Program PWSCF v.5.1.1 starts on 23Oct2015 at 0:24:45 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Al2ZnSe4.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 46 13 1851 966 147 Max 71 47 14 1854 986 148 Sum 3381 2227 627 88887 46885 7091 bravais-lattice index = 14 lattice parameter (alat) = 12.7835 a.u. unit-cell volume = 1148.4271 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.783521 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.662234 celldm(5)= -0.662234 celldm(6)= 0.324468 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.324468 0.945897 0.000000 ) a(3) = ( -0.662234 -0.472948 0.581177 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.343026 0.860324 ) b(2) = ( 0.000000 1.057198 0.860324 ) b(3) = ( 0.000000 0.000000 1.720647 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0215081), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0430162), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0645243), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0860324), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.1075405), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.1290486), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.1505566), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1720647), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1935728), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.2150809), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.2365890), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.2580971), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.2796052), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.3011133), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.3226214), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.3441295), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.3656376), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.3871457), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.4086537), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.4301618), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.4516699), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.4731780), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.4946861), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.5161942), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.5377023), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.5592104), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.5807185), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.6022266), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.6237347), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.6452428), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.6667509), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.6882589), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.7097670), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.7312751), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.7527832), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.7742913), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.7957994), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.8173075), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.8388156), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.8603237), wk = 0.0035842 k( 42) = ( 0.0000000 0.0000000 0.8603237), wk = 0.0035842 k( 43) = ( -0.0115918 0.0162312 0.8603237), wk = 0.0035842 k( 44) = ( -0.0231837 0.0324623 0.8603237), wk = 0.0035842 k( 45) = ( -0.0347755 0.0486935 0.8603237), wk = 0.0035842 k( 46) = ( -0.0463674 0.0649247 0.8603237), wk = 0.0035842 k( 47) = ( -0.0579592 0.0811558 0.8603237), wk = 0.0035842 k( 48) = ( -0.0695510 0.0973870 0.8603237), wk = 0.0035842 k( 49) = ( -0.0811429 0.1136182 0.8603237), wk = 0.0035842 k( 50) = ( -0.0927347 0.1298494 0.8603237), wk = 0.0035842 k( 51) = ( -0.1043265 0.1460805 0.8603237), wk = 0.0035842 k( 52) = ( -0.1159184 0.1623117 0.8603237), wk = 0.0035842 k( 53) = ( -0.1275102 0.1785429 0.8603237), wk = 0.0035842 k( 54) = ( -0.1275102 0.1785429 0.8603237), wk = 0.0035842 k( 55) = ( -0.1359759 0.1903967 0.8457572), wk = 0.0035842 k( 56) = ( -0.1444416 0.2022505 0.8311908), wk = 0.0035842 k( 57) = ( -0.1529072 0.2141044 0.8166244), wk = 0.0035842 k( 58) = ( -0.1613729 0.2259582 0.8020579), wk = 0.0035842 k( 59) = ( -0.1698386 0.2378121 0.7874915), wk = 0.0035842 k( 60) = ( -0.1783043 0.2496659 0.7729250), wk = 0.0035842 k( 61) = ( -0.1867699 0.2615198 0.7583586), wk = 0.0035842 k( 62) = ( -0.1952356 0.2733736 0.7437921), wk = 0.0035842 k( 63) = ( -0.2037013 0.2852275 0.7292257), wk = 0.0035842 k( 64) = ( -0.2121670 0.2970813 0.7146592), wk = 0.0035842 k( 65) = ( -0.2206327 0.3089351 0.7000928), wk = 0.0035842 k( 66) = ( -0.2290983 0.3207890 0.6855263), wk = 0.0035842 k( 67) = ( -0.2375640 0.3326428 0.6709599), wk = 0.0035842 k( 68) = ( -0.2460297 0.3444967 0.6563935), wk = 0.0035842 k( 69) = ( -0.2544954 0.3563505 0.6418270), wk = 0.0035842 k( 70) = ( -0.2629610 0.3682044 0.6272606), wk = 0.0035842 k( 71) = ( -0.2714267 0.3800582 0.6126941), wk = 0.0035842 k( 72) = ( -0.2798924 0.3919121 0.5981277), wk = 0.0035842 k( 73) = ( -0.2883581 0.4037659 0.5835612), wk = 0.0035842 k( 74) = ( -0.2968237 0.4156198 0.5689948), wk = 0.0035842 k( 75) = ( -0.3052894 0.4274736 0.5544283), wk = 0.0035842 k( 76) = ( -0.3137551 0.4393274 0.5398619), wk = 0.0035842 k( 77) = ( -0.3137551 0.4393274 0.5398619), wk = 0.0035842 k( 78) = ( -0.3050397 0.4271239 0.5248657), wk = 0.0035842 k( 79) = ( -0.2963243 0.4149204 0.5098696), wk = 0.0035842 k( 80) = ( -0.2876088 0.4027168 0.4948734), wk = 0.0035842 k( 81) = ( -0.2788934 0.3905133 0.4798772), wk = 0.0035842 k( 82) = ( -0.2701780 0.3783097 0.4648811), wk = 0.0035842 k( 83) = ( -0.2614626 0.3661062 0.4498849), wk = 0.0035842 k( 84) = ( -0.2527472 0.3539027 0.4348888), wk = 0.0035842 k( 85) = ( -0.2440317 0.3416991 0.4198926), wk = 0.0035842 k( 86) = ( -0.2353163 0.3294956 0.4048964), wk = 0.0035842 k( 87) = ( -0.2266009 0.3172920 0.3899003), wk = 0.0035842 k( 88) = ( -0.2178855 0.3050885 0.3749041), wk = 0.0035842 k( 89) = ( -0.2091701 0.2928850 0.3599079), wk = 0.0035842 k( 90) = ( -0.2004547 0.2806814 0.3449118), wk = 0.0035842 k( 91) = ( -0.1917392 0.2684779 0.3299156), wk = 0.0035842 k( 92) = ( -0.1830238 0.2562743 0.3149194), wk = 0.0035842 k( 93) = ( -0.1743084 0.2440708 0.2999233), wk = 0.0035842 k( 94) = ( -0.1655930 0.2318673 0.2849271), wk = 0.0035842 k( 95) = ( -0.1568776 0.2196637 0.2699309), wk = 0.0035842 k( 96) = ( -0.1481621 0.2074602 0.2549348), wk = 0.0035842 k( 97) = ( -0.1394467 0.1952566 0.2399386), wk = 0.0035842 k( 98) = ( -0.1307313 0.1830531 0.2249424), wk = 0.0035842 k( 99) = ( -0.1220159 0.1708496 0.2099463), wk = 0.0035842 k( 100) = ( -0.1133004 0.1586460 0.1949501), wk = 0.0035842 k( 101) = ( -0.1045850 0.1464425 0.1799540), wk = 0.0035842 k( 102) = ( -0.0958696 0.1342389 0.1649578), wk = 0.0035842 k( 103) = ( -0.0871542 0.1220354 0.1499616), wk = 0.0035842 k( 104) = ( -0.0784388 0.1098319 0.1349655), wk = 0.0035842 k( 105) = ( -0.0697234 0.0976283 0.1199693), wk = 0.0035842 k( 106) = ( -0.0610079 0.0854248 0.1049732), wk = 0.0035842 k( 107) = ( -0.0522925 0.0732212 0.0899770), wk = 0.0035842 k( 108) = ( -0.0435771 0.0610177 0.0749808), wk = 0.0035842 k( 109) = ( -0.0348617 0.0488142 0.0599847), wk = 0.0035842 k( 110) = ( -0.0261463 0.0366106 0.0449885), wk = 0.0035842 k( 111) = ( -0.0174308 0.0244071 0.0299923), wk = 0.0035842 k( 112) = ( -0.0087154 0.0122035 0.0149962), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 115) = ( 0.0172414 0.0123133 0.0000000), wk = 0.0035842 k( 116) = ( 0.0344828 0.0246266 0.0000000), wk = 0.0035842 k( 117) = ( 0.0517241 0.0369399 0.0000000), wk = 0.0035842 k( 118) = ( 0.0689655 0.0492532 0.0000000), wk = 0.0035842 k( 119) = ( 0.0862069 0.0615665 0.0000000), wk = 0.0035842 k( 120) = ( 0.1034483 0.0738798 0.0000000), wk = 0.0035842 k( 121) = ( 0.1206897 0.0861931 0.0000000), wk = 0.0035842 k( 122) = ( 0.1379310 0.0985064 0.0000000), wk = 0.0035842 k( 123) = ( 0.1551724 0.1108197 0.0000000), wk = 0.0035842 k( 124) = ( 0.1724138 0.1231330 0.0000000), wk = 0.0035842 k( 125) = ( 0.1896552 0.1354463 0.0000000), wk = 0.0035842 k( 126) = ( 0.2068966 0.1477596 0.0000000), wk = 0.0035842 k( 127) = ( 0.2241379 0.1600729 0.0000000), wk = 0.0035842 k( 128) = ( 0.2413793 0.1723862 0.0000000), wk = 0.0035842 k( 129) = ( 0.2586207 0.1846995 0.0000000), wk = 0.0035842 k( 130) = ( 0.2758621 0.1970128 0.0000000), wk = 0.0035842 k( 131) = ( 0.2931034 0.2093261 0.0000000), wk = 0.0035842 k( 132) = ( 0.3103448 0.2216394 0.0000000), wk = 0.0035842 k( 133) = ( 0.3275862 0.2339527 0.0000000), wk = 0.0035842 k( 134) = ( 0.3448276 0.2462660 0.0000000), wk = 0.0035842 k( 135) = ( 0.3620690 0.2585793 0.0000000), wk = 0.0035842 k( 136) = ( 0.3793103 0.2708926 0.0000000), wk = 0.0035842 k( 137) = ( 0.3965517 0.2832059 0.0000000), wk = 0.0035842 k( 138) = ( 0.4137931 0.2955192 0.0000000), wk = 0.0035842 k( 139) = ( 0.4310345 0.3078325 0.0000000), wk = 0.0035842 k( 140) = ( 0.4482759 0.3201458 0.0000000), wk = 0.0035842 k( 141) = ( 0.4655172 0.3324591 0.0000000), wk = 0.0035842 k( 142) = ( 0.4827586 0.3447724 0.0000000), wk = 0.0035842 k( 143) = ( 0.5000000 0.3570857 0.0000000), wk = 0.0035842 k( 144) = ( 0.5000000 0.3570857 0.0000000), wk = 0.0035842 k( 145) = ( 0.4915343 0.3689396 0.0145665), wk = 0.0035842 k( 146) = ( 0.4830686 0.3807934 0.0291329), wk = 0.0035842 k( 147) = ( 0.4746030 0.3926472 0.0436993), wk = 0.0035842 k( 148) = ( 0.4661373 0.4045011 0.0582658), wk = 0.0035842 k( 149) = ( 0.4576716 0.4163549 0.0728322), wk = 0.0035842 k( 150) = ( 0.4492059 0.4282088 0.0873987), wk = 0.0035842 k( 151) = ( 0.4407403 0.4400626 0.1019651), wk = 0.0035842 k( 152) = ( 0.4322746 0.4519165 0.1165316), wk = 0.0035842 k( 153) = ( 0.4238089 0.4637703 0.1310980), wk = 0.0035842 k( 154) = ( 0.4153432 0.4756242 0.1456644), wk = 0.0035842 k( 155) = ( 0.4068775 0.4874780 0.1602309), wk = 0.0035842 k( 156) = ( 0.3984119 0.4993319 0.1747973), wk = 0.0035842 k( 157) = ( 0.3899462 0.5111857 0.1893638), wk = 0.0035842 k( 158) = ( 0.3814805 0.5230395 0.2039302), wk = 0.0035842 k( 159) = ( 0.3730148 0.5348934 0.2184967), wk = 0.0035842 k( 160) = ( 0.3645492 0.5467472 0.2330631), wk = 0.0035842 k( 161) = ( 0.3560835 0.5586011 0.2476296), wk = 0.0035842 k( 162) = ( 0.3476178 0.5704549 0.2621960), wk = 0.0035842 k( 163) = ( 0.3391521 0.5823088 0.2767625), wk = 0.0035842 k( 164) = ( 0.3306865 0.5941626 0.2913289), wk = 0.0035842 k( 165) = ( 0.3222208 0.6060165 0.3058953), wk = 0.0035842 k( 166) = ( 0.3137551 0.6178703 0.3204618), wk = 0.0035842 k( 167) = ( 0.3137551 0.6178703 0.3204618), wk = 0.0035842 k( 168) = ( 0.2941454 0.6122908 0.3273180), wk = 0.0035842 k( 169) = ( 0.2745357 0.6067114 0.3341743), wk = 0.0035842 k( 170) = ( 0.2549260 0.6011319 0.3410306), wk = 0.0035842 k( 171) = ( 0.2353163 0.5955524 0.3478868), wk = 0.0035842 k( 172) = ( 0.2157066 0.5899730 0.3547431), wk = 0.0035842 k( 173) = ( 0.1960969 0.5843935 0.3615993), wk = 0.0035842 k( 174) = ( 0.1764873 0.5788140 0.3684556), wk = 0.0035842 k( 175) = ( 0.1568776 0.5732346 0.3753118), wk = 0.0035842 k( 176) = ( 0.1372679 0.5676551 0.3821681), wk = 0.0035842 k( 177) = ( 0.1176582 0.5620757 0.3890243), wk = 0.0035842 k( 178) = ( 0.0980485 0.5564962 0.3958806), wk = 0.0035842 k( 179) = ( 0.0784388 0.5509167 0.4027368), wk = 0.0035842 k( 180) = ( 0.0588291 0.5453373 0.4095931), wk = 0.0035842 k( 181) = ( 0.0392194 0.5397578 0.4164493), wk = 0.0035842 k( 182) = ( 0.0196097 0.5341783 0.4233056), wk = 0.0035842 k( 183) = ( 0.0000000 0.5285989 0.4301618), wk = 0.0035842 k( 184) = ( 0.0000000 0.5285989 0.4301618), wk = 0.0035842 k( 185) = ( 0.0086207 0.5165280 0.4449950), wk = 0.0035842 k( 186) = ( 0.0172414 0.5044571 0.4598282), wk = 0.0035842 k( 187) = ( 0.0258621 0.4923862 0.4746613), wk = 0.0035842 k( 188) = ( 0.0344828 0.4803153 0.4894945), wk = 0.0035842 k( 189) = ( 0.0431035 0.4682444 0.5043277), wk = 0.0035842 k( 190) = ( 0.0517241 0.4561735 0.5191608), wk = 0.0035842 k( 191) = ( 0.0603448 0.4441026 0.5339940), wk = 0.0035842 k( 192) = ( 0.0689655 0.4320317 0.5488272), wk = 0.0035842 k( 193) = ( 0.0775862 0.4199608 0.5636603), wk = 0.0035842 k( 194) = ( 0.0862069 0.4078899 0.5784935), wk = 0.0035842 k( 195) = ( 0.0948276 0.3958190 0.5933267), wk = 0.0035842 k( 196) = ( 0.1034483 0.3837481 0.6081599), wk = 0.0035842 k( 197) = ( 0.1120690 0.3716772 0.6229930), wk = 0.0035842 k( 198) = ( 0.1206897 0.3596063 0.6378262), wk = 0.0035842 k( 199) = ( 0.1293103 0.3475354 0.6526593), wk = 0.0035842 k( 200) = ( 0.1379310 0.3354645 0.6674925), wk = 0.0035842 k( 201) = ( 0.1465517 0.3233936 0.6823257), wk = 0.0035842 k( 202) = ( 0.1551724 0.3113227 0.6971588), wk = 0.0035842 k( 203) = ( 0.1637931 0.2992518 0.7119920), wk = 0.0035842 k( 204) = ( 0.1724138 0.2871809 0.7268252), wk = 0.0035842 k( 205) = ( 0.1810345 0.2751100 0.7416583), wk = 0.0035842 k( 206) = ( 0.1896552 0.2630391 0.7564915), wk = 0.0035842 k( 207) = ( 0.1982759 0.2509682 0.7713247), wk = 0.0035842 k( 208) = ( 0.2068966 0.2388973 0.7861578), wk = 0.0035842 k( 209) = ( 0.2155172 0.2268264 0.8009910), wk = 0.0035842 k( 210) = ( 0.2241379 0.2147555 0.8158242), wk = 0.0035842 k( 211) = ( 0.2327586 0.2026847 0.8306573), wk = 0.0035842 k( 212) = ( 0.2413793 0.1906138 0.8454905), wk = 0.0035842 k( 213) = ( 0.2500000 0.1785429 0.8603237), wk = 0.0035842 k( 214) = ( 0.2500000 0.1785429 0.8603237), wk = 0.0035842 k( 215) = ( 0.2638889 0.1884619 0.8481348), wk = 0.0035842 k( 216) = ( 0.2777778 0.1983810 0.8359459), wk = 0.0035842 k( 217) = ( 0.2916667 0.2083000 0.8237570), wk = 0.0035842 k( 218) = ( 0.3055556 0.2182191 0.8115681), wk = 0.0035842 k( 219) = ( 0.3194444 0.2281381 0.7993792), wk = 0.0035842 k( 220) = ( 0.3333333 0.2380571 0.7871903), wk = 0.0035842 k( 221) = ( 0.3472222 0.2479762 0.7750014), wk = 0.0035842 k( 222) = ( 0.3611111 0.2578952 0.7628125), wk = 0.0035842 k( 223) = ( 0.3750000 0.2678143 0.7506236), wk = 0.0035842 k( 224) = ( 0.3888889 0.2777333 0.7384347), wk = 0.0035842 k( 225) = ( 0.4027778 0.2876524 0.7262459), wk = 0.0035842 k( 226) = ( 0.4166667 0.2975714 0.7140570), wk = 0.0035842 k( 227) = ( 0.4305556 0.3074905 0.7018681), wk = 0.0035842 k( 228) = ( 0.4444444 0.3174095 0.6896792), wk = 0.0035842 k( 229) = ( 0.4583333 0.3273286 0.6774903), wk = 0.0035842 k( 230) = ( 0.4722222 0.3372476 0.6653014), wk = 0.0035842 k( 231) = ( 0.4861111 0.3471667 0.6531125), wk = 0.0035842 k( 232) = ( 0.5000000 0.3570857 0.6409236), wk = 0.0035842 k( 233) = ( 0.5000000 0.3570857 0.6409236), wk = 0.0035842 k( 234) = ( 0.5000000 0.3570857 0.6195595), wk = 0.0035842 k( 235) = ( 0.5000000 0.3570857 0.5981953), wk = 0.0035842 k( 236) = ( 0.5000000 0.3570857 0.5768312), wk = 0.0035842 k( 237) = ( 0.5000000 0.3570857 0.5554671), wk = 0.0035842 k( 238) = ( 0.5000000 0.3570857 0.5341030), wk = 0.0035842 k( 239) = ( 0.5000000 0.3570857 0.5127389), wk = 0.0035842 k( 240) = ( 0.5000000 0.3570857 0.4913747), wk = 0.0035842 k( 241) = ( 0.5000000 0.3570857 0.4700106), wk = 0.0035842 k( 242) = ( 0.5000000 0.3570857 0.4486465), wk = 0.0035842 k( 243) = ( 0.5000000 0.3570857 0.4272824), wk = 0.0035842 k( 244) = ( 0.5000000 0.3570857 0.4059183), wk = 0.0035842 k( 245) = ( 0.5000000 0.3570857 0.3845542), wk = 0.0035842 k( 246) = ( 0.5000000 0.3570857 0.3631900), wk = 0.0035842 k( 247) = ( 0.5000000 0.3570857 0.3418259), wk = 0.0035842 k( 248) = ( 0.5000000 0.3570857 0.3204618), wk = 0.0035842 k( 249) = ( 0.5000000 0.3570857 0.2990977), wk = 0.0035842 k( 250) = ( 0.5000000 0.3570857 0.2777335), wk = 0.0035842 k( 251) = ( 0.5000000 0.3570857 0.2563694), wk = 0.0035842 k( 252) = ( 0.5000000 0.3570857 0.2350053), wk = 0.0035842 k( 253) = ( 0.5000000 0.3570857 0.2136412), wk = 0.0035842 k( 254) = ( 0.5000000 0.3570857 0.1922771), wk = 0.0035842 k( 255) = ( 0.5000000 0.3570857 0.1709130), wk = 0.0035842 k( 256) = ( 0.5000000 0.3570857 0.1495488), wk = 0.0035842 k( 257) = ( 0.5000000 0.3570857 0.1281847), wk = 0.0035842 k( 258) = ( 0.5000000 0.3570857 0.1068206), wk = 0.0035842 k( 259) = ( 0.5000000 0.3570857 0.0854565), wk = 0.0035842 k( 260) = ( 0.5000000 0.3570857 0.0640924), wk = 0.0035842 k( 261) = ( 0.5000000 0.3570857 0.0427282), wk = 0.0035842 k( 262) = ( 0.5000000 0.3570857 0.0213641), wk = 0.0035842 k( 263) = ( 0.5000000 0.3570857 0.0000000), wk = 0.0035842 k( 264) = ( 0.0000000 0.0000000 0.8603237), wk = 0.0035842 k( 265) = ( 0.0166667 0.0119029 0.8603237), wk = 0.0035842 k( 266) = ( 0.0333333 0.0238057 0.8603237), wk = 0.0035842 k( 267) = ( 0.0500000 0.0357086 0.8603237), wk = 0.0035842 k( 268) = ( 0.0666667 0.0476114 0.8603237), wk = 0.0035842 k( 269) = ( 0.0833333 0.0595143 0.8603237), wk = 0.0035842 k( 270) = ( 0.1000000 0.0714171 0.8603237), wk = 0.0035842 k( 271) = ( 0.1166667 0.0833200 0.8603237), wk = 0.0035842 k( 272) = ( 0.1333333 0.0952229 0.8603237), wk = 0.0035842 k( 273) = ( 0.1500000 0.1071257 0.8603237), wk = 0.0035842 k( 274) = ( 0.1666667 0.1190286 0.8603237), wk = 0.0035842 k( 275) = ( 0.1833333 0.1309314 0.8603237), wk = 0.0035842 k( 276) = ( 0.2000000 0.1428343 0.8603237), wk = 0.0035842 k( 277) = ( 0.2166667 0.1547371 0.8603237), wk = 0.0035842 k( 278) = ( 0.2333333 0.1666400 0.8603237), wk = 0.0035842 k( 279) = ( 0.2500000 0.1785429 0.8603237), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 43) = ( -0.0115918 0.0115918 0.5000000), wk = 0.0035842 k( 44) = ( -0.0231837 0.0231837 0.5000000), wk = 0.0035842 k( 45) = ( -0.0347755 0.0347755 0.5000000), wk = 0.0035842 k( 46) = ( -0.0463674 0.0463674 0.5000000), wk = 0.0035842 k( 47) = ( -0.0579592 0.0579592 0.5000000), wk = 0.0035842 k( 48) = ( -0.0695510 0.0695510 0.5000000), wk = 0.0035842 k( 49) = ( -0.0811429 0.0811429 0.5000000), wk = 0.0035842 k( 50) = ( -0.0927347 0.0927347 0.5000000), wk = 0.0035842 k( 51) = ( -0.1043265 0.1043265 0.5000000), wk = 0.0035842 k( 52) = ( -0.1159184 0.1159184 0.5000000), wk = 0.0035842 k( 53) = ( -0.1275102 0.1275102 0.5000000), wk = 0.0035842 k( 54) = ( -0.1275102 0.1275102 0.5000000), wk = 0.0035842 k( 55) = ( -0.1359759 0.1359759 0.4915343), wk = 0.0035842 k( 56) = ( -0.1444416 0.1444416 0.4830686), wk = 0.0035842 k( 57) = ( -0.1529072 0.1529072 0.4746030), wk = 0.0035842 k( 58) = ( -0.1613729 0.1613729 0.4661373), wk = 0.0035842 k( 59) = ( -0.1698386 0.1698386 0.4576716), wk = 0.0035842 k( 60) = ( -0.1783043 0.1783043 0.4492059), wk = 0.0035842 k( 61) = ( -0.1867699 0.1867700 0.4407403), wk = 0.0035842 k( 62) = ( -0.1952356 0.1952356 0.4322746), wk = 0.0035842 k( 63) = ( -0.2037013 0.2037013 0.4238089), wk = 0.0035842 k( 64) = ( -0.2121670 0.2121670 0.4153432), wk = 0.0035842 k( 65) = ( -0.2206327 0.2206326 0.4068776), wk = 0.0035842 k( 66) = ( -0.2290983 0.2290983 0.3984119), wk = 0.0035842 k( 67) = ( -0.2375640 0.2375640 0.3899462), wk = 0.0035842 k( 68) = ( -0.2460297 0.2460297 0.3814805), wk = 0.0035842 k( 69) = ( -0.2544954 0.2544954 0.3730148), wk = 0.0035842 k( 70) = ( -0.2629610 0.2629610 0.3645492), wk = 0.0035842 k( 71) = ( -0.2714267 0.2714267 0.3560835), wk = 0.0035842 k( 72) = ( -0.2798924 0.2798924 0.3476178), wk = 0.0035842 k( 73) = ( -0.2883581 0.2883581 0.3391521), wk = 0.0035842 k( 74) = ( -0.2968237 0.2968237 0.3306865), wk = 0.0035842 k( 75) = ( -0.3052894 0.3052894 0.3222208), wk = 0.0035842 k( 76) = ( -0.3137551 0.3137551 0.3137551), wk = 0.0035842 k( 77) = ( -0.3137551 0.3137551 0.3137551), wk = 0.0035842 k( 78) = ( -0.3050397 0.3050397 0.3050397), wk = 0.0035842 k( 79) = ( -0.2963243 0.2963243 0.2963243), wk = 0.0035842 k( 80) = ( -0.2876088 0.2876088 0.2876088), wk = 0.0035842 k( 81) = ( -0.2788934 0.2788934 0.2788934), wk = 0.0035842 k( 82) = ( -0.2701780 0.2701780 0.2701780), wk = 0.0035842 k( 83) = ( -0.2614626 0.2614626 0.2614626), wk = 0.0035842 k( 84) = ( -0.2527472 0.2527472 0.2527472), wk = 0.0035842 k( 85) = ( -0.2440317 0.2440318 0.2440317), wk = 0.0035842 k( 86) = ( -0.2353163 0.2353163 0.2353163), wk = 0.0035842 k( 87) = ( -0.2266009 0.2266009 0.2266009), wk = 0.0035842 k( 88) = ( -0.2178855 0.2178855 0.2178855), wk = 0.0035842 k( 89) = ( -0.2091701 0.2091701 0.2091701), wk = 0.0035842 k( 90) = ( -0.2004547 0.2004547 0.2004546), wk = 0.0035842 k( 91) = ( -0.1917392 0.1917392 0.1917392), wk = 0.0035842 k( 92) = ( -0.1830238 0.1830238 0.1830238), wk = 0.0035842 k( 93) = ( -0.1743084 0.1743084 0.1743084), wk = 0.0035842 k( 94) = ( -0.1655930 0.1655930 0.1655930), wk = 0.0035842 k( 95) = ( -0.1568776 0.1568776 0.1568775), wk = 0.0035842 k( 96) = ( -0.1481621 0.1481621 0.1481621), wk = 0.0035842 k( 97) = ( -0.1394467 0.1394467 0.1394467), wk = 0.0035842 k( 98) = ( -0.1307313 0.1307313 0.1307313), wk = 0.0035842 k( 99) = ( -0.1220159 0.1220159 0.1220159), wk = 0.0035842 k( 100) = ( -0.1133004 0.1133004 0.1133005), wk = 0.0035842 k( 101) = ( -0.1045850 0.1045850 0.1045850), wk = 0.0035842 k( 102) = ( -0.0958696 0.0958696 0.0958696), wk = 0.0035842 k( 103) = ( -0.0871542 0.0871542 0.0871542), wk = 0.0035842 k( 104) = ( -0.0784388 0.0784388 0.0784388), wk = 0.0035842 k( 105) = ( -0.0697234 0.0697234 0.0697234), wk = 0.0035842 k( 106) = ( -0.0610079 0.0610079 0.0610079), wk = 0.0035842 k( 107) = ( -0.0522925 0.0522925 0.0522925), wk = 0.0035842 k( 108) = ( -0.0435771 0.0435771 0.0435771), wk = 0.0035842 k( 109) = ( -0.0348617 0.0348617 0.0348617), wk = 0.0035842 k( 110) = ( -0.0261463 0.0261463 0.0261463), wk = 0.0035842 k( 111) = ( -0.0174308 0.0174308 0.0174308), wk = 0.0035842 k( 112) = ( -0.0087154 0.0087154 0.0087154), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 115) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0035842 k( 116) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0035842 k( 117) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0035842 k( 118) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0035842 k( 119) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0035842 k( 120) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0035842 k( 121) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0035842 k( 122) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0035842 k( 123) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0035842 k( 124) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0035842 k( 125) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0035842 k( 126) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0035842 k( 127) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0035842 k( 128) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0035842 k( 129) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0035842 k( 130) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0035842 k( 131) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0035842 k( 132) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0035842 k( 133) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0035842 k( 134) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0035842 k( 135) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0035842 k( 136) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0035842 k( 137) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0035842 k( 138) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0035842 k( 139) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0035842 k( 140) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0035842 k( 141) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0035842 k( 142) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0035842 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 145) = ( 0.4915343 0.5084657 -0.4915343), wk = 0.0035842 k( 146) = ( 0.4830686 0.5169313 -0.4830686), wk = 0.0035842 k( 147) = ( 0.4746030 0.5253970 -0.4746030), wk = 0.0035842 k( 148) = ( 0.4661373 0.5338627 -0.4661373), wk = 0.0035842 k( 149) = ( 0.4576716 0.5423284 -0.4576716), wk = 0.0035842 k( 150) = ( 0.4492059 0.5507941 -0.4492059), wk = 0.0035842 k( 151) = ( 0.4407403 0.5592597 -0.4407403), wk = 0.0035842 k( 152) = ( 0.4322746 0.5677254 -0.4322746), wk = 0.0035842 k( 153) = ( 0.4238089 0.5761911 -0.4238089), wk = 0.0035842 k( 154) = ( 0.4153432 0.5846568 -0.4153432), wk = 0.0035842 k( 155) = ( 0.4068775 0.5931224 -0.4068775), wk = 0.0035842 k( 156) = ( 0.3984119 0.6015881 -0.3984119), wk = 0.0035842 k( 157) = ( 0.3899462 0.6100538 -0.3899462), wk = 0.0035842 k( 158) = ( 0.3814805 0.6185195 -0.3814805), wk = 0.0035842 k( 159) = ( 0.3730148 0.6269852 -0.3730148), wk = 0.0035842 k( 160) = ( 0.3645492 0.6354508 -0.3645492), wk = 0.0035842 k( 161) = ( 0.3560835 0.6439165 -0.3560835), wk = 0.0035842 k( 162) = ( 0.3476178 0.6523822 -0.3476178), wk = 0.0035842 k( 163) = ( 0.3391521 0.6608479 -0.3391521), wk = 0.0035842 k( 164) = ( 0.3306865 0.6693135 -0.3306865), wk = 0.0035842 k( 165) = ( 0.3222208 0.6777792 -0.3222208), wk = 0.0035842 k( 166) = ( 0.3137551 0.6862449 -0.3137551), wk = 0.0035842 k( 167) = ( 0.3137551 0.6862449 -0.3137551), wk = 0.0035842 k( 168) = ( 0.2941454 0.6746046 -0.2941454), wk = 0.0035842 k( 169) = ( 0.2745357 0.6629643 -0.2745357), wk = 0.0035842 k( 170) = ( 0.2549260 0.6513240 -0.2549260), wk = 0.0035842 k( 171) = ( 0.2353163 0.6396837 -0.2353163), wk = 0.0035842 k( 172) = ( 0.2157066 0.6280434 -0.2157066), wk = 0.0035842 k( 173) = ( 0.1960969 0.6164031 -0.1960969), wk = 0.0035842 k( 174) = ( 0.1764873 0.6047628 -0.1764872), wk = 0.0035842 k( 175) = ( 0.1568776 0.5931224 -0.1568775), wk = 0.0035842 k( 176) = ( 0.1372679 0.5814821 -0.1372679), wk = 0.0035842 k( 177) = ( 0.1176582 0.5698418 -0.1176582), wk = 0.0035842 k( 178) = ( 0.0980485 0.5582015 -0.0980485), wk = 0.0035842 k( 179) = ( 0.0784388 0.5465612 -0.0784388), wk = 0.0035842 k( 180) = ( 0.0588291 0.5349209 -0.0588291), wk = 0.0035842 k( 181) = ( 0.0392194 0.5232806 -0.0392194), wk = 0.0035842 k( 182) = ( 0.0196097 0.5116403 -0.0196097), wk = 0.0035842 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 185) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035842 k( 186) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035842 k( 187) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035842 k( 188) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035842 k( 189) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0035842 k( 190) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035842 k( 191) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035842 k( 192) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035842 k( 193) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035842 k( 194) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035842 k( 195) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035842 k( 196) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035842 k( 197) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035842 k( 198) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035842 k( 199) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035842 k( 200) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035842 k( 201) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035842 k( 202) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035842 k( 203) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035842 k( 204) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035842 k( 205) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035842 k( 206) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035842 k( 207) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035842 k( 208) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0035842 k( 209) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035842 k( 210) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035842 k( 211) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035842 k( 212) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035842 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 215) = ( 0.2638889 0.2638889 0.2290272), wk = 0.0035842 k( 216) = ( 0.2777778 0.2777778 0.2080544), wk = 0.0035842 k( 217) = ( 0.2916667 0.2916667 0.1870816), wk = 0.0035842 k( 218) = ( 0.3055556 0.3055556 0.1661088), wk = 0.0035842 k( 219) = ( 0.3194444 0.3194444 0.1451361), wk = 0.0035842 k( 220) = ( 0.3333333 0.3333333 0.1241633), wk = 0.0035842 k( 221) = ( 0.3472222 0.3472222 0.1031905), wk = 0.0035842 k( 222) = ( 0.3611111 0.3611111 0.0822177), wk = 0.0035842 k( 223) = ( 0.3750000 0.3750000 0.0612449), wk = 0.0035842 k( 224) = ( 0.3888889 0.3888889 0.0402721), wk = 0.0035842 k( 225) = ( 0.4027778 0.4027778 0.0192993), wk = 0.0035842 k( 226) = ( 0.4166667 0.4166667 -0.0016735), wk = 0.0035842 k( 227) = ( 0.4305556 0.4305556 -0.0226463), wk = 0.0035842 k( 228) = ( 0.4444444 0.4444444 -0.0436190), wk = 0.0035842 k( 229) = ( 0.4583333 0.4583333 -0.0645918), wk = 0.0035842 k( 230) = ( 0.4722222 0.4722222 -0.0855646), wk = 0.0035842 k( 231) = ( 0.4861111 0.4861111 -0.1065374), wk = 0.0035842 k( 232) = ( 0.5000000 0.5000000 -0.1275102), wk = 0.0035842 k( 233) = ( 0.5000000 0.5000000 -0.1275102), wk = 0.0035842 k( 234) = ( 0.5000000 0.5000000 -0.1399265), wk = 0.0035842 k( 235) = ( 0.5000000 0.5000000 -0.1523429), wk = 0.0035842 k( 236) = ( 0.5000000 0.5000000 -0.1647592), wk = 0.0035842 k( 237) = ( 0.5000000 0.5000000 -0.1771755), wk = 0.0035842 k( 238) = ( 0.5000000 0.5000000 -0.1895918), wk = 0.0035842 k( 239) = ( 0.5000000 0.5000000 -0.2020082), wk = 0.0035842 k( 240) = ( 0.5000000 0.5000000 -0.2144245), wk = 0.0035842 k( 241) = ( 0.5000000 0.5000000 -0.2268408), wk = 0.0035842 k( 242) = ( 0.5000000 0.5000000 -0.2392571), wk = 0.0035842 k( 243) = ( 0.5000000 0.5000000 -0.2516735), wk = 0.0035842 k( 244) = ( 0.5000000 0.5000000 -0.2640898), wk = 0.0035842 k( 245) = ( 0.5000000 0.5000000 -0.2765061), wk = 0.0035842 k( 246) = ( 0.5000000 0.5000000 -0.2889224), wk = 0.0035842 k( 247) = ( 0.5000000 0.5000000 -0.3013388), wk = 0.0035842 k( 248) = ( 0.5000000 0.5000000 -0.3137551), wk = 0.0035842 k( 249) = ( 0.5000000 0.5000000 -0.3261714), wk = 0.0035842 k( 250) = ( 0.5000000 0.5000000 -0.3385878), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 -0.3510041), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 -0.3634204), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 -0.3758367), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 -0.3882531), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 -0.4006694), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 -0.4130857), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 -0.4255020), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 -0.4379184), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 -0.4503347), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 -0.4627510), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 -0.4751673), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 -0.4875837), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 265) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035842 k( 266) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035842 k( 267) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035842 k( 268) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035842 k( 269) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035842 k( 270) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035842 k( 271) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035842 k( 272) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035842 k( 273) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035842 k( 274) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035842 k( 275) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035842 k( 276) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035842 k( 277) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035842 k( 278) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035842 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 Dense grid: 88887 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 46885 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 252, 50) NL pseudopotentials 0.25 Mb ( 126, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1851) G-vector shells 0.01 Mb ( 866) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 252, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Al2ZnSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.5 secs Computing kpt #: 4 total cpu time spent up to now is 62.6 secs Computing kpt #: 5 total cpu time spent up to now is 66.9 secs Computing kpt #: 6 total cpu time spent up to now is 70.7 secs Computing kpt #: 7 total cpu time spent up to now is 73.4 secs Computing kpt #: 8 total cpu time spent up to now is 76.1 secs Computing kpt #: 9 total cpu time spent up to now is 78.9 secs Computing kpt #: 10 total cpu time spent up to now is 81.8 secs Computing kpt #: 11 total cpu time spent up to now is 84.5 secs Computing kpt #: 12 total cpu time spent up to now is 87.2 secs Computing kpt #: 13 total cpu time spent up to now is 89.8 secs Computing kpt #: 14 total cpu time spent up to now is 92.5 secs Computing kpt #: 15 total cpu time spent up to now is 95.1 secs Computing kpt #: 16 total cpu time spent up to now is 97.7 secs Computing kpt #: 17 total cpu time spent up to now is 100.4 secs Computing kpt #: 18 total cpu time spent up to now is 103.1 secs Computing kpt #: 19 total cpu time spent up to now is 106.2 secs Computing kpt #: 20 total cpu time spent up to now is 110.1 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.3 secs Computing kpt #: 22 total cpu time spent up to now is 120.3 secs Computing kpt #: 23 total cpu time spent up to now is 125.7 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.9 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.3 secs Computing kpt #: 26 total cpu time spent up to now is 142.2 secs Computing kpt #: 27 total cpu time spent up to now is 145.9 secs Computing kpt #: 28 total cpu time spent up to now is 149.3 secs Computing kpt #: 29 total cpu time spent up to now is 152.4 secs Computing kpt #: 30 total cpu time spent up to now is 155.5 secs Computing kpt #: 31 total cpu time spent up to now is 158.3 secs Computing kpt #: 32 total cpu time spent up to now is 161.1 secs Computing kpt #: 33 total cpu time spent up to now is 163.8 secs Computing kpt #: 34 total cpu time spent up to now is 166.6 secs Computing kpt #: 35 total cpu time spent up to now is 169.5 secs Computing kpt #: 36 total cpu time spent up to now is 173.2 secs Computing kpt #: 37 total cpu time spent up to now is 175.8 secs Computing kpt #: 38 total cpu time spent up to now is 178.7 secs Computing kpt #: 39 total cpu time spent up to now is 181.3 secs Computing kpt #: 40 total cpu time spent up to now is 184.0 secs Computing kpt #: 41 total cpu time spent up to now is 186.6 secs Computing kpt #: 42 total cpu time spent up to now is 189.2 secs Computing kpt #: 43 total cpu time spent up to now is 191.8 secs Computing kpt #: 44 total cpu time spent up to now is 194.5 secs Computing kpt #: 45 total cpu time spent up to now is 197.1 secs Computing kpt #: 46 total cpu time spent up to now is 199.8 secs Computing kpt #: 47 total cpu time spent up to now is 202.7 secs Computing kpt #: 48 total cpu time spent up to now is 205.5 secs Computing kpt #: 49 total cpu time spent up to now is 208.3 secs Computing kpt #: 50 total cpu time spent up to now is 211.2 secs Computing kpt #: 51 total cpu time spent up to now is 214.3 secs Computing kpt #: 52 total cpu time spent up to now is 217.1 secs Computing kpt #: 53 total cpu time spent up to now is 220.6 secs Computing kpt #: 54 total cpu time spent up to now is 223.3 secs Computing kpt #: 55 total cpu time spent up to now is 226.1 secs Computing kpt #: 56 total cpu time spent up to now is 228.7 secs Computing kpt #: 57 total cpu time spent up to now is 231.5 secs Computing kpt #: 58 total cpu time spent up to now is 234.1 secs Computing kpt #: 59 total cpu time spent up to now is 236.9 secs Computing kpt #: 60 total cpu time spent up to now is 239.5 secs Computing kpt #: 61 total cpu time spent up to now is 242.7 secs Computing kpt #: 62 total cpu time spent up to now is 245.3 secs Computing kpt #: 63 total cpu time spent up to now is 248.1 secs Computing kpt #: 64 total cpu time spent up to now is 250.8 secs Computing kpt #: 65 total cpu time spent up to now is 253.5 secs Computing kpt #: 66 total cpu time spent up to now is 256.2 secs Computing kpt #: 67 total cpu time spent up to now is 258.9 secs Computing kpt #: 68 total cpu time spent up to now is 261.6 secs Computing kpt #: 69 total cpu time spent up to now is 264.2 secs Computing kpt #: 70 total cpu time spent up to now is 266.9 secs Computing kpt #: 71 total cpu time spent up to now is 269.5 secs Computing kpt #: 72 total cpu time spent up to now is 272.1 secs Computing kpt #: 73 total cpu time spent up to now is 274.7 secs Computing kpt #: 74 total cpu time spent up to now is 277.3 secs Computing kpt #: 75 total cpu time spent up to now is 280.0 secs Computing kpt #: 76 total cpu time spent up to now is 282.7 secs Computing kpt #: 77 total cpu time spent up to now is 285.3 secs Computing kpt #: 78 total cpu time spent up to now is 287.9 secs Computing kpt #: 79 total cpu time spent up to now is 290.5 secs Computing kpt #: 80 total cpu time spent up to now is 293.1 secs Computing kpt #: 81 total cpu time spent up to now is 295.8 secs Computing kpt #: 82 total cpu time spent up to now is 298.5 secs Computing kpt #: 83 total cpu time spent up to now is 301.1 secs Computing kpt #: 84 total cpu time spent up to now is 303.7 secs Computing kpt #: 85 total cpu time spent up to now is 306.4 secs Computing kpt #: 86 total cpu time spent up to now is 309.0 secs Computing kpt #: 87 total cpu time spent up to now is 311.6 secs Computing kpt #: 88 total cpu time spent up to now is 314.3 secs Computing kpt #: 89 total cpu time spent up to now is 317.0 secs Computing kpt #: 90 total cpu time spent up to now is 319.8 secs Computing kpt #: 91 total cpu time spent up to now is 322.5 secs Computing kpt #: 92 total cpu time spent up to now is 326.5 secs Computing kpt #: 93 total cpu time spent up to now is 329.9 secs Computing kpt #: 94 total cpu time spent up to now is 332.9 secs Computing kpt #: 95 total cpu time spent up to now is 335.6 secs Computing kpt #: 96 total cpu time spent up to now is 338.2 secs Computing kpt #: 97 total cpu time spent up to now is 340.8 secs Computing kpt #: 98 total cpu time spent up to now is 343.3 secs Computing kpt #: 99 total cpu time spent up to now is 345.9 secs Computing kpt #: 100 total cpu time spent up to now is 348.5 secs Computing kpt #: 101 total cpu time spent up to now is 352.5 secs Computing kpt #: 102 total cpu time spent up to now is 356.7 secs Computing kpt #: 103 total cpu time spent up to now is 359.8 secs Computing kpt #: 104 total cpu time spent up to now is 362.9 secs Computing kpt #: 105 total cpu time spent up to now is 365.8 secs Computing kpt #: 106 total cpu time spent up to now is 369.5 secs Computing kpt #: 107 total cpu time spent up to now is 373.4 secs Computing kpt #: 108 total cpu time spent up to now is 378.5 secs Computing kpt #: 109 total cpu time spent up to now is 382.5 secs Computing kpt #: 110 total cpu time spent up to now is 387.6 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.4 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.0 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.0 secs Computing kpt #: 121 total cpu time spent up to now is 445.5 secs Computing kpt #: 122 total cpu time spent up to now is 449.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.9 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.2 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.0 secs Computing kpt #: 127 total cpu time spent up to now is 475.3 secs Computing kpt #: 128 total cpu time spent up to now is 478.4 secs Computing kpt #: 129 total cpu time spent up to now is 481.3 secs Computing kpt #: 130 total cpu time spent up to now is 484.2 secs Computing kpt #: 131 total cpu time spent up to now is 486.9 secs Computing kpt #: 132 total cpu time spent up to now is 489.6 secs Computing kpt #: 133 total cpu time spent up to now is 492.3 secs Computing kpt #: 134 total cpu time spent up to now is 494.9 secs Computing kpt #: 135 total cpu time spent up to now is 497.5 secs Computing kpt #: 136 total cpu time spent up to now is 500.1 secs Computing kpt #: 137 total cpu time spent up to now is 502.9 secs Computing kpt #: 138 total cpu time spent up to now is 505.5 secs Computing kpt #: 139 total cpu time spent up to now is 508.1 secs Computing kpt #: 140 total cpu time spent up to now is 510.6 secs Computing kpt #: 141 total cpu time spent up to now is 513.2 secs Computing kpt #: 142 total cpu time spent up to now is 515.7 secs Computing kpt #: 143 total cpu time spent up to now is 518.2 secs Computing kpt #: 144 total cpu time spent up to now is 520.6 secs Computing kpt #: 145 total cpu time spent up to now is 523.1 secs Computing kpt #: 146 total cpu time spent up to now is 525.7 secs Computing kpt #: 147 total cpu time spent up to now is 528.2 secs Computing kpt #: 148 total cpu time spent up to now is 531.1 secs Computing kpt #: 149 total cpu time spent up to now is 533.6 secs Computing kpt #: 150 total cpu time spent up to now is 536.2 secs Computing kpt #: 151 total cpu time spent up to now is 540.1 secs Computing kpt #: 152 total cpu time spent up to now is 542.7 secs Computing kpt #: 153 total cpu time spent up to now is 545.3 secs Computing kpt #: 154 total cpu time spent up to now is 547.9 secs Computing kpt #: 155 total cpu time spent up to now is 550.5 secs Computing kpt #: 156 total cpu time spent up to now is 553.2 secs Computing kpt #: 157 total cpu time spent up to now is 556.2 secs Computing kpt #: 158 total cpu time spent up to now is 559.1 secs Computing kpt #: 159 total cpu time spent up to now is 562.1 secs Computing kpt #: 160 total cpu time spent up to now is 565.3 secs Computing kpt #: 161 total cpu time spent up to now is 568.4 secs Computing kpt #: 162 total cpu time spent up to now is 571.3 secs Computing kpt #: 163 total cpu time spent up to now is 574.4 secs Computing kpt #: 164 total cpu time spent up to now is 577.2 secs Computing kpt #: 165 total cpu time spent up to now is 579.9 secs Computing kpt #: 166 total cpu time spent up to now is 582.6 secs Computing kpt #: 167 total cpu time spent up to now is 585.4 secs Computing kpt #: 168 total cpu time spent up to now is 588.1 secs Computing kpt #: 169 total cpu time spent up to now is 590.7 secs Computing kpt #: 170 total cpu time spent up to now is 593.4 secs Computing kpt #: 171 total cpu time spent up to now is 596.1 secs Computing kpt #: 172 total cpu time spent up to now is 598.8 secs Computing kpt #: 173 total cpu time spent up to now is 601.9 secs Computing kpt #: 174 total cpu time spent up to now is 604.5 secs Computing kpt #: 175 total cpu time spent up to now is 607.1 secs Computing kpt #: 176 total cpu time spent up to now is 609.7 secs Computing kpt #: 177 total cpu time spent up to now is 612.2 secs Computing kpt #: 178 total cpu time spent up to now is 614.8 secs Computing kpt #: 179 total cpu time spent up to now is 617.4 secs Computing kpt #: 180 total cpu time spent up to now is 620.0 secs Computing kpt #: 181 total cpu time spent up to now is 622.6 secs Computing kpt #: 182 total cpu time spent up to now is 625.3 secs Computing kpt #: 183 total cpu time spent up to now is 627.9 secs Computing kpt #: 184 total cpu time spent up to now is 630.5 secs Computing kpt #: 185 total cpu time spent up to now is 633.1 secs Computing kpt #: 186 total cpu time spent up to now is 635.8 secs Computing kpt #: 187 total cpu time spent up to now is 638.5 secs Computing kpt #: 188 total cpu time spent up to now is 641.1 secs Computing kpt #: 189 total cpu time spent up to now is 643.9 secs Computing kpt #: 190 total cpu time spent up to now is 646.5 secs Computing kpt #: 191 total cpu time spent up to now is 649.6 secs Computing kpt #: 192 total cpu time spent up to now is 654.2 secs Computing kpt #: 193 total cpu time spent up to now is 657.4 secs Computing kpt #: 194 total cpu time spent up to now is 660.2 secs Computing kpt #: 195 total cpu time spent up to now is 663.0 secs Computing kpt #: 196 total cpu time spent up to now is 666.1 secs Computing kpt #: 197 total cpu time spent up to now is 669.3 secs Computing kpt #: 198 total cpu time spent up to now is 672.4 secs Computing kpt #: 199 total cpu time spent up to now is 675.6 secs Computing kpt #: 200 total cpu time spent up to now is 678.7 secs Computing kpt #: 201 total cpu time spent up to now is 682.2 secs Computing kpt #: 202 total cpu time spent up to now is 685.7 secs Computing kpt #: 203 total cpu time spent up to now is 689.1 secs Computing kpt #: 204 total cpu time spent up to now is 692.3 secs Computing kpt #: 205 total cpu time spent up to now is 695.4 secs Computing kpt #: 206 total cpu time spent up to now is 698.1 secs Computing kpt #: 207 total cpu time spent up to now is 701.0 secs Computing kpt #: 208 total cpu time spent up to now is 703.8 secs Computing kpt #: 209 total cpu time spent up to now is 706.5 secs Computing kpt #: 210 total cpu time spent up to now is 709.2 secs Computing kpt #: 211 total cpu time spent up to now is 711.8 secs Computing kpt #: 212 total cpu time spent up to now is 714.5 secs Computing kpt #: 213 total cpu time spent up to now is 717.2 secs Computing kpt #: 214 total cpu time spent up to now is 719.8 secs Computing kpt #: 215 total cpu time spent up to now is 722.5 secs Computing kpt #: 216 total cpu time spent up to now is 725.1 secs Computing kpt #: 217 total cpu time spent up to now is 727.8 secs Computing kpt #: 218 total cpu time spent up to now is 730.4 secs Computing kpt #: 219 total cpu time spent up to now is 733.1 secs Computing kpt #: 220 total cpu time spent up to now is 735.7 secs Computing kpt #: 221 total cpu time spent up to now is 738.4 secs Computing kpt #: 222 total cpu time spent up to now is 741.3 secs Computing kpt #: 223 total cpu time spent up to now is 744.0 secs Computing kpt #: 224 total cpu time spent up to now is 747.2 secs Computing kpt #: 225 total cpu time spent up to now is 750.3 secs Computing kpt #: 226 total cpu time spent up to now is 753.4 secs Computing kpt #: 227 total cpu time spent up to now is 756.8 secs Computing kpt #: 228 total cpu time spent up to now is 760.0 secs Computing kpt #: 229 total cpu time spent up to now is 763.2 secs Computing kpt #: 230 total cpu time spent up to now is 766.0 secs Computing kpt #: 231 total cpu time spent up to now is 769.7 secs Computing kpt #: 232 total cpu time spent up to now is 772.5 secs Computing kpt #: 233 total cpu time spent up to now is 776.3 secs Computing kpt #: 234 total cpu time spent up to now is 779.6 secs Computing kpt #: 235 total cpu time spent up to now is 782.9 secs Computing kpt #: 236 total cpu time spent up to now is 786.2 secs Computing kpt #: 237 total cpu time spent up to now is 789.4 secs Computing kpt #: 238 total cpu time spent up to now is 792.6 secs Computing kpt #: 239 total cpu time spent up to now is 795.5 secs Computing kpt #: 240 total cpu time spent up to now is 798.4 secs Computing kpt #: 241 total cpu time spent up to now is 801.2 secs Computing kpt #: 242 total cpu time spent up to now is 804.0 secs Computing kpt #: 243 total cpu time spent up to now is 806.7 secs Computing kpt #: 244 total cpu time spent up to now is 809.8 secs Computing kpt #: 245 total cpu time spent up to now is 812.7 secs Computing kpt #: 246 total cpu time spent up to now is 815.7 secs Computing kpt #: 247 total cpu time spent up to now is 818.6 secs Computing kpt #: 248 total cpu time spent up to now is 822.5 secs Computing kpt #: 249 total cpu time spent up to now is 825.1 secs Computing kpt #: 250 total cpu time spent up to now is 827.9 secs Computing kpt #: 251 total cpu time spent up to now is 830.9 secs Computing kpt #: 252 total cpu time spent up to now is 833.8 secs Computing kpt #: 253 total cpu time spent up to now is 836.5 secs Computing kpt #: 254 total cpu time spent up to now is 839.1 secs Computing kpt #: 255 total cpu time spent up to now is 841.8 secs Computing kpt #: 256 total cpu time spent up to now is 844.4 secs Computing kpt #: 257 total cpu time spent up to now is 846.9 secs Computing kpt #: 258 total cpu time spent up to now is 849.9 secs Computing kpt #: 259 total cpu time spent up to now is 852.4 secs Computing kpt #: 260 total cpu time spent up to now is 855.0 secs Computing kpt #: 261 total cpu time spent up to now is 857.5 secs Computing kpt #: 262 total cpu time spent up to now is 861.0 secs Computing kpt #: 263 total cpu time spent up to now is 863.7 secs Computing kpt #: 264 total cpu time spent up to now is 866.3 secs Computing kpt #: 265 total cpu time spent up to now is 869.0 secs Computing kpt #: 266 total cpu time spent up to now is 871.6 secs Computing kpt #: 267 total cpu time spent up to now is 874.3 secs Computing kpt #: 268 total cpu time spent up to now is 876.9 secs Computing kpt #: 269 total cpu time spent up to now is 879.6 secs Computing kpt #: 270 total cpu time spent up to now is 882.2 secs Computing kpt #: 271 total cpu time spent up to now is 885.0 secs Computing kpt #: 272 total cpu time spent up to now is 887.5 secs Computing kpt #: 273 total cpu time spent up to now is 890.3 secs Computing kpt #: 274 total cpu time spent up to now is 892.9 secs Computing kpt #: 275 total cpu time spent up to now is 895.5 secs Computing kpt #: 276 total cpu time spent up to now is 898.1 secs Computing kpt #: 277 total cpu time spent up to now is 900.7 secs Computing kpt #: 278 total cpu time spent up to now is 903.4 secs Computing kpt #: 279 total cpu time spent up to now is 905.9 secs ethr = 2.38E-11, avg # of iterations = 41.5 total cpu time spent up to now is 906.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -8.6929 -8.6929 -7.3722 -7.3722 -7.3710 -7.3710 -7.3651 -7.3651 -1.8571 -1.8571 -1.8203 -1.8203 -1.5715 -1.5715 -1.4979 -1.4979 -1.4712 -1.4712 -0.9594 -0.9594 -0.1844 -0.1844 0.9615 0.9615 1.1630 1.1630 1.4446 1.4446 1.4555 1.4555 1.8588 1.8588 2.6464 2.6464 2.7731 2.7731 4.0067 4.0067 4.3556 4.3556 4.4234 4.4234 6.5391 6.5391 7.1741 7.1741 7.8615 7.8615 9.3956 9.3960 k = 0.0000 0.0000 0.0215 ( 5871 PWs) bands (ev): -8.6921 -8.6921 -7.3732 -7.3730 -7.3718 -7.3718 -7.3646 -7.3645 -1.8583 -1.8557 -1.8206 -1.8200 -1.5736 -1.5692 -1.4994 -1.4965 -1.4723 -1.4701 -0.9598 -0.9586 -0.1873 -0.1814 0.9532 0.9663 1.1449 1.1743 1.4280 1.4492 1.4588 1.4752 1.8549 1.8690 2.6425 2.6492 2.7718 2.7725 4.0007 4.0072 4.3503 4.3544 4.4180 4.4187 6.5473 6.5494 7.1782 7.1786 7.8637 7.8684 9.3817 9.3931 k = 0.0000 0.0000 0.0430 ( 5855 PWs) bands (ev): -8.6898 -8.6898 -7.3757 -7.3755 -7.3737 -7.3736 -7.3636 -7.3635 -1.8595 -1.8542 -1.8209 -1.8196 -1.5754 -1.5666 -1.5010 -1.4953 -1.4733 -1.4690 -0.9598 -0.9573 -0.1902 -0.1785 0.9425 0.9677 1.1220 1.1761 1.4128 1.4559 1.4785 1.4972 1.8577 1.8841 2.6371 2.6511 2.7688 2.7707 3.9885 4.0025 4.3359 4.3454 4.4049 4.4071 6.5737 6.5775 7.1906 7.1915 7.8750 7.8845 9.3605 9.3868 k = 0.0000 0.0000 0.0645 ( 5851 PWs) bands (ev): -8.6859 -8.6859 -7.3795 -7.3793 -7.3764 -7.3763 -7.3626 -7.3625 -1.8604 -1.8528 -1.8210 -1.8193 -1.5769 -1.5640 -1.5027 -1.4944 -1.4742 -1.4681 -0.9593 -0.9556 -0.1931 -0.1759 0.9310 0.9667 1.0955 1.1663 1.4052 1.4709 1.5049 1.5192 1.8665 1.9022 2.6291 2.6511 2.7660 2.7697 3.9689 3.9920 4.3078 4.3249 4.3907 4.3953 6.6165 6.6215 7.2107 7.2124 7.8957 7.9100 9.3334 9.3737 k = 0.0000 0.0000 0.0860 ( 5859 PWs) bands (ev): -8.6805 -8.6804 -7.3843 -7.3841 -7.3802 -7.3800 -7.3618 -7.3617 -1.8612 -1.8514 -1.8211 -1.8190 -1.5780 -1.5612 -1.5044 -1.4938 -1.4749 -1.4672 -0.9583 -0.9536 -0.1965 -0.1741 0.9204 0.9647 1.0663 1.1453 1.4064 1.4910 1.5367 1.5424 1.8793 1.9214 2.6182 2.6482 2.7659 2.7717 3.9398 3.9742 4.2660 4.2927 4.3798 4.3867 6.6734 6.6785 7.2379 7.2404 7.9261 7.9453 9.3018 9.3531 k = 0.0000 0.0000 0.1075 ( 5855 PWs) bands (ev): -8.6735 -8.6735 -7.3901 -7.3899 -7.3849 -7.3847 -7.3612 -7.3610 -1.8618 -1.8501 -1.8210 -1.8187 -1.5787 -1.5583 -1.5061 -1.4937 -1.4753 -1.4664 -0.9570 -0.9514 -0.2007 -0.1737 0.9124 0.9632 1.0351 1.1160 1.4148 1.5121 1.5695 1.5724 1.8937 1.9395 2.6053 2.6423 2.7707 2.7780 3.8992 3.9470 4.2162 4.2543 4.3713 4.3800 6.7414 6.7457 7.2711 7.2748 7.9667 7.9908 9.2669 9.3261 k = 0.0000 0.0000 0.1290 ( 5864 PWs) bands (ev): -8.6650 -8.6650 -7.3969 -7.3967 -7.3905 -7.3903 -7.3607 -7.3605 -1.8622 -1.8491 -1.8207 -1.8185 -1.5790 -1.5555 -1.5076 -1.4940 -1.4753 -1.4657 -0.9553 -0.9489 -0.2061 -0.1753 0.9084 0.9632 1.0028 1.0824 1.4279 1.5310 1.6024 1.6109 1.9071 1.9548 2.5928 2.6348 2.7811 2.7886 3.8454 3.9074 4.1653 4.2152 4.3636 4.3740 6.8172 6.8197 7.3093 7.3146 8.0176 8.0468 9.2297 9.2943 k = 0.0000 0.0000 0.1506 ( 5858 PWs) bands (ev): -8.6550 -8.6550 -7.4046 -7.4044 -7.3970 -7.3968 -7.3605 -7.3602 -1.8625 -1.8482 -1.8202 -1.8183 -1.5788 -1.5527 -1.5090 -1.4947 -1.4750 -1.4651 -0.9534 -0.9464 -0.2131 -0.1794 0.9080 0.9636 0.9722 1.0495 1.4432 1.5462 1.6405 1.6509 1.9172 1.9661 2.5836 2.6288 2.7964 2.8030 3.7787 3.8534 4.1182 4.1783 4.3561 4.3679 6.8973 6.8982 7.3519 7.3591 8.0790 8.1134 9.1912 9.2590 k = 0.0000 0.0000 0.1721 ( 5860 PWs) bands (ev): -8.6435 -8.6435 -7.4133 -7.4131 -7.4043 -7.4040 -7.3604 -7.3601 -1.8625 -1.8476 -1.8196 -1.8181 -1.5781 -1.5500 -1.5102 -1.4957 -1.4743 -1.4645 -0.9514 -0.9439 -0.2223 -0.1866 0.9040 0.9505 0.9585 1.0277 1.4585 1.5570 1.6820 1.6915 1.9238 1.9732 2.5806 2.6269 2.8156 2.8206 3.7011 3.7859 4.0769 4.1440 4.3485 4.3616 6.9764 6.9806 7.3983 7.4076 8.1507 8.1904 9.1520 9.2215 k = 0.0000 0.0000 0.1936 ( 5866 PWs) bands (ev): -8.6306 -8.6305 -7.4228 -7.4226 -7.4124 -7.4121 -7.3606 -7.3602 -1.8624 -1.8473 -1.8192 -1.8176 -1.5769 -1.5475 -1.5112 -1.4968 -1.4735 -1.4639 -0.9493 -0.9416 -0.2337 -0.1970 0.8818 0.9344 0.9562 1.0297 1.4712 1.5615 1.7250 1.7319 1.9282 1.9776 2.5856 2.6309 2.8371 2.8406 3.6155 3.7086 4.0402 4.1114 4.3408 4.3549 7.0540 7.0623 7.4484 7.4598 8.2320 8.2772 9.1125 9.1825 k = 0.0000 0.0000 0.2151 ( 5858 PWs) bands (ev): -8.6162 -8.6162 -7.4332 -7.4330 -7.4211 -7.4208 -7.3609 -7.3605 -1.8622 -1.8473 -1.8189 -1.8168 -1.5753 -1.5451 -1.5119 -1.4980 -1.4724 -1.4633 -0.9474 -0.9394 -0.2476 -0.2108 0.8506 0.9005 0.9793 1.0497 1.4781 1.5567 1.7667 1.7730 1.9341 1.9826 2.5988 2.6412 2.8583 2.8633 3.5252 3.6262 4.0058 4.0793 4.3330 4.3480 7.1283 7.1407 7.5022 7.5153 8.3218 8.3724 9.0732 9.1428 k = 0.0000 0.0000 0.2366 ( 5856 PWs) bands (ev): -8.6004 -8.6004 -7.4444 -7.4441 -7.4305 -7.4302 -7.3616 -7.3611 -1.8619 -1.8474 -1.8190 -1.8157 -1.5732 -1.5431 -1.5122 -1.4992 -1.4712 -1.4628 -0.9456 -0.9377 -0.2640 -0.2280 0.8180 0.8641 1.0131 1.0806 1.4763 1.5401 1.8045 1.8161 1.9458 1.9922 2.6194 2.6570 2.8774 2.8869 3.4338 3.5435 3.9720 4.0467 4.3251 4.3408 7.1983 7.2142 7.5596 7.5734 8.4183 8.4741 9.0345 9.1032 k = 0.0000 0.0000 0.2581 ( 5852 PWs) bands (ev): -8.5833 -8.5832 -7.4563 -7.4560 -7.4404 -7.4401 -7.3626 -7.3620 -1.8614 -1.8478 -1.8191 -1.8145 -1.5707 -1.5413 -1.5123 -1.5002 -1.4700 -1.4623 -0.9443 -0.9364 -0.2828 -0.2481 0.7860 0.8280 1.0558 1.1198 1.4635 1.5108 1.8401 1.8591 1.9655 2.0098 2.6458 2.6765 2.8931 2.9082 3.3458 3.4653 3.9378 4.0131 4.3174 4.3335 7.2636 7.2820 7.6200 7.6334 8.5187 8.5789 8.9972 9.0650 k = 0.0000 0.0000 0.2796 ( 5850 PWs) bands (ev): -8.5648 -8.5648 -7.4687 -7.4684 -7.4509 -7.4505 -7.3639 -7.3632 -1.8609 -1.8482 -1.8193 -1.8133 -1.5679 -1.5398 -1.5121 -1.5010 -1.4688 -1.4618 -0.9435 -0.9356 -0.3036 -0.2709 0.7555 0.7934 1.1066 1.1661 1.4391 1.4706 1.8754 1.9009 1.9935 2.0366 2.6759 2.6967 2.9027 2.9222 3.2679 3.3966 3.9031 3.9780 4.3097 4.3262 7.3243 7.3440 7.6822 7.6943 8.6186 8.6803 8.9636 9.0316 k = 0.0000 0.0000 0.3011 ( 5854 PWs) bands (ev): -8.5451 -8.5450 -7.4817 -7.4813 -7.4618 -7.4614 -7.3656 -7.3649 -1.8603 -1.8488 -1.8196 -1.8121 -1.5648 -1.5385 -1.5116 -1.5015 -1.4675 -1.4612 -0.9433 -0.9355 -0.3263 -0.2959 0.7268 0.7606 1.1644 1.2178 1.4046 1.4235 1.9109 1.9409 2.0285 2.0715 2.7068 2.7133 2.9040 2.9222 3.2107 3.3428 3.8678 3.9416 4.3021 4.3188 7.3810 7.4011 7.7448 7.7549 8.7080 8.7627 8.9418 9.0140 k = 0.0000 0.0000 0.3226 ( 5862 PWs) bands (ev): -8.5241 -8.5241 -7.4951 -7.4947 -7.4730 -7.4726 -7.3678 -7.3670 -1.8598 -1.8495 -1.8199 -1.8110 -1.5615 -1.5375 -1.5111 -1.5017 -1.4663 -1.4607 -0.9439 -0.9361 -0.3505 -0.3226 0.6998 0.7300 1.2273 1.2684 1.3636 1.3791 1.9457 1.9786 2.0692 2.1128 2.7189 2.7334 2.8900 2.9140 3.1839 3.3072 3.8326 3.9042 4.2946 4.3113 7.4345 7.4543 7.8057 7.8145 8.7614 8.7961 8.9537 9.0383 k = 0.0000 0.0000 0.3441 ( 5858 PWs) bands (ev): -8.5019 -8.5019 -7.5089 -7.5085 -7.4845 -7.4841 -7.3705 -7.3697 -1.8592 -1.8502 -1.8202 -1.8099 -1.5582 -1.5367 -1.5105 -1.5014 -1.4650 -1.4600 -0.9454 -0.9375 -0.3758 -0.3505 0.6745 0.7018 1.2661 1.2927 1.3323 1.3796 1.9776 2.0130 2.1147 2.1588 2.7060 2.7411 2.8684 2.9170 3.1842 3.2885 3.7987 3.8662 4.2872 4.3039 7.4857 7.5045 7.8632 7.8724 8.7565 8.7802 9.0114 9.1071 k = 0.0000 0.0000 0.3656 ( 5858 PWs) bands (ev): -8.4786 -8.4786 -7.5229 -7.5225 -7.4963 -7.4958 -7.3737 -7.3729 -1.8586 -1.8508 -1.8204 -1.8090 -1.5549 -1.5359 -1.5098 -1.5008 -1.4639 -1.4594 -0.9478 -0.9397 -0.4021 -0.3793 0.6501 0.6760 1.2219 1.2640 1.3867 1.4388 2.0033 2.0421 2.1643 2.2080 2.6739 2.7142 2.8736 2.9320 3.1994 3.2817 3.7676 3.8287 4.2797 4.2964 7.5351 7.5527 7.9160 7.9278 8.7199 8.7393 9.0884 9.1886 k = 0.0000 0.0000 0.3871 ( 5858 PWs) bands (ev): -8.4543 -8.4542 -7.5371 -7.5367 -7.5081 -7.5077 -7.3776 -7.3768 -1.8581 -1.8515 -1.8207 -1.8081 -1.5518 -1.5352 -1.5089 -1.4999 -1.4627 -1.4587 -0.9510 -0.9426 -0.4289 -0.4086 0.6258 0.6525 1.1655 1.2186 1.4666 1.5128 2.0192 2.0629 2.2172 2.2585 2.6317 2.6731 2.8991 2.9554 3.2203 3.2803 3.7414 3.7927 4.2723 4.2889 7.5832 7.5995 7.9638 7.9793 8.6712 8.6856 9.1644 9.2658 k = 0.0000 0.0000 0.4087 ( 5858 PWs) bands (ev): -8.4289 -8.4288 -7.5514 -7.5509 -7.5201 -7.5196 -7.3822 -7.3813 -1.8576 -1.8522 -1.8209 -1.8074 -1.5491 -1.5345 -1.5077 -1.4989 -1.4617 -1.4579 -0.9550 -0.9463 -0.4561 -0.4379 0.6007 0.6308 1.1098 1.1748 1.5524 1.5929 2.0215 2.0711 2.2720 2.3077 2.5940 2.6399 2.9302 2.9829 3.2405 3.2799 3.7222 3.7598 4.2648 4.2814 7.6303 7.6452 8.0061 8.0257 8.6154 8.6242 9.2327 9.3331 k = 0.0000 0.0000 0.4302 ( 5862 PWs) bands (ev): -8.4025 -8.4024 -7.5657 -7.5652 -7.5320 -7.5315 -7.3875 -7.3866 -1.8572 -1.8528 -1.8211 -1.8068 -1.5467 -1.5339 -1.5062 -1.4978 -1.4607 -1.4571 -0.9598 -0.9506 -0.4833 -0.4671 0.5739 0.6096 1.0584 1.1357 1.6418 1.6766 2.0078 2.0619 2.3262 2.3524 2.5754 2.6229 2.9614 3.0117 3.2521 3.2818 3.7120 3.7320 4.2572 4.2738 7.6764 7.6901 8.0427 8.0663 8.5539 8.5574 9.2909 9.3810 k = 0.0000 0.0000 0.4517 ( 5866 PWs) bands (ev): -8.3753 -8.3752 -7.5799 -7.5794 -7.5438 -7.5434 -7.3937 -7.3927 -1.8568 -1.8533 -1.8213 -1.8064 -1.5449 -1.5332 -1.5042 -1.4968 -1.4599 -1.4563 -0.9650 -0.9554 -0.5104 -0.4959 0.5449 0.5870 1.0142 1.1032 1.7335 1.7618 1.9788 2.0337 2.3753 2.3924 2.5837 2.6255 2.9900 3.0399 3.2478 3.2905 3.7103 3.7124 4.2495 4.2662 7.7212 7.7341 8.0729 8.1001 8.4850 8.4891 9.3369 9.3875 k = 0.0000 0.0000 0.4732 ( 5876 PWs) bands (ev): -8.3473 -8.3472 -7.5939 -7.5934 -7.5555 -7.5551 -7.4006 -7.3996 -1.8565 -1.8538 -1.8214 -1.8061 -1.5436 -1.5326 -1.5020 -1.4959 -1.4591 -1.4554 -0.9707 -0.9607 -0.5373 -0.5239 0.5132 0.5611 0.9793 1.0784 1.8234 1.8413 1.9432 1.9918 2.4131 2.4335 2.6157 2.6463 3.0141 3.0665 3.2354 3.2998 3.6990 3.7198 4.2417 4.2585 7.7642 7.7769 8.0961 8.1257 8.4110 8.4203 9.3657 9.4026 k = 0.0000 0.0000 0.4947 ( 5880 PWs) bands (ev): -8.3186 -8.3185 -7.6078 -7.6073 -7.5670 -7.5666 -7.4084 -7.4074 -1.8563 -1.8542 -1.8216 -1.8060 -1.5426 -1.5320 -1.4998 -1.4949 -1.4585 -1.4546 -0.9765 -0.9663 -0.5636 -0.5510 0.4787 0.5305 0.9555 1.0623 1.8546 1.8840 1.9626 1.9702 2.4449 2.4745 2.6613 2.6804 3.0313 3.0907 3.2243 3.3065 3.6960 3.7353 4.2338 4.2509 7.8040 7.8176 8.1107 8.1404 8.3367 8.3524 9.3776 9.4243 k = 0.0000 0.0000 0.5162 ( 5876 PWs) bands (ev): -8.2892 -8.2891 -7.6213 -7.6208 -7.5782 -7.5778 -7.4171 -7.4161 -1.8561 -1.8545 -1.8217 -1.8060 -1.5421 -1.5314 -1.4979 -1.4936 -1.4579 -1.4537 -0.9824 -0.9720 -0.5893 -0.5770 0.4414 0.4949 0.9432 1.0549 1.8026 1.8461 2.0378 2.0418 2.4766 2.5130 2.7076 2.7246 3.0401 3.1133 3.2214 3.3118 3.7014 3.7559 4.2258 4.2432 7.8382 7.8543 8.1126 8.1377 8.2683 8.2943 9.3815 9.4393 k = 0.0000 0.0000 0.5377 ( 5868 PWs) bands (ev): -8.2593 -8.2592 -7.6345 -7.6339 -7.5891 -7.5886 -7.4268 -7.4258 -1.8559 -1.8548 -1.8218 -1.8062 -1.5418 -1.5309 -1.4968 -1.4918 -1.4574 -1.4528 -0.9880 -0.9776 -0.6140 -0.6018 0.4019 0.4548 0.9419 1.0561 1.7405 1.7834 2.1193 2.1291 2.5097 2.5506 2.7437 2.7754 3.0437 3.1367 3.2295 3.3184 3.7133 3.7799 4.2176 4.2357 7.8617 7.8825 8.0906 8.1091 8.2199 8.2614 9.3809 9.4442 k = 0.0000 0.0000 0.5592 ( 5880 PWs) bands (ev): -8.2290 -8.2288 -7.6472 -7.6467 -7.5996 -7.5991 -7.4373 -7.4363 -1.8558 -1.8549 -1.8220 -1.8066 -1.5417 -1.5304 -1.4964 -1.4895 -1.4570 -1.4519 -0.9932 -0.9831 -0.6376 -0.6251 0.3609 0.4115 0.9500 1.0652 1.6763 1.7183 2.1910 2.2142 2.5444 2.5903 2.7699 2.8215 3.0519 3.1624 3.2476 3.3289 3.7297 3.8058 4.2094 4.2282 7.8629 7.8918 8.0493 8.0617 8.2033 8.2532 9.3776 9.4402 k = 0.0000 0.0000 0.5807 ( 5864 PWs) bands (ev): -8.1983 -8.1982 -7.6596 -7.6590 -7.6096 -7.6092 -7.4488 -7.4478 -1.8557 -1.8549 -1.8222 -1.8072 -1.5418 -1.5300 -1.4964 -1.4874 -1.4567 -1.4511 -0.9979 -0.9882 -0.6598 -0.6469 0.3192 0.3665 0.9660 1.0814 1.6128 1.6546 2.2478 2.2868 2.5814 2.6361 2.7887 2.8564 3.0744 3.1889 3.2739 3.3459 3.7488 3.8325 4.2011 4.2209 7.8263 7.8634 8.0195 8.0220 8.2079 8.2585 9.3730 9.4316 k = 0.0000 0.0000 0.6022 ( 5866 PWs) bands (ev): -8.1675 -8.1673 -7.6714 -7.6709 -7.6191 -7.6187 -7.4612 -7.4602 -1.8556 -1.8548 -1.8225 -1.8079 -1.5419 -1.5298 -1.4966 -1.4855 -1.4564 -1.4503 -1.0020 -0.9928 -0.6805 -0.6670 0.2776 0.3211 0.9882 1.1038 1.5513 1.5942 2.2846 2.3364 2.6235 2.6906 2.8060 2.8830 3.1115 3.2126 3.3063 3.3731 3.7689 3.8594 4.1927 4.2138 7.7560 7.7965 7.9988 8.0034 8.2260 8.2734 9.3681 9.4214 k = 0.0000 0.0000 0.6237 ( 5876 PWs) bands (ev): -8.1365 -8.1363 -7.6828 -7.6822 -7.6281 -7.6277 -7.4744 -7.4734 -1.8556 -1.8546 -1.8229 -1.8088 -1.5422 -1.5297 -1.4970 -1.4840 -1.4561 -1.4496 -1.0054 -0.9970 -0.6994 -0.6854 0.2367 0.2762 1.0152 1.1316 1.4929 1.5386 2.2994 2.3549 2.6732 2.7497 2.8313 2.9112 3.1542 3.2316 3.3412 3.4145 3.7891 3.8857 4.1842 4.2069 7.6694 7.7108 7.9773 7.9854 8.2546 8.2968 9.3631 9.4107 k = 0.0000 0.0000 0.6452 ( 5858 PWs) bands (ev): -8.1056 -8.1053 -7.6937 -7.6931 -7.6365 -7.6361 -7.4883 -7.4874 -1.8555 -1.8544 -1.8232 -1.8098 -1.5423 -1.5298 -1.4973 -1.4829 -1.4557 -1.4490 -1.0082 -1.0006 -0.7165 -0.7021 0.1973 0.2327 1.0451 1.1636 1.4386 1.4890 2.2938 2.3440 2.7265 2.7994 2.8773 2.9503 3.1926 3.2467 3.3792 3.4681 3.8085 3.9109 4.1757 4.2004 7.5768 7.6182 7.9499 7.9598 8.2904 8.3274 9.3582 9.4000 k = 0.0000 0.0000 0.6668 ( 5850 PWs) bands (ev): -8.0749 -8.0746 -7.7041 -7.7035 -7.6443 -7.6439 -7.5028 -7.5019 -1.8554 -1.8541 -1.8236 -1.8110 -1.5425 -1.5301 -1.4976 -1.4824 -1.4553 -1.4484 -1.0104 -1.0037 -0.7315 -0.7169 0.1599 0.1913 1.0760 1.1985 1.3897 1.4474 2.2716 2.3123 2.7758 2.8339 2.9447 3.0046 3.2199 3.2600 3.4236 3.5283 3.8265 3.9347 4.1673 4.1941 7.4831 7.5237 7.9165 7.9271 8.3304 8.3627 9.3532 9.3895 k = 0.0000 0.0000 0.6883 ( 5852 PWs) bands (ev): -8.0445 -8.0442 -7.7142 -7.7135 -7.6515 -7.6511 -7.5177 -7.5169 -1.8552 -1.8537 -1.8241 -1.8123 -1.5426 -1.5307 -1.4977 -1.4824 -1.4547 -1.4480 -1.0120 -1.0062 -0.7444 -0.7298 0.1249 0.1524 1.1051 1.2327 1.3493 1.4160 2.2369 2.2677 2.8183 2.8623 3.0185 3.0715 3.2353 3.2733 3.4741 3.5904 3.8425 3.9565 4.1592 4.1881 7.3911 7.4303 7.8789 7.8894 8.3723 8.4005 9.3478 9.3790 k = 0.0000 0.0000 0.7098 ( 5856 PWs) bands (ev): -8.0147 -8.0144 -7.7239 -7.7233 -7.6580 -7.6576 -7.5328 -7.5320 -1.8550 -1.8534 -1.8245 -1.8138 -1.5427 -1.5314 -1.4977 -1.4829 -1.4540 -1.4478 -1.0133 -1.0083 -0.7551 -0.7409 0.0929 0.1167 1.1284 1.2518 1.3316 1.3986 2.1933 2.2156 2.8551 2.8889 3.0882 3.1447 3.2419 3.2882 3.5275 3.6515 3.8562 3.9756 4.1516 4.1824 7.3034 7.3404 7.8393 7.8490 8.4142 8.4389 9.3419 9.3685 k = 0.0000 0.0000 0.7313 ( 5856 PWs) bands (ev): -7.9858 -7.9854 -7.7336 -7.7329 -7.6638 -7.6634 -7.5476 -7.5469 -1.8547 -1.8531 -1.8248 -1.8153 -1.5426 -1.5324 -1.4975 -1.4837 -1.4533 -1.4476 -1.0142 -1.0100 -0.7637 -0.7503 0.0642 0.0844 1.1422 1.2373 1.3541 1.3986 2.1436 2.1599 2.8876 2.9143 3.1459 3.2179 3.2431 3.3086 3.5806 3.7092 3.8676 3.9914 4.1450 4.1769 7.2220 7.2560 7.7997 7.8085 8.4547 8.4762 9.3356 9.3579 k = 0.0000 0.0000 0.7528 ( 5852 PWs) bands (ev): -7.9579 -7.9575 -7.7432 -7.7425 -7.6689 -7.6686 -7.5617 -7.5611 -1.8544 -1.8528 -1.8251 -1.8168 -1.5424 -1.5335 -1.4971 -1.4848 -1.4525 -1.4475 -1.0149 -1.0113 -0.7702 -0.7581 0.0394 0.0561 1.1458 1.2112 1.3939 1.4163 2.0903 2.1034 2.9168 2.9382 3.1839 3.2408 3.2871 3.3396 3.6313 3.7610 3.8770 4.0028 4.1400 4.1715 7.1490 7.1792 7.7623 7.7698 8.4927 8.5109 9.3289 9.3473 k = 0.0000 0.0000 0.7743 ( 5848 PWs) bands (ev): -7.9316 -7.9312 -7.7531 -7.7524 -7.6733 -7.6729 -7.5746 -7.5741 -1.8540 -1.8526 -1.8252 -1.8183 -1.5421 -1.5346 -1.4964 -1.4861 -1.4517 -1.4476 -1.0154 -1.0124 -0.7748 -0.7645 0.0187 0.0320 1.1425 1.1863 1.4355 1.4486 2.0359 2.0482 2.9427 2.9597 3.2025 3.2363 3.3484 3.3790 3.6780 3.8033 3.8866 4.0088 4.1372 4.1662 7.0866 7.1121 7.7290 7.7351 8.5267 8.5417 9.3223 9.3371 k = 0.0000 0.0000 0.7958 ( 5850 PWs) bands (ev): -7.9076 -7.9071 -7.7633 -7.7626 -7.6768 -7.6765 -7.5855 -7.5851 -1.8536 -1.8525 -1.8251 -1.8198 -1.5416 -1.5359 -1.4956 -1.4876 -1.4509 -1.4478 -1.0157 -1.0133 -0.7777 -0.7695 0.0026 0.0125 1.1367 1.1655 1.4754 1.4881 1.9841 1.9962 2.9648 2.9779 3.2096 3.2305 3.3995 3.4182 3.7199 3.8294 3.9017 4.0087 4.1369 4.1610 7.0365 7.0565 7.7013 7.7059 8.5555 8.5671 9.3164 9.3276 k = 0.0000 0.0000 0.8173 ( 5858 PWs) bands (ev): -7.8868 -7.8865 -7.7734 -7.7728 -7.6794 -7.6792 -7.5939 -7.5936 -1.8533 -1.8525 -1.8248 -1.8212 -1.5410 -1.5371 -1.4945 -1.4891 -1.4502 -1.4481 -1.0157 -1.0141 -0.7791 -0.7735 -0.0087 -0.0021 1.1318 1.1493 1.5128 1.5248 1.9398 1.9505 2.9825 2.9915 3.2117 3.2244 3.4383 3.4495 3.7564 3.8356 3.9251 4.0024 4.1388 4.1559 7.0005 7.0143 7.6808 7.6838 8.5778 8.5858 9.3120 9.3196 k = 0.0000 0.0000 0.8388 ( 5858 PWs) bands (ev): -7.8716 -7.8714 -7.7817 -7.7814 -7.6811 -7.6809 -7.5991 -7.5990 -1.8530 -1.8525 -1.8242 -1.8224 -1.5402 -1.5382 -1.4933 -1.4906 -1.4496 -1.4485 -1.0156 -1.0148 -0.7793 -0.7764 -0.0149 -0.0116 1.1297 1.1381 1.5427 1.5503 1.9095 1.9162 2.9947 2.9994 3.2128 3.2189 3.4633 3.4686 3.7869 3.8279 3.9504 3.9903 4.1422 4.1510 6.9799 6.9869 7.6683 7.6698 8.5926 8.5967 9.3098 9.3136 k = 0.0000 0.0000 0.8603 ( 5860 PWs) bands (ev): -7.8656 -7.8656 -7.7851 -7.7851 -7.6816 -7.6816 -7.6008 -7.6008 -1.8527 -1.8527 -1.8234 -1.8234 -1.5393 -1.5393 -1.4920 -1.4920 -1.4490 -1.4490 -1.0153 -1.0153 -0.7783 -0.7783 -0.0159 -0.0159 1.1316 1.1316 1.5570 1.5570 1.9008 1.9008 3.0005 3.0005 3.2149 3.2149 3.4735 3.4735 3.8110 3.8110 3.9727 3.9727 4.1464 4.1464 6.9753 6.9753 7.6646 7.6646 8.5990 8.5990 9.3102 9.3102 k = 0.0000 0.0000 0.8603 ( 5860 PWs) bands (ev): -7.8656 -7.8656 -7.7851 -7.7851 -7.6816 -7.6816 -7.6008 -7.6008 -1.8527 -1.8527 -1.8234 -1.8234 -1.5393 -1.5393 -1.4920 -1.4920 -1.4490 -1.4490 -1.0153 -1.0153 -0.7783 -0.7783 -0.0159 -0.0159 1.1316 1.1316 1.5570 1.5570 1.9008 1.9008 3.0005 3.0005 3.2149 3.2149 3.4735 3.4735 3.8110 3.8110 3.9727 3.9727 4.1464 4.1464 6.9753 6.9753 7.6646 7.6646 8.5990 8.5990 9.3102 9.3102 k =-0.0116 0.0162 0.8603 ( 5860 PWs) bands (ev): -7.8655 -7.8655 -7.7854 -7.7853 -7.6816 -7.6816 -7.6010 -7.6009 -1.8536 -1.8520 -1.8257 -1.8215 -1.5423 -1.5369 -1.4942 -1.4904 -1.4500 -1.4484 -1.0139 -1.0106 -0.7768 -0.7766 -0.0167 -0.0151 1.1317 1.1324 1.5564 1.5585 1.9002 1.9022 2.9979 2.9996 3.2100 3.2138 3.4724 3.4732 3.8052 3.8145 3.9662 3.9756 4.1433 4.1455 6.9762 6.9803 7.6669 7.6676 8.6009 8.6089 9.3114 9.3142 k =-0.0232 0.0325 0.8603 ( 5860 PWs) bands (ev): -7.8652 -7.8652 -7.7861 -7.7860 -7.6817 -7.6816 -7.6014 -7.6013 -1.8546 -1.8515 -1.8285 -1.8201 -1.5460 -1.5352 -1.4970 -1.4894 -1.4512 -1.4481 -1.0064 -1.0001 -0.7721 -0.7716 -0.0175 -0.0143 1.1326 1.1339 1.5567 1.5610 1.9003 1.9044 2.9916 2.9950 3.1990 3.2067 3.4701 3.4715 3.7971 3.8155 3.9561 3.9749 4.1364 4.1407 6.9829 6.9911 7.6744 7.6760 8.6143 8.6303 9.3175 9.3231 k =-0.0348 0.0487 0.8603 ( 5870 PWs) bands (ev): -7.8648 -7.8647 -7.7873 -7.7872 -7.6818 -7.6816 -7.6019 -7.6018 -1.8559 -1.8513 -1.8317 -1.8192 -1.5503 -1.5343 -1.5000 -1.4890 -1.4525 -1.4484 -0.9930 -0.9839 -0.7643 -0.7636 -0.0183 -0.0134 1.1343 1.1363 1.5579 1.5643 1.9011 1.9074 2.9817 2.9868 3.1821 3.1937 3.4664 3.4685 3.7867 3.8140 3.9430 3.9708 4.1258 4.1321 6.9955 7.0075 7.6872 7.6894 8.6384 8.6625 9.3279 9.3365 k =-0.0464 0.0649 0.8603 ( 5878 PWs) bands (ev): -7.8642 -7.8641 -7.7892 -7.7891 -7.6817 -7.6815 -7.6027 -7.6025 -1.8572 -1.8513 -1.8351 -1.8186 -1.5551 -1.5342 -1.5030 -1.4891 -1.4538 -1.4491 -0.9741 -0.9625 -0.7533 -0.7524 -0.0192 -0.0126 1.1367 1.1394 1.5599 1.5685 1.9027 1.9111 2.9682 2.9752 3.1595 3.1752 3.4615 3.4642 3.7743 3.8100 3.9274 3.9636 4.1117 4.1198 7.0135 7.0295 7.7048 7.7077 8.6720 8.7045 9.3415 9.3532 k =-0.0580 0.0812 0.8603 ( 5882 PWs) bands (ev): -7.8636 -7.8635 -7.7917 -7.7916 -7.6813 -7.6811 -7.6035 -7.6032 -1.8587 -1.8517 -1.8387 -1.8183 -1.5604 -1.5352 -1.5057 -1.4894 -1.4550 -1.4501 -0.9501 -0.9363 -0.7393 -0.7383 -0.0200 -0.0119 1.1400 1.1435 1.5628 1.5736 1.9049 1.9156 2.9511 2.9601 3.1317 3.1516 3.4554 3.4587 3.7598 3.8034 3.9097 3.9539 4.0943 4.1041 7.0370 7.0566 7.7270 7.7306 8.7135 8.7546 9.3567 9.3717 k =-0.0696 0.0974 0.8603 ( 5872 PWs) bands (ev): -7.8631 -7.8630 -7.7951 -7.7950 -7.6804 -7.6801 -7.6043 -7.6040 -1.8605 -1.8525 -1.8423 -1.8183 -1.5660 -1.5371 -1.5078 -1.4897 -1.4561 -1.4514 -0.9213 -0.9058 -0.7225 -0.7213 -0.0210 -0.0112 1.1441 1.1483 1.5665 1.5797 1.9078 1.9207 2.9303 2.9417 3.0991 3.1234 3.4482 3.4522 3.7436 3.7941 3.8908 3.9421 4.0740 4.0855 7.0654 7.0885 7.7533 7.7576 8.7602 8.8102 9.3709 9.3897 k =-0.0811 0.1136 0.8603 ( 5876 PWs) bands (ev): -7.8628 -7.8627 -7.7994 -7.7993 -7.6789 -7.6786 -7.6049 -7.6046 -1.8626 -1.8538 -1.8456 -1.8184 -1.5719 -1.5399 -1.5095 -1.4899 -1.4572 -1.4528 -0.8883 -0.8716 -0.7031 -0.7016 -0.0220 -0.0107 1.1489 1.1540 1.5710 1.5866 1.9112 1.9266 2.9056 2.9201 3.0627 3.0914 3.4400 3.4446 3.7257 3.7824 3.8709 3.9286 4.0509 4.0644 7.0986 7.1249 7.7833 7.7883 8.8091 8.8682 9.3799 9.4032 k =-0.0927 0.1298 0.8603 ( 5872 PWs) bands (ev): -7.8629 -7.8628 -7.8046 -7.8044 -7.6767 -7.6764 -7.6053 -7.6050 -1.8651 -1.8555 -1.8483 -1.8187 -1.5778 -1.5434 -1.5107 -1.4900 -1.4584 -1.4543 -0.8516 -0.8339 -0.6812 -0.6794 -0.0231 -0.0102 1.1546 1.1606 1.5762 1.5943 1.9152 1.9330 2.8769 2.8954 3.0235 3.0567 3.4308 3.4360 3.7065 3.7685 3.8504 3.9140 4.0256 4.0414 7.1361 7.1654 7.8163 7.8221 8.8561 8.9238 9.3778 9.4069 k =-0.1043 0.1461 0.8603 ( 5864 PWs) bands (ev): -7.8637 -7.8636 -7.8106 -7.8104 -7.6737 -7.6733 -7.6053 -7.6049 -1.8681 -1.8575 -1.8506 -1.8190 -1.5837 -1.5472 -1.5116 -1.4899 -1.4597 -1.4558 -0.8115 -0.7934 -0.6573 -0.6549 -0.0242 -0.0099 1.1610 1.1681 1.5821 1.6030 1.9197 1.9401 2.8438 2.8674 2.9827 3.0204 3.4207 3.4265 3.6862 3.7527 3.8293 3.8983 3.9984 4.0172 7.1774 7.2095 7.8516 7.8584 8.8962 8.9716 9.3576 9.3939 k =-0.1159 0.1623 0.8603 ( 5860 PWs) bands (ev): -7.8653 -7.8652 -7.8173 -7.8171 -7.6698 -7.6695 -7.6047 -7.6043 -1.8715 -1.8596 -1.8525 -1.8193 -1.5895 -1.5511 -1.5123 -1.4897 -1.4612 -1.4572 -0.7686 -0.7504 -0.6314 -0.6283 -0.0254 -0.0098 1.1683 1.1765 1.5887 1.6124 1.9245 1.9476 2.8062 2.8360 2.9417 2.9837 3.4098 3.4162 3.6653 3.7356 3.8074 3.8817 3.9698 3.9924 7.2222 7.2568 7.8886 7.8966 8.9242 9.0050 9.3156 9.3594 k =-0.1275 0.1785 0.8603 ( 5870 PWs) bands (ev): -7.8682 -7.8680 -7.8245 -7.8243 -7.6651 -7.6647 -7.6035 -7.6030 -1.8752 -1.8616 -1.8543 -1.8197 -1.5950 -1.5551 -1.5128 -1.4893 -1.4630 -1.4584 -0.7234 -0.7056 -0.6041 -0.5998 -0.0264 -0.0097 1.1765 1.1859 1.5959 1.6226 1.9297 1.9557 2.7643 2.8009 2.9019 2.9478 3.3980 3.4050 3.6441 3.7176 3.7845 3.8641 3.9405 3.9676 7.2701 7.3068 7.9265 7.9360 8.9358 9.0183 9.2549 9.3048 k =-0.1275 0.1785 0.8603 ( 5870 PWs) bands (ev): -7.8682 -7.8680 -7.8245 -7.8243 -7.6651 -7.6647 -7.6035 -7.6030 -1.8752 -1.8616 -1.8543 -1.8197 -1.5950 -1.5551 -1.5128 -1.4893 -1.4630 -1.4584 -0.7234 -0.7056 -0.6041 -0.5998 -0.0264 -0.0097 1.1765 1.1859 1.5959 1.6226 1.9297 1.9557 2.7643 2.8009 2.9019 2.9478 3.3980 3.4050 3.6441 3.7176 3.7845 3.8641 3.9405 3.9676 7.2701 7.3068 7.9265 7.9360 8.9358 9.0183 9.2549 9.3048 k =-0.1360 0.1904 0.8458 ( 5858 PWs) bands (ev): -7.8681 -7.8679 -7.8368 -7.8365 -7.6517 -7.6514 -7.6076 -7.6073 -1.8777 -1.8622 -1.8556 -1.8206 -1.5979 -1.5593 -1.5122 -1.4891 -1.4643 -1.4599 -0.6927 -0.6765 -0.5762 -0.5709 -0.0289 -0.0125 1.1866 1.1925 1.5949 1.6283 1.9394 1.9649 2.7172 2.7589 2.8930 2.9402 3.3721 3.3783 3.6501 3.7107 3.7825 3.8493 3.9076 3.9361 7.3084 7.3467 7.9572 7.9659 8.9295 9.0075 9.1922 9.2488 k =-0.1444 0.2023 0.8312 ( 5856 PWs) bands (ev): -7.8698 -7.8695 -7.8486 -7.8483 -7.6425 -7.6424 -7.6063 -7.6061 -1.8802 -1.8633 -1.8561 -1.8216 -1.6004 -1.5634 -1.5115 -1.4890 -1.4655 -1.4615 -0.6644 -0.6501 -0.5445 -0.5374 -0.0286 -0.0128 1.1979 1.2021 1.5867 1.6253 1.9579 1.9823 2.6697 2.7155 2.8840 2.9320 3.3361 3.3400 3.6548 3.7063 3.7777 3.8365 3.8736 3.9055 7.3536 7.3937 7.9908 7.9987 8.9107 8.9792 9.1244 9.1872 k =-0.1529 0.2141 0.8166 ( 5854 PWs) bands (ev): -7.8732 -7.8728 -7.8596 -7.8591 -7.6416 -7.6413 -7.5961 -7.5957 -1.8828 -1.8648 -1.8560 -1.8226 -1.6025 -1.5673 -1.5107 -1.4888 -1.4668 -1.4631 -0.6395 -0.6261 -0.5091 -0.4996 -0.0252 -0.0104 1.2092 1.2155 1.5734 1.6157 1.9827 2.0049 2.6230 2.6721 2.8745 2.9229 3.2917 3.2927 3.6555 3.7007 3.7674 3.8270 3.8413 3.8793 7.4049 7.4472 8.0265 8.0335 8.8793 8.9333 9.0562 9.1254 k =-0.1614 0.2260 0.8021 ( 5852 PWs) bands (ev): -7.8792 -7.8787 -7.8683 -7.8676 -7.6457 -7.6453 -7.5804 -7.5798 -1.8853 -1.8665 -1.8555 -1.8236 -1.6041 -1.5711 -1.5099 -1.4888 -1.4680 -1.4647 -0.6186 -0.6040 -0.4701 -0.4583 -0.0184 -0.0051 1.2210 1.2317 1.5572 1.6018 2.0107 2.0297 2.5786 2.6298 2.8642 2.9128 3.2377 3.2417 3.6491 3.6870 3.7522 3.8068 3.8295 3.8610 7.4619 7.5064 8.0631 8.0694 8.8351 8.8721 8.9917 9.0668 k =-0.1698 0.2378 0.7875 ( 5848 PWs) bands (ev): -7.8882 -7.8877 -7.8740 -7.8733 -7.6515 -7.6511 -7.5627 -7.5620 -1.8877 -1.8682 -1.8547 -1.8246 -1.6053 -1.5746 -1.5090 -1.4889 -1.4692 -1.4661 -0.6013 -0.5837 -0.4283 -0.4144 -0.0080 0.0034 1.2337 1.2500 1.5396 1.5855 2.0390 2.0536 2.5383 2.5897 2.8530 2.9014 3.1783 3.1867 3.6320 3.6582 3.7381 3.7837 3.8332 3.8515 7.5237 7.5705 8.0993 8.1050 8.7781 8.8007 8.9330 9.0118 k =-0.1783 0.2497 0.7729 ( 5842 PWs) bands (ev): -7.8983 -7.8979 -7.8784 -7.8777 -7.6579 -7.6574 -7.5444 -7.5436 -1.8900 -1.8700 -1.8537 -1.8256 -1.6061 -1.5780 -1.5081 -1.4891 -1.4703 -1.4675 -0.5870 -0.5654 -0.3842 -0.3686 0.0059 0.0151 1.2466 1.2699 1.5218 1.5684 2.0647 2.0734 2.5043 2.5534 2.8405 2.8886 3.1157 3.1290 3.6020 3.6163 3.7267 3.7690 3.8407 3.8495 7.5895 7.6385 8.1331 8.1389 8.7113 8.7251 8.8801 8.9594 k =-0.1868 0.2615 0.7584 ( 5842 PWs) bands (ev): -7.9085 -7.9082 -7.8824 -7.8818 -7.6644 -7.6640 -7.5261 -7.5253 -1.8922 -1.8717 -1.8527 -1.8267 -1.6066 -1.5812 -1.5072 -1.4895 -1.4714 -1.4687 -0.5752 -0.5491 -0.3386 -0.3216 0.0235 0.0302 1.2593 1.2915 1.5045 1.5518 2.0846 2.0867 2.4795 2.5224 2.8258 2.8739 3.0519 3.0709 3.5612 3.5668 3.7175 3.7601 3.8483 3.8548 7.6585 7.7095 8.1625 8.1692 8.6398 8.6495 8.8319 8.9094 k =-0.1952 0.2734 0.7438 ( 5842 PWs) bands (ev): -7.9185 -7.9182 -7.8861 -7.8856 -7.6709 -7.6705 -7.5083 -7.5074 -1.8943 -1.8733 -1.8516 -1.8277 -1.6068 -1.5840 -1.5064 -1.4900 -1.4725 -1.4697 -0.5655 -0.5350 -0.2922 -0.2740 0.0446 0.0485 1.2708 1.3144 1.4880 1.5370 2.0881 2.0988 2.4662 2.4984 2.8072 2.8560 2.9893 3.0151 3.5123 3.5144 3.7102 3.7535 3.8557 3.8654 7.7295 7.7821 8.1848 8.1929 8.5695 8.5772 8.7875 8.8626 k =-0.2037 0.2852 0.7292 ( 5841 PWs) bands (ev): -7.9280 -7.9277 -7.8897 -7.8891 -7.6773 -7.6769 -7.4910 -7.4901 -1.8963 -1.8749 -1.8505 -1.8286 -1.6068 -1.5865 -1.5057 -1.4908 -1.4734 -1.4704 -0.5577 -0.5228 -0.2454 -0.2263 0.0689 0.0699 1.2804 1.3385 1.4724 1.5254 2.0794 2.1025 2.4651 2.4826 2.7813 2.8319 2.9328 2.9654 3.4563 3.4631 3.7042 3.7476 3.8644 3.8775 7.8013 7.8547 8.1969 8.2061 8.5043 8.5128 8.7474 8.8202 k =-0.2122 0.2971 0.7147 ( 5845 PWs) bands (ev): -7.9370 -7.9368 -7.8931 -7.8925 -7.6835 -7.6831 -7.4745 -7.4736 -1.8980 -1.8764 -1.8496 -1.8294 -1.6067 -1.5884 -1.5052 -1.4918 -1.4742 -1.4710 -0.5516 -0.5125 -0.1990 -0.1792 0.0941 0.0962 1.2871 1.3637 1.4573 1.5183 2.0609 2.0967 2.4715 2.4780 2.7446 2.7951 2.8908 2.9254 3.3990 3.4109 3.6990 3.7422 3.8740 3.8900 7.8720 7.9242 8.1956 8.2057 8.4470 8.4616 8.7127 8.7843 k =-0.2206 0.3089 0.7001 ( 5849 PWs) bands (ev): -7.9456 -7.9453 -7.8961 -7.8956 -7.6894 -7.6891 -7.4588 -7.4579 -1.8997 -1.8779 -1.8490 -1.8300 -1.6069 -1.5896 -1.5050 -1.4928 -1.4748 -1.4714 -0.5468 -0.5040 -0.1533 -0.1330 0.1208 0.1259 1.2906 1.3898 1.4423 1.5169 2.0355 2.0826 2.4714 2.4936 2.6969 2.7437 2.8667 2.8953 3.3417 3.3594 3.6946 3.7372 3.8841 3.9025 7.9382 7.9845 8.1809 8.1945 8.4004 8.4242 8.6853 8.7563 k =-0.2291 0.3208 0.6855 ( 5841 PWs) bands (ev): -7.9535 -7.9533 -7.8989 -7.8983 -7.6952 -7.6948 -7.4442 -7.4432 -1.9011 -1.8792 -1.8486 -1.8302 -1.6075 -1.5899 -1.5052 -1.4938 -1.4752 -1.4716 -0.5432 -0.4970 -0.1091 -0.0885 0.1493 0.1575 1.2907 1.4165 1.4275 1.5212 2.0062 2.0623 2.4732 2.5150 2.6419 2.6851 2.8539 2.8727 3.2857 3.3098 3.6908 3.7325 3.8941 3.9148 7.9910 8.0204 8.1619 8.1903 8.3642 8.3959 8.6666 8.7370 k =-0.2376 0.3326 0.6710 ( 5843 PWs) bands (ev): -7.9608 -7.9606 -7.9013 -7.9007 -7.7006 -7.7002 -7.4306 -7.4297 -1.9024 -1.8805 -1.8486 -1.8302 -1.6086 -1.5894 -1.5059 -1.4946 -1.4755 -1.4715 -0.5405 -0.4913 -0.0669 -0.0461 0.1792 0.1903 1.2883 1.4127 1.4442 1.5305 1.9755 2.0383 2.4755 2.5373 2.5848 2.6247 2.8464 2.8552 3.2321 3.2635 3.6875 3.7284 3.9037 3.9265 8.0087 8.0163 8.1641 8.2135 8.3348 8.3713 8.6574 8.7260 k =-0.2460 0.3445 0.6564 ( 5851 PWs) bands (ev): -7.9675 -7.9674 -7.9033 -7.9027 -7.7057 -7.7054 -7.4183 -7.4172 -1.9036 -1.8816 -1.8490 -1.8297 -1.6100 -1.5880 -1.5073 -1.4951 -1.4757 -1.4713 -0.5387 -0.4869 -0.0272 -0.0063 0.2096 0.2237 1.2841 1.3987 1.4720 1.5437 1.9451 2.0125 2.4745 2.5245 2.5639 2.5650 2.8364 2.8461 3.1821 3.2216 3.6848 3.7248 3.9128 3.9376 7.9819 7.9890 8.1978 8.2489 8.3118 8.3507 8.6572 8.7223 k =-0.2545 0.3564 0.6418 ( 5853 PWs) bands (ev): -7.9736 -7.9734 -7.9049 -7.9043 -7.7105 -7.7102 -7.4071 -7.4061 -1.9046 -1.8826 -1.8497 -1.8290 -1.6117 -1.5859 -1.5091 -1.4955 -1.4758 -1.4709 -0.5375 -0.4836 0.0094 0.0303 0.2396 0.2566 1.2792 1.3856 1.4998 1.5600 1.9163 1.9864 2.4505 2.4917 2.5069 2.5831 2.8235 2.8440 3.1373 3.1849 3.6826 3.7217 3.9211 3.9478 7.9420 7.9502 8.2359 8.2618 8.3019 8.3487 8.6651 8.7251 k =-0.2630 0.3682 0.6273 ( 5847 PWs) bands (ev): -7.9789 -7.9788 -7.9060 -7.9054 -7.7149 -7.7146 -7.3972 -7.3962 -1.9055 -1.8835 -1.8507 -1.8280 -1.6136 -1.5834 -1.5113 -1.4956 -1.4760 -1.4703 -0.5368 -0.4811 0.0425 0.0636 0.2684 0.2879 1.2743 1.3738 1.5275 1.5785 1.8902 1.9613 2.3991 2.4506 2.4859 2.5995 2.8122 2.8434 3.0990 3.1542 3.6809 3.7192 3.9285 3.9571 7.9019 7.9095 8.2383 8.2567 8.3130 8.3737 8.6798 8.7336 k =-0.2714 0.3801 0.6127 ( 5846 PWs) bands (ev): -7.9836 -7.9835 -7.9067 -7.9061 -7.7190 -7.7187 -7.3887 -7.3876 -1.9063 -1.8843 -1.8519 -1.8269 -1.6154 -1.5806 -1.5138 -1.4956 -1.4761 -1.4695 -0.5365 -0.4795 0.0715 0.0929 0.2949 0.3167 1.2701 1.3637 1.5543 1.5990 1.8677 1.9379 2.3459 2.3974 2.4824 2.6109 2.8035 2.8429 3.0683 3.1298 3.6797 3.7172 3.9349 3.9654 7.8652 7.8718 8.2199 8.2390 8.3436 8.4016 8.6997 8.7467 k =-0.2799 0.3919 0.5981 ( 5840 PWs) bands (ev): -7.9875 -7.9875 -7.9070 -7.9064 -7.7227 -7.7224 -7.3816 -7.3805 -1.9069 -1.8849 -1.8532 -1.8256 -1.6173 -1.5775 -1.5166 -1.4955 -1.4763 -1.4685 -0.5366 -0.4787 0.0961 0.1180 0.3181 0.3416 1.2670 1.3556 1.5797 1.6212 1.8495 1.9172 2.2949 2.3469 2.4789 2.6162 2.7984 2.8423 3.0457 3.1115 3.6789 3.7157 3.9403 3.9725 7.8337 7.8392 8.2018 8.2180 8.3723 8.4239 8.7218 8.7632 k =-0.2884 0.4038 0.5836 ( 5846 PWs) bands (ev): -7.9908 -7.9907 -7.9067 -7.9061 -7.7259 -7.7257 -7.3759 -7.3748 -1.9075 -1.8854 -1.8546 -1.8244 -1.6191 -1.5742 -1.5194 -1.4954 -1.4764 -1.4676 -0.5370 -0.4785 0.1157 0.1385 0.3371 0.3618 1.2650 1.3499 1.6032 1.6449 1.8361 1.8998 2.2474 2.2996 2.4758 2.6154 2.7974 2.8420 3.0308 3.0989 3.6784 3.7148 3.9445 3.9784 7.8085 7.8131 8.1867 8.1988 8.3949 8.4405 8.7430 8.7808 k =-0.2968 0.4156 0.5690 ( 5845 PWs) bands (ev): -7.9933 -7.9933 -7.9060 -7.9054 -7.7288 -7.7285 -7.3716 -7.3705 -1.9079 -1.8857 -1.8560 -1.8231 -1.6207 -1.5708 -1.5224 -1.4952 -1.4766 -1.4665 -0.5377 -0.4789 0.1301 0.1539 0.3511 0.3764 1.2641 1.3468 1.6245 1.6697 1.8281 1.8864 2.2040 2.2557 2.4740 2.6099 2.8001 2.8432 3.0221 3.0914 3.6784 3.7142 3.9476 3.9830 7.7902 7.7941 8.1754 8.1830 8.4116 8.4526 8.7608 8.7971 k =-0.3053 0.4275 0.5544 ( 5853 PWs) bands (ev): -7.9951 -7.9951 -7.9047 -7.9042 -7.7313 -7.7310 -7.3688 -7.3677 -1.9083 -1.8858 -1.8575 -1.8219 -1.6223 -1.5673 -1.5253 -1.4950 -1.4768 -1.4655 -0.5386 -0.4798 0.1388 0.1637 0.3598 0.3850 1.2638 1.3464 1.6436 1.6945 1.8255 1.8774 2.1657 2.2159 2.4742 2.6015 2.8056 2.8471 3.0179 3.0883 3.6785 3.7141 3.9495 3.9862 7.7794 7.7829 8.1681 8.1714 8.4231 8.4615 8.7733 8.8096 k =-0.3138 0.4393 0.5399 ( 5857 PWs) bands (ev): -7.9962 -7.9961 -7.9030 -7.9025 -7.7333 -7.7330 -7.3675 -7.3664 -1.9085 -1.8858 -1.8588 -1.8207 -1.6238 -1.5638 -1.5283 -1.4947 -1.4770 -1.4644 -0.5397 -0.4813 0.1415 0.1675 0.3633 0.3875 1.2636 1.3483 1.6603 1.7179 1.8281 1.8733 2.1337 2.1814 2.4768 2.5924 2.8128 2.8550 3.0167 3.0891 3.6789 3.7143 3.9503 3.9882 7.7761 7.7797 8.1629 8.1663 8.4306 8.4680 8.7794 8.8168 k =-0.3138 0.4393 0.5399 ( 5857 PWs) bands (ev): -7.9962 -7.9961 -7.9030 -7.9025 -7.7333 -7.7330 -7.3675 -7.3664 -1.9085 -1.8858 -1.8588 -1.8207 -1.6238 -1.5638 -1.5283 -1.4947 -1.4770 -1.4644 -0.5397 -0.4813 0.1415 0.1675 0.3633 0.3875 1.2636 1.3483 1.6603 1.7179 1.8281 1.8733 2.1337 2.1814 2.4768 2.5924 2.8128 2.8550 3.0167 3.0891 3.6789 3.7143 3.9503 3.9882 7.7761 7.7797 8.1629 8.1663 8.4306 8.4680 8.7794 8.8168 k =-0.3050 0.4271 0.5249 ( 5853 PWs) bands (ev): -8.0038 -8.0037 -7.8898 -7.8891 -7.7377 -7.7375 -7.3664 -7.3653 -1.9079 -1.8849 -1.8571 -1.8203 -1.6212 -1.5628 -1.5273 -1.4920 -1.4779 -1.4636 -0.5503 -0.4946 0.1442 0.1750 0.3850 0.3990 1.2365 1.3177 1.6455 1.6994 1.8236 1.8647 2.0991 2.1477 2.4532 2.5738 2.8007 2.8692 3.0235 3.1159 3.6806 3.7137 3.9661 4.0031 7.8389 7.8418 8.2141 8.2169 8.4659 8.5153 8.8032 8.8432 k =-0.2963 0.4149 0.5099 ( 5849 PWs) bands (ev): -8.0179 -8.0178 -7.8746 -7.8738 -7.7370 -7.7367 -7.3653 -7.3642 -1.9069 -1.8840 -1.8552 -1.8199 -1.6182 -1.5618 -1.5261 -1.4895 -1.4790 -1.4630 -0.5633 -0.5106 0.1345 0.1692 0.4204 0.4251 1.2108 1.2888 1.6309 1.6828 1.8219 1.8589 2.0617 2.1126 2.4305 2.5526 2.7960 2.8847 3.0372 3.1461 3.6784 3.7094 3.9793 4.0157 7.9028 7.9053 8.2609 8.2635 8.4853 8.5453 8.8266 8.8761 k =-0.2876 0.4027 0.4949 ( 5845 PWs) bands (ev): -8.0375 -8.0373 -7.8577 -7.8569 -7.7319 -7.7316 -7.3643 -7.3632 -1.9056 -1.8831 -1.8532 -1.8195 -1.6149 -1.5609 -1.5250 -1.4872 -1.4801 -1.4624 -0.5783 -0.5287 0.1178 0.1550 0.4603 0.4634 1.1871 1.2623 1.6162 1.6678 1.8226 1.8559 2.0234 2.0766 2.4091 2.5295 2.7988 2.9010 3.0570 3.1791 3.6723 3.7013 3.9899 4.0258 7.9673 7.9702 8.3026 8.3050 8.4937 8.5599 8.8505 8.9094 k =-0.2789 0.3905 0.4799 ( 5861 PWs) bands (ev): -8.0610 -8.0608 -7.8396 -7.8387 -7.7234 -7.7232 -7.3634 -7.3622 -1.9040 -1.8821 -1.8511 -1.8192 -1.6112 -1.5602 -1.5238 -1.4858 -1.4806 -1.4619 -0.5950 -0.5488 0.0977 0.1365 0.4995 0.5091 1.1659 1.2388 1.6014 1.6538 1.8245 1.8553 1.9863 2.0408 2.3900 2.5062 2.8075 2.9178 3.0818 3.2143 3.6622 3.6894 3.9976 4.0335 8.0319 8.0360 8.3383 8.3410 8.4957 8.5636 8.8731 8.9384 k =-0.2702 0.3783 0.4649 ( 5861 PWs) bands (ev): -8.0872 -8.0870 -7.8206 -7.8197 -7.7125 -7.7123 -7.3625 -7.3613 -1.9020 -1.8812 -1.8489 -1.8189 -1.6073 -1.5595 -1.5226 -1.4861 -1.4797 -1.4615 -0.6131 -0.5702 0.0763 0.1161 0.5391 0.5547 1.1484 1.2193 1.5864 1.6403 1.8246 1.8560 1.9535 2.0067 2.3745 2.4847 2.8205 2.9348 3.1109 3.2515 3.6480 3.6737 4.0023 4.0387 8.0963 8.1021 8.3675 8.3714 8.4948 8.5610 8.8928 8.9614 k =-0.2615 0.3661 0.4499 ( 5861 PWs) bands (ev): -8.1153 -8.1151 -7.8010 -7.8001 -7.6999 -7.6996 -7.3617 -7.3605 -1.8997 -1.8802 -1.8465 -1.8187 -1.6030 -1.5590 -1.5213 -1.4876 -1.4778 -1.4612 -0.6323 -0.5928 0.0544 0.0950 0.5765 0.5978 1.1357 1.2046 1.5714 1.6266 1.8175 1.8555 1.9298 1.9773 2.3639 2.4667 2.8365 2.9514 3.1433 3.2902 3.6297 3.6544 4.0042 4.0417 8.1596 8.1679 8.3903 8.3967 8.4933 8.5556 8.9084 8.9784 k =-0.2527 0.3539 0.4349 ( 5867 PWs) bands (ev): -8.1445 -8.1443 -7.7809 -7.7800 -7.6860 -7.6858 -7.3609 -7.3597 -1.8972 -1.8792 -1.8441 -1.8186 -1.5985 -1.5585 -1.5202 -1.4897 -1.4757 -1.4610 -0.6523 -0.6162 0.0328 0.0741 0.6100 0.6365 1.1293 1.1957 1.5562 1.6126 1.7988 1.8477 1.9203 1.9568 2.3600 2.4540 2.8542 2.9671 3.1784 3.3300 3.6073 3.6317 4.0035 4.0428 8.2200 8.2317 8.4079 8.4179 8.4931 8.5498 8.9196 8.9898 k =-0.2440 0.3417 0.4199 ( 5859 PWs) bands (ev): -8.1744 -8.1742 -7.7605 -7.7596 -7.6712 -7.6710 -7.3602 -7.3590 -1.8943 -1.8781 -1.8416 -1.8185 -1.5938 -1.5582 -1.5191 -1.4920 -1.4735 -1.4610 -0.6728 -0.6399 0.0116 0.0536 0.6381 0.6689 1.1307 1.1934 1.5408 1.5982 1.7710 1.8280 1.9233 1.9475 2.3642 2.4483 2.8725 2.9811 3.2157 3.3702 3.5811 3.6064 4.0003 4.0425 8.2743 8.2902 8.4236 8.4372 8.4966 8.5456 8.9259 8.9961 k =-0.2353 0.3295 0.4049 ( 5857 PWs) bands (ev): -8.2046 -8.2045 -7.7399 -7.7390 -7.6558 -7.6556 -7.3596 -7.3584 -1.8913 -1.8771 -1.8391 -1.8185 -1.5889 -1.5580 -1.5181 -1.4945 -1.4715 -1.4610 -0.6936 -0.6638 -0.0090 0.0339 0.6600 0.6936 1.1412 1.1977 1.5252 1.5836 1.7390 1.7998 1.9322 1.9464 2.3775 2.4509 2.8904 2.9928 3.2546 3.4091 3.5515 3.5802 3.9951 4.0412 8.3165 8.3349 8.4447 8.4568 8.5089 8.5450 8.9268 8.9970 k =-0.2266 0.3173 0.3899 ( 5863 PWs) bands (ev): -8.2349 -8.2347 -7.7192 -7.7183 -7.6400 -7.6398 -7.3591 -7.3579 -1.8880 -1.8760 -1.8366 -1.8185 -1.5839 -1.5580 -1.5172 -1.4972 -1.4695 -1.4611 -0.7145 -0.6874 -0.0287 0.0149 0.6755 0.7102 1.1608 1.2082 1.5094 1.5693 1.7060 1.7677 1.9420 1.9497 2.4004 2.4627 2.9071 3.0014 3.2944 3.4417 3.5192 3.5581 3.9885 4.0397 8.3400 8.3559 8.4704 8.4836 8.5377 8.5517 8.9214 8.9923 k =-0.2179 0.3051 0.3749 ( 5873 PWs) bands (ev): -8.2650 -8.2648 -7.6985 -7.6976 -7.6240 -7.6238 -7.3586 -7.3574 -1.8846 -1.8750 -1.8341 -1.8186 -1.5788 -1.5580 -1.5166 -1.4999 -1.4677 -1.4613 -0.7352 -0.7106 -0.0476 -0.0030 0.6852 0.7195 1.1882 1.2234 1.4934 1.5563 1.6735 1.7344 1.9487 1.9569 2.4325 2.4840 2.9218 3.0060 3.3337 3.4530 3.4858 3.5555 3.9810 4.0387 8.3439 8.3570 8.4869 8.5164 8.5762 8.5841 8.9092 8.9817 k =-0.2092 0.2929 0.3599 ( 5877 PWs) bands (ev): -8.2947 -8.2946 -7.6779 -7.6769 -7.6079 -7.6077 -7.3582 -7.3571 -1.8811 -1.8739 -1.8317 -1.8188 -1.5736 -1.5582 -1.5163 -1.5026 -1.4661 -1.4616 -0.7555 -0.7331 -0.0655 -0.0200 0.6902 0.7233 1.2210 1.2409 1.4778 1.5456 1.6427 1.7014 1.9533 1.9656 2.4729 2.5143 2.9339 3.0062 3.3666 3.4366 3.4548 3.5816 3.9734 4.0389 8.3325 8.3459 8.5034 8.5351 8.6242 8.6390 8.8899 8.9648 k =-0.2005 0.2807 0.3449 ( 5873 PWs) bands (ev): -8.3239 -8.3238 -7.6574 -7.6564 -7.5919 -7.5917 -7.3579 -7.3568 -1.8775 -1.8728 -1.8295 -1.8190 -1.5685 -1.5583 -1.5162 -1.5052 -1.4645 -1.4620 -0.7753 -0.7548 -0.0824 -0.0358 0.6919 0.7233 1.2539 1.2599 1.4637 1.5380 1.6150 1.6694 1.9579 1.9736 2.5202 2.5524 2.9427 3.0014 3.3679 3.4086 3.4523 3.6208 3.9667 4.0409 8.3096 8.3245 8.5218 8.5494 8.6759 8.6950 8.8642 8.9406 k =-0.1917 0.2685 0.3299 ( 5881 PWs) bands (ev): -8.3525 -8.3524 -7.6371 -7.6362 -7.5759 -7.5757 -7.3576 -7.3565 -1.8740 -1.8717 -1.8273 -1.8192 -1.5640 -1.5581 -1.5164 -1.5077 -1.4634 -1.4623 -0.7944 -0.7754 -0.0982 -0.0506 0.6915 0.7212 1.2699 1.2893 1.4541 1.5321 1.5938 1.6392 1.9630 1.9810 2.5727 2.5965 2.9475 2.9916 3.3363 3.3732 3.4859 3.6642 3.9615 4.0454 8.2763 8.2930 8.5417 8.5636 8.7054 8.7370 8.8430 8.8992 k =-0.1830 0.2563 0.3149 ( 5873 PWs) bands (ev): -8.3804 -8.3803 -7.6172 -7.6163 -7.5602 -7.5600 -7.3574 -7.3564 -1.8714 -1.8697 -1.8253 -1.8194 -1.5620 -1.5556 -1.5168 -1.5101 -1.4632 -1.4618 -0.8126 -0.7948 -0.1129 -0.0643 0.6903 0.7184 1.2776 1.3113 1.4537 1.5227 1.5860 1.6119 1.9688 1.9880 2.6281 2.6439 2.9475 2.9780 3.2976 3.3375 3.5279 3.7088 3.9588 4.0526 8.2326 8.2507 8.5595 8.5753 8.6717 8.7145 8.8471 8.8837 k =-0.1743 0.2441 0.2999 ( 5879 PWs) bands (ev): -8.4074 -8.4073 -7.5976 -7.5967 -7.5447 -7.5445 -7.3573 -7.3563 -1.8703 -1.8664 -1.8235 -1.8196 -1.5623 -1.5511 -1.5175 -1.5123 -1.4637 -1.4609 -0.8300 -0.8129 -0.1264 -0.0769 0.6892 0.7160 1.2790 1.3174 1.4624 1.5106 1.5838 1.5992 1.9755 1.9948 2.6827 2.6920 2.9386 2.9656 3.2598 3.3048 3.5721 3.7536 3.9593 4.0628 8.1778 8.1972 8.5485 8.5594 8.6187 8.6547 8.8261 8.8867 k =-0.1656 0.2319 0.2849 ( 5879 PWs) bands (ev): -8.4336 -8.4335 -7.5785 -7.5776 -7.5296 -7.5294 -7.3573 -7.3563 -1.8694 -1.8630 -1.8219 -1.8199 -1.5635 -1.5462 -1.5182 -1.5144 -1.4643 -1.4602 -0.8463 -0.8298 -0.1387 -0.0883 0.6890 0.7147 1.2749 1.3100 1.4603 1.5112 1.5713 1.6168 1.9829 2.0017 2.7271 2.7414 2.9175 2.9595 3.2283 3.2785 3.6171 3.7976 3.9637 4.0759 8.1119 8.1324 8.4630 8.4767 8.6178 8.6468 8.8037 8.8651 k =-0.1569 0.2197 0.2699 ( 5871 PWs) bands (ev): -8.4587 -8.4586 -7.5599 -7.5591 -7.5150 -7.5148 -7.3573 -7.3563 -1.8686 -1.8597 -1.8206 -1.8200 -1.5649 -1.5413 -1.5188 -1.5164 -1.4650 -1.4597 -0.8615 -0.8454 -0.1498 -0.0987 0.6901 0.7149 1.2668 1.2955 1.4428 1.5103 1.5821 1.6410 1.9907 2.0085 2.7554 2.7862 2.8895 2.9556 3.2099 3.2632 3.6623 3.8402 3.9728 4.0917 8.0354 8.0568 8.3573 8.3703 8.6173 8.6559 8.7930 8.8511 k =-0.1482 0.2075 0.2549 ( 5865 PWs) bands (ev): -8.4828 -8.4827 -7.5418 -7.5411 -7.5008 -7.5006 -7.3573 -7.3564 -1.8679 -1.8567 -1.8204 -1.8193 -1.5666 -1.5367 -1.5191 -1.5184 -1.4657 -1.4593 -0.8755 -0.8597 -0.1597 -0.1082 0.6931 0.7173 1.2560 1.2780 1.4221 1.4970 1.6131 1.6667 1.9984 2.0151 2.7668 2.8141 2.8623 2.9473 3.2135 3.2646 3.7074 3.8801 3.9872 4.1099 7.9495 7.9715 8.2487 8.2602 8.6008 8.6540 8.7990 8.8519 k =-0.1394 0.1953 0.2399 ( 5857 PWs) bands (ev): -8.5059 -8.5058 -7.5245 -7.5237 -7.4871 -7.4869 -7.3574 -7.3566 -1.8673 -1.8540 -1.8206 -1.8184 -1.5685 -1.5327 -1.5201 -1.5190 -1.4666 -1.4592 -0.8882 -0.8727 -0.1684 -0.1166 0.6982 0.7219 1.2431 1.2599 1.4019 1.4814 1.6485 1.6914 2.0053 2.0214 2.7632 2.8053 2.8532 2.9293 3.2429 3.2869 3.7523 3.9162 4.0077 4.1301 7.8557 7.8780 8.1409 8.1507 8.5685 8.6312 8.8207 8.8704 k =-0.1307 0.1831 0.2249 ( 5857 PWs) bands (ev): -8.5277 -8.5276 -7.5078 -7.5071 -7.4740 -7.4738 -7.3576 -7.3568 -1.8667 -1.8516 -1.8208 -1.8177 -1.5705 -1.5304 -1.5211 -1.5182 -1.4675 -1.4593 -0.8997 -0.8846 -0.1760 -0.1242 0.7056 0.7291 1.2284 1.2426 1.3835 1.4669 1.6823 1.7128 2.0106 2.0271 2.7496 2.7749 2.8494 2.9028 3.2932 3.3295 3.7969 3.9478 4.0344 4.1517 7.7556 7.7779 8.0356 8.0437 8.5242 8.5900 8.8531 8.9022 k =-0.1220 0.1708 0.2099 ( 5845 PWs) bands (ev): -8.5484 -8.5483 -7.4919 -7.4912 -7.4615 -7.4614 -7.3578 -7.3570 -1.8662 -1.8495 -1.8210 -1.8173 -1.5724 -1.5305 -1.5206 -1.5163 -1.4685 -1.4595 -0.9100 -0.8953 -0.1823 -0.1309 0.7156 0.7390 1.2116 1.2275 1.3676 1.4544 1.7117 1.7294 2.0132 2.0321 2.7287 2.7451 2.8372 2.8722 3.3566 3.3879 3.8410 3.9757 4.0661 4.1743 7.6510 7.6729 7.9339 7.9405 8.4714 8.5361 8.8917 8.9419 k =-0.1133 0.1586 0.1950 ( 5839 PWs) bands (ev): -8.5678 -8.5677 -7.4768 -7.4762 -7.4498 -7.4496 -7.3580 -7.3573 -1.8658 -1.8479 -1.8211 -1.8170 -1.5743 -1.5325 -1.5194 -1.5133 -1.4695 -1.4599 -0.9190 -0.9049 -0.1876 -0.1369 0.7281 0.7516 1.1938 1.2143 1.3545 1.4443 1.7341 1.7402 2.0126 2.0355 2.7017 2.7226 2.8189 2.8417 3.4272 3.4562 3.8849 4.0016 4.1004 4.1973 7.5433 7.5645 7.8366 7.8417 8.4127 8.4741 8.9338 8.9862 k =-0.1046 0.1464 0.1800 ( 5843 PWs) bands (ev): -8.5859 -8.5858 -7.4626 -7.4620 -7.4387 -7.4385 -7.3582 -7.3577 -1.8654 -1.8468 -1.8213 -1.8169 -1.5760 -1.5353 -1.5181 -1.5099 -1.4706 -1.4605 -0.9270 -0.9134 -0.1918 -0.1423 0.7430 0.7669 1.1759 1.2025 1.3447 1.4367 1.7413 1.7508 2.0085 2.0366 2.6750 2.7053 2.7981 2.8143 3.5012 3.5297 3.9285 4.0270 4.1354 4.2205 7.4340 7.4543 7.7444 7.7482 8.3504 8.4073 8.9778 9.0330 k =-0.0959 0.1342 0.1650 ( 5845 PWs) bands (ev): -8.6027 -8.6026 -7.4492 -7.4488 -7.4284 -7.4282 -7.3585 -7.3580 -1.8650 -1.8461 -1.8214 -1.8169 -1.5774 -1.5383 -1.5167 -1.5065 -1.4718 -1.4611 -0.9338 -0.9211 -0.1950 -0.1471 0.7602 0.7849 1.1587 1.1920 1.3383 1.4315 1.7364 1.7562 2.0009 2.0346 2.6527 2.6915 2.7775 2.7918 3.5758 3.6051 3.9722 4.0531 4.1699 4.2432 7.3246 7.3438 7.6577 7.6604 8.2864 8.3384 9.0229 9.0809 k =-0.0872 0.1220 0.1500 ( 5847 PWs) bands (ev): -8.6181 -8.6181 -7.4369 -7.4365 -7.4188 -7.4187 -7.3589 -7.3584 -1.8646 -1.8458 -1.8215 -1.8171 -1.5786 -1.5416 -1.5152 -1.5033 -1.4728 -1.4618 -0.9397 -0.9278 -0.1972 -0.1514 0.7796 0.8055 1.1426 1.1827 1.3355 1.4285 1.7234 1.7518 1.9899 2.0289 2.6359 2.6809 2.7603 2.7746 3.6485 3.6793 4.0165 4.0806 4.2031 4.2653 7.2162 7.2342 7.5769 7.5790 8.2227 8.2697 9.0682 9.1287 k =-0.0784 0.1098 0.1350 ( 5849 PWs) bands (ev): -8.6322 -8.6321 -7.4255 -7.4252 -7.4101 -7.4100 -7.3592 -7.3588 -1.8642 -1.8460 -1.8215 -1.8173 -1.5794 -1.5449 -1.5135 -1.5004 -1.4739 -1.4626 -0.9446 -0.9337 -0.1985 -0.1554 0.8007 0.8283 1.1280 1.1751 1.3363 1.4276 1.7031 1.7377 1.9756 2.0191 2.6248 2.6728 2.7485 2.7625 3.7172 3.7498 4.0617 4.1105 4.2344 4.2863 7.1104 7.1270 7.5026 7.5043 8.1607 8.2028 9.1130 9.1755 k =-0.0697 0.0976 0.1200 ( 5845 PWs) bands (ev): -8.6448 -8.6447 -7.4152 -7.4149 -7.4022 -7.4021 -7.3596 -7.3593 -1.8638 -1.8465 -1.8216 -1.8175 -1.5798 -1.5483 -1.5117 -1.4979 -1.4747 -1.4634 -0.9487 -0.9389 -0.1990 -0.1591 0.8230 0.8529 1.1151 1.1694 1.3406 1.4284 1.6766 1.7148 1.9584 2.0053 2.6189 2.6666 2.7428 2.7552 3.7798 3.8138 4.1083 4.1435 4.2636 4.3061 7.0085 7.0236 7.4351 7.4366 8.1020 8.1392 9.1567 9.2201 k =-0.0610 0.0854 0.1050 ( 5847 PWs) bands (ev): -8.6560 -8.6560 -7.4060 -7.4057 -7.3952 -7.3951 -7.3600 -7.3598 -1.8633 -1.8474 -1.8216 -1.8178 -1.5800 -1.5516 -1.5099 -1.4960 -1.4754 -1.4643 -0.9521 -0.9434 -0.1988 -0.1625 0.8460 0.8787 1.1045 1.1660 1.3480 1.4303 1.6455 1.6849 1.9391 1.9880 2.6173 2.6618 2.7424 2.7522 3.8348 3.8691 4.1561 4.1802 4.2907 4.3245 6.9120 6.9255 7.3748 7.3763 8.0478 8.0802 9.1988 9.2616 k =-0.0523 0.0732 0.0900 ( 5845 PWs) bands (ev): -8.6657 -8.6657 -7.3978 -7.3976 -7.3890 -7.3889 -7.3605 -7.3603 -1.8628 -1.8485 -1.8215 -1.8182 -1.5797 -1.5549 -1.5081 -1.4946 -1.4757 -1.4652 -0.9547 -0.9473 -0.1980 -0.1658 0.8688 0.9045 1.0972 1.1652 1.3584 1.4326 1.6114 1.6498 1.9187 1.9680 2.6190 2.6583 2.7459 2.7528 3.8814 3.9142 4.2039 4.2200 4.3156 4.3414 6.8225 6.8343 7.3220 7.3235 7.9990 8.0267 9.2386 9.2988 k =-0.0436 0.0610 0.0750 ( 5851 PWs) bands (ev): -8.6740 -8.6740 -7.3906 -7.3905 -7.3837 -7.3837 -7.3611 -7.3610 -1.8621 -1.8498 -1.8214 -1.8185 -1.5791 -1.5580 -1.5063 -1.4940 -1.4755 -1.4661 -0.9568 -0.9506 -0.1966 -0.1691 0.8905 0.9284 1.0943 1.1671 1.3713 1.4345 1.5766 1.6116 1.8987 1.9463 2.6228 2.6559 2.7515 2.7560 3.9195 3.9490 4.2493 4.2608 4.3388 4.3572 6.7418 6.7519 7.2769 7.2784 7.9566 7.9797 9.2755 9.3306 k =-0.0349 0.0488 0.0600 ( 5849 PWs) bands (ev): -8.6808 -8.6808 -7.3846 -7.3845 -7.3794 -7.3793 -7.3618 -7.3617 -1.8613 -1.8513 -1.8213 -1.8189 -1.5782 -1.5611 -1.5045 -1.4939 -1.4751 -1.4670 -0.9583 -0.9533 -0.1947 -0.1722 0.9104 0.9480 1.0977 1.1710 1.3863 1.4349 1.5433 1.5723 1.8807 1.9241 2.6277 2.6542 2.7579 2.7606 3.9498 3.9743 4.2888 4.2983 4.3613 4.3726 6.6720 6.6802 7.2399 7.2413 7.9213 7.9398 9.3090 9.3560 k =-0.0261 0.0366 0.0450 ( 5849 PWs) bands (ev): -8.6861 -8.6861 -7.3796 -7.3795 -7.3759 -7.3759 -7.3627 -7.3626 -1.8605 -1.8528 -1.8211 -1.8192 -1.5770 -1.5640 -1.5027 -1.4944 -1.4743 -1.4680 -0.9593 -0.9555 -0.1925 -0.1753 0.9277 0.9609 1.1085 1.1755 1.4026 1.4336 1.5138 1.5339 1.8665 1.9029 2.6330 2.6528 2.7638 2.7655 3.9729 3.9917 4.3191 4.3277 4.3835 4.3889 6.6149 6.6212 7.2110 7.2121 7.8938 7.9076 9.3384 9.3742 k =-0.0174 0.0244 0.0300 ( 5845 PWs) bands (ev): -8.6899 -8.6899 -7.3758 -7.3756 -7.3735 -7.3734 -7.3637 -7.3635 -1.8594 -1.8542 -1.8209 -1.8196 -1.5754 -1.5667 -1.5010 -1.4953 -1.4733 -1.4690 -0.9598 -0.9573 -0.1900 -0.1784 0.9420 0.9665 1.1257 1.1777 1.4196 1.4320 1.4893 1.4992 1.8576 1.8840 2.6381 2.6512 2.7686 2.7697 3.9897 4.0024 4.3392 4.3459 4.4037 4.4057 6.5727 6.5770 7.1904 7.1912 7.8744 7.8837 9.3632 9.3859 k =-0.0087 0.0122 0.0150 ( 5873 PWs) bands (ev): -8.6921 -8.6921 -7.3732 -7.3730 -7.3718 -7.3718 -7.3646 -7.3646 -1.8583 -1.8557 -1.8206 -1.8200 -1.5736 -1.5692 -1.4994 -1.4965 -1.4723 -1.4701 -0.9598 -0.9586 -0.1873 -0.1814 0.9533 0.9662 1.1455 1.1742 1.4339 1.4373 1.4663 1.4732 1.8549 1.8689 2.6426 2.6492 2.7718 2.7724 4.0009 4.0072 4.3507 4.3544 4.4180 4.4187 6.5471 6.5492 7.1781 7.1785 7.8636 7.8682 9.3825 9.3926 k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -8.6929 -8.6929 -7.3722 -7.3722 -7.3710 -7.3710 -7.3651 -7.3651 -1.8571 -1.8571 -1.8203 -1.8203 -1.5715 -1.5715 -1.4979 -1.4979 -1.4712 -1.4712 -0.9594 -0.9594 -0.1844 -0.1844 0.9615 0.9615 1.1630 1.1630 1.4446 1.4446 1.4555 1.4555 1.8588 1.8588 2.6464 2.6464 2.7731 2.7731 4.0067 4.0067 4.3556 4.3556 4.4234 4.4234 6.5391 6.5391 7.1741 7.1741 7.8615 7.8615 9.3957 9.3959 k = 0.0000 0.0000 0.0000 ( 5871 PWs) bands (ev): -8.6929 -8.6929 -7.3722 -7.3722 -7.3710 -7.3710 -7.3651 -7.3651 -1.8571 -1.8571 -1.8203 -1.8203 -1.5715 -1.5715 -1.4979 -1.4979 -1.4712 -1.4712 -0.9594 -0.9594 -0.1844 -0.1844 0.9615 0.9615 1.1630 1.1630 1.4446 1.4446 1.4555 1.4555 1.8588 1.8588 2.6464 2.6464 2.7731 2.7731 4.0067 4.0067 4.3556 4.3556 4.4234 4.4234 6.5391 6.5391 7.1741 7.1741 7.8615 7.8615 9.3957 9.3958 k = 0.0172 0.0123 0.0000 ( 5871 PWs) bands (ev): -8.6921 -8.6921 -7.3723 -7.3723 -7.3711 -7.3711 -7.3664 -7.3664 -1.8573 -1.8573 -1.8203 -1.8203 -1.5717 -1.5717 -1.4978 -1.4978 -1.4712 -1.4712 -0.9579 -0.9579 -0.1868 -0.1868 0.9649 0.9649 1.1612 1.1612 1.4448 1.4448 1.4570 1.4570 1.8628 1.8628 2.6474 2.6474 2.7741 2.7741 4.0030 4.0030 4.3508 4.3508 4.4214 4.4214 6.5447 6.5447 7.1783 7.1783 7.8621 7.8621 9.3789 9.3792 k = 0.0345 0.0246 0.0000 ( 5847 PWs) bands (ev): -8.6898 -8.6898 -7.3724 -7.3724 -7.3712 -7.3712 -7.3701 -7.3701 -1.8581 -1.8581 -1.8203 -1.8203 -1.5720 -1.5720 -1.4975 -1.4975 -1.4714 -1.4714 -0.9532 -0.9532 -0.1936 -0.1936 0.9752 0.9752 1.1562 1.1562 1.4459 1.4459 1.4612 1.4612 1.8746 1.8746 2.6504 2.6504 2.7771 2.7771 3.9918 3.9918 4.3368 4.3368 4.4155 4.4155 6.5613 6.5613 7.1908 7.1908 7.8637 7.8637 9.3330 9.3331 k = 0.0517 0.0369 0.0000 ( 5847 PWs) bands (ev): -8.6859 -8.6859 -7.3764 -7.3764 -7.3726 -7.3726 -7.3714 -7.3714 -1.8594 -1.8594 -1.8203 -1.8203 -1.5726 -1.5726 -1.4972 -1.4972 -1.4718 -1.4718 -0.9455 -0.9455 -0.2047 -0.2047 0.9913 0.9913 1.1488 1.1488 1.4485 1.4485 1.4677 1.4677 1.8935 1.8935 2.6554 2.6554 2.7819 2.7819 3.9730 3.9730 4.3146 4.3146 4.4058 4.4058 6.5879 6.5879 7.2117 7.2117 7.8665 7.8665 9.2637 9.2638 k = 0.0690 0.0493 0.0000 ( 5855 PWs) bands (ev): -8.6805 -8.6805 -7.3851 -7.3851 -7.3728 -7.3728 -7.3717 -7.3717 -1.8612 -1.8612 -1.8203 -1.8203 -1.5734 -1.5734 -1.4968 -1.4968 -1.4722 -1.4722 -0.9349 -0.9349 -0.2194 -0.2194 1.0117 1.0117 1.1405 1.1405 1.4531 1.4531 1.4762 1.4762 1.9187 1.9187 2.6625 2.6625 2.7887 2.7888 3.9462 3.9462 4.2859 4.2859 4.3923 4.3923 6.6233 6.6233 7.2410 7.2410 7.8702 7.8702 9.1770 9.1770 k = 0.0862 0.0616 0.0000 ( 5867 PWs) bands (ev): -8.6736 -8.6736 -7.3962 -7.3962 -7.3732 -7.3732 -7.3720 -7.3720 -1.8632 -1.8632 -1.8205 -1.8205 -1.5743 -1.5743 -1.4965 -1.4965 -1.4728 -1.4728 -0.9216 -0.9216 -0.2371 -0.2371 1.0324 1.0324 1.1351 1.1351 1.4598 1.4598 1.4867 1.4867 1.9492 1.9492 2.6714 2.6714 2.7974 2.7974 3.9111 3.9111 4.2524 4.2524 4.3753 4.3753 6.6658 6.6658 7.2785 7.2785 7.8747 7.8747 9.0776 9.0776 k = 0.1034 0.0739 0.0000 ( 5867 PWs) bands (ev): -8.6651 -8.6651 -7.4096 -7.4096 -7.3736 -7.3736 -7.3724 -7.3724 -1.8655 -1.8655 -1.8208 -1.8208 -1.5753 -1.5753 -1.4963 -1.4963 -1.4735 -1.4735 -0.9057 -0.9057 -0.2571 -0.2571 1.0458 1.0458 1.1405 1.1405 1.4688 1.4688 1.4991 1.4991 1.9842 1.9842 2.6822 2.6822 2.8079 2.8079 3.8677 3.8677 4.2160 4.2160 4.3549 4.3549 6.7140 6.7140 7.3241 7.3241 7.8799 7.8799 8.9694 8.9694 k = 0.1207 0.0862 0.0000 ( 5866 PWs) bands (ev): -8.6552 -8.6552 -7.4253 -7.4253 -7.3740 -7.3740 -7.3729 -7.3729 -1.8679 -1.8679 -1.8212 -1.8212 -1.5763 -1.5763 -1.4962 -1.4962 -1.4744 -1.4744 -0.8876 -0.8876 -0.2786 -0.2786 1.0453 1.0453 1.1631 1.1631 1.4801 1.4801 1.5134 1.5134 2.0227 2.0227 2.6948 2.6948 2.8201 2.8201 3.8162 3.8162 4.1781 4.1781 4.3312 4.3312 6.7663 6.7663 7.3772 7.3772 7.8855 7.8855 8.8551 8.8551 k = 0.1379 0.0985 0.0000 ( 5854 PWs) bands (ev): -8.6437 -8.6437 -7.4431 -7.4431 -7.3745 -7.3745 -7.3734 -7.3734 -1.8704 -1.8704 -1.8217 -1.8217 -1.5773 -1.5773 -1.4963 -1.4963 -1.4753 -1.4753 -0.8675 -0.8675 -0.3008 -0.3008 1.0348 1.0348 1.1985 1.1985 1.4935 1.4935 1.5295 1.5295 2.0641 2.0641 2.7092 2.7092 2.8339 2.8339 3.7575 3.7575 4.1395 4.1395 4.3047 4.3047 6.8218 6.8218 7.4370 7.4370 7.8913 7.8913 8.7371 8.7371 k = 0.1552 0.1108 0.0000 ( 5846 PWs) bands (ev): -8.6308 -8.6308 -7.4630 -7.4630 -7.3751 -7.3751 -7.3740 -7.3740 -1.8729 -1.8729 -1.8225 -1.8225 -1.5783 -1.5783 -1.4967 -1.4967 -1.4763 -1.4763 -0.8460 -0.8460 -0.3231 -0.3231 1.0203 1.0203 1.2409 1.2409 1.5090 1.5090 1.5475 1.5475 2.1076 2.1076 2.7251 2.7251 2.8491 2.8491 3.6926 3.6926 4.1009 4.1009 4.2755 4.2755 6.8795 6.8795 7.5022 7.5022 7.8971 7.8971 8.6169 8.6170 k = 0.1724 0.1231 0.0000 ( 5862 PWs) bands (ev): -8.6164 -8.6164 -7.4849 -7.4849 -7.3757 -7.3757 -7.3746 -7.3746 -1.8753 -1.8753 -1.8234 -1.8234 -1.5793 -1.5793 -1.4974 -1.4974 -1.4775 -1.4775 -0.8235 -0.8235 -0.3448 -0.3448 1.0045 1.0045 1.2871 1.2871 1.5264 1.5264 1.5672 1.5672 2.1528 2.1528 2.7426 2.7426 2.8658 2.8658 3.6228 3.6228 4.0623 4.0623 4.2439 4.2439 6.9390 6.9390 7.5710 7.5710 7.9027 7.9027 8.4961 8.4961 k = 0.1897 0.1354 0.0000 ( 5866 PWs) bands (ev): -8.6006 -8.6006 -7.5085 -7.5085 -7.3763 -7.3763 -7.3753 -7.3753 -1.8776 -1.8776 -1.8245 -1.8245 -1.5802 -1.5802 -1.4983 -1.4983 -1.4788 -1.4788 -0.8007 -0.8007 -0.3650 -0.3650 0.9888 0.9888 1.3355 1.3355 1.5455 1.5455 1.5885 1.5885 2.1990 2.1990 2.7614 2.7614 2.8835 2.8835 3.5495 3.5495 4.0238 4.0238 4.2103 4.2103 7.0000 7.0000 7.6410 7.6410 7.9082 7.9082 8.3758 8.3758 k = 0.2069 0.1478 0.0000 ( 5862 PWs) bands (ev): -8.5834 -8.5834 -7.5339 -7.5339 -7.3770 -7.3770 -7.3760 -7.3760 -1.8797 -1.8797 -1.8257 -1.8257 -1.5809 -1.5809 -1.4995 -1.4995 -1.4801 -1.4801 -0.7784 -0.7784 -0.3830 -0.3830 0.9739 0.9739 1.3848 1.3848 1.5662 1.5662 1.6114 1.6114 2.2460 2.2460 2.7814 2.7814 2.9022 2.9022 3.4741 3.4741 3.9854 3.9854 4.1749 4.1749 7.0622 7.0622 7.7079 7.7079 7.9146 7.9146 8.2569 8.2569 k = 0.2241 0.1601 0.0000 ( 5846 PWs) bands (ev): -8.5648 -8.5648 -7.5609 -7.5609 -7.3777 -7.3777 -7.3767 -7.3767 -1.8816 -1.8816 -1.8270 -1.8270 -1.5816 -1.5816 -1.5009 -1.5009 -1.4815 -1.4815 -0.7575 -0.7575 -0.3978 -0.3978 0.9603 0.9603 1.4341 1.4341 1.5884 1.5884 1.6359 1.6359 2.2931 2.2931 2.8024 2.8024 2.9214 2.9214 3.3978 3.3978 3.9473 3.9473 4.1382 4.1382 7.1255 7.1255 7.7641 7.7641 7.9252 7.9252 8.1403 8.1403 k = 0.2414 0.1724 0.0000 ( 5846 PWs) bands (ev): -8.5449 -8.5449 -7.5893 -7.5893 -7.3784 -7.3784 -7.3774 -7.3774 -1.8834 -1.8834 -1.8285 -1.8285 -1.5821 -1.5821 -1.5026 -1.5026 -1.4831 -1.4831 -0.7391 -0.7391 -0.4086 -0.4086 0.9485 0.9485 1.4822 1.4822 1.6119 1.6119 1.6618 1.6618 2.3399 2.3399 2.8243 2.8243 2.9406 2.9406 3.3220 3.3220 3.9095 3.9095 4.1004 4.1004 7.1897 7.1897 7.7976 7.7976 7.9448 7.9448 8.0270 8.0270 k = 0.2586 0.1847 0.0000 ( 5842 PWs) bands (ev): -8.5237 -8.5237 -7.6190 -7.6190 -7.3791 -7.3791 -7.3782 -7.3782 -1.8849 -1.8849 -1.8300 -1.8300 -1.5825 -1.5825 -1.5045 -1.5045 -1.4847 -1.4847 -0.7243 -0.7243 -0.4143 -0.4143 0.9386 0.9386 1.5284 1.5284 1.6365 1.6365 1.6893 1.6893 2.3862 2.3862 2.8469 2.8469 2.9591 2.9591 3.2484 3.2484 3.8723 3.8723 4.0619 4.0619 7.2543 7.2543 7.8016 7.8016 7.9160 7.9160 7.9266 7.9266 k = 0.2759 0.1970 0.0000 ( 5838 PWs) bands (ev): -8.5012 -8.5012 -7.6498 -7.6498 -7.3798 -7.3798 -7.3789 -7.3789 -1.8861 -1.8861 -1.8316 -1.8316 -1.5828 -1.5828 -1.5066 -1.5066 -1.4863 -1.4863 -0.7140 -0.7140 -0.4146 -0.4146 0.9309 0.9309 1.5715 1.5715 1.6619 1.6619 1.7181 1.7181 2.4314 2.4314 2.8697 2.8697 2.9749 2.9749 3.1796 3.1796 3.8359 3.8359 4.0231 4.0231 7.3183 7.3183 7.7775 7.7775 7.8119 7.8119 7.8325 7.8325 k = 0.2931 0.2093 0.0000 ( 5834 PWs) bands (ev): -8.4775 -8.4775 -7.6817 -7.6817 -7.3804 -7.3804 -7.3796 -7.3796 -1.8872 -1.8872 -1.8333 -1.8333 -1.5829 -1.5829 -1.5088 -1.5088 -1.4879 -1.4879 -0.7083 -0.7083 -0.4092 -0.4092 0.9254 0.9254 1.6110 1.6110 1.6880 1.6880 1.7483 1.7483 2.4750 2.4750 2.8927 2.8927 2.9830 2.9830 3.1212 3.1212 3.8007 3.8007 3.9844 3.9844 7.3796 7.3796 7.7069 7.7069 7.7158 7.7158 7.7686 7.7686 k = 0.3103 0.2216 0.0000 ( 5850 PWs) bands (ev): -8.4526 -8.4526 -7.7145 -7.7145 -7.3811 -7.3811 -7.3803 -7.3803 -1.8880 -1.8880 -1.8350 -1.8350 -1.5829 -1.5829 -1.5112 -1.5112 -1.4896 -1.4896 -0.7070 -0.7070 -0.3990 -0.3990 0.9223 0.9223 1.6462 1.6462 1.7143 1.7143 1.7792 1.7792 2.5167 2.5167 2.9149 2.9149 2.9708 2.9708 3.0870 3.0870 3.7671 3.7671 3.9460 3.9460 7.4324 7.4324 7.6141 7.6141 7.6252 7.6252 7.7272 7.7272 k = 0.3276 0.2340 0.0000 ( 5854 PWs) bands (ev): -8.4266 -8.4266 -7.7480 -7.7480 -7.3817 -7.3817 -7.3810 -7.3810 -1.8887 -1.8887 -1.8368 -1.8368 -1.5827 -1.5827 -1.5138 -1.5138 -1.4911 -1.4911 -0.7090 -0.7090 -0.3851 -0.3851 0.9214 0.9214 1.6774 1.6774 1.7402 1.7402 1.8101 1.8101 2.5557 2.5557 2.9237 2.9237 2.9461 2.9461 3.0826 3.0826 3.7356 3.7356 3.9085 3.9085 7.4624 7.4624 7.5259 7.5259 7.5397 7.5397 7.7025 7.7025 k = 0.3448 0.2463 0.0000 ( 5862 PWs) bands (ev): -8.3996 -8.3996 -7.7821 -7.7821 -7.3823 -7.3823 -7.3816 -7.3816 -1.8891 -1.8891 -1.8385 -1.8385 -1.5824 -1.5824 -1.5164 -1.5164 -1.4926 -1.4926 -0.7134 -0.7134 -0.3689 -0.3689 0.9228 0.9228 1.7047 1.7047 1.7650 1.7650 1.8399 1.8399 2.5914 2.5914 2.8815 2.8815 2.9630 2.9630 3.0916 3.0916 3.7066 3.7066 3.8720 3.8720 7.4376 7.4376 7.4481 7.4481 7.4720 7.4720 7.7135 7.7135 k = 0.3621 0.2586 0.0000 ( 5862 PWs) bands (ev): -8.3716 -8.3716 -7.8166 -7.8166 -7.3829 -7.3829 -7.3822 -7.3822 -1.8894 -1.8894 -1.8401 -1.8401 -1.5819 -1.5819 -1.5190 -1.5190 -1.4940 -1.4940 -0.7192 -0.7192 -0.3517 -0.3517 0.9262 0.9262 1.7286 1.7286 1.7885 1.7885 1.8674 1.8674 2.6225 2.6225 2.8374 2.8374 2.9838 2.9838 3.1037 3.1037 3.6808 3.6808 3.8370 3.8371 7.3659 7.3659 7.3779 7.3779 7.4257 7.4257 7.7548 7.7548 k = 0.3793 0.2709 0.0000 ( 5878 PWs) bands (ev): -8.3428 -8.3428 -7.8514 -7.8514 -7.3834 -7.3834 -7.3827 -7.3827 -1.8895 -1.8895 -1.8417 -1.8417 -1.5814 -1.5814 -1.5216 -1.5216 -1.4953 -1.4953 -0.7256 -0.7256 -0.3347 -0.3347 0.9312 0.9312 1.7492 1.7492 1.8102 1.8102 1.8917 1.8917 2.6469 2.6469 2.8014 2.8014 3.0039 3.0039 3.1155 3.1155 3.6586 3.6586 3.8039 3.8039 7.2984 7.2984 7.3115 7.3115 7.3744 7.3744 7.8014 7.8014 k = 0.3966 0.2832 0.0000 ( 5874 PWs) bands (ev): -8.3132 -8.3132 -7.8863 -7.8863 -7.3838 -7.3838 -7.3832 -7.3832 -1.8895 -1.8895 -1.8432 -1.8432 -1.5808 -1.5808 -1.5240 -1.5240 -1.4964 -1.4964 -0.7319 -0.7319 -0.3185 -0.3185 0.9375 0.9375 1.7665 1.7665 1.8297 1.8297 1.9122 1.9122 2.6605 2.6605 2.7788 2.7788 3.0227 3.0227 3.1256 3.1256 3.6405 3.6405 3.7729 3.7729 7.2386 7.2386 7.2524 7.2524 7.3231 7.3231 7.8194 7.8194 k = 0.4138 0.2955 0.0000 ( 5846 PWs) bands (ev): -8.2831 -8.2831 -7.9210 -7.9210 -7.3842 -7.3842 -7.3836 -7.3836 -1.8894 -1.8894 -1.8444 -1.8444 -1.5800 -1.5800 -1.5263 -1.5263 -1.4974 -1.4974 -0.7378 -0.7378 -0.3040 -0.3040 0.9445 0.9445 1.7804 1.7804 1.8469 1.8469 1.9287 1.9287 2.6604 2.6604 2.7728 2.7728 3.0401 3.0401 3.1331 3.1332 3.6269 3.6269 3.7443 3.7443 7.1871 7.1871 7.2014 7.2014 7.2760 7.2760 7.8102 7.8102 k = 0.4310 0.3078 0.0000 ( 5846 PWs) bands (ev): -8.2527 -8.2527 -7.9552 -7.9552 -7.3845 -7.3845 -7.3840 -7.3840 -1.8893 -1.8893 -1.8456 -1.8456 -1.5794 -1.5794 -1.5284 -1.5284 -1.4982 -1.4982 -0.7429 -0.7429 -0.2916 -0.2916 0.9516 0.9516 1.7910 1.7910 1.8613 1.8614 1.9414 1.9414 2.6514 2.6514 2.7784 2.7784 3.0556 3.0556 3.1380 3.1380 3.6179 3.6179 3.7186 3.7186 7.1444 7.1444 7.1591 7.1591 7.2355 7.2355 7.7957 7.7957 k = 0.4483 0.3201 0.0000 ( 5838 PWs) bands (ev): -8.2227 -8.2227 -7.9882 -7.9882 -7.3848 -7.3848 -7.3842 -7.3842 -1.8892 -1.8892 -1.8465 -1.8465 -1.5788 -1.5788 -1.5301 -1.5301 -1.4988 -1.4988 -0.7471 -0.7471 -0.2816 -0.2816 0.9580 0.9580 1.7986 1.7986 1.8729 1.8729 1.9507 1.9507 2.6408 2.6408 2.7878 2.7878 3.0690 3.0690 3.1404 3.1404 3.6133 3.6133 3.6961 3.6961 7.1107 7.1107 7.1258 7.1258 7.2028 7.2028 7.7825 7.7825 k = 0.4655 0.3325 0.0000 ( 5838 PWs) bands (ev): -8.1942 -8.1942 -8.0188 -8.0188 -7.3850 -7.3850 -7.3844 -7.3844 -1.8890 -1.8890 -1.8472 -1.8472 -1.5783 -1.5783 -1.5314 -1.5314 -1.4993 -1.4993 -0.7502 -0.7502 -0.2743 -0.2743 0.9632 0.9632 1.8034 1.8034 1.8814 1.8814 1.9569 1.9569 2.6323 2.6323 2.7962 2.7962 3.0798 3.0798 3.1407 3.1407 3.6126 3.6126 3.6776 3.6776 7.0865 7.0865 7.1018 7.1018 7.1790 7.1790 7.7722 7.7722 k = 0.4828 0.3448 0.0000 ( 5838 PWs) bands (ev): -8.1707 -8.1707 -8.0437 -8.0437 -7.3851 -7.3851 -7.3846 -7.3846 -1.8890 -1.8890 -1.8476 -1.8476 -1.5779 -1.5779 -1.5322 -1.5322 -1.4996 -1.4996 -0.7521 -0.7521 -0.2699 -0.2699 0.9665 0.9665 1.8061 1.8061 1.8866 1.8866 1.9605 1.9605 2.6271 2.6271 2.8018 2.8018 3.0870 3.0870 3.1400 3.1400 3.6141 3.6141 3.6646 3.6646 7.0719 7.0719 7.0873 7.0873 7.1644 7.1644 7.7658 7.7658 k = 0.5000 0.3571 0.0000 ( 5846 PWs) bands (ev): -8.1604 -8.1604 -8.0544 -8.0544 -7.3851 -7.3851 -7.3846 -7.3846 -1.8890 -1.8890 -1.8477 -1.8477 -1.5778 -1.5778 -1.5325 -1.5325 -1.4997 -1.4997 -0.7527 -0.7527 -0.2684 -0.2684 0.9677 0.9677 1.8069 1.8069 1.8883 1.8883 1.9617 1.9617 2.6254 2.6254 2.8037 2.8037 3.0895 3.0895 3.1396 3.1396 3.6153 3.6153 3.6596 3.6596 7.0670 7.0670 7.0824 7.0824 7.1596 7.1596 7.7636 7.7636 k = 0.5000 0.3571 0.0000 ( 5846 PWs) bands (ev): -8.1604 -8.1604 -8.0544 -8.0544 -7.3851 -7.3851 -7.3846 -7.3846 -1.8890 -1.8890 -1.8477 -1.8477 -1.5778 -1.5778 -1.5325 -1.5325 -1.4997 -1.4997 -0.7527 -0.7527 -0.2684 -0.2684 0.9677 0.9677 1.8069 1.8069 1.8883 1.8883 1.9617 1.9617 2.6254 2.6254 2.8037 2.8037 3.0895 3.0895 3.1396 3.1396 3.6153 3.6153 3.6596 3.6596 7.0670 7.0670 7.0824 7.0824 7.1596 7.1596 7.7636 7.7636 k = 0.4915 0.3689 0.0146 ( 5838 PWs) bands (ev): -8.1599 -8.1599 -8.0540 -8.0540 -7.3860 -7.3860 -7.3848 -7.3847 -1.8900 -1.8878 -1.8514 -1.8443 -1.5810 -1.5749 -1.5380 -1.5270 -1.5013 -1.4978 -0.7537 -0.7482 -0.2681 -0.2676 0.9626 0.9670 1.7985 1.8146 1.8859 1.8894 1.9570 1.9663 2.6142 2.6295 2.7998 2.8061 3.0846 3.0961 3.1308 3.1498 3.6113 3.6180 3.6580 3.6603 7.0683 7.0708 7.0840 7.0860 7.1612 7.1657 7.7656 7.7690 k = 0.4831 0.3808 0.0291 ( 5850 PWs) bands (ev): -8.1584 -8.1584 -8.0528 -8.0528 -7.3893 -7.3893 -7.3847 -7.3846 -1.8910 -1.8865 -1.8552 -1.8411 -1.5844 -1.5722 -1.5432 -1.5220 -1.5025 -1.4957 -0.7513 -0.7403 -0.2667 -0.2656 0.9520 0.9607 1.7889 1.8217 1.8833 1.8880 1.9533 1.9702 2.5966 2.6265 2.7943 2.8071 3.0800 3.1029 3.1245 3.1625 3.6058 3.6188 3.6558 3.6606 7.0736 7.0781 7.0923 7.0959 7.1705 7.1793 7.7751 7.7817 k = 0.4746 0.3926 0.0437 ( 5860 PWs) bands (ev): -8.1560 -8.1559 -8.0507 -8.0507 -7.3948 -7.3947 -7.3845 -7.3843 -1.8919 -1.8852 -1.8591 -1.8383 -1.5881 -1.5698 -1.5479 -1.5178 -1.5029 -1.4935 -0.7454 -0.7291 -0.2640 -0.2624 0.9362 0.9489 1.7775 1.8278 1.8803 1.8843 1.9516 1.9733 2.5736 2.6168 2.7874 2.8071 3.0739 3.1012 3.1287 3.1779 3.5983 3.6168 3.6542 3.6618 7.0811 7.0866 7.1098 7.1142 7.1874 7.1999 7.7920 7.8016 k = 0.4661 0.4045 0.0583 ( 5856 PWs) bands (ev): -8.1526 -8.1524 -8.0478 -8.0478 -7.4024 -7.4024 -7.3842 -7.3839 -1.8927 -1.8839 -1.8631 -1.8356 -1.5920 -1.5679 -1.5514 -1.5151 -1.5022 -1.4912 -0.7362 -0.7147 -0.2602 -0.2580 0.9155 0.9319 1.7636 1.8321 1.8722 1.8832 1.9526 1.9754 2.5463 2.6012 2.7797 2.8062 3.0651 3.0902 3.1431 3.1958 3.5882 3.6112 3.6543 3.6654 7.0907 7.0968 7.1358 7.1410 7.2113 7.2269 7.8161 7.8284 k = 0.4577 0.4164 0.0728 ( 5850 PWs) bands (ev): -8.1482 -8.1480 -8.0441 -8.0441 -7.4121 -7.4121 -7.3837 -7.3834 -1.8933 -1.8825 -1.8671 -1.8333 -1.5963 -1.5670 -1.5534 -1.5141 -1.5001 -1.4887 -0.7241 -0.6976 -0.2550 -0.2522 0.8905 0.9104 1.7469 1.8327 1.8607 1.8850 1.9559 1.9766 2.5158 2.5809 2.7713 2.8046 3.0527 3.0755 3.1608 3.2148 3.5755 3.6024 3.6565 3.6719 7.1029 7.1098 7.1697 7.1758 7.2418 7.2599 7.8473 7.8618 k = 0.4492 0.4282 0.0874 ( 5850 PWs) bands (ev): -8.1429 -8.1427 -8.0396 -8.0396 -7.4238 -7.4238 -7.3832 -7.3828 -1.8939 -1.8812 -1.8709 -1.8314 -1.6007 -1.5674 -1.5534 -1.5140 -1.4973 -1.4862 -0.7093 -0.6779 -0.2485 -0.2450 0.8619 0.8848 1.7273 1.8250 1.8514 1.8885 1.9602 1.9773 2.4832 2.5571 2.7627 2.8023 3.0369 3.0581 3.1792 3.2332 3.5611 3.5920 3.6613 3.6810 7.1182 7.1257 7.2109 7.2181 7.2782 7.2983 7.8854 7.9015 k = 0.4407 0.4401 0.1020 ( 5850 PWs) bands (ev): -8.1367 -8.1364 -8.0343 -8.0343 -7.4374 -7.4374 -7.3826 -7.3822 -1.8943 -1.8802 -1.8743 -1.8297 -1.6052 -1.5684 -1.5521 -1.5144 -1.4944 -1.4838 -0.6921 -0.6561 -0.2405 -0.2361 0.8300 0.8558 1.7050 1.8077 1.8466 1.8929 1.9636 1.9789 2.4494 2.5311 2.7540 2.7992 3.0179 3.0383 3.1962 3.2489 3.5465 3.5817 3.6686 3.6927 7.1366 7.1447 7.2592 7.2674 7.3201 7.3416 7.9301 7.9472 k = 0.4323 0.4519 0.1165 ( 5856 PWs) bands (ev): -8.1296 -8.1292 -8.0283 -8.0283 -7.4529 -7.4529 -7.3819 -7.3814 -1.8947 -1.8809 -1.8759 -1.8283 -1.6095 -1.5696 -1.5500 -1.5148 -1.4917 -1.4814 -0.6732 -0.6327 -0.2307 -0.2253 0.7956 0.8239 1.6803 1.7849 1.8427 1.8973 1.9636 1.9828 2.4155 2.5039 2.7454 2.7953 2.9966 3.0161 3.2099 3.2597 3.5337 3.5733 3.6785 3.7065 7.1583 7.1669 7.3140 7.3229 7.3672 7.3894 7.9811 7.9986 k = 0.4238 0.4638 0.1311 ( 5864 PWs) bands (ev): -8.1215 -8.1212 -8.0217 -8.0217 -7.4701 -7.4701 -7.3812 -7.3806 -1.8950 -1.8836 -1.8753 -1.8272 -1.6137 -1.5706 -1.5478 -1.5152 -1.4892 -1.4793 -0.6531 -0.6082 -0.2191 -0.2124 0.7592 0.7897 1.6535 1.7590 1.8376 1.9007 1.9603 1.9881 2.3823 2.4768 2.7370 2.7899 2.9740 2.9918 3.2181 3.2630 3.5252 3.5689 3.6908 3.7223 7.1833 7.1923 7.3746 7.3835 7.4196 7.4414 8.0381 8.0554 k = 0.4153 0.4756 0.1457 ( 5864 PWs) bands (ev): -8.1127 -8.1123 -8.0143 -8.0143 -7.4889 -7.4888 -7.3803 -7.3797 -1.8954 -1.8865 -1.8741 -1.8262 -1.6175 -1.5713 -1.5454 -1.5153 -1.4869 -1.4773 -0.6325 -0.5834 -0.2051 -0.1971 0.7213 0.7538 1.6250 1.7310 1.8309 1.9025 1.9547 1.9928 2.3509 2.4505 2.7289 2.7824 2.9518 2.9658 3.2191 3.2573 3.5229 3.5698 3.7053 3.7398 7.2116 7.2209 7.4398 7.4471 7.4783 7.4978 8.1008 8.1174 k = 0.4069 0.4875 0.1602 ( 5850 PWs) bands (ev): -8.1030 -8.1026 -8.0064 -8.0064 -7.5091 -7.5090 -7.3794 -7.3788 -1.8960 -1.8890 -1.8728 -1.8255 -1.6209 -1.5716 -1.5431 -1.5151 -1.4847 -1.4755 -0.6120 -0.5589 -0.1885 -0.1790 0.6824 0.7166 1.5953 1.7014 1.8225 1.9019 1.9473 1.9955 2.3222 2.4259 2.7211 2.7716 2.9317 2.9386 3.2122 3.2423 3.5274 3.5764 3.7219 3.7590 7.2432 7.2526 7.5066 7.5112 7.5450 7.5602 8.1685 8.1842 k = 0.3984 0.4993 0.1748 ( 5860 PWs) bands (ev): -8.0926 -8.0922 -7.9979 -7.9979 -7.5305 -7.5305 -7.3785 -7.3778 -1.8972 -1.8906 -1.8715 -1.8249 -1.6237 -1.5717 -1.5410 -1.5147 -1.4828 -1.4740 -0.5924 -0.5358 -0.1689 -0.1578 0.6430 0.6788 1.5647 1.6706 1.8123 1.8981 1.9384 1.9952 2.2972 2.4034 2.7131 2.7564 2.9104 2.9166 3.1977 3.2197 3.5380 3.5880 3.7403 3.7794 7.2780 7.2874 7.5698 7.5769 7.6186 7.6316 8.2405 8.2556 k = 0.3899 0.5112 0.1894 ( 5851 PWs) bands (ev): -8.0815 -8.0810 -7.9890 -7.9890 -7.5530 -7.5530 -7.3775 -7.3767 -1.8990 -1.8913 -1.8702 -1.8244 -1.6261 -1.5715 -1.5390 -1.5138 -1.4810 -1.4726 -0.5744 -0.5147 -0.1458 -0.1333 0.6035 0.6406 1.5335 1.6390 1.8004 1.8906 1.9283 1.9910 2.2765 2.3832 2.7039 2.7370 2.8838 2.9061 3.1765 3.1921 3.5529 3.6031 3.7603 3.8008 7.3160 7.3251 7.6312 7.6412 7.6978 7.7122 8.3159 8.3313 k = 0.3815 0.5230 0.2039 ( 5847 PWs) bands (ev): -8.0698 -8.0693 -7.9797 -7.9797 -7.5763 -7.5762 -7.3764 -7.3756 -1.9010 -1.8913 -1.8689 -1.8240 -1.6279 -1.5711 -1.5372 -1.5127 -1.4795 -1.4715 -0.5586 -0.4964 -0.1190 -0.1053 0.5644 0.6027 1.5020 1.6068 1.7869 1.8791 1.9173 1.9828 2.2604 2.3649 2.6902 2.7167 2.8595 2.9010 3.1499 3.1628 3.5704 3.6201 3.7814 3.8229 7.3570 7.3658 7.6925 7.7035 7.7823 7.7988 8.3935 8.4103 k = 0.3730 0.5349 0.2185 ( 5855 PWs) bands (ev): -8.0576 -8.0571 -7.9702 -7.9702 -7.6001 -7.6000 -7.3753 -7.3745 -1.9030 -1.8910 -1.8678 -1.8236 -1.6291 -1.5705 -1.5357 -1.5112 -1.4782 -1.4705 -0.5455 -0.4815 -0.0886 -0.0739 0.5260 0.5653 1.4705 1.5742 1.7721 1.8640 1.9056 1.9711 2.2482 2.3478 2.6678 2.7002 2.8394 2.8996 3.1194 3.1340 3.5889 3.6377 3.8034 3.8455 7.4009 7.4093 7.7540 7.7646 7.8707 7.8891 8.4720 8.4913 k = 0.3645 0.5467 0.2331 ( 5843 PWs) bands (ev): -8.0451 -8.0446 -7.9606 -7.9606 -7.6241 -7.6240 -7.3742 -7.3733 -1.9047 -1.8905 -1.8666 -1.8232 -1.6298 -1.5698 -1.5344 -1.5093 -1.4771 -1.4696 -0.5354 -0.4704 -0.0548 -0.0393 0.4890 0.5290 1.4393 1.5414 1.7563 1.8457 1.8931 1.9570 2.2384 2.3308 2.6394 2.6858 2.8254 2.8997 3.0890 3.1064 3.6074 3.6549 3.8260 3.8681 7.4475 7.4555 7.8154 7.8251 7.9613 7.9814 8.5495 8.5709 k = 0.3561 0.5586 0.2476 ( 5837 PWs) bands (ev): -8.0326 -8.0321 -7.9510 -7.9510 -7.6477 -7.6475 -7.3731 -7.3721 -1.9061 -1.8899 -1.8654 -1.8229 -1.6300 -1.5689 -1.5332 -1.5072 -1.4763 -1.4687 -0.5285 -0.4631 -0.0182 -0.0021 0.4540 0.4942 1.4084 1.5085 1.7398 1.8253 1.8802 1.9416 2.2293 2.3125 2.6094 2.6705 2.8182 2.8980 3.0632 3.0805 3.6249 3.6707 3.8487 3.8906 7.4968 7.5042 7.8765 7.8849 8.0527 8.0743 8.6225 8.6419 k = 0.3476 0.5705 0.2622 ( 5847 PWs) bands (ev): -8.0204 -8.0200 -7.9417 -7.9416 -7.6703 -7.6702 -7.3720 -7.3710 -1.9073 -1.8892 -1.8642 -1.8225 -1.6297 -1.5680 -1.5322 -1.5049 -1.4759 -1.4678 -0.5247 -0.4597 0.0200 0.0369 0.4216 0.4618 1.3781 1.4758 1.7231 1.8034 1.8674 1.9259 2.2190 2.2919 2.5799 2.6544 2.8173 2.8906 3.0467 3.0577 3.6407 3.6847 3.8711 3.9125 7.5485 7.5552 7.9369 7.9441 8.1430 8.1657 8.6821 8.6968 k = 0.3392 0.5823 0.2768 ( 5847 PWs) bands (ev): -8.0094 -8.0090 -7.9325 -7.9324 -7.6912 -7.6910 -7.3708 -7.3698 -1.9081 -1.8884 -1.8630 -1.8220 -1.6289 -1.5670 -1.5312 -1.5024 -1.4757 -1.4669 -0.5241 -0.4601 0.0584 0.0763 0.3933 0.4326 1.3483 1.4432 1.7066 1.7810 1.8552 1.9106 2.2053 2.2682 2.5519 2.6385 2.8213 2.8756 3.0373 3.0444 3.6544 3.6964 3.8929 3.9335 7.6025 7.6085 7.9963 8.0022 8.2298 8.2535 8.7153 8.7430 k = 0.3307 0.5942 0.2913 ( 5851 PWs) bands (ev): -8.0005 -8.0002 -7.9235 -7.9232 -7.7094 -7.7092 -7.3697 -7.3686 -1.9086 -1.8876 -1.8617 -1.8216 -1.6276 -1.5659 -1.5303 -1.4999 -1.4759 -1.4661 -0.5265 -0.4639 0.0943 0.1139 0.3714 0.4083 1.3193 1.4109 1.6905 1.7589 1.8443 1.8965 2.1870 2.2416 2.5255 2.6233 2.8286 2.8557 3.0244 3.0514 3.6656 3.7054 3.9136 3.9533 7.6586 7.6638 8.0541 8.0589 8.3098 8.3349 8.7366 8.7756 k = 0.3222 0.6060 0.3059 ( 5857 PWs) bands (ev): -7.9956 -7.9954 -7.9139 -7.9135 -7.7237 -7.7235 -7.3686 -7.3675 -1.9087 -1.8867 -1.8603 -1.8212 -1.6259 -1.5649 -1.5293 -1.4973 -1.4763 -1.4652 -0.5318 -0.4711 0.1238 0.1459 0.3596 0.3919 1.2910 1.3792 1.6751 1.7377 1.8351 1.8839 2.1631 2.2125 2.5006 2.6083 2.8289 2.8446 3.0172 3.0674 3.6738 3.7114 3.9329 3.9716 7.7165 7.7209 8.1098 8.1138 8.3783 8.4073 8.7570 8.7972 k = 0.3138 0.6179 0.3205 ( 5857 PWs) bands (ev): -7.9962 -7.9961 -7.9030 -7.9025 -7.7333 -7.7330 -7.3675 -7.3664 -1.9085 -1.8858 -1.8588 -1.8207 -1.6238 -1.5638 -1.5283 -1.4947 -1.4770 -1.4644 -0.5397 -0.4813 0.1415 0.1675 0.3633 0.3875 1.2636 1.3483 1.6603 1.7179 1.8281 1.8733 2.1337 2.1814 2.4768 2.5924 2.8128 2.8550 3.0167 3.0891 3.6789 3.7143 3.9503 3.9882 7.7761 7.7797 8.1629 8.1663 8.4306 8.4680 8.7794 8.8168 k = 0.3138 0.6179 0.3205 ( 5857 PWs) bands (ev): -7.9962 -7.9961 -7.9030 -7.9025 -7.7333 -7.7330 -7.3675 -7.3664 -1.9085 -1.8858 -1.8588 -1.8207 -1.6238 -1.5638 -1.5283 -1.4947 -1.4770 -1.4644 -0.5397 -0.4813 0.1415 0.1675 0.3633 0.3875 1.2636 1.3483 1.6603 1.7179 1.8281 1.8733 2.1337 2.1814 2.4768 2.5924 2.8128 2.8550 3.0167 3.0891 3.6789 3.7143 3.9503 3.9882 7.7761 7.7797 8.1629 8.1663 8.4306 8.4680 8.7794 8.8168 k = 0.2941 0.6123 0.3273 ( 5852 PWs) bands (ev): -8.0017 -8.0016 -7.8955 -7.8949 -7.7344 -7.7341 -7.3672 -7.3661 -1.9082 -1.8854 -1.8579 -1.8205 -1.6226 -1.5633 -1.5278 -1.4934 -1.4774 -1.4640 -0.5453 -0.4885 0.1447 0.1729 0.3722 0.3923 1.2480 1.3310 1.6521 1.7076 1.8261 1.8716 2.1204 2.1688 2.4670 2.5850 2.8073 2.8607 3.0202 3.1002 3.6737 3.7081 3.9629 3.9989 7.8081 7.8112 8.1857 8.1924 8.4496 8.4917 8.7843 8.8199 k = 0.2745 0.6067 0.3342 ( 5850 PWs) bands (ev): -8.0117 -8.0116 -7.8875 -7.8869 -7.7304 -7.7301 -7.3675 -7.3664 -1.9077 -1.8850 -1.8568 -1.8203 -1.6211 -1.5629 -1.5272 -1.4919 -1.4778 -1.4637 -0.5536 -0.4990 0.1467 0.1763 0.3858 0.4028 1.2271 1.3086 1.6401 1.6937 1.8256 1.8755 2.1100 2.1622 2.4603 2.5795 2.8048 2.8650 3.0273 3.1106 3.6570 3.6910 3.9817 4.0140 7.8468 7.8495 8.2089 8.2198 8.4669 8.5130 8.7803 8.8124 k = 0.2549 0.6011 0.3410 ( 5854 PWs) bands (ev): -8.0235 -8.0234 -7.8821 -7.8816 -7.7210 -7.7206 -7.3685 -7.3673 -1.9071 -1.8847 -1.8555 -1.8200 -1.6194 -1.5625 -1.5265 -1.4905 -1.4783 -1.4633 -0.5642 -0.5126 0.1493 0.1791 0.4020 0.4166 1.2020 1.2826 1.6232 1.6748 1.8277 1.8838 2.1027 2.1622 2.4577 2.5769 2.8042 2.8677 3.0377 3.1205 3.6321 3.6669 4.0020 4.0301 7.8916 7.8948 8.2336 8.2478 8.4841 8.5327 8.7725 8.8004 k = 0.2353 0.5956 0.3479 ( 5847 PWs) bands (ev): -8.0357 -8.0356 -7.8803 -7.8798 -7.7067 -7.7062 -7.3701 -7.3690 -1.9062 -1.8845 -1.8538 -1.8198 -1.6174 -1.5622 -1.5256 -1.4890 -1.4787 -1.4630 -0.5769 -0.5288 0.1540 0.1825 0.4192 0.4320 1.1744 1.2547 1.6003 1.6507 1.8336 1.8946 2.0991 2.1679 2.4598 2.5778 2.8042 2.8688 3.0509 3.1305 3.6020 3.6385 4.0203 4.0445 7.9417 7.9469 8.2601 8.2761 8.5016 8.5512 8.7648 8.7888 k = 0.2157 0.5900 0.3547 ( 5859 PWs) bands (ev): -8.0477 -8.0476 -7.8814 -7.8810 -7.6887 -7.6882 -7.3725 -7.3713 -1.9052 -1.8844 -1.8520 -1.8197 -1.6152 -1.5622 -1.5245 -1.4877 -1.4790 -1.4627 -0.5911 -0.5470 0.1612 0.1874 0.4364 0.4476 1.1458 1.2262 1.5715 1.6223 1.8429 1.9062 2.1002 2.1779 2.4667 2.5826 2.8033 2.8684 3.0668 3.1411 3.5685 3.6074 4.0346 4.0555 7.9968 8.0049 8.2883 8.3049 8.5194 8.5682 8.7602 8.7805 k = 0.1961 0.5844 0.3616 ( 5864 PWs) bands (ev): -8.0591 -8.0589 -7.8844 -7.8841 -7.6685 -7.6679 -7.3757 -7.3745 -1.9042 -1.8844 -1.8499 -1.8196 -1.6127 -1.5624 -1.5231 -1.4867 -1.4790 -1.4625 -0.6064 -0.5664 0.1707 0.1940 0.4527 0.4624 1.1177 1.1986 1.5378 1.5903 1.8547 1.9176 2.1061 2.1905 2.4784 2.5912 2.8007 2.8668 3.0848 3.1531 3.5329 3.5748 4.0438 4.0621 8.0559 8.0680 8.3183 8.3346 8.5365 8.5824 8.7607 8.7778 k = 0.1765 0.5788 0.3685 ( 5858 PWs) bands (ev): -8.0696 -8.0695 -7.8885 -7.8882 -7.6471 -7.6464 -7.3797 -7.3786 -1.9029 -1.8846 -1.8476 -1.8196 -1.6101 -1.5629 -1.5215 -1.4862 -1.4785 -1.4623 -0.6221 -0.5864 0.1823 0.2022 0.4675 0.4758 1.0914 1.1727 1.5009 1.5559 1.8677 1.9279 2.1168 2.2045 2.4943 2.6033 2.7959 2.8640 3.1045 3.1672 3.4962 3.5417 4.0473 4.0641 8.1181 8.1350 8.3500 8.3659 8.5514 8.5929 8.7671 8.7824 k = 0.1569 0.5732 0.3753 ( 5858 PWs) bands (ev): -8.0793 -8.0792 -7.8931 -7.8928 -7.6252 -7.6245 -7.3847 -7.3836 -1.9016 -1.8849 -1.8452 -1.8197 -1.6072 -1.5638 -1.5196 -1.4863 -1.4776 -1.4623 -0.6377 -0.6063 0.1953 0.2117 0.4804 0.4875 1.0680 1.1493 1.4629 1.5199 1.8810 1.9365 2.1314 2.2191 2.5136 2.6180 2.7893 2.8602 3.1251 3.1836 3.4591 3.5089 4.0454 4.0616 8.1815 8.2043 8.3835 8.3998 8.5633 8.5994 8.7788 8.7947 k = 0.1373 0.5677 0.3822 ( 5858 PWs) bands (ev): -8.0879 -8.0878 -7.8977 -7.8975 -7.6034 -7.6027 -7.3907 -7.3895 -1.9003 -1.8853 -1.8427 -1.8199 -1.6042 -1.5649 -1.5174 -1.4870 -1.4763 -1.4623 -0.6526 -0.6254 0.2092 0.2221 0.4912 0.4972 1.0484 1.1286 1.4254 1.4835 1.8937 1.9430 2.1492 2.2335 2.5351 2.6340 2.7820 2.8556 3.1455 3.2021 3.4226 3.4776 4.0388 4.0548 8.2438 8.2732 8.4191 8.4371 8.5720 8.6031 8.7949 8.8126 k = 0.1177 0.5621 0.3890 ( 5854 PWs) bands (ev): -8.0955 -8.0954 -7.9020 -7.9018 -7.5822 -7.5814 -7.3976 -7.3965 -1.8989 -1.8858 -1.8402 -1.8203 -1.6010 -1.5664 -1.5150 -1.4880 -1.4748 -1.4625 -0.6664 -0.6433 0.2232 0.2328 0.4998 0.5049 1.0332 1.1107 1.3899 1.4477 1.9053 1.9475 2.1692 2.2473 2.5573 2.6492 2.7763 2.8507 3.1643 3.2218 3.3878 3.4487 4.0285 4.0444 8.3018 8.3370 8.4592 8.4783 8.5788 8.6058 8.8136 8.8332 k = 0.0980 0.5565 0.3959 ( 5850 PWs) bands (ev): -8.1020 -8.1019 -7.9060 -7.9058 -7.5617 -7.5609 -7.4055 -7.4044 -1.8975 -1.8864 -1.8377 -1.8208 -1.5977 -1.5682 -1.5125 -1.4893 -1.4733 -1.4628 -0.6785 -0.6595 0.2366 0.2434 0.5064 0.5106 1.0228 1.0953 1.3582 1.4135 1.9154 1.9502 2.1904 2.2599 2.5786 2.6605 2.7748 2.8464 3.1799 3.2406 3.3566 3.4238 4.0160 4.0313 8.3523 8.3891 8.5066 8.5214 8.5859 8.6098 8.8332 8.8538 k = 0.0784 0.5509 0.4027 ( 5856 PWs) bands (ev): -8.1073 -8.1072 -7.9093 -7.9092 -7.5424 -7.5415 -7.4144 -7.4133 -1.8962 -1.8872 -1.8352 -1.8216 -1.5944 -1.5703 -1.5099 -1.4909 -1.4718 -1.4632 -0.6886 -0.6735 0.2487 0.2532 0.5112 0.5145 1.0173 1.0817 1.3317 1.3819 1.9240 1.9514 2.2117 2.2706 2.5973 2.6653 2.7801 2.8433 3.1910 3.2533 3.3342 3.4041 4.0027 4.0168 8.3930 8.4262 8.5542 8.5625 8.5975 8.6214 8.8520 8.8724 k = 0.0588 0.5453 0.4096 ( 5854 PWs) bands (ev): -8.1115 -8.1114 -7.9120 -7.9119 -7.5244 -7.5236 -7.4240 -7.4229 -1.8948 -1.8880 -1.8329 -1.8226 -1.5910 -1.5727 -1.5072 -1.4928 -1.4703 -1.4638 -0.6964 -0.6852 0.2588 0.2616 0.5145 0.5169 1.0163 1.0694 1.3118 1.3537 1.9311 1.9512 2.2320 2.2783 2.6126 2.6636 2.7915 2.8414 3.1972 3.2514 3.3286 3.3899 3.9905 4.0025 8.4237 8.4501 8.5747 8.5929 8.6284 8.6510 8.8690 8.8879 k = 0.0392 0.5398 0.4164 ( 5854 PWs) bands (ev): -8.1145 -8.1144 -7.9139 -7.9138 -7.5084 -7.5076 -7.4338 -7.4329 -1.8935 -1.8889 -1.8307 -1.8238 -1.5877 -1.5753 -1.5045 -1.4948 -1.4689 -1.4645 -0.7017 -0.6942 0.2665 0.2680 0.5166 0.5182 1.0195 1.0575 1.2996 1.3300 1.9369 1.9501 2.2501 2.2822 2.6245 2.6579 2.8058 2.8398 3.2004 3.2374 3.3376 3.3798 3.9810 3.9898 8.4455 8.4638 8.5849 8.5989 8.6729 8.6861 8.8839 8.8990 k = 0.0196 0.5342 0.4233 ( 5858 PWs) bands (ev): -8.1163 -8.1162 -7.9151 -7.9150 -7.4958 -7.4952 -7.4425 -7.4419 -1.8922 -1.8900 -1.8287 -1.8252 -1.5844 -1.5782 -1.5019 -1.4970 -1.4676 -1.4654 -0.7041 -0.7004 0.2714 0.2720 0.5179 0.5186 1.0262 1.0461 1.2958 1.3118 1.9415 1.9480 2.2649 2.2814 2.6340 2.6504 2.8194 2.8366 3.2038 3.2220 3.3504 3.3713 3.9757 3.9803 8.4598 8.4692 8.5922 8.5996 8.7049 8.7109 8.8960 8.9046 k = 0.0000 0.5286 0.4302 ( 5862 PWs) bands (ev): -8.1169 -8.1169 -7.9155 -7.9155 -7.4902 -7.4902 -7.4463 -7.4463 -1.8911 -1.8911 -1.8268 -1.8268 -1.5812 -1.5812 -1.4994 -1.4994 -1.4664 -1.4664 -0.7037 -0.7037 0.2732 0.2732 0.5185 0.5185 1.0353 1.0353 1.3001 1.3001 1.9452 1.9452 2.2756 2.2756 2.6424 2.6424 2.8300 2.8300 3.2105 3.2105 3.3619 3.3619 3.9754 3.9754 8.4676 8.4676 8.5972 8.5972 8.7180 8.7180 8.9035 8.9035 k = 0.0000 0.5286 0.4302 ( 5862 PWs) bands (ev): -8.1169 -8.1169 -7.9155 -7.9155 -7.4902 -7.4902 -7.4463 -7.4463 -1.8911 -1.8911 -1.8268 -1.8268 -1.5812 -1.5812 -1.4994 -1.4994 -1.4664 -1.4664 -0.7037 -0.7037 0.2732 0.2732 0.5185 0.5185 1.0353 1.0353 1.3001 1.3001 1.9452 1.9452 2.2756 2.2756 2.6424 2.6424 2.8300 2.8300 3.2105 3.2105 3.3619 3.3619 3.9754 3.9754 8.4676 8.4676 8.5972 8.5972 8.7180 8.7180 8.9035 8.9035 k = 0.0086 0.5165 0.4450 ( 5860 PWs) bands (ev): -8.1164 -8.1164 -7.9151 -7.9151 -7.4906 -7.4906 -7.4466 -7.4465 -1.8915 -1.8904 -1.8279 -1.8257 -1.5824 -1.5798 -1.5002 -1.4984 -1.4671 -1.4657 -0.7064 -0.7038 0.2662 0.2692 0.5127 0.5176 1.0358 1.0426 1.2989 1.3075 1.9416 1.9453 2.2755 2.2797 2.6308 2.6537 2.8242 2.8467 3.2099 3.2141 3.3580 3.3678 3.9738 3.9759 8.4627 8.4678 8.5890 8.5960 8.6984 8.7152 8.9072 8.9241 k = 0.0172 0.5045 0.4598 ( 5858 PWs) bands (ev): -8.1151 -8.1151 -7.9141 -7.9141 -7.4918 -7.4918 -7.4474 -7.4474 -1.8918 -1.8896 -1.8288 -1.8245 -1.5833 -1.5783 -1.5010 -1.4974 -1.4677 -1.4648 -0.7119 -0.7066 0.2488 0.2545 0.5006 0.5097 1.0437 1.0569 1.3038 1.3208 1.9346 1.9423 2.2797 2.2878 2.6216 2.6628 2.8305 2.8712 3.2124 3.2207 3.3561 3.3758 3.9711 3.9753 8.4520 8.4629 8.5726 8.5861 8.6670 8.6918 8.9329 8.9589 k = 0.0259 0.4924 0.4747 ( 5860 PWs) bands (ev): -8.1129 -8.1129 -7.9125 -7.9124 -7.4937 -7.4937 -7.4489 -7.4488 -1.8919 -1.8886 -1.8297 -1.8234 -1.5841 -1.5766 -1.5017 -1.4964 -1.4682 -1.4639 -0.7198 -0.7120 0.2225 0.2304 0.4825 0.4948 1.0577 1.0764 1.3150 1.3400 1.9244 1.9364 2.2887 2.2997 2.6171 2.6701 2.8475 2.9010 3.2175 3.2302 3.3566 3.3865 3.9673 3.9737 8.4340 8.4508 8.5499 8.5695 8.6334 8.6594 8.9699 8.9997 k = 0.0345 0.4803 0.4895 ( 5860 PWs) bands (ev): -8.1099 -8.1098 -7.9101 -7.9101 -7.4964 -7.4964 -7.4509 -7.4507 -1.8918 -1.8874 -1.8305 -1.8221 -1.5847 -1.5747 -1.5022 -1.4955 -1.4685 -1.4630 -0.7300 -0.7199 0.1892 0.1986 0.4587 0.4731 1.0754 1.0988 1.3320 1.3647 1.9120 1.9287 2.3026 2.3156 2.6181 2.6777 2.8716 2.9337 3.2249 3.2420 3.3601 3.4004 3.9625 3.9712 8.4073 8.4290 8.5226 8.5475 8.6040 8.6275 9.0112 9.0425 k = 0.0431 0.4682 0.5043 ( 5860 PWs) bands (ev): -8.1059 -8.1058 -7.9072 -7.9071 -7.4999 -7.4999 -7.4534 -7.4532 -1.8915 -1.8861 -1.8313 -1.8209 -1.5850 -1.5727 -1.5026 -1.4946 -1.4686 -1.4621 -0.7422 -0.7299 0.1507 0.1611 0.4297 0.4453 1.0944 1.1217 1.3548 1.3944 1.8984 1.9203 2.3216 2.3357 2.6247 2.6878 2.8990 2.9674 3.2339 3.2554 3.3679 3.4181 3.9566 3.9677 8.3722 8.3966 8.4909 8.5178 8.5832 8.6029 9.0534 9.0852 k = 0.0517 0.4562 0.5192 ( 5856 PWs) bands (ev): -8.1012 -8.1011 -7.9036 -7.9034 -7.5042 -7.5041 -7.4565 -7.4563 -1.8910 -1.8846 -1.8319 -1.8197 -1.5852 -1.5705 -1.5028 -1.4938 -1.4686 -1.4611 -0.7560 -0.7417 0.1085 0.1194 0.3960 0.4122 1.1122 1.1428 1.3828 1.4286 1.8854 1.9130 2.3453 2.3598 2.6363 2.7014 2.9271 3.0009 3.2438 3.2692 3.3818 3.4403 3.9498 3.9634 8.3306 8.3558 8.4551 8.4805 8.5706 8.5876 9.0947 9.1266 k = 0.0603 0.4441 0.5340 ( 5858 PWs) bands (ev): -8.0956 -8.0954 -7.8993 -7.8992 -7.5092 -7.5091 -7.4601 -7.4598 -1.8903 -1.8830 -1.8324 -1.8185 -1.5852 -1.5682 -1.5028 -1.4931 -1.4683 -1.4601 -0.7709 -0.7549 0.0639 0.0751 0.3581 0.3746 1.1265 1.1597 1.4155 1.4668 1.8750 1.9085 2.3736 2.3879 2.6520 2.7188 2.9542 3.0332 3.2537 3.2823 3.4029 3.4670 3.9421 3.9585 8.2844 8.3096 8.4169 8.4392 8.5629 8.5787 9.1339 9.1656 k = 0.0690 0.4320 0.5488 ( 5858 PWs) bands (ev): -8.0891 -8.0890 -7.8945 -7.8943 -7.5149 -7.5149 -7.4642 -7.4639 -1.8895 -1.8813 -1.8328 -1.8174 -1.5849 -1.5658 -1.5027 -1.4927 -1.4677 -1.4592 -0.7867 -0.7692 0.0179 0.0291 0.3168 0.3333 1.1357 1.1707 1.4523 1.5082 1.8690 1.9082 2.4062 2.4198 2.6703 2.7394 2.9792 3.0638 3.2633 3.2947 3.4313 3.4982 3.9338 3.9531 8.2352 8.2608 8.3780 8.3970 8.5572 8.5727 9.1702 9.2016 k = 0.0776 0.4200 0.5637 ( 5852 PWs) bands (ev): -8.0819 -8.0818 -7.8891 -7.8889 -7.5214 -7.5213 -7.4688 -7.4685 -1.8884 -1.8795 -1.8331 -1.8163 -1.5844 -1.5633 -1.5024 -1.4925 -1.4670 -1.4582 -0.8028 -0.7840 -0.0288 -0.0177 0.2728 0.2892 1.1385 1.1744 1.4926 1.5522 1.8689 1.9134 2.4425 2.4553 2.6901 2.7624 3.0021 3.0927 3.2722 3.3067 3.4658 3.5333 3.9249 3.9475 8.1844 8.2110 8.3396 8.3556 8.5516 8.5671 9.2025 9.2335 k = 0.0862 0.4079 0.5785 ( 5852 PWs) bands (ev): -8.0740 -8.0738 -7.8832 -7.8830 -7.5286 -7.5285 -7.4739 -7.4736 -1.8872 -1.8776 -1.8334 -1.8153 -1.5838 -1.5607 -1.5019 -1.4925 -1.4660 -1.4573 -0.8190 -0.7991 -0.0754 -0.0647 0.2266 0.2428 1.1345 1.1705 1.5359 1.5984 1.8754 1.9243 2.4822 2.4943 2.7102 2.7867 3.0230 3.1201 3.2810 3.3191 3.5047 3.5712 3.9158 3.9418 8.1329 8.1610 8.3024 8.3160 8.5448 8.5602 9.2302 9.2606 k = 0.0948 0.3958 0.5933 ( 5850 PWs) bands (ev): -8.0653 -8.0651 -7.8767 -7.8765 -7.5365 -7.5364 -7.4794 -7.4791 -1.8859 -1.8757 -1.8335 -1.8144 -1.5830 -1.5581 -1.5013 -1.4927 -1.4649 -1.4565 -0.8346 -0.8140 -0.1216 -0.1114 0.1790 0.1950 1.1241 1.1592 1.5815 1.6462 1.8884 1.9408 2.5248 2.5364 2.7296 2.8109 3.0426 3.1463 3.2901 3.3321 3.5460 3.6108 3.9068 3.9364 8.0817 8.1117 8.2669 8.2789 8.5357 8.5509 9.2528 9.2822 k = 0.1034 0.3837 0.6082 ( 5848 PWs) bands (ev): -8.0558 -8.0556 -7.8698 -7.8696 -7.5451 -7.5450 -7.4854 -7.4850 -1.8845 -1.8736 -1.8335 -1.8137 -1.5820 -1.5554 -1.5004 -1.4931 -1.4636 -1.4557 -0.8495 -0.8282 -0.1671 -0.1574 0.1305 0.1462 1.1079 1.1416 1.6289 1.6952 1.9072 1.9622 2.5696 2.5809 2.7475 2.8334 3.0618 3.1717 3.3000 3.3458 3.5884 3.6510 3.8983 3.9317 8.0314 8.0635 8.2330 8.2446 8.5236 8.5380 9.2703 9.2981 k = 0.1121 0.3717 0.6230 ( 5848 PWs) bands (ev): -8.0457 -8.0455 -7.8625 -7.8622 -7.5543 -7.5542 -7.4918 -7.4914 -1.8830 -1.8715 -1.8335 -1.8131 -1.5809 -1.5527 -1.4995 -1.4938 -1.4623 -1.4551 -0.8632 -0.8416 -0.2114 -0.2024 0.0816 0.0971 1.0871 1.1189 1.6777 1.7449 1.9309 1.9876 2.6157 2.6268 2.7640 2.8531 3.0816 3.1968 3.3108 3.3598 3.6304 3.6906 3.8909 3.9281 7.9825 8.0166 8.2008 8.2135 8.5079 8.5208 9.2834 9.3093 k = 0.1207 0.3596 0.6378 ( 5856 PWs) bands (ev): -8.0350 -8.0348 -7.8547 -7.8544 -7.5641 -7.5639 -7.4986 -7.4982 -1.8814 -1.8693 -1.8334 -1.8126 -1.5798 -1.5501 -1.4984 -1.4945 -1.4611 -1.4545 -0.8754 -0.8536 -0.2545 -0.2463 0.0329 0.0480 1.0629 1.0925 1.7273 1.7947 1.9583 2.0162 2.6610 2.6726 2.7804 2.8689 3.1028 3.2217 3.3226 3.3739 3.6709 3.7282 3.8853 3.9261 7.9354 7.9715 8.1703 8.1853 8.4882 8.4991 9.2933 9.3173 k = 0.1293 0.3475 0.6527 ( 5856 PWs) bands (ev): -8.0237 -8.0235 -7.8467 -7.8464 -7.5744 -7.5742 -7.5058 -7.5054 -1.8798 -1.8670 -1.8333 -1.8123 -1.5785 -1.5475 -1.4974 -1.4952 -1.4599 -1.4540 -0.8859 -0.8640 -0.2962 -0.2889 -0.0152 -0.0004 1.0365 1.0637 1.7771 1.8441 1.9889 2.0471 2.7004 2.7168 2.8006 2.8812 3.1258 3.2467 3.3353 3.3877 3.7088 3.7626 3.8827 3.9263 7.8905 7.9282 8.1418 8.1597 8.4646 8.4729 9.3013 9.3238 k = 0.1379 0.3355 0.6675 ( 5852 PWs) bands (ev): -8.0118 -8.0116 -7.8384 -7.8381 -7.5851 -7.5850 -7.5133 -7.5129 -1.8781 -1.8646 -1.8331 -1.8122 -1.5773 -1.5448 -1.4974 -1.4950 -1.4588 -1.4537 -0.8944 -0.8725 -0.3365 -0.3300 -0.0622 -0.0479 1.0088 1.0337 1.8267 1.8921 2.0222 2.0800 2.7256 2.7583 2.8301 2.8915 3.1506 3.2716 3.3489 3.4009 3.7428 3.7920 3.8845 3.9292 7.8480 7.8871 8.1152 8.1364 8.4374 8.4426 9.3078 9.3291 k = 0.1466 0.3234 0.6823 ( 5848 PWs) bands (ev): -7.9995 -7.9992 -7.8300 -7.8296 -7.5963 -7.5961 -7.5211 -7.5207 -1.8765 -1.8621 -1.8329 -1.8122 -1.5761 -1.5422 -1.4983 -1.4937 -1.4579 -1.4534 -0.9006 -0.8790 -0.3754 -0.3696 -0.1078 -0.0939 0.9806 1.0034 1.8753 1.9380 2.0579 2.1144 2.7358 2.7922 2.8684 2.9043 3.1770 3.2962 3.3634 3.4135 3.7718 3.8152 3.8921 3.9354 7.8082 7.8482 8.0906 8.1152 8.4068 8.4095 9.3125 9.3323 k = 0.1552 0.3113 0.6972 ( 5852 PWs) bands (ev): -7.9867 -7.9864 -7.8215 -7.8211 -7.6077 -7.6075 -7.5292 -7.5288 -1.8749 -1.8596 -1.8328 -1.8124 -1.5749 -1.5396 -1.4995 -1.4923 -1.4574 -1.4533 -0.9045 -0.8831 -0.4130 -0.4075 -0.1515 -0.1381 0.9529 0.9735 1.9224 1.9810 2.0960 2.1504 2.7362 2.8119 2.9083 2.9258 3.2049 3.3200 3.3789 3.4258 3.7948 3.8324 3.9053 3.9449 7.7714 7.8117 8.0677 8.0957 8.3720 8.3760 9.3153 9.3329 k = 0.1638 0.2993 0.7120 ( 5852 PWs) bands (ev): -7.9736 -7.9733 -7.8131 -7.8127 -7.6192 -7.6191 -7.5375 -7.5371 -1.8735 -1.8570 -1.8327 -1.8128 -1.5739 -1.5371 -1.5008 -1.4907 -1.4572 -1.4532 -0.9059 -0.8847 -0.4495 -0.4438 -0.1928 -0.1799 0.9260 0.9446 1.9672 2.0205 2.1363 2.1879 2.7308 2.8167 2.9417 2.9589 3.2343 3.3427 3.3957 3.4385 3.8115 3.8463 3.9216 3.9572 7.7375 7.7777 8.0468 8.0777 8.3348 8.3424 9.3169 9.3320 k = 0.1724 0.2872 0.7268 ( 5852 PWs) bands (ev): -7.9602 -7.9599 -7.8050 -7.8046 -7.6307 -7.6306 -7.5460 -7.5455 -1.8721 -1.8543 -1.8326 -1.8133 -1.5731 -1.5346 -1.5020 -1.4891 -1.4573 -1.4531 -0.9047 -0.8838 -0.4850 -0.4785 -0.2314 -0.2191 0.9006 0.9173 2.0091 2.0566 2.1781 2.2268 2.7212 2.8113 2.9685 2.9945 3.2655 3.3641 3.4138 3.4524 3.8234 3.8583 3.9385 3.9707 7.7070 7.7463 8.0276 8.0611 8.2973 8.3086 9.3187 9.3315 k = 0.1810 0.2751 0.7417 ( 5850 PWs) bands (ev): -7.9466 -7.9463 -7.7974 -7.7970 -7.6420 -7.6418 -7.5545 -7.5540 -1.8707 -1.8515 -1.8325 -1.8141 -1.5725 -1.5322 -1.5031 -1.4876 -1.4579 -1.4531 -0.9008 -0.8803 -0.5194 -0.5116 -0.2670 -0.2551 0.8770 0.8919 2.0474 2.0893 2.2208 2.2670 2.7086 2.8001 2.9890 3.0253 3.2983 3.3847 3.4331 3.4680 3.8325 3.8686 3.9545 3.9837 7.6798 7.7177 8.0103 8.0457 8.2607 8.2753 9.3216 9.3324 k = 0.1897 0.2630 0.7565 ( 5850 PWs) bands (ev): -7.9330 -7.9326 -7.7906 -7.7901 -7.6526 -7.6524 -7.5629 -7.5625 -1.8695 -1.8488 -1.8325 -1.8150 -1.5720 -1.5298 -1.5041 -1.4861 -1.4587 -1.4531 -0.8944 -0.8743 -0.5529 -0.5434 -0.2991 -0.2876 0.8556 0.8688 2.0817 2.1191 2.2636 2.3079 2.6936 2.7851 3.0026 3.0488 3.3320 3.4055 3.4530 3.4854 3.8399 3.8770 3.9688 3.9950 7.6561 7.6918 7.9951 8.0315 8.2260 8.2434 9.3261 9.3352 k = 0.1983 0.2510 0.7713 ( 5852 PWs) bands (ev): -7.9194 -7.9191 -7.7850 -7.7845 -7.6622 -7.6620 -7.5712 -7.5708 -1.8685 -1.8460 -1.8326 -1.8160 -1.5718 -1.5277 -1.5049 -1.4848 -1.4597 -1.4532 -0.8855 -0.8659 -0.5852 -0.5738 -0.3274 -0.3163 0.8366 0.8482 2.1117 2.1459 2.3059 2.3488 2.6767 2.7674 3.0098 3.0643 3.3646 3.4276 3.4726 3.5044 3.8462 3.8834 3.9810 4.0041 7.6360 7.6688 7.9820 8.0184 8.1943 8.2136 9.3318 9.3393 k = 0.2069 0.2389 0.7862 ( 5852 PWs) bands (ev): -7.9062 -7.9059 -7.7811 -7.7806 -7.6704 -7.6702 -7.5791 -7.5787 -1.8675 -1.8434 -1.8326 -1.8173 -1.5717 -1.5257 -1.5054 -1.4836 -1.4608 -1.4534 -0.8742 -0.8552 -0.6163 -0.6030 -0.3517 -0.3409 0.8202 0.8304 2.1373 2.1696 2.3472 2.3889 2.6581 2.7479 3.0121 3.0723 3.3938 3.4514 3.4906 3.5244 3.8516 3.8875 3.9909 4.0109 7.6195 7.6488 7.9713 8.0062 8.1666 8.1865 9.3383 9.3443 k = 0.2155 0.2268 0.8010 ( 5858 PWs) bands (ev): -7.8937 -7.8934 -7.7793 -7.7788 -7.6766 -7.6763 -7.5864 -7.5860 -1.8667 -1.8410 -1.8325 -1.8186 -1.5718 -1.5240 -1.5057 -1.4826 -1.4619 -1.4537 -0.8608 -0.8428 -0.6458 -0.6306 -0.3718 -0.3612 0.8067 0.8156 2.1584 2.1899 2.3867 2.4273 2.6383 2.7271 3.0113 3.0745 3.4178 3.4760 3.5061 3.5446 3.8563 3.8893 3.9987 4.0154 7.6067 7.6317 7.9632 7.9950 8.1436 8.1626 9.3447 9.3495 k = 0.2241 0.2148 0.8158 ( 5852 PWs) bands (ev): -7.8823 -7.8820 -7.7796 -7.7791 -7.6806 -7.6804 -7.5927 -7.5923 -1.8661 -1.8390 -1.8322 -1.8200 -1.5719 -1.5227 -1.5057 -1.4818 -1.4629 -1.4539 -0.8457 -0.8292 -0.6731 -0.6562 -0.3875 -0.3771 0.7960 0.8038 2.1751 2.2063 2.4238 2.4626 2.6174 2.7058 3.0090 3.0729 3.4360 3.4994 3.5184 3.5632 3.8607 3.8886 4.0046 4.0181 7.5974 7.6178 7.9579 7.9849 8.1262 8.1426 9.3505 9.3541 k = 0.2328 0.2027 0.8307 ( 5854 PWs) bands (ev): -7.8729 -7.8726 -7.7814 -7.7810 -7.6827 -7.6825 -7.5977 -7.5974 -1.8656 -1.8376 -1.8315 -1.8215 -1.5720 -1.5218 -1.5056 -1.4813 -1.4637 -1.4541 -0.8300 -0.8160 -0.6970 -0.6787 -0.3988 -0.3884 0.7884 0.7953 2.1871 2.2184 2.4574 2.4929 2.5965 2.6853 3.0066 3.0697 3.4488 3.5186 3.5274 3.5782 3.8651 3.8858 4.0087 4.0194 7.5916 7.6071 7.9553 7.9760 8.1146 8.1268 9.3551 9.3576 k = 0.2414 0.1906 0.8455 ( 5856 PWs) bands (ev): -7.8663 -7.8662 -7.7834 -7.7831 -7.6835 -7.6834 -7.6009 -7.6006 -1.8654 -1.8368 -1.8307 -1.8227 -1.5721 -1.5212 -1.5055 -1.4810 -1.4642 -1.4543 -0.8158 -0.8060 -0.7147 -0.6955 -0.4056 -0.3953 0.7838 0.7902 2.1945 2.2259 2.4850 2.5140 2.5779 2.6688 3.0048 3.0670 3.4563 3.5309 3.5332 3.5879 3.8698 3.8814 4.0113 4.0199 7.5887 7.6000 7.9551 7.9692 8.1091 8.1158 9.3580 9.3598 k = 0.2500 0.1785 0.8603 ( 5860 PWs) bands (ev): -7.8640 -7.8638 -7.7843 -7.7841 -7.6837 -7.6836 -7.6020 -7.6018 -1.8653 -1.8366 -1.8302 -1.8232 -1.5721 -1.5210 -1.5055 -1.4809 -1.4644 -1.4543 -0.8087 -0.8030 -0.7216 -0.7022 -0.4078 -0.3975 0.7823 0.7885 2.1969 2.2284 2.4982 2.5206 2.5695 2.6621 3.0042 3.0659 3.4588 3.5339 3.5365 3.5912 3.8736 3.8776 4.0122 4.0200 7.5880 7.5974 7.9556 7.9662 8.1086 8.1107 9.3590 9.3606 k = 0.2500 0.1785 0.8603 ( 5860 PWs) bands (ev): -7.8640 -7.8638 -7.7843 -7.7841 -7.6837 -7.6836 -7.6020 -7.6018 -1.8653 -1.8366 -1.8302 -1.8232 -1.5721 -1.5210 -1.5055 -1.4809 -1.4644 -1.4543 -0.8087 -0.8030 -0.7216 -0.7022 -0.4078 -0.3975 0.7823 0.7885 2.1969 2.2284 2.4982 2.5206 2.5695 2.6621 3.0042 3.0659 3.4588 3.5339 3.5365 3.5912 3.8736 3.8776 4.0122 4.0200 7.5880 7.5974 7.9556 7.9662 8.1086 8.1107 9.3590 9.3606 k = 0.2639 0.1885 0.8481 ( 5858 PWs) bands (ev): -7.8647 -7.8646 -7.7841 -7.7838 -7.6836 -7.6835 -7.6017 -7.6014 -1.8652 -1.8367 -1.8304 -1.8230 -1.5720 -1.5212 -1.5054 -1.4810 -1.4642 -1.4543 -0.8141 -0.8066 -0.7196 -0.7004 -0.4033 -0.3931 0.7848 0.7910 2.1857 2.2153 2.5010 2.5236 2.5710 2.6573 3.0106 3.0698 3.4582 3.5227 3.5479 3.5922 3.8721 3.8796 4.0126 4.0207 7.5790 7.5886 7.9542 7.9644 8.1177 8.1204 9.3584 9.3601 k = 0.2778 0.1984 0.8359 ( 5862 PWs) bands (ev): -7.8666 -7.8664 -7.7835 -7.7832 -7.6835 -7.6833 -7.6007 -7.6004 -1.8652 -1.8371 -1.8309 -1.8224 -1.5715 -1.5216 -1.5052 -1.4814 -1.4637 -1.4541 -0.8276 -0.8170 -0.7140 -0.6952 -0.3905 -0.3806 0.7922 0.7986 2.1557 2.1815 2.4964 2.5356 2.5735 2.6477 3.0283 3.0808 3.4566 3.5110 3.5607 3.5953 3.8702 3.8833 4.0139 4.0224 7.5532 7.5628 7.9511 7.9599 8.1440 8.1475 9.3573 9.3594 k = 0.2917 0.2083 0.8238 ( 5868 PWs) bands (ev): -7.8691 -7.8689 -7.7828 -7.7825 -7.6833 -7.6831 -7.5994 -7.5991 -1.8652 -1.8376 -1.8317 -1.8217 -1.5709 -1.5224 -1.5050 -1.4820 -1.4628 -1.4538 -0.8450 -0.8321 -0.7067 -0.6884 -0.3711 -0.3614 0.8042 0.8109 2.1133 2.1356 2.4762 2.5346 2.5847 2.6475 3.0521 3.0967 3.4544 3.5001 3.5741 3.6012 3.8689 3.8876 4.0158 4.0250 7.5143 7.5238 7.9464 7.9540 8.1826 8.1895 9.3564 9.3593 k = 0.3056 0.2182 0.8116 ( 5867 PWs) bands (ev): -7.8718 -7.8716 -7.7822 -7.7819 -7.6831 -7.6829 -7.5979 -7.5976 -1.8653 -1.8382 -1.8327 -1.8208 -1.5701 -1.5234 -1.5049 -1.4827 -1.4617 -1.4534 -0.8630 -0.8487 -0.6988 -0.6813 -0.3464 -0.3370 0.8206 0.8276 2.0635 2.0835 2.4436 2.5028 2.6115 2.6617 3.0763 3.1139 3.4519 3.4899 3.5881 3.6107 3.8683 3.8922 4.0185 4.0281 7.4675 7.4763 7.9400 7.9473 8.2302 8.2419 9.3563 9.3603 k = 0.3194 0.2281 0.7994 ( 5864 PWs) bands (ev): -7.8745 -7.8743 -7.7819 -7.7815 -7.6828 -7.6825 -7.5964 -7.5961 -1.8653 -1.8390 -1.8340 -1.8200 -1.5693 -1.5247 -1.5049 -1.4835 -1.4606 -1.4529 -0.8798 -0.8645 -0.6913 -0.6748 -0.3179 -0.3086 0.8409 0.8483 2.0101 2.0288 2.4026 2.4565 2.6423 2.6830 3.0966 3.1292 3.4490 3.4804 3.6023 3.6241 3.8684 3.8969 4.0221 4.0317 7.4173 7.4247 7.9321 7.9394 8.2842 8.3011 9.3574 9.3628 k = 0.3333 0.2381 0.7872 ( 5858 PWs) bands (ev): -7.8770 -7.8768 -7.7817 -7.7814 -7.6824 -7.6821 -7.5953 -7.5950 -1.8654 -1.8398 -1.8355 -1.8193 -1.5686 -1.5263 -1.5051 -1.4844 -1.4596 -1.4524 -0.8940 -0.8779 -0.6843 -0.6688 -0.2869 -0.2776 0.8648 0.8726 1.9555 1.9734 2.3559 2.4039 2.6732 2.7064 3.1103 3.1402 3.4460 3.4718 3.6163 3.6404 3.8690 3.9013 4.0266 4.0359 7.3672 7.3727 7.9233 7.9305 8.3425 8.3646 9.3598 9.3668 k = 0.3472 0.2480 0.7750 ( 5856 PWs) bands (ev): -7.8791 -7.8789 -7.7819 -7.7816 -7.6819 -7.6816 -7.5946 -7.5942 -1.8655 -1.8407 -1.8373 -1.8187 -1.5682 -1.5281 -1.5055 -1.4853 -1.4587 -1.4520 -0.9045 -0.8878 -0.6779 -0.6636 -0.2544 -0.2449 0.8919 0.8999 1.9012 1.9189 2.3060 2.3486 2.7028 2.7297 3.1165 3.1454 3.4427 3.4639 3.6300 3.6576 3.8698 3.9049 4.0321 4.0408 7.3201 7.3230 7.9141 7.9209 8.4033 8.4308 9.3634 9.3722 k = 0.3611 0.2579 0.7628 ( 5858 PWs) bands (ev): -7.8807 -7.8805 -7.7824 -7.7821 -7.6813 -7.6810 -7.5943 -7.5940 -1.8656 -1.8417 -1.8392 -1.8183 -1.5682 -1.5301 -1.5061 -1.4862 -1.4580 -1.4517 -0.9106 -0.8935 -0.6720 -0.6588 -0.2214 -0.2116 0.9215 0.9298 1.8487 1.8665 2.2545 2.2925 2.7305 2.7517 3.1153 3.1445 3.4393 3.4569 3.6425 3.6740 3.8703 3.9073 4.0382 4.0460 7.2775 7.2786 7.9048 7.9111 8.4655 8.4983 9.3676 9.3785 k = 0.3750 0.2678 0.7506 ( 5857 PWs) bands (ev): -7.8817 -7.8815 -7.7833 -7.7831 -7.6806 -7.6803 -7.5947 -7.5944 -1.8658 -1.8428 -1.8414 -1.8180 -1.5687 -1.5323 -1.5068 -1.4870 -1.4576 -1.4517 -0.9119 -0.8944 -0.6666 -0.6545 -0.1888 -0.1785 0.9530 0.9615 1.7991 1.8171 2.2030 2.2371 2.7559 2.7718 3.1076 3.1377 3.4359 3.4505 3.6531 3.6883 3.8700 3.9081 4.0442 4.0510 7.2391 7.2433 7.8961 7.9016 8.5280 8.5663 9.3720 9.3852 k = 0.3889 0.2777 0.7384 ( 5857 PWs) bands (ev): -7.8820 -7.8818 -7.7847 -7.7845 -7.6797 -7.6794 -7.5956 -7.5952 -1.8661 -1.8442 -1.8435 -1.8179 -1.5699 -1.5346 -1.5076 -1.4877 -1.4574 -1.4519 -0.9082 -0.8903 -0.6614 -0.6505 -0.1574 -0.1465 0.9858 0.9944 1.7532 1.7716 2.1527 2.1835 2.7783 2.7895 3.0944 3.1257 3.4325 3.4448 3.6614 3.6999 3.8681 3.9072 4.0488 4.0548 7.2085 7.2166 7.8883 7.8932 8.5899 8.6337 9.3759 9.3915 k = 0.4028 0.2877 0.7262 ( 5857 PWs) bands (ev): -7.8816 -7.8815 -7.7867 -7.7866 -7.6787 -7.6784 -7.5969 -7.5965 -1.8664 -1.8465 -1.8450 -1.8179 -1.5717 -1.5370 -1.5085 -1.4884 -1.4575 -1.4524 -0.8992 -0.8810 -0.6565 -0.6465 -0.1279 -0.1164 1.0190 1.0276 1.7121 1.7309 2.1047 2.1329 2.7970 2.8047 3.0767 3.1094 3.4291 3.4396 3.6671 3.7089 3.8645 3.9047 4.0507 4.0560 7.1868 7.1991 7.8820 7.8863 8.6504 8.6999 9.3781 9.3964 k = 0.4167 0.2976 0.7141 ( 5861 PWs) bands (ev): -7.8805 -7.8804 -7.7895 -7.7894 -7.6775 -7.6772 -7.5985 -7.5981 -1.8668 -1.8492 -1.8463 -1.8181 -1.5742 -1.5395 -1.5094 -1.4889 -1.4578 -1.4531 -0.8852 -0.8667 -0.6516 -0.6426 -0.1013 -0.0890 1.0517 1.0601 1.6765 1.6957 2.0603 2.0863 2.8106 2.8177 3.0553 3.0895 3.4257 3.4349 3.6705 3.7157 3.8587 3.9009 4.0484 4.0537 7.1746 7.1913 7.8776 7.8817 8.7087 8.7639 9.3777 9.3989 k = 0.4306 0.3075 0.7019 ( 5860 PWs) bands (ev): -7.8787 -7.8787 -7.7933 -7.7932 -7.6761 -7.6758 -7.6002 -7.5998 -1.8674 -1.8518 -1.8477 -1.8183 -1.5773 -1.5421 -1.5102 -1.4893 -1.4583 -1.4540 -0.8663 -0.8477 -0.6466 -0.6385 -0.0780 -0.0650 1.0828 1.0910 1.6469 1.6667 2.0206 2.0450 2.8181 2.8283 3.0312 3.0671 3.4223 3.4304 3.6717 3.7207 3.8509 3.8962 4.0407 4.0471 7.1721 7.1931 7.8756 7.8800 8.7638 8.8247 9.3732 9.3977 k = 0.4444 0.3174 0.6897 ( 5863 PWs) bands (ev): -7.8763 -7.8763 -7.7981 -7.7980 -7.6745 -7.6742 -7.6018 -7.6015 -1.8683 -1.8544 -1.8491 -1.8186 -1.5807 -1.5447 -1.5109 -1.4896 -1.4590 -1.4550 -0.8428 -0.8242 -0.6413 -0.6340 -0.0587 -0.0449 1.1112 1.1190 1.6238 1.6444 1.9868 2.0101 2.8200 2.8350 3.0054 3.0429 3.4187 3.4260 3.6709 3.7242 3.8410 3.8909 4.0272 4.0360 7.1786 7.2039 7.8768 7.8819 8.8147 8.8812 9.3634 9.3916 k = 0.4583 0.3273 0.6775 ( 5863 PWs) bands (ev): -7.8735 -7.8734 -7.8041 -7.8040 -7.6727 -7.6723 -7.6032 -7.6028 -1.8695 -1.8567 -1.8505 -1.8189 -1.5843 -1.5474 -1.5115 -1.4897 -1.4598 -1.4559 -0.8155 -0.7970 -0.6353 -0.6289 -0.0438 -0.0293 1.1355 1.1433 1.6074 1.6290 1.9599 1.9828 2.8159 2.8364 2.9786 3.0180 3.4147 3.4216 3.6680 3.7264 3.8291 3.8854 4.0084 4.0209 7.1933 7.2224 7.8817 7.8879 8.8599 8.9318 9.3471 9.3796 k = 0.4722 0.3372 0.6653 ( 5855 PWs) bands (ev): -7.8705 -7.8704 -7.8111 -7.8110 -7.6705 -7.6702 -7.6040 -7.6035 -1.8710 -1.8587 -1.8519 -1.8191 -1.5880 -1.5500 -1.5120 -1.4896 -1.4608 -1.4568 -0.7852 -0.7668 -0.6280 -0.6226 -0.0335 -0.0182 1.1548 1.1629 1.5975 1.6206 1.9410 1.9643 2.8054 2.8317 2.9520 2.9934 3.4101 3.4168 3.6629 3.7270 3.8153 3.8797 3.9857 4.0030 7.2146 7.2471 7.8913 7.8986 8.8976 8.9744 9.3237 9.3613 k = 0.4861 0.3472 0.6531 ( 5856 PWs) bands (ev): -7.8681 -7.8680 -7.8185 -7.8183 -7.6680 -7.6677 -7.6041 -7.6037 -1.8730 -1.8603 -1.8531 -1.8194 -1.5916 -1.5526 -1.5125 -1.4895 -1.4619 -1.4576 -0.7536 -0.7355 -0.6182 -0.6138 -0.0278 -0.0118 1.1685 1.1772 1.5939 1.6187 1.9309 1.9552 2.7881 2.8200 2.9263 2.9699 3.4047 3.4114 3.6552 3.7248 3.7999 3.8731 3.9617 3.9844 7.2409 7.2759 7.9061 7.9145 8.9245 9.0053 9.2929 9.3370 k = 0.5000 0.3571 0.6409 ( 5870 PWs) bands (ev): -7.8682 -7.8680 -7.8246 -7.8244 -7.6651 -7.6647 -7.6035 -7.6030 -1.8752 -1.8616 -1.8543 -1.8197 -1.5950 -1.5551 -1.5128 -1.4893 -1.4630 -1.4584 -0.7234 -0.7056 -0.6041 -0.5998 -0.0264 -0.0097 1.1765 1.1859 1.5959 1.6226 1.9297 1.9557 2.7643 2.8009 2.9019 2.9478 3.3980 3.4050 3.6441 3.7176 3.7845 3.8641 3.9405 3.9676 7.2701 7.3068 7.9265 7.9360 8.9358 9.0183 9.2549 9.3048 k = 0.5000 0.3571 0.6409 ( 5870 PWs) bands (ev): -7.8682 -7.8680 -7.8246 -7.8244 -7.6651 -7.6647 -7.6035 -7.6030 -1.8752 -1.8616 -1.8543 -1.8197 -1.5950 -1.5551 -1.5128 -1.4893 -1.4630 -1.4584 -0.7234 -0.7056 -0.6041 -0.5998 -0.0264 -0.0097 1.1765 1.1859 1.5959 1.6226 1.9297 1.9557 2.7643 2.8009 2.9019 2.9478 3.3980 3.4050 3.6441 3.7176 3.7845 3.8641 3.9405 3.9676 7.2701 7.3068 7.9265 7.9360 8.9358 9.0183 9.2549 9.3048 k = 0.5000 0.3571 0.6196 ( 5858 PWs) bands (ev): -7.8729 -7.8727 -7.8326 -7.8323 -7.6592 -7.6588 -7.6012 -7.6007 -1.8793 -1.8638 -1.8559 -1.8201 -1.6005 -1.5593 -1.5133 -1.4888 -1.4650 -1.4596 -0.6729 -0.6560 -0.5735 -0.5677 -0.0271 -0.0096 1.1863 1.1972 1.6042 1.6344 1.9354 1.9647 2.7152 2.7589 2.8621 2.9112 3.3845 3.3922 3.6216 3.6980 3.7585 3.8437 3.9094 3.9415 7.3240 7.3627 7.9669 7.9785 8.9267 9.0062 9.1763 9.2298 k = 0.5000 0.3571 0.5982 ( 5858 PWs) bands (ev): -7.8797 -7.8792 -7.8406 -7.8403 -7.6523 -7.6519 -7.5979 -7.5974 -1.8833 -1.8661 -1.8574 -1.8204 -1.6056 -1.5632 -1.5137 -1.4883 -1.4671 -1.4607 -0.6212 -0.6058 -0.5420 -0.5344 -0.0271 -0.0093 1.1972 1.2099 1.6131 1.6470 1.9413 1.9740 2.6631 2.7130 2.8258 2.8771 3.3703 3.3786 3.5995 3.6784 3.7310 3.8207 3.8799 3.9163 7.3803 7.4205 8.0061 8.0202 8.8952 8.9675 9.0896 9.1425 k = 0.5000 0.3571 0.5768 ( 5842 PWs) bands (ev): -7.8884 -7.8879 -7.8485 -7.8481 -7.6445 -7.6441 -7.5935 -7.5930 -1.8871 -1.8683 -1.8587 -1.8208 -1.6101 -1.5670 -1.5140 -1.4879 -1.4693 -1.4617 -0.5692 -0.5556 -0.5102 -0.5003 -0.0256 -0.0083 1.2095 1.2242 1.6225 1.6604 1.9472 1.9835 2.6095 2.6644 2.7930 2.8456 3.3553 3.3642 3.5784 3.6594 3.7020 3.7944 3.8535 3.8923 7.4381 7.4794 8.0425 8.0599 8.8437 8.9063 8.9980 9.0456 k = 0.5000 0.3571 0.5555 ( 5834 PWs) bands (ev): -7.8989 -7.8983 -7.8564 -7.8560 -7.6359 -7.6355 -7.5880 -7.5875 -1.8906 -1.8707 -1.8598 -1.8211 -1.6142 -1.5704 -1.5143 -1.4877 -1.4713 -1.4627 -0.5186 -0.5065 -0.4787 -0.4663 -0.0217 -0.0059 1.2232 1.2401 1.6324 1.6745 1.9530 1.9931 2.5557 2.6146 2.7636 2.8170 3.3396 3.3492 3.5585 3.6412 3.6717 3.7647 3.8304 3.8696 7.4967 7.5386 8.0746 8.0959 8.7762 8.8293 8.9029 8.9426 k = 0.5000 0.3571 0.5341 ( 5834 PWs) bands (ev): -7.9108 -7.9102 -7.8645 -7.8642 -7.6264 -7.6260 -7.5814 -7.5810 -1.8938 -1.8730 -1.8608 -1.8215 -1.6178 -1.5737 -1.5146 -1.4879 -1.4731 -1.4637 -0.4713 -0.4604 -0.4471 -0.4331 -0.0138 -0.0011 1.2384 1.2581 1.6426 1.6892 1.9585 2.0026 2.5032 2.5652 2.7373 2.7912 3.3234 3.3338 3.5400 3.6240 3.6404 3.7328 3.8102 3.8483 7.5554 7.5973 8.1004 8.1263 8.6973 8.7431 8.8050 8.8364 k = 0.5000 0.3571 0.5127 ( 5830 PWs) bands (ev): -7.9238 -7.9231 -7.8731 -7.8727 -7.6162 -7.6158 -7.5739 -7.5734 -1.8965 -1.8753 -1.8616 -1.8219 -1.6209 -1.5766 -1.5148 -1.4885 -1.4746 -1.4647 -0.4292 -0.4255 -0.4104 -0.4011 -0.0004 0.0079 1.2555 1.2783 1.6531 1.7045 1.9635 2.0118 2.4530 2.5172 2.7142 2.7685 3.3068 3.3180 3.5229 3.6073 3.6094 3.7001 3.7918 3.8283 7.6132 7.6546 8.1173 8.1487 8.6107 8.6531 8.7061 8.7298 k = 0.5000 0.3571 0.4914 ( 5832 PWs) bands (ev): -7.9375 -7.9368 -7.8820 -7.8817 -7.6052 -7.6048 -7.5655 -7.5650 -1.8989 -1.8776 -1.8624 -1.8222 -1.6235 -1.5793 -1.5150 -1.4898 -1.4757 -1.4657 -0.4013 -0.3933 -0.3791 -0.3651 0.0190 0.0246 1.2745 1.3010 1.6639 1.7203 1.9679 2.0205 2.4064 2.4718 2.6944 2.7489 3.2899 3.3021 3.5073 3.5765 3.5936 3.6676 3.7748 3.8096 7.6691 7.7093 8.1223 8.1596 8.5194 8.5624 8.6083 8.6267 k = 0.5000 0.3571 0.4700 ( 5836 PWs) bands (ev): -7.9517 -7.9510 -7.8915 -7.8912 -7.5937 -7.5933 -7.5564 -7.5559 -1.9008 -1.8797 -1.8631 -1.8226 -1.6256 -1.5817 -1.5151 -1.4916 -1.4765 -1.4667 -0.3842 -0.3682 -0.3524 -0.3298 0.0429 0.0533 1.2957 1.3264 1.6749 1.7364 1.9713 2.0283 2.3642 2.4298 2.6779 2.7326 3.2728 3.2863 3.4926 3.5451 3.5801 3.6364 3.7587 3.7920 7.7218 7.7600 8.1120 8.1544 8.4250 8.4713 8.5128 8.5347 k = 0.5000 0.3571 0.4486 ( 5846 PWs) bands (ev): -7.9662 -7.9655 -7.9014 -7.9011 -7.5816 -7.5812 -7.5466 -7.5462 -1.9022 -1.8817 -1.8638 -1.8229 -1.6273 -1.5839 -1.5153 -1.4938 -1.4770 -1.4676 -0.3757 -0.3555 -0.3249 -0.3000 0.0745 0.0921 1.3191 1.3548 1.6860 1.7527 1.9737 2.0350 2.3275 2.3919 2.6648 2.7195 3.2558 3.2706 3.4778 3.5154 3.5670 3.6079 3.7435 3.7755 7.7696 7.8048 8.0840 8.1286 8.3289 8.3763 8.4259 8.4582 k = 0.5000 0.3571 0.4273 ( 5848 PWs) bands (ev): -7.9808 -7.9802 -7.9117 -7.9114 -7.5690 -7.5687 -7.5364 -7.5359 -1.9031 -1.8836 -1.8645 -1.8232 -1.6284 -1.5858 -1.5154 -1.4965 -1.4774 -1.4684 -0.3763 -0.3515 -0.2999 -0.2758 0.1148 0.1386 1.3449 1.3861 1.6972 1.7690 1.9745 2.0401 2.2972 2.3589 2.6551 2.7097 3.2390 3.2552 3.4601 3.4899 3.5526 3.5848 3.7292 3.7601 7.8098 7.8409 8.0382 8.0810 8.2325 8.2772 8.3518 8.3945 k = 0.5000 0.3571 0.4059 ( 5848 PWs) bands (ev): -7.9954 -7.9948 -7.9222 -7.9220 -7.5561 -7.5558 -7.5258 -7.5254 -1.9036 -1.8854 -1.8651 -1.8235 -1.6290 -1.5874 -1.5155 -1.4994 -1.4780 -1.4691 -0.3849 -0.3551 -0.2782 -0.2564 0.1623 0.1909 1.3728 1.4204 1.7084 1.7852 1.9737 2.0435 2.2740 2.3314 2.6489 2.7032 3.2227 3.2402 3.4366 3.4708 3.5351 3.5699 3.7157 3.7457 7.8382 7.8643 7.9785 8.0165 8.1374 8.1785 8.2895 8.3383 k = 0.5000 0.3571 0.3846 ( 5836 PWs) bands (ev): -8.0099 -8.0093 -7.9329 -7.9327 -7.5430 -7.5427 -7.5150 -7.5146 -1.9036 -1.8869 -1.8658 -1.8237 -1.6292 -1.5887 -1.5155 -1.5025 -1.4786 -1.4698 -0.3997 -0.3655 -0.2602 -0.2408 0.2153 0.2472 1.4028 1.4574 1.7196 1.8010 1.9709 2.0448 2.2580 2.3102 2.6458 2.6999 3.2069 3.2257 3.4095 3.4546 3.5179 3.5617 3.7031 3.7324 7.8462 7.8672 7.9133 7.9432 8.0460 8.0833 8.2403 8.2891 k = 0.5000 0.3571 0.3632 ( 5838 PWs) bands (ev): -8.0241 -8.0235 -7.9436 -7.9434 -7.5298 -7.5294 -7.5041 -7.5036 -1.9032 -1.8883 -1.8666 -1.8239 -1.6289 -1.5898 -1.5155 -1.5057 -1.4795 -1.4703 -0.4193 -0.3815 -0.2458 -0.2288 0.2719 0.3059 1.4346 1.4969 1.7307 1.8163 1.9661 2.0442 2.2491 2.2963 2.6459 2.6995 3.1918 3.2118 3.3817 3.4368 3.5052 3.5575 3.6914 3.7202 7.8138 7.8334 7.8629 7.8732 7.9610 7.9949 8.2072 8.2518 k = 0.5000 0.3571 0.3418 ( 5830 PWs) bands (ev): -8.0380 -8.0374 -7.9542 -7.9541 -7.5165 -7.5162 -7.4931 -7.4926 -1.9023 -1.8896 -1.8674 -1.8241 -1.6281 -1.5906 -1.5155 -1.5091 -1.4805 -1.4708 -0.4425 -0.4021 -0.2350 -0.2202 0.3305 0.3658 1.4675 1.5380 1.7416 1.8308 1.9597 2.0421 2.2460 2.2905 2.6488 2.7018 3.1776 3.1985 3.3544 3.4166 3.4982 3.5560 3.6807 3.7091 7.7440 7.7680 7.8053 7.8195 7.8848 7.9170 8.1907 8.2290 k = 0.5000 0.3571 0.3205 ( 5826 PWs) bands (ev): -8.0514 -8.0509 -7.9647 -7.9646 -7.5033 -7.5030 -7.4822 -7.4818 -1.9010 -1.8906 -1.8683 -1.8243 -1.6269 -1.5910 -1.5155 -1.5126 -1.4818 -1.4714 -0.4682 -0.4260 -0.2276 -0.2146 0.3900 0.4260 1.5012 1.5801 1.7523 1.8443 1.9520 2.0387 2.2479 2.2935 2.6542 2.7065 3.1643 3.1858 3.3280 3.3949 3.4959 3.5567 3.6711 3.6990 7.6689 7.6914 7.7360 7.7535 7.8144 7.8481 8.1848 8.2159 k = 0.5000 0.3571 0.2991 ( 5830 PWs) bands (ev): -8.0644 -8.0638 -7.9750 -7.9749 -7.4904 -7.4901 -7.4715 -7.4711 -1.8993 -1.8915 -1.8692 -1.8245 -1.6252 -1.5912 -1.5164 -1.5152 -1.4832 -1.4720 -0.4957 -0.4525 -0.2232 -0.2119 0.4495 0.4857 1.5348 1.6222 1.7629 1.8568 1.9436 2.0346 2.2544 2.3046 2.6617 2.7132 3.1520 3.1739 3.3028 3.3728 3.4971 3.5594 3.6625 3.6901 7.5947 7.6150 7.6612 7.6794 7.7461 7.7812 8.1803 8.2037 k = 0.5000 0.3571 0.2777 ( 5838 PWs) bands (ev): -8.0767 -8.0762 -7.9848 -7.9848 -7.4778 -7.4774 -7.4611 -7.4607 -1.8974 -1.8920 -1.8703 -1.8247 -1.6230 -1.5911 -1.5201 -1.5151 -1.4849 -1.4728 -0.5241 -0.4806 -0.2215 -0.2117 0.5081 0.5441 1.5677 1.6631 1.7732 1.8682 1.9351 2.0299 2.2659 2.3227 2.6711 2.7216 3.1408 3.1625 3.2789 3.3510 3.5011 3.5638 3.6551 3.6823 7.5234 7.5416 7.5868 7.6043 7.6788 7.7139 8.1674 8.1857 k = 0.5000 0.3571 0.2564 ( 5840 PWs) bands (ev): -8.0884 -8.0879 -7.9943 -7.9942 -7.4656 -7.4652 -7.4510 -7.4506 -1.8955 -1.8920 -1.8714 -1.8251 -1.6203 -1.5906 -1.5239 -1.5149 -1.4866 -1.4737 -0.5530 -0.5097 -0.2221 -0.2136 0.5653 0.6007 1.5992 1.7018 1.7833 1.8785 1.9266 2.0249 2.2828 2.3466 2.6819 2.7313 3.1307 3.1519 3.2563 3.3298 3.5073 3.5697 3.6487 3.6756 7.4559 7.4722 7.5154 7.5314 7.6128 7.6470 8.1405 8.1597 k = 0.5000 0.3571 0.2350 ( 5838 PWs) bands (ev): -8.0994 -8.0989 -8.0033 -8.0032 -7.4539 -7.4536 -7.4414 -7.4410 -1.8946 -1.8906 -1.8726 -1.8255 -1.6172 -1.5896 -1.5277 -1.5146 -1.4884 -1.4749 -0.5816 -0.5392 -0.2246 -0.2172 0.6205 0.6549 1.6288 1.7371 1.7934 1.8879 1.9184 2.0197 2.3051 2.3749 2.6937 2.7418 3.1218 3.1421 3.2352 3.3094 3.5153 3.5768 3.6436 3.6701 7.3930 7.4075 7.4481 7.4624 7.5489 7.5817 8.1031 8.1247 k = 0.5000 0.3571 0.2136 ( 5842 PWs) bands (ev): -8.1096 -8.1092 -8.0117 -8.0116 -7.4428 -7.4426 -7.4323 -7.4320 -1.8945 -1.8879 -1.8739 -1.8262 -1.6138 -1.5883 -1.5316 -1.5142 -1.4904 -1.4764 -0.6095 -0.5684 -0.2286 -0.2221 0.6731 0.7062 1.6560 1.7681 1.8036 1.8965 1.9105 2.0144 2.3323 2.4067 2.7063 2.7527 3.1140 3.1331 3.2154 3.2898 3.5247 3.5847 3.6396 3.6657 7.3350 7.3480 7.3855 7.3981 7.4880 7.5189 8.0602 8.0829 k = 0.5000 0.3571 0.1923 ( 5850 PWs) bands (ev): -8.1189 -8.1186 -8.0194 -8.0194 -7.4325 -7.4323 -7.4238 -7.4235 -1.8945 -1.8848 -1.8750 -1.8270 -1.6102 -1.5864 -1.5354 -1.5138 -1.4926 -1.4782 -0.6361 -0.5969 -0.2335 -0.2279 0.7227 0.7541 1.6807 1.7931 1.8151 1.9016 1.9059 2.0090 2.3638 2.4406 2.7192 2.7634 3.1072 3.1253 3.1971 3.2711 3.5352 3.5930 3.6369 3.6624 7.2825 7.2940 7.3281 7.3389 7.4305 7.4595 8.0151 8.0378 k = 0.5000 0.3571 0.1709 ( 5836 PWs) bands (ev): -8.1274 -8.1271 -8.0265 -8.0265 -7.4230 -7.4228 -7.4160 -7.4158 -1.8944 -1.8819 -1.8757 -1.8280 -1.6063 -1.5839 -1.5391 -1.5133 -1.4948 -1.4802 -0.6608 -0.6241 -0.2390 -0.2342 0.7688 0.7982 1.7027 1.8099 1.8298 1.8952 1.9128 2.0036 2.3985 2.4754 2.7322 2.7737 3.1011 3.1188 3.1802 3.2532 3.5464 3.6012 3.6355 3.6601 7.2356 7.2459 7.2761 7.2853 7.3772 7.4041 7.9699 7.9917 k = 0.5000 0.3571 0.1495 ( 5832 PWs) bands (ev): -8.1350 -8.1347 -8.0329 -8.0329 -7.4144 -7.4142 -7.4090 -7.4087 -1.8942 -1.8805 -1.8747 -1.8294 -1.6024 -1.5809 -1.5427 -1.5128 -1.4972 -1.4825 -0.6834 -0.6497 -0.2448 -0.2407 0.8111 0.8380 1.7221 1.8200 1.8459 1.8887 1.9200 1.9981 2.4349 2.5098 2.7448 2.7830 3.0955 3.1143 3.1646 3.2360 3.5578 3.6087 3.6356 3.6587 7.1946 7.2039 7.2298 7.2375 7.3285 7.3531 7.9263 7.9465 k = 0.5000 0.3571 0.1282 ( 5832 PWs) bands (ev): -8.1417 -8.1414 -8.0385 -8.0385 -7.4068 -7.4066 -7.4028 -7.4025 -1.8938 -1.8811 -1.8716 -1.8310 -1.5985 -1.5775 -1.5459 -1.5125 -1.4996 -1.4851 -0.7034 -0.6732 -0.2504 -0.2470 0.8491 0.8731 1.7391 1.8267 1.8600 1.8834 1.9270 1.9926 2.4717 2.5423 2.7568 2.7911 3.0904 3.1120 3.1503 3.2196 3.5691 3.6145 3.6376 3.6582 7.1595 7.1679 7.1894 7.1958 7.2849 7.3069 7.8857 7.9040 k = 0.5000 0.3571 0.1068 ( 5840 PWs) bands (ev): -8.1474 -8.1472 -8.0433 -8.0433 -7.4003 -7.4001 -7.3974 -7.3972 -1.8934 -1.8823 -1.8677 -1.8330 -1.5949 -1.5741 -1.5482 -1.5128 -1.5018 -1.4878 -0.7203 -0.6942 -0.2556 -0.2528 0.8824 0.9032 1.7539 1.8304 1.8707 1.8804 1.9336 1.9871 2.5075 2.5715 2.7679 2.7976 3.0860 3.1119 3.1372 3.2039 3.5799 3.6181 3.6414 3.6583 7.1302 7.1380 7.1551 7.1605 7.2468 7.2662 7.8494 7.8653 k = 0.5000 0.3571 0.0855 ( 5832 PWs) bands (ev): -8.1520 -8.1519 -8.0473 -8.0473 -7.3948 -7.3947 -7.3929 -7.3928 -1.8927 -1.8837 -1.8636 -1.8353 -1.5913 -1.5716 -1.5490 -1.5142 -1.5032 -1.4905 -0.7341 -0.7125 -0.2602 -0.2580 0.9107 0.9279 1.7669 1.8305 1.8764 1.8822 1.9399 1.9818 2.5408 2.5959 2.7779 2.8025 3.0828 3.1138 3.1252 3.1890 3.5897 3.6199 3.6462 3.6588 7.1066 7.1140 7.1270 7.1320 7.2148 7.2312 7.8184 7.8316 k = 0.5000 0.3571 0.0641 ( 5846 PWs) bands (ev): -8.1557 -8.1556 -8.0504 -8.0504 -7.3906 -7.3904 -7.3894 -7.3893 -1.8920 -1.8851 -1.8595 -1.8379 -1.5878 -1.5710 -1.5473 -1.5173 -1.5034 -1.4931 -0.7443 -0.7277 -0.2639 -0.2622 0.9336 0.9469 1.7784 1.8274 1.8792 1.8864 1.9459 1.9766 2.5704 2.6143 2.7867 2.8055 3.0813 3.1144 3.1176 3.1749 3.5983 3.6203 3.6510 3.6595 7.0885 7.0951 7.1056 7.1103 7.1895 7.2025 7.7937 7.8038 k = 0.5000 0.3571 0.0427 ( 5854 PWs) bands (ev): -8.1583 -8.1582 -8.0526 -8.0526 -7.3875 -7.3874 -7.3868 -7.3867 -1.8911 -1.8864 -1.8555 -1.8409 -1.5844 -1.5724 -1.5434 -1.5216 -1.5026 -1.4955 -0.7509 -0.7396 -0.2665 -0.2655 0.9509 0.9599 1.7888 1.8218 1.8824 1.8890 1.9514 1.9715 2.5951 2.6258 2.7939 2.8067 3.0818 3.1047 3.1233 3.1619 3.6055 3.6198 3.6550 3.6601 7.0758 7.0807 7.0915 7.0952 7.1715 7.1806 7.7760 7.7829 k = 0.5000 0.3571 0.0214 ( 5854 PWs) bands (ev): -8.1599 -8.1598 -8.0540 -8.0540 -7.3857 -7.3857 -7.3852 -7.3851 -1.8901 -1.8878 -1.8515 -1.8442 -1.5811 -1.5748 -1.5382 -1.5268 -1.5014 -1.4977 -0.7537 -0.7480 -0.2681 -0.2675 0.9623 0.9669 1.7982 1.8148 1.8857 1.8895 1.9566 1.9666 2.6137 2.6295 2.7996 2.8061 3.0846 3.0963 3.1306 3.1501 3.6111 3.6181 3.6578 3.6603 7.0686 7.0712 7.0841 7.0861 7.1614 7.1661 7.7658 7.7693 k = 0.5000 0.3571 0.0000 ( 5846 PWs) bands (ev): -8.1604 -8.1604 -8.0544 -8.0544 -7.3851 -7.3851 -7.3846 -7.3846 -1.8890 -1.8890 -1.8477 -1.8477 -1.5778 -1.5778 -1.5325 -1.5325 -1.4997 -1.4997 -0.7527 -0.7527 -0.2684 -0.2684 0.9677 0.9677 1.8069 1.8069 1.8883 1.8883 1.9617 1.9617 2.6254 2.6254 2.8037 2.8037 3.0895 3.0895 3.1396 3.1396 3.6153 3.6153 3.6596 3.6596 7.0670 7.0670 7.0824 7.0824 7.1596 7.1596 7.7636 7.7636 k = 0.0000 0.0000 0.8603 ( 5860 PWs) bands (ev): -7.8656 -7.8656 -7.7851 -7.7851 -7.6816 -7.6816 -7.6008 -7.6008 -1.8527 -1.8527 -1.8234 -1.8234 -1.5393 -1.5393 -1.4920 -1.4920 -1.4490 -1.4490 -1.0153 -1.0153 -0.7783 -0.7783 -0.0159 -0.0159 1.1316 1.1316 1.5570 1.5570 1.9008 1.9008 3.0005 3.0005 3.2149 3.2149 3.4735 3.4735 3.8110 3.8110 3.9727 3.9727 4.1464 4.1464 6.9753 6.9753 7.6646 7.6646 8.5990 8.5990 9.3102 9.3102 k = 0.0167 0.0119 0.8603 ( 5866 PWs) bands (ev): -7.8656 -7.8656 -7.7851 -7.7851 -7.6816 -7.6816 -7.6009 -7.6008 -1.8541 -1.8513 -1.8238 -1.8231 -1.5419 -1.5368 -1.4929 -1.4911 -1.4494 -1.4488 -1.0137 -1.0137 -0.7785 -0.7768 -0.0204 -0.0194 1.1252 1.1269 1.5620 1.5624 1.9061 1.9116 2.9975 2.9980 3.2141 3.2147 3.4727 3.4742 3.8099 3.8100 3.9697 3.9712 4.1443 4.1450 6.9801 6.9801 7.6676 7.6676 8.5962 8.5962 9.3107 9.3108 k = 0.0333 0.0238 0.8603 ( 5864 PWs) bands (ev): -7.8656 -7.8656 -7.7851 -7.7850 -7.6817 -7.6816 -7.6009 -7.6009 -1.8555 -1.8498 -1.8242 -1.8229 -1.5447 -1.5346 -1.4939 -1.4903 -1.4501 -1.4488 -1.0090 -1.0089 -0.7774 -0.7739 -0.0327 -0.0306 1.1084 1.1116 1.5773 1.5783 1.9268 1.9374 2.9890 2.9900 3.2120 3.2132 3.4718 3.4749 3.8065 3.8068 3.9625 3.9653 4.1389 4.1404 6.9944 6.9944 7.6765 7.6766 8.5876 8.5877 9.3120 9.3124 k = 0.0500 0.0357 0.8603 ( 5854 PWs) bands (ev): -7.8655 -7.8655 -7.7851 -7.7850 -7.6818 -7.6817 -7.6010 -7.6009 -1.8568 -1.8483 -1.8247 -1.8227 -1.5477 -1.5326 -1.4948 -1.4894 -1.4510 -1.4490 -1.0011 -1.0010 -0.7751 -0.7698 -0.0521 -0.0491 1.0833 1.0877 1.6023 1.6042 1.9608 1.9761 2.9750 2.9764 3.2087 3.2106 3.4708 3.4756 3.8005 3.8009 3.9518 3.9558 4.1305 4.1328 7.0179 7.0180 7.6910 7.6911 8.5731 8.5733 9.3144 9.3150 k = 0.0667 0.0476 0.8603 ( 5846 PWs) bands (ev): -7.8654 -7.8653 -7.7850 -7.7849 -7.6819 -7.6819 -7.6011 -7.6010 -1.8581 -1.8468 -1.8252 -1.8226 -1.5507 -1.5308 -1.4958 -1.4885 -1.4521 -1.4494 -0.9903 -0.9903 -0.7715 -0.7646 -0.0777 -0.0738 1.0522 1.0576 1.6363 1.6394 2.0053 2.0248 2.9555 2.9572 3.2037 3.2066 3.4697 3.4764 3.7912 3.7916 3.9389 3.9438 4.1196 4.1227 7.0500 7.0502 7.7106 7.7108 8.5526 8.5529 9.3176 9.3183 k = 0.0833 0.0595 0.8603 ( 5850 PWs) bands (ev): -7.8652 -7.8652 -7.7850 -7.7848 -7.6821 -7.6820 -7.6012 -7.6010 -1.8593 -1.8454 -1.8257 -1.8225 -1.5537 -1.5292 -1.4969 -1.4876 -1.4533 -1.4499 -0.9767 -0.9767 -0.7670 -0.7584 -0.1084 -0.1037 1.0175 1.0235 1.6784 1.6829 2.0578 2.0812 2.9306 2.9325 3.1970 3.2011 3.4685 3.4773 3.7777 3.7783 3.9254 3.9308 4.1070 4.1108 7.0900 7.0903 7.7346 7.7347 8.5258 8.5262 9.3215 9.3224 k = 0.1000 0.0714 0.8603 ( 5842 PWs) bands (ev): -7.8651 -7.8650 -7.7849 -7.7847 -7.6823 -7.6822 -7.6013 -7.6011 -1.8603 -1.8441 -1.8263 -1.8225 -1.5566 -1.5278 -1.4979 -1.4867 -1.4547 -1.4505 -0.9607 -0.9604 -0.7617 -0.7516 -0.1429 -0.1375 0.9814 0.9878 1.7274 1.7333 2.1158 2.1430 2.9003 2.9023 3.1879 3.1937 3.4672 3.4785 3.7598 3.7603 3.9128 3.9184 4.0932 4.0977 7.1369 7.1375 7.7619 7.7621 8.4926 8.4933 9.3260 9.3271 k = 0.1167 0.0833 0.8603 ( 5840 PWs) bands (ev): -7.8649 -7.8648 -7.7848 -7.7846 -7.6825 -7.6824 -7.6014 -7.6012 -1.8613 -1.8427 -1.8269 -1.8226 -1.5595 -1.5265 -1.4991 -1.4859 -1.4561 -1.4511 -0.9425 -0.9420 -0.7558 -0.7442 -0.1802 -0.1741 0.9455 0.9521 1.7821 1.7895 2.1772 2.2084 2.8650 2.8670 3.1761 3.1842 3.4659 3.4802 3.7376 3.7376 3.9022 3.9077 4.0790 4.0842 7.1898 7.1908 7.7917 7.7919 8.4533 8.4542 9.3310 9.3322 k = 0.1333 0.0952 0.8603 ( 5856 PWs) bands (ev): -7.8647 -7.8646 -7.7847 -7.7845 -7.6828 -7.6827 -7.6015 -7.6013 -1.8623 -1.8415 -1.8275 -1.8227 -1.5622 -1.5254 -1.5002 -1.4850 -1.4576 -1.4518 -0.9224 -0.9216 -0.7496 -0.7367 -0.2188 -0.2121 0.9112 0.9178 1.8410 1.8501 2.2403 2.2758 2.8249 2.8268 3.1610 3.1723 3.4646 3.4824 3.7110 3.7123 3.8938 3.8990 4.0652 4.0709 7.2474 7.2489 7.8227 7.8228 8.4083 8.4095 9.3361 9.3374 k = 0.1500 0.1071 0.8603 ( 5872 PWs) bands (ev): -7.8646 -7.8645 -7.7846 -7.7844 -7.6830 -7.6829 -7.6016 -7.6014 -1.8631 -1.8404 -1.8281 -1.8228 -1.5647 -1.5244 -1.5013 -1.4842 -1.4591 -1.4524 -0.9012 -0.8999 -0.7434 -0.7292 -0.2577 -0.2504 0.8795 0.8861 1.9029 1.9138 2.3033 2.3435 2.7807 2.7825 3.1421 3.1577 3.4633 3.4853 3.6820 3.6858 3.8874 3.8924 4.0521 4.0584 7.3083 7.3105 7.8534 7.8536 8.3586 8.3601 9.3412 9.3426 k = 0.1667 0.1190 0.8603 ( 5872 PWs) bands (ev): -7.8644 -7.8643 -7.7846 -7.7843 -7.6832 -7.6831 -7.6018 -7.6015 -1.8637 -1.8394 -1.8286 -1.8229 -1.5669 -1.5235 -1.5024 -1.4833 -1.4605 -1.4529 -0.8795 -0.8775 -0.7375 -0.7221 -0.2955 -0.2875 0.8512 0.8578 1.9663 1.9793 2.3644 2.4095 2.7332 2.7353 3.1191 3.1406 3.4621 3.4893 3.6522 3.6599 3.8827 3.8873 4.0405 4.0472 7.3709 7.3739 7.8825 7.8832 8.3055 8.3072 9.3460 9.3475 k = 0.1833 0.1309 0.8603 ( 5864 PWs) bands (ev): -7.8642 -7.8641 -7.7845 -7.7842 -7.6834 -7.6832 -7.6019 -7.6016 -1.8643 -1.8385 -1.8291 -1.8230 -1.5687 -1.5227 -1.5034 -1.4826 -1.4617 -1.4534 -0.8583 -0.8555 -0.7322 -0.7157 -0.3307 -0.3221 0.8272 0.8336 2.0293 2.0450 2.4212 2.4706 2.6840 2.6877 3.0924 3.1215 3.4610 3.4945 3.6233 3.6366 3.8791 3.8836 4.0306 4.0377 7.4328 7.4369 7.9084 7.9100 8.2511 8.2529 9.3504 9.3519 k = 0.2000 0.1428 0.8603 ( 5876 PWs) bands (ev): -7.8641 -7.8640 -7.7844 -7.7842 -7.6835 -7.6834 -7.6019 -7.6017 -1.8647 -1.8377 -1.8296 -1.8231 -1.5702 -1.5220 -1.5042 -1.4819 -1.4628 -1.4538 -0.8389 -0.8352 -0.7277 -0.7102 -0.3616 -0.3524 0.8079 0.8142 2.0895 2.1086 2.4708 2.5185 2.6357 2.6472 3.0633 3.1017 3.4601 3.5013 3.5965 3.6173 3.8766 3.8809 4.0226 4.0301 7.4909 7.4964 7.9296 7.9328 8.1989 8.2004 9.3540 9.3556 k = 0.2167 0.1547 0.8603 ( 5864 PWs) bands (ev): -7.8640 -7.8639 -7.7844 -7.7841 -7.6836 -7.6835 -7.6020 -7.6017 -1.8650 -1.8371 -1.8299 -1.8232 -1.5713 -1.5215 -1.5049 -1.4814 -1.4637 -1.4541 -0.8230 -0.8184 -0.7244 -0.7059 -0.3862 -0.3765 0.7938 0.8000 2.1427 2.1664 2.5081 2.5312 2.5937 2.6357 3.0349 3.0837 3.4594 3.5101 3.5727 3.6030 3.8749 3.8790 4.0168 4.0245 7.5406 7.5478 7.9448 7.9505 8.1537 8.1542 9.3567 9.3583 k = 0.2333 0.1666 0.8603 ( 5860 PWs) bands (ev): -7.8640 -7.8639 -7.7844 -7.7841 -7.6837 -7.6835 -7.6020 -7.6018 -1.8652 -1.8367 -1.8302 -1.8232 -1.5719 -1.5212 -1.5053 -1.4810 -1.4642 -1.4543 -0.8124 -0.8071 -0.7223 -0.7032 -0.4022 -0.3921 0.7852 0.7914 2.1819 2.2107 2.5106 2.5230 2.5711 2.6525 3.0128 3.0707 3.4589 3.5212 3.5523 3.5942 3.8739 3.8780 4.0133 4.0211 7.5753 7.5840 7.9532 7.9621 8.1210 8.1221 9.3584 9.3600 k = 0.2500 0.1785 0.8603 ( 5860 PWs) bands (ev): -7.8640 -7.8638 -7.7843 -7.7841 -7.6837 -7.6836 -7.6020 -7.6018 -1.8653 -1.8366 -1.8302 -1.8232 -1.5721 -1.5210 -1.5055 -1.4809 -1.4644 -1.4543 -0.8087 -0.8030 -0.7216 -0.7022 -0.4078 -0.3975 0.7823 0.7885 2.1969 2.2284 2.4982 2.5206 2.5695 2.6621 3.0042 3.0659 3.4588 3.5339 3.5365 3.5912 3.8736 3.8776 4.0122 4.0200 7.5880 7.5974 7.9556 7.9662 8.1086 8.1107 9.3590 9.3606 Writing output data file Al2ZnSe4.save init_run : 3.83s CPU 11.92s WALL ( 1 calls) electrons : 856.74s CPU 867.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 856.71s CPU 866.62s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.26s CPU 0.64s WALL ( 1 calls) newd : 0.56s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 279 calls) cegterg : 803.18s CPU 810.16s WALL ( 717 calls) Called by sum_band: Called by *egterg: h_psi : 491.46s CPU 500.91s WALL ( 12586 calls) s_psi : 24.64s CPU 24.92s WALL ( 12586 calls) g_psi : 0.81s CPU 0.76s WALL ( 11590 calls) cdiaghg : 216.67s CPU 214.36s WALL ( 11869 calls) cegterg:over : 51.56s CPU 49.41s WALL ( 11590 calls) cegterg:upda : 12.84s CPU 16.58s WALL ( 11590 calls) cegterg:last : 10.56s CPU 11.24s WALL ( 1788 calls) Called by h_psi: h_psi:vloc : 437.76s CPU 445.60s WALL ( 12586 calls) h_psi:vnl : 53.35s CPU 54.42s WALL ( 12586 calls) add_vuspsi : 18.09s CPU 21.37s WALL ( 12586 calls) General routines calbec : 35.20s CPU 32.98s WALL ( 12586 calls) fft : 0.31s CPU 1.26s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 413.50s CPU 419.28s WALL ( 1028428 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.06s CPU 2.68s WALL ( 558 calls) Parallel routines fft_scatter : 226.85s CPU 235.19s WALL ( 1028451 calls) PWSCF : 15m14.30s CPU 17m25.64s WALL This run was terminated on: 0:42:10 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=