2869 0.1068 0.1068 8.0059 8.0059 8.6269 8.6269 8.6879 8.6879 10.0572 10.0572 k = 0.5449 0.5169 0.0456 ( 5698 PWs) bands (ev): -42.4133 -42.4133 -42.4010 -42.4010 -11.1643 -11.1643 -2.9265 -2.9265 -1.2614 -1.2614 -0.2934 -0.2934 0.0863 0.0863 8.0071 8.0071 8.6605 8.6605 8.7223 8.7223 10.0762 10.0762 k = 0.5374 0.5236 0.0380 ( 5692 PWs) bands (ev): -42.4132 -42.4132 -42.4011 -42.4011 -11.1629 -11.1629 -2.9213 -2.9213 -1.2672 -1.2672 -0.2989 -0.2989 0.0686 0.0686 8.0083 8.0083 8.6893 8.6893 8.7524 8.7524 10.0930 10.0930 k = 0.5300 0.5303 0.0304 ( 5694 PWs) bands (ev): -42.4131 -42.4131 -42.4012 -42.4012 -11.1617 -11.1617 -2.9169 -2.9169 -1.2719 -1.2719 -0.3034 -0.3034 0.0539 0.0539 8.0093 8.0093 8.7130 8.7130 8.7776 8.7776 10.1073 10.1073 k = 0.5225 0.5371 0.0228 ( 5690 PWs) bands (ev): -42.4131 -42.4131 -42.4012 -42.4012 -11.1607 -11.1607 -2.9133 -2.9133 -1.2756 -1.2756 -0.3070 -0.3070 0.0422 0.0422 8.0101 8.0101 8.7316 8.7316 8.7977 8.7977 10.1188 10.1188 k = 0.5150 0.5438 0.0152 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4012 -42.4012 -11.1601 -11.1601 -2.9107 -2.9107 -1.2782 -1.2782 -0.3095 -0.3095 0.0338 0.0338 8.0107 8.0107 8.7450 8.7450 8.8123 8.8123 10.1272 10.1272 k = 0.5075 0.5505 0.0076 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1597 -11.1597 -2.9091 -2.9091 -1.2798 -1.2798 -0.3110 -0.3110 0.0287 0.0287 8.0110 8.0110 8.7531 8.7531 8.8211 8.8211 10.1324 10.1324 k = 0.5000 0.5572-0.0000 ( 5686 PWs) bands (ev): -42.4130 -42.4130 -42.4013 -42.4013 -11.1595 -11.1595 -2.9086 -2.9086 -1.2803 -1.2803 -0.3115 -0.3115 0.0270 0.0270 8.0111 8.0111 8.7558 8.7558 8.8241 8.8241 10.1341 10.1341 Writing output data file LiC.save init_run : 0.10s CPU 0.53s WALL ( 1 calls) electrons : 85.78s CPU 88.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 85.78s CPU 88.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 468 calls) cegterg : 73.40s CPU 74.23s WALL ( 512 calls) Called by sum_band: Called by *egterg: h_psi : 60.94s CPU 61.75s WALL ( 7622 calls) s_psi : 0.80s CPU 0.84s WALL ( 7622 calls) g_psi : 0.15s CPU 0.16s WALL ( 6642 calls) cdiaghg : 16.52s CPU 16.63s WALL ( 7110 calls) cegterg:over : 1.94s CPU 1.91s WALL ( 6642 calls) cegterg:upda : 1.65s CPU 1.77s WALL ( 6642 calls) cegterg:last : 1.14s CPU 1.12s WALL ( 1442 calls) cdiaghg:chol : 0.89s CPU 0.95s WALL ( 7110 calls) cdiaghg:inve : 0.20s CPU 0.19s WALL ( 7110 calls) cdiaghg:para : 1.29s CPU 1.18s WALL ( 14220 calls) Called by h_psi: h_psi:vloc : 58.50s CPU 59.34s WALL ( 7622 calls) h_psi:vnl : 2.34s CPU 2.33s WALL ( 7622 calls) add_vuspsi : 1.05s CPU 1.00s WALL ( 7622 calls) General routines calbec : 1.26s CPU 1.30s WALL ( 7622 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 55.96s CPU 56.68s WALL ( 409312 calls) davcio : 0.17s CPU 0.34s WALL ( 936 calls) Parallel routines fft_scatter : 19.44s CPU 19.81s WALL ( 409327 calls) PWSCF : 1m38.72s CPU 2m22.97s WALL This run was terminated on: 17: 8: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=