Program PWSCF v.5.1.1 starts on 18Jul2015 at 22:20:32 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: ./PbSe.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 68 60 17 1714 1425 225 Max 69 61 18 1717 1441 228 Sum 3295 2921 853 82333 68799 10899 bravais-lattice index = 14 lattice parameter (alat) = 24.2936 a.u. unit-cell volume = 1581.6228 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 24.293585 celldm(2)= 0.998664 celldm(3)= 0.337196 celldm(4)= 0.164858 celldm(5)= 0.172558 celldm(6)= 0.943074 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.941814 0.332138 0.000000 ) a(3) = ( 0.058186 0.002153 0.332131 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.835611 -0.156810 ) b(2) = ( 0.000000 3.010797 -0.019515 ) b(3) = ( 0.000000 0.000000 3.010860 ) PseudoPot. # 1 for Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Se 6.00 78.96000 Se( 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0098039 -0.0278001 0.0279809), wk = 0.0027027 k( 3) = ( 0.0196078 -0.0556002 0.0559617), wk = 0.0027027 k( 4) = ( 0.0294118 -0.0834003 0.0839426), wk = 0.0027027 k( 5) = ( 0.0392157 -0.1112004 0.1119235), wk = 0.0027027 k( 6) = ( 0.0490196 -0.1390005 0.1399044), wk = 0.0027027 k( 7) = ( 0.0588235 -0.1668006 0.1678853), wk = 0.0027027 k( 8) = ( 0.0686275 -0.1946007 0.1958661), wk = 0.0027027 k( 9) = ( 0.0784314 -0.2224008 0.2238470), wk = 0.0027027 k( 10) = ( 0.0882353 -0.2502009 0.2518279), wk = 0.0027027 k( 11) = ( 0.0980392 -0.2780010 0.2798088), wk = 0.0027027 k( 12) = ( 0.1078431 -0.3058011 0.3077897), wk = 0.0027027 k( 13) = ( 0.1176471 -0.3336012 0.3357705), wk = 0.0027027 k( 14) = ( 0.1274510 -0.3614013 0.3637514), wk = 0.0027027 k( 15) = ( 0.1372549 -0.3892014 0.3917323), wk = 0.0027027 k( 16) = ( 0.1470588 -0.4170015 0.4197132), wk = 0.0027027 k( 17) = ( 0.1568627 -0.4448017 0.4476941), wk = 0.0027027 k( 18) = ( 0.1666667 -0.4726018 0.4756749), wk = 0.0027027 k( 19) = ( 0.1764706 -0.5004019 0.5036558), wk = 0.0027027 k( 20) = ( 0.1862745 -0.5282020 0.5316367), wk = 0.0027027 k( 21) = ( 0.1960784 -0.5560021 0.5596175), wk = 0.0027027 k( 22) = ( 0.2058823 -0.5838022 0.5875984), wk = 0.0027027 k( 23) = ( 0.2156863 -0.6116023 0.6155793), wk = 0.0027027 k( 24) = ( 0.2254902 -0.6394024 0.6435602), wk = 0.0027027 k( 25) = ( 0.2352941 -0.6672025 0.6715411), wk = 0.0027027 k( 26) = ( 0.2450980 -0.6950026 0.6995219), wk = 0.0027027 k( 27) = ( 0.2549020 -0.7228027 0.7275028), wk = 0.0027027 k( 28) = ( 0.2647059 -0.7506028 0.7554837), wk = 0.0027027 k( 29) = ( 0.2745098 -0.7784029 0.7834646), wk = 0.0027027 k( 30) = ( 0.2843137 -0.8062030 0.8114455), wk = 0.0027027 k( 31) = ( 0.2941177 -0.8340031 0.8394263), wk = 0.0027027 k( 32) = ( 0.3039216 -0.8618032 0.8674072), wk = 0.0027027 k( 33) = ( 0.3137255 -0.8896033 0.8953881), wk = 0.0027027 k( 34) = ( 0.3235294 -0.9174034 0.9233689), wk = 0.0027027 k( 35) = ( 0.3333333 -0.9452035 0.9513498), wk = 0.0027027 k( 36) = ( 0.3431373 -0.9730036 0.9793307), wk = 0.0027027 k( 37) = ( 0.3529412 -1.0008037 1.0073116), wk = 0.0027027 k( 38) = ( 0.3627451 -1.0286038 1.0352925), wk = 0.0027027 k( 39) = ( 0.3725490 -1.0564039 1.0632733), wk = 0.0027027 k( 40) = ( 0.3823529 -1.0842040 1.0912542), wk = 0.0027027 k( 41) = ( 0.3921569 -1.1120041 1.1192351), wk = 0.0027027 k( 42) = ( 0.4019608 -1.1398042 1.1472160), wk = 0.0027027 k( 43) = ( 0.4117647 -1.1676043 1.1751969), wk = 0.0027027 k( 44) = ( 0.4215686 -1.1954044 1.2031777), wk = 0.0027027 k( 45) = ( 0.4313726 -1.2232045 1.2311586), wk = 0.0027027 k( 46) = ( 0.4411765 -1.2510046 1.2591395), wk = 0.0027027 k( 47) = ( 0.4509804 -1.2788047 1.2871204), wk = 0.0027027 k( 48) = ( 0.4607843 -1.3066048 1.3151012), wk = 0.0027027 k( 49) = ( 0.4705882 -1.3344050 1.3430821), wk = 0.0027027 k( 50) = ( 0.4803922 -1.3622051 1.3710630), wk = 0.0027027 k( 51) = ( 0.4901961 -1.3900052 1.3990439), wk = 0.0027027 k( 52) = ( 0.5000000 -1.4178053 1.4270247), wk = 0.0027027 k( 53) = ( 0.5000000 -1.4178053 1.4270247), wk = 0.0027027 k( 54) = ( 0.5000000 -1.3915003 1.4531598), wk = 0.0027027 k( 55) = ( 0.5000000 -1.3651953 1.4792949), wk = 0.0027027 k( 56) = ( 0.5000000 -1.3388903 1.5054299), wk = 0.0027027 k( 57) = ( 0.5000000 -1.3388903 1.5054299), wk = 0.0027027 k( 58) = ( 0.4930059 -1.2989664 1.5054299), wk = 0.0027027 k( 59) = ( 0.4860118 -1.2590426 1.5054299), wk = 0.0027027 k( 60) = ( 0.4790177 -1.2191187 1.5054299), wk = 0.0027027 k( 61) = ( 0.4720236 -1.1791948 1.5054299), wk = 0.0027027 k( 62) = ( 0.4650295 -1.1392710 1.5054299), wk = 0.0027027 k( 63) = ( 0.4580354 -1.0993471 1.5054299), wk = 0.0027027 k( 64) = ( 0.4510413 -1.0594233 1.5054299), wk = 0.0027027 k( 65) = ( 0.4440472 -1.0194994 1.5054299), wk = 0.0027027 k( 66) = ( 0.4370531 -0.9795755 1.5054299), wk = 0.0027027 k( 67) = ( 0.4300590 -0.9396517 1.5054299), wk = 0.0027027 k( 68) = ( 0.4230649 -0.8997278 1.5054299), wk = 0.0027027 k( 69) = ( 0.4160708 -0.8598039 1.5054299), wk = 0.0027027 k( 70) = ( 0.4090767 -0.8198801 1.5054299), wk = 0.0027027 k( 71) = ( 0.4020826 -0.7799562 1.5054299), wk = 0.0027027 k( 72) = ( 0.3950885 -0.7400324 1.5054299), wk = 0.0027027 k( 73) = ( 0.3880944 -0.7001085 1.5054299), wk = 0.0027027 k( 74) = ( 0.3811003 -0.6601847 1.5054299), wk = 0.0027027 k( 75) = ( 0.3741062 -0.6202608 1.5054299), wk = 0.0027027 k( 76) = ( 0.3671121 -0.5803369 1.5054299), wk = 0.0027027 k( 77) = ( 0.3601180 -0.5404131 1.5054299), wk = 0.0027027 k( 78) = ( 0.3531239 -0.5004892 1.5054299), wk = 0.0027027 k( 79) = ( 0.3461298 -0.4605653 1.5054299), wk = 0.0027027 k( 80) = ( 0.3391357 -0.4206415 1.5054299), wk = 0.0027027 k( 81) = ( 0.3321416 -0.3807176 1.5054299), wk = 0.0027027 k( 82) = ( 0.3251475 -0.3407938 1.5054299), wk = 0.0027027 k( 83) = ( 0.3181534 -0.3008699 1.5054299), wk = 0.0027027 k( 84) = ( 0.3111593 -0.2609460 1.5054299), wk = 0.0027027 k( 85) = ( 0.3041652 -0.2210222 1.5054299), wk = 0.0027027 k( 86) = ( 0.2971711 -0.1810983 1.5054299), wk = 0.0027027 k( 87) = ( 0.2901770 -0.1411745 1.5054299), wk = 0.0027027 k( 88) = ( 0.2831829 -0.1012506 1.5054299), wk = 0.0027027 k( 89) = ( 0.2761888 -0.0613267 1.5054299), wk = 0.0027027 k( 90) = ( 0.2691947 -0.0214029 1.5054299), wk = 0.0027027 k( 91) = ( 0.2622006 0.0185210 1.5054299), wk = 0.0027027 k( 92) = ( 0.2552064 0.0584449 1.5054299), wk = 0.0027027 k( 93) = ( 0.2482123 0.0983687 1.5054299), wk = 0.0027027 k( 94) = ( 0.2412182 0.1382926 1.5054299), wk = 0.0027027 k( 95) = ( 0.2342241 0.1782165 1.5054299), wk = 0.0027027 k( 96) = ( 0.2272300 0.2181403 1.5054299), wk = 0.0027027 k( 97) = ( 0.2202360 0.2580641 1.5054299), wk = 0.0027027 k( 98) = ( 0.2132419 0.2979880 1.5054299), wk = 0.0027027 k( 99) = ( 0.2062478 0.3379119 1.5054299), wk = 0.0027027 k( 100) = ( 0.1992536 0.3778357 1.5054299), wk = 0.0027027 k( 101) = ( 0.1922595 0.4177596 1.5054299), wk = 0.0027027 k( 102) = ( 0.1852654 0.4576835 1.5054299), wk = 0.0027027 k( 103) = ( 0.1782713 0.4976073 1.5054299), wk = 0.0027027 k( 104) = ( 0.1712772 0.5375312 1.5054299), wk = 0.0027027 k( 105) = ( 0.1642831 0.5774550 1.5054299), wk = 0.0027027 k( 106) = ( 0.1572890 0.6173789 1.5054299), wk = 0.0027027 k( 107) = ( 0.1502949 0.6573028 1.5054299), wk = 0.0027027 k( 108) = ( 0.1433008 0.6972267 1.5054299), wk = 0.0027027 k( 109) = ( 0.1363067 0.7371505 1.5054299), wk = 0.0027027 k( 110) = ( 0.1293126 0.7770743 1.5054299), wk = 0.0027027 k( 111) = ( 0.1223185 0.8169982 1.5054299), wk = 0.0027027 k( 112) = ( 0.1153244 0.8569221 1.5054299), wk = 0.0027027 k( 113) = ( 0.1083303 0.8968459 1.5054299), wk = 0.0027027 k( 114) = ( 0.1013362 0.9367698 1.5054299), wk = 0.0027027 k( 115) = ( 0.0943421 0.9766937 1.5054299), wk = 0.0027027 k( 116) = ( 0.0873480 1.0166175 1.5054299), wk = 0.0027027 k( 117) = ( 0.0803539 1.0565414 1.5054299), wk = 0.0027027 k( 118) = ( 0.0733598 1.0964653 1.5054299), wk = 0.0027027 k( 119) = ( 0.0663657 1.1363891 1.5054299), wk = 0.0027027 k( 120) = ( 0.0593716 1.1763130 1.5054299), wk = 0.0027027 k( 121) = ( 0.0523775 1.2162368 1.5054299), wk = 0.0027027 k( 122) = ( 0.0453834 1.2561607 1.5054299), wk = 0.0027027 k( 123) = ( 0.0383893 1.2960846 1.5054299), wk = 0.0027027 k( 124) = ( 0.0313952 1.3360084 1.5054299), wk = 0.0027027 k( 125) = ( 0.0244011 1.3759323 1.5054299), wk = 0.0027027 k( 126) = ( 0.0174070 1.4158561 1.5054299), wk = 0.0027027 k( 127) = ( 0.0104129 1.4557800 1.5054299), wk = 0.0027027 k( 128) = ( 0.0034188 1.4957038 1.5054299), wk = 0.0027027 k( 129) = ( 0.0034188 1.4957038 1.5054299), wk = 0.0027027 k( 130) = ( 0.0000000 1.5053983 1.4956724), wk = 0.0027027 k( 131) = ( 0.0000000 1.5053983 1.4956724), wk = 0.0027027 k( 132) = ( 0.0000000 1.4764483 1.4669095), wk = 0.0027027 k( 133) = ( 0.0000000 1.4474983 1.4381466), wk = 0.0027027 k( 134) = ( 0.0000000 1.4185484 1.4093837), wk = 0.0027027 k( 135) = ( 0.0000000 1.3895984 1.3806207), wk = 0.0027027 k( 136) = ( 0.0000000 1.3606484 1.3518578), wk = 0.0027027 k( 137) = ( 0.0000000 1.3316985 1.3230948), wk = 0.0027027 k( 138) = ( 0.0000000 1.3027485 1.2943319), wk = 0.0027027 k( 139) = ( 0.0000000 1.2737985 1.2655690), wk = 0.0027027 k( 140) = ( 0.0000000 1.2448486 1.2368061), wk = 0.0027027 k( 141) = ( 0.0000000 1.2158986 1.2080431), wk = 0.0027027 k( 142) = ( 0.0000000 1.1869486 1.1792802), wk = 0.0027027 k( 143) = ( 0.0000000 1.1579987 1.1505172), wk = 0.0027027 k( 144) = ( 0.0000000 1.1290487 1.1217543), wk = 0.0027027 k( 145) = ( 0.0000000 1.1000987 1.0929914), wk = 0.0027027 k( 146) = ( 0.0000000 1.0711488 1.0642285), wk = 0.0027027 k( 147) = ( 0.0000000 1.0421988 1.0354655), wk = 0.0027027 k( 148) = ( 0.0000000 1.0132488 1.0067026), wk = 0.0027027 k( 149) = ( 0.0000000 0.9842989 0.9779397), wk = 0.0027027 k( 150) = ( 0.0000000 0.9553489 0.9491767), wk = 0.0027027 k( 151) = ( 0.0000000 0.9263989 0.9204138), wk = 0.0027027 k( 152) = ( 0.0000000 0.8974490 0.8916509), wk = 0.0027027 k( 153) = ( 0.0000000 0.8684990 0.8628879), wk = 0.0027027 k( 154) = ( 0.0000000 0.8395490 0.8341250), wk = 0.0027027 k( 155) = ( 0.0000000 0.8105991 0.8053621), wk = 0.0027027 k( 156) = ( 0.0000000 0.7816491 0.7765991), wk = 0.0027027 k( 157) = ( 0.0000000 0.7526991 0.7478362), wk = 0.0027027 k( 158) = ( 0.0000000 0.7237492 0.7190733), wk = 0.0027027 k( 159) = ( 0.0000000 0.6947992 0.6903104), wk = 0.0027027 k( 160) = ( 0.0000000 0.6658492 0.6615474), wk = 0.0027027 k( 161) = ( 0.0000000 0.6368993 0.6327845), wk = 0.0027027 k( 162) = ( 0.0000000 0.6079493 0.6040216), wk = 0.0027027 k( 163) = ( 0.0000000 0.5789993 0.5752586), wk = 0.0027027 k( 164) = ( 0.0000000 0.5500494 0.5464957), wk = 0.0027027 k( 165) = ( 0.0000000 0.5210994 0.5177328), wk = 0.0027027 k( 166) = ( 0.0000000 0.4921494 0.4889698), wk = 0.0027027 k( 167) = ( 0.0000000 0.4631995 0.4602069), wk = 0.0027027 k( 168) = ( 0.0000000 0.4342495 0.4314440), wk = 0.0027027 k( 169) = ( 0.0000000 0.4052995 0.4026810), wk = 0.0027027 k( 170) = ( 0.0000000 0.3763496 0.3739181), wk = 0.0027027 k( 171) = ( 0.0000000 0.3473996 0.3451552), wk = 0.0027027 k( 172) = ( 0.0000000 0.3184496 0.3163922), wk = 0.0027027 k( 173) = ( 0.0000000 0.2894997 0.2876293), wk = 0.0027027 k( 174) = ( 0.0000000 0.2605497 0.2588664), wk = 0.0027027 k( 175) = ( 0.0000000 0.2315997 0.2301035), wk = 0.0027027 k( 176) = ( 0.0000000 0.2026498 0.2013405), wk = 0.0027027 k( 177) = ( 0.0000000 0.1736998 0.1725776), wk = 0.0027027 k( 178) = ( 0.0000000 0.1447498 0.1438146), wk = 0.0027027 k( 179) = ( 0.0000000 0.1157999 0.1150517), wk = 0.0027027 k( 180) = ( 0.0000000 0.0868499 0.0862888), wk = 0.0027027 k( 181) = ( 0.0000000 0.0578999 0.0575259), wk = 0.0027027 k( 182) = ( 0.0000000 0.0289500 0.0287629), wk = 0.0027027 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 185) = ( 0.0384615 0.0067379 -0.0067817), wk = 0.0027027 k( 186) = ( 0.0769231 0.0134758 -0.0135635), wk = 0.0027027 k( 187) = ( 0.1153846 0.0202138 -0.0203452), wk = 0.0027027 k( 188) = ( 0.1538461 0.0269517 -0.0271269), wk = 0.0027027 k( 189) = ( 0.1923077 0.0336896 -0.0339087), wk = 0.0027027 k( 190) = ( 0.2307692 0.0404275 -0.0406904), wk = 0.0027027 k( 191) = ( 0.2692308 0.0471655 -0.0474722), wk = 0.0027027 k( 192) = ( 0.3076923 0.0539034 -0.0542539), wk = 0.0027027 k( 193) = ( 0.3461538 0.0606413 -0.0610356), wk = 0.0027027 k( 194) = ( 0.3846154 0.0673792 -0.0678174), wk = 0.0027027 k( 195) = ( 0.4230769 0.0741172 -0.0745991), wk = 0.0027027 k( 196) = ( 0.4615385 0.0808551 -0.0813808), wk = 0.0027027 k( 197) = ( 0.5000000 0.0875930 -0.0881626), wk = 0.0027027 k( 198) = ( 0.5000000 0.0875930 -0.0881626), wk = 0.0027027 k( 199) = ( 0.5097369 0.0599830 -0.0603730), wk = 0.0027027 k( 200) = ( 0.5194738 0.0323730 -0.0325835), wk = 0.0027027 k( 201) = ( 0.5292107 0.0047629 -0.0047939), wk = 0.0027027 k( 202) = ( 0.5389475 -0.0228471 0.0229956), wk = 0.0027027 k( 203) = ( 0.5486844 -0.0504571 0.0507852), wk = 0.0027027 k( 204) = ( 0.5584213 -0.0780671 0.0785748), wk = 0.0027027 k( 205) = ( 0.5681582 -0.1056771 0.1063643), wk = 0.0027027 k( 206) = ( 0.5778951 -0.1332871 0.1341539), wk = 0.0027027 k( 207) = ( 0.5876320 -0.1608972 0.1619434), wk = 0.0027027 k( 208) = ( 0.5973689 -0.1885072 0.1897330), wk = 0.0027027 k( 209) = ( 0.6071057 -0.2161172 0.2175225), wk = 0.0027027 k( 210) = ( 0.6168426 -0.2437272 0.2453121), wk = 0.0027027 k( 211) = ( 0.6265795 -0.2713372 0.2731016), wk = 0.0027027 k( 212) = ( 0.6363164 -0.2989473 0.3008912), wk = 0.0027027 k( 213) = ( 0.6460533 -0.3265573 0.3286807), wk = 0.0027027 k( 214) = ( 0.6557902 -0.3541673 0.3564703), wk = 0.0027027 k( 215) = ( 0.6655271 -0.3817773 0.3842598), wk = 0.0027027 k( 216) = ( 0.6752639 -0.4093873 0.4120494), wk = 0.0027027 k( 217) = ( 0.6850008 -0.4369973 0.4398390), wk = 0.0027027 k( 218) = ( 0.6947377 -0.4646073 0.4676285), wk = 0.0027027 k( 219) = ( 0.7044746 -0.4922174 0.4954181), wk = 0.0027027 k( 220) = ( 0.7142115 -0.5198274 0.5232076), wk = 0.0027027 k( 221) = ( 0.7239484 -0.5474374 0.5509972), wk = 0.0027027 k( 222) = ( 0.7336853 -0.5750474 0.5787867), wk = 0.0027027 k( 223) = ( 0.7434222 -0.6026574 0.6065763), wk = 0.0027027 k( 224) = ( 0.7531590 -0.6302674 0.6343658), wk = 0.0027027 k( 225) = ( 0.7628959 -0.6578775 0.6621554), wk = 0.0027027 k( 226) = ( 0.7726328 -0.6854875 0.6899450), wk = 0.0027027 k( 227) = ( 0.7823697 -0.7130975 0.7177345), wk = 0.0027027 k( 228) = ( 0.7921066 -0.7407075 0.7455241), wk = 0.0027027 k( 229) = ( 0.8018435 -0.7683175 0.7733136), wk = 0.0027027 k( 230) = ( 0.8115804 -0.7959276 0.8011032), wk = 0.0027027 k( 231) = ( 0.8213172 -0.8235376 0.8288927), wk = 0.0027027 k( 232) = ( 0.8310541 -0.8511476 0.8566823), wk = 0.0027027 k( 233) = ( 0.8407910 -0.8787576 0.8844718), wk = 0.0027027 k( 234) = ( 0.8505279 -0.9063676 0.9122614), wk = 0.0027027 k( 235) = ( 0.8602648 -0.9339776 0.9400510), wk = 0.0027027 k( 236) = ( 0.8700017 -0.9615876 0.9678405), wk = 0.0027027 k( 237) = ( 0.8797386 -0.9891977 0.9956301), wk = 0.0027027 k( 238) = ( 0.8894754 -1.0168077 1.0234196), wk = 0.0027027 k( 239) = ( 0.8992123 -1.0444177 1.0512092), wk = 0.0027027 k( 240) = ( 0.9089492 -1.0720277 1.0789987), wk = 0.0027027 k( 241) = ( 0.9186861 -1.0996377 1.1067883), wk = 0.0027027 k( 242) = ( 0.9284230 -1.1272477 1.1345778), wk = 0.0027027 k( 243) = ( 0.9381599 -1.1548578 1.1623674), wk = 0.0027027 k( 244) = ( 0.9478968 -1.1824678 1.1901569), wk = 0.0027027 k( 245) = ( 0.9576337 -1.2100778 1.2179465), wk = 0.0027027 k( 246) = ( 0.9673705 -1.2376878 1.2457360), wk = 0.0027027 k( 247) = ( 0.9771074 -1.2652978 1.2735256), wk = 0.0027027 k( 248) = ( 0.9868443 -1.2929079 1.3013152), wk = 0.0027027 k( 249) = ( 0.9965812 -1.3205179 1.3291047), wk = 0.0027027 k( 250) = ( 0.9965812 -1.3205179 1.3291047), wk = 0.0027027 k( 251) = ( 0.9706217 -1.3302123 1.3388622), wk = 0.0027027 k( 252) = ( 0.9446622 -1.3399067 1.3486196), wk = 0.0027027 k( 253) = ( 0.9446622 -1.3399067 1.3486196), wk = 0.0027027 k( 254) = ( 0.9076070 -1.3398220 1.3616871), wk = 0.0027027 k( 255) = ( 0.8705518 -1.3397373 1.3747546), wk = 0.0027027 k( 256) = ( 0.8334966 -1.3396526 1.3878222), wk = 0.0027027 k( 257) = ( 0.7964415 -1.3395679 1.4008897), wk = 0.0027027 k( 258) = ( 0.7593863 -1.3394832 1.4139572), wk = 0.0027027 k( 259) = ( 0.7223311 -1.3393985 1.4270247), wk = 0.0027027 k( 260) = ( 0.6852759 -1.3393138 1.4400923), wk = 0.0027027 k( 261) = ( 0.6482207 -1.3392291 1.4531598), wk = 0.0027027 k( 262) = ( 0.6111655 -1.3391444 1.4662273), wk = 0.0027027 k( 263) = ( 0.5741104 -1.3390597 1.4792948), wk = 0.0027027 k( 264) = ( 0.5370552 -1.3389750 1.4923624), wk = 0.0027027 k( 265) = ( 0.5000000 -1.3388903 1.5054299), wk = 0.0027027 k( 266) = ( 0.5000000 1.5140763 1.3291047), wk = 0.0027027 k( 267) = ( 0.5000000 1.4855466 1.3007594), wk = 0.0027027 k( 268) = ( 0.5000000 1.4570169 1.2724140), wk = 0.0027027 k( 269) = ( 0.5000000 1.4284873 1.2440687), wk = 0.0027027 k( 270) = ( 0.5000000 1.3999576 1.2157233), wk = 0.0027027 k( 271) = ( 0.5000000 1.3714279 1.1873780), wk = 0.0027027 k( 272) = ( 0.5000000 1.3428983 1.1590327), wk = 0.0027027 k( 273) = ( 0.5000000 1.3143686 1.1306873), wk = 0.0027027 k( 274) = ( 0.5000000 1.2858390 1.1023419), wk = 0.0027027 k( 275) = ( 0.5000000 1.2573093 1.0739966), wk = 0.0027027 k( 276) = ( 0.5000000 1.2287796 1.0456513), wk = 0.0027027 k( 277) = ( 0.5000000 1.2002500 1.0173059), wk = 0.0027027 k( 278) = ( 0.5000000 1.1717203 0.9889606), wk = 0.0027027 k( 279) = ( 0.5000000 1.1431906 0.9606152), wk = 0.0027027 k( 280) = ( 0.5000000 1.1146610 0.9322699), wk = 0.0027027 k( 281) = ( 0.5000000 1.0861313 0.9039245), wk = 0.0027027 k( 282) = ( 0.5000000 1.0576016 0.8755792), wk = 0.0027027 k( 283) = ( 0.5000000 1.0290720 0.8472338), wk = 0.0027027 k( 284) = ( 0.5000000 1.0005423 0.8188885), wk = 0.0027027 k( 285) = ( 0.5000000 0.9720126 0.7905432), wk = 0.0027027 k( 286) = ( 0.5000000 0.9434830 0.7621978), wk = 0.0027027 k( 287) = ( 0.5000000 0.9149533 0.7338524), wk = 0.0027027 k( 288) = ( 0.5000000 0.8864236 0.7055071), wk = 0.0027027 k( 289) = ( 0.5000000 0.8578940 0.6771618), wk = 0.0027027 k( 290) = ( 0.5000000 0.8293643 0.6488164), wk = 0.0027027 k( 291) = ( 0.5000000 0.8008346 0.6204711), wk = 0.0027027 k( 292) = ( 0.5000000 0.7723050 0.5921257), wk = 0.0027027 k( 293) = ( 0.5000000 0.7437753 0.5637804), wk = 0.0027027 k( 294) = ( 0.5000000 0.7152456 0.5354350), wk = 0.0027027 k( 295) = ( 0.5000000 0.6867160 0.5070897), wk = 0.0027027 k( 296) = ( 0.5000000 0.6581863 0.4787443), wk = 0.0027027 k( 297) = ( 0.5000000 0.6296567 0.4503990), wk = 0.0027027 k( 298) = ( 0.5000000 0.6011270 0.4220536), wk = 0.0027027 k( 299) = ( 0.5000000 0.5725973 0.3937083), wk = 0.0027027 k( 300) = ( 0.5000000 0.5440677 0.3653630), wk = 0.0027027 k( 301) = ( 0.5000000 0.5155380 0.3370176), wk = 0.0027027 k( 302) = ( 0.5000000 0.4870083 0.3086722), wk = 0.0027027 k( 303) = ( 0.5000000 0.4584787 0.2803269), wk = 0.0027027 k( 304) = ( 0.5000000 0.4299490 0.2519816), wk = 0.0027027 k( 305) = ( 0.5000000 0.4014193 0.2236362), wk = 0.0027027 k( 306) = ( 0.5000000 0.3728897 0.1952909), wk = 0.0027027 k( 307) = ( 0.5000000 0.3443600 0.1669455), wk = 0.0027027 k( 308) = ( 0.5000000 0.3158303 0.1386002), wk = 0.0027027 k( 309) = ( 0.5000000 0.2873007 0.1102548), wk = 0.0027027 k( 310) = ( 0.5000000 0.2587710 0.0819095), wk = 0.0027027 k( 311) = ( 0.5000000 0.2302413 0.0535641), wk = 0.0027027 k( 312) = ( 0.5000000 0.2017117 0.0252188), wk = 0.0027027 k( 313) = ( 0.5000000 0.1731820 -0.0031265), wk = 0.0027027 k( 314) = ( 0.5000000 0.1446523 -0.0314719), wk = 0.0027027 k( 315) = ( 0.5000000 0.1161227 -0.0598172), wk = 0.0027027 k( 316) = ( 0.5000000 0.0875930 -0.0881626), wk = 0.0027027 k( 317) = ( 0.0000000 1.5053983 1.4956724), wk = 0.0027027 k( 318) = ( 0.0276689 1.5102455 1.4907937), wk = 0.0027027 k( 319) = ( 0.0553378 1.5150927 1.4859150), wk = 0.0027027 k( 320) = ( 0.9446622 -1.3399067 1.3486196), wk = 0.0027027 k( 321) = ( 0.9076070 -1.3463982 1.3551534), wk = 0.0027027 k( 322) = ( 0.8705518 -1.3528898 1.3616871), wk = 0.0027027 k( 323) = ( 0.8334966 -1.3593813 1.3682209), wk = 0.0027027 k( 324) = ( 0.7964415 -1.3658729 1.3747547), wk = 0.0027027 k( 325) = ( 0.7593863 -1.3723644 1.3812884), wk = 0.0027027 k( 326) = ( 0.7223311 -1.3788560 1.3878222), wk = 0.0027027 k( 327) = ( 0.6852759 -1.3853475 1.3943559), wk = 0.0027027 k( 328) = ( 0.6482207 -1.3918391 1.4008897), wk = 0.0027027 k( 329) = ( 0.6111655 -1.3983306 1.4074235), wk = 0.0027027 k( 330) = ( 0.5741104 -1.4048222 1.4139572), wk = 0.0027027 k( 331) = ( 0.5370552 -1.4113137 1.4204910), wk = 0.0027027 k( 332) = ( 0.5000000 -1.4178053 1.4270247), wk = 0.0027027 k( 333) = ( 0.5000000 0.0875930 1.4172673), wk = 0.0027027 k( 334) = ( 0.4864865 0.0852256 1.3789628), wk = 0.0027027 k( 335) = ( 0.4729730 0.0828582 1.3406583), wk = 0.0027027 k( 336) = ( 0.4594595 0.0804909 1.3023537), wk = 0.0027027 k( 337) = ( 0.4459459 0.0781235 1.2640492), wk = 0.0027027 k( 338) = ( 0.4324324 0.0757561 1.2257447), wk = 0.0027027 k( 339) = ( 0.4189189 0.0733887 1.1874402), wk = 0.0027027 k( 340) = ( 0.4054054 0.0710213 1.1491357), wk = 0.0027027 k( 341) = ( 0.3918919 0.0686540 1.1108311), wk = 0.0027027 k( 342) = ( 0.3783784 0.0662866 1.0725266), wk = 0.0027027 k( 343) = ( 0.3648649 0.0639192 1.0342221), wk = 0.0027027 k( 344) = ( 0.3513514 0.0615518 0.9959176), wk = 0.0027027 k( 345) = ( 0.3378378 0.0591845 0.9576130), wk = 0.0027027 k( 346) = ( 0.3243243 0.0568171 0.9193085), wk = 0.0027027 k( 347) = ( 0.3108108 0.0544497 0.8810040), wk = 0.0027027 k( 348) = ( 0.2972973 0.0520823 0.8426995), wk = 0.0027027 k( 349) = ( 0.2837838 0.0497149 0.8043949), wk = 0.0027027 k( 350) = ( 0.2702703 0.0473476 0.7660904), wk = 0.0027027 k( 351) = ( 0.2567568 0.0449802 0.7277859), wk = 0.0027027 k( 352) = ( 0.2432432 0.0426128 0.6894814), wk = 0.0027027 k( 353) = ( 0.2297297 0.0402454 0.6511769), wk = 0.0027027 k( 354) = ( 0.2162162 0.0378781 0.6128724), wk = 0.0027027 k( 355) = ( 0.2027027 0.0355107 0.5745678), wk = 0.0027027 k( 356) = ( 0.1891892 0.0331433 0.5362633), wk = 0.0027027 k( 357) = ( 0.1756757 0.0307759 0.4979588), wk = 0.0027027 k( 358) = ( 0.1621622 0.0284085 0.4596543), wk = 0.0027027 k( 359) = ( 0.1486486 0.0260412 0.4213497), wk = 0.0027027 k( 360) = ( 0.1351351 0.0236738 0.3830452), wk = 0.0027027 k( 361) = ( 0.1216216 0.0213064 0.3447407), wk = 0.0027027 k( 362) = ( 0.1081081 0.0189390 0.3064362), wk = 0.0027027 k( 363) = ( 0.0945946 0.0165716 0.2681316), wk = 0.0027027 k( 364) = ( 0.0810811 0.0142043 0.2298271), wk = 0.0027027 k( 365) = ( 0.0675676 0.0118369 0.1915226), wk = 0.0027027 k( 366) = ( 0.0540540 0.0094695 0.1532181), wk = 0.0027027 k( 367) = ( 0.0405405 0.0071021 0.1149136), wk = 0.0027027 k( 368) = ( 0.0270270 0.0047348 0.0766091), wk = 0.0027027 k( 369) = ( 0.0135135 0.0023674 0.0383045), wk = 0.0027027 k( 370) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0098039 0.0000000 0.0098039), wk = 0.0027027 k( 3) = ( 0.0196078 0.0000000 0.0196078), wk = 0.0027027 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0027027 k( 5) = ( 0.0392157 0.0000000 0.0392157), wk = 0.0027027 k( 6) = ( 0.0490196 0.0000000 0.0490196), wk = 0.0027027 k( 7) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0027027 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0027027 k( 9) = ( 0.0784314 0.0000000 0.0784314), wk = 0.0027027 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0027027 k( 11) = ( 0.0980392 0.0000000 0.0980392), wk = 0.0027027 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0027027 k( 13) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0027027 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0027027 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0027027 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0027027 k( 17) = ( 0.1568627 0.0000000 0.1568627), wk = 0.0027027 k( 18) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0027027 k( 19) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0027027 k( 20) = ( 0.1862745 0.0000000 0.1862745), wk = 0.0027027 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0027027 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0027027 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0027027 k( 24) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0027027 k( 25) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0027027 k( 26) = ( 0.2450980 0.0000000 0.2450980), wk = 0.0027027 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0027027 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0027027 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0027027 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0027027 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0027027 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0027027 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0027027 k( 34) = ( 0.3235294 0.0000000 0.3235294), wk = 0.0027027 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0027027 k( 36) = ( 0.3431373 0.0000000 0.3431373), wk = 0.0027027 k( 37) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0027027 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0027027 k( 39) = ( 0.3725490 0.0000000 0.3725490), wk = 0.0027027 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0027027 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0027027 k( 42) = ( 0.4019608 0.0000000 0.4019608), wk = 0.0027027 k( 43) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0027027 k( 44) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0027027 k( 45) = ( 0.4313726 0.0000000 0.4313726), wk = 0.0027027 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0027027 k( 47) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0027027 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0027027 k( 49) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0027027 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0027027 k( 51) = ( 0.4901961 0.0000000 0.4901961), wk = 0.0027027 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 54) = ( 0.5000000 0.0087369 0.5087369), wk = 0.0027027 k( 55) = ( 0.5000000 0.0174738 0.5174738), wk = 0.0027027 k( 56) = ( 0.5000000 0.0262107 0.5262107), wk = 0.0027027 k( 57) = ( 0.5000000 0.0262107 0.5262107), wk = 0.0027027 k( 58) = ( 0.4930059 0.0328838 0.5258896), wk = 0.0027027 k( 59) = ( 0.4860118 0.0395568 0.5255686), wk = 0.0027027 k( 60) = ( 0.4790177 0.0462299 0.5252476), wk = 0.0027027 k( 61) = ( 0.4720236 0.0529030 0.5249266), wk = 0.0027027 k( 62) = ( 0.4650295 0.0595761 0.5246056), wk = 0.0027027 k( 63) = ( 0.4580354 0.0662492 0.5242846), wk = 0.0027027 k( 64) = ( 0.4510413 0.0729223 0.5239636), wk = 0.0027027 k( 65) = ( 0.4440472 0.0795954 0.5236426), wk = 0.0027027 k( 66) = ( 0.4370531 0.0862685 0.5233216), wk = 0.0027027 k( 67) = ( 0.4300590 0.0929416 0.5230005), wk = 0.0027027 k( 68) = ( 0.4230649 0.0996147 0.5226795), wk = 0.0027027 k( 69) = ( 0.4160708 0.1062877 0.5223585), wk = 0.0027027 k( 70) = ( 0.4090767 0.1129608 0.5220375), wk = 0.0027027 k( 71) = ( 0.4020826 0.1196339 0.5217165), wk = 0.0027027 k( 72) = ( 0.3950885 0.1263070 0.5213955), wk = 0.0027027 k( 73) = ( 0.3880944 0.1329801 0.5210745), wk = 0.0027027 k( 74) = ( 0.3811003 0.1396532 0.5207535), wk = 0.0027027 k( 75) = ( 0.3741062 0.1463263 0.5204325), wk = 0.0027027 k( 76) = ( 0.3671121 0.1529994 0.5201114), wk = 0.0027027 k( 77) = ( 0.3601180 0.1596724 0.5197904), wk = 0.0027027 k( 78) = ( 0.3531239 0.1663455 0.5194694), wk = 0.0027027 k( 79) = ( 0.3461298 0.1730186 0.5191484), wk = 0.0027027 k( 80) = ( 0.3391357 0.1796917 0.5188274), wk = 0.0027027 k( 81) = ( 0.3321416 0.1863648 0.5185064), wk = 0.0027027 k( 82) = ( 0.3251475 0.1930379 0.5181854), wk = 0.0027027 k( 83) = ( 0.3181534 0.1997110 0.5178643), wk = 0.0027027 k( 84) = ( 0.3111593 0.2063841 0.5175433), wk = 0.0027027 k( 85) = ( 0.3041652 0.2130572 0.5172223), wk = 0.0027027 k( 86) = ( 0.2971711 0.2197302 0.5169013), wk = 0.0027027 k( 87) = ( 0.2901770 0.2264033 0.5165803), wk = 0.0027027 k( 88) = ( 0.2831829 0.2330764 0.5162593), wk = 0.0027027 k( 89) = ( 0.2761888 0.2397495 0.5159383), wk = 0.0027027 k( 90) = ( 0.2691947 0.2464226 0.5156173), wk = 0.0027027 k( 91) = ( 0.2622006 0.2530957 0.5152963), wk = 0.0027027 k( 92) = ( 0.2552064 0.2597688 0.5149752), wk = 0.0027027 k( 93) = ( 0.2482123 0.2664419 0.5146542), wk = 0.0027027 k( 94) = ( 0.2412182 0.2731150 0.5143332), wk = 0.0027027 k( 95) = ( 0.2342241 0.2797881 0.5140122), wk = 0.0027027 k( 96) = ( 0.2272300 0.2864611 0.5136912), wk = 0.0027027 k( 97) = ( 0.2202360 0.2931342 0.5133702), wk = 0.0027027 k( 98) = ( 0.2132419 0.2998073 0.5130492), wk = 0.0027027 k( 99) = ( 0.2062478 0.3064804 0.5127282), wk = 0.0027027 k( 100) = ( 0.1992536 0.3131535 0.5124072), wk = 0.0027027 k( 101) = ( 0.1922595 0.3198266 0.5120861), wk = 0.0027027 k( 102) = ( 0.1852654 0.3264997 0.5117651), wk = 0.0027027 k( 103) = ( 0.1782713 0.3331728 0.5114441), wk = 0.0027027 k( 104) = ( 0.1712772 0.3398459 0.5111231), wk = 0.0027027 k( 105) = ( 0.1642831 0.3465190 0.5108021), wk = 0.0027027 k( 106) = ( 0.1572890 0.3531920 0.5104811), wk = 0.0027027 k( 107) = ( 0.1502949 0.3598651 0.5101601), wk = 0.0027027 k( 108) = ( 0.1433008 0.3665382 0.5098390), wk = 0.0027027 k( 109) = ( 0.1363067 0.3732113 0.5095180), wk = 0.0027027 k( 110) = ( 0.1293126 0.3798844 0.5091970), wk = 0.0027027 k( 111) = ( 0.1223185 0.3865575 0.5088760), wk = 0.0027027 k( 112) = ( 0.1153244 0.3932306 0.5085550), wk = 0.0027027 k( 113) = ( 0.1083303 0.3999037 0.5082340), wk = 0.0027027 k( 114) = ( 0.1013362 0.4065767 0.5079130), wk = 0.0027027 k( 115) = ( 0.0943421 0.4132498 0.5075920), wk = 0.0027027 k( 116) = ( 0.0873480 0.4199229 0.5072709), wk = 0.0027027 k( 117) = ( 0.0803539 0.4265960 0.5069499), wk = 0.0027027 k( 118) = ( 0.0733598 0.4332691 0.5066289), wk = 0.0027027 k( 119) = ( 0.0663657 0.4399422 0.5063079), wk = 0.0027027 k( 120) = ( 0.0593716 0.4466153 0.5059869), wk = 0.0027027 k( 121) = ( 0.0523775 0.4532884 0.5056659), wk = 0.0027027 k( 122) = ( 0.0453834 0.4599615 0.5053449), wk = 0.0027027 k( 123) = ( 0.0383893 0.4666345 0.5050239), wk = 0.0027027 k( 124) = ( 0.0313952 0.4733076 0.5047029), wk = 0.0027027 k( 125) = ( 0.0244011 0.4799807 0.5043818), wk = 0.0027027 k( 126) = ( 0.0174070 0.4866538 0.5040608), wk = 0.0027027 k( 127) = ( 0.0104129 0.4933269 0.5037398), wk = 0.0027027 k( 128) = ( 0.0034188 0.5000000 0.5034188), wk = 0.0027027 k( 129) = ( 0.0034188 0.5000000 0.5034188), wk = 0.0027027 k( 130) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 131) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 132) = ( 0.0000000 0.4903846 0.4903846), wk = 0.0027027 k( 133) = ( 0.0000000 0.4807692 0.4807692), wk = 0.0027027 k( 134) = ( 0.0000000 0.4711538 0.4711538), wk = 0.0027027 k( 135) = ( 0.0000000 0.4615385 0.4615385), wk = 0.0027027 k( 136) = ( 0.0000000 0.4519231 0.4519231), wk = 0.0027027 k( 137) = ( 0.0000000 0.4423077 0.4423077), wk = 0.0027027 k( 138) = ( 0.0000000 0.4326923 0.4326923), wk = 0.0027027 k( 139) = ( 0.0000000 0.4230769 0.4230769), wk = 0.0027027 k( 140) = ( 0.0000000 0.4134615 0.4134615), wk = 0.0027027 k( 141) = ( 0.0000000 0.4038462 0.4038462), wk = 0.0027027 k( 142) = ( 0.0000000 0.3942308 0.3942308), wk = 0.0027027 k( 143) = ( 0.0000000 0.3846154 0.3846154), wk = 0.0027027 k( 144) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0027027 k( 145) = ( 0.0000000 0.3653846 0.3653846), wk = 0.0027027 k( 146) = ( 0.0000000 0.3557692 0.3557692), wk = 0.0027027 k( 147) = ( 0.0000000 0.3461538 0.3461538), wk = 0.0027027 k( 148) = ( 0.0000000 0.3365385 0.3365385), wk = 0.0027027 k( 149) = ( 0.0000000 0.3269231 0.3269231), wk = 0.0027027 k( 150) = ( 0.0000000 0.3173077 0.3173077), wk = 0.0027027 k( 151) = ( 0.0000000 0.3076923 0.3076923), wk = 0.0027027 k( 152) = ( 0.0000000 0.2980769 0.2980769), wk = 0.0027027 k( 153) = ( 0.0000000 0.2884615 0.2884615), wk = 0.0027027 k( 154) = ( 0.0000000 0.2788462 0.2788461), wk = 0.0027027 k( 155) = ( 0.0000000 0.2692308 0.2692308), wk = 0.0027027 k( 156) = ( 0.0000000 0.2596154 0.2596154), wk = 0.0027027 k( 157) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0027027 k( 158) = ( 0.0000000 0.2403846 0.2403846), wk = 0.0027027 k( 159) = ( 0.0000000 0.2307692 0.2307692), wk = 0.0027027 k( 160) = ( 0.0000000 0.2211539 0.2211539), wk = 0.0027027 k( 161) = ( 0.0000000 0.2115385 0.2115385), wk = 0.0027027 k( 162) = ( 0.0000000 0.2019231 0.2019231), wk = 0.0027027 k( 163) = ( 0.0000000 0.1923077 0.1923077), wk = 0.0027027 k( 164) = ( 0.0000000 0.1826923 0.1826923), wk = 0.0027027 k( 165) = ( 0.0000000 0.1730769 0.1730769), wk = 0.0027027 k( 166) = ( 0.0000000 0.1634615 0.1634615), wk = 0.0027027 k( 167) = ( 0.0000000 0.1538461 0.1538461), wk = 0.0027027 k( 168) = ( 0.0000000 0.1442308 0.1442308), wk = 0.0027027 k( 169) = ( 0.0000000 0.1346154 0.1346154), wk = 0.0027027 k( 170) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0027027 k( 171) = ( 0.0000000 0.1153846 0.1153846), wk = 0.0027027 k( 172) = ( 0.0000000 0.1057692 0.1057692), wk = 0.0027027 k( 173) = ( 0.0000000 0.0961538 0.0961539), wk = 0.0027027 k( 174) = ( 0.0000000 0.0865385 0.0865385), wk = 0.0027027 k( 175) = ( 0.0000000 0.0769231 0.0769231), wk = 0.0027027 k( 176) = ( 0.0000000 0.0673077 0.0673077), wk = 0.0027027 k( 177) = ( 0.0000000 0.0576923 0.0576923), wk = 0.0027027 k( 178) = ( 0.0000000 0.0480769 0.0480769), wk = 0.0027027 k( 179) = ( 0.0000000 0.0384615 0.0384615), wk = 0.0027027 k( 180) = ( 0.0000000 0.0288461 0.0288462), wk = 0.0027027 k( 181) = ( 0.0000000 0.0192308 0.0192308), wk = 0.0027027 k( 182) = ( 0.0000000 0.0096154 0.0096154), wk = 0.0027027 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 185) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0027027 k( 186) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0027027 k( 187) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0027027 k( 188) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0027027 k( 189) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0027027 k( 190) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0027027 k( 191) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0027027 k( 192) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0027027 k( 193) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0027027 k( 194) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0027027 k( 195) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0027027 k( 196) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0027027 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027 k( 198) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027 k( 199) = ( 0.5097369 0.5000000 0.0097369), wk = 0.0027027 k( 200) = ( 0.5194738 0.5000000 0.0194738), wk = 0.0027027 k( 201) = ( 0.5292107 0.5000000 0.0292107), wk = 0.0027027 k( 202) = ( 0.5389475 0.5000000 0.0389475), wk = 0.0027027 k( 203) = ( 0.5486844 0.5000000 0.0486844), wk = 0.0027027 k( 204) = ( 0.5584213 0.5000000 0.0584213), wk = 0.0027027 k( 205) = ( 0.5681582 0.5000000 0.0681582), wk = 0.0027027 k( 206) = ( 0.5778951 0.5000000 0.0778951), wk = 0.0027027 k( 207) = ( 0.5876320 0.5000000 0.0876320), wk = 0.0027027 k( 208) = ( 0.5973689 0.5000000 0.0973689), wk = 0.0027027 k( 209) = ( 0.6071057 0.5000000 0.1071057), wk = 0.0027027 k( 210) = ( 0.6168426 0.5000000 0.1168426), wk = 0.0027027 k( 211) = ( 0.6265795 0.5000000 0.1265795), wk = 0.0027027 k( 212) = ( 0.6363164 0.5000000 0.1363164), wk = 0.0027027 k( 213) = ( 0.6460533 0.5000000 0.1460533), wk = 0.0027027 k( 214) = ( 0.6557902 0.5000000 0.1557902), wk = 0.0027027 k( 215) = ( 0.6655271 0.5000000 0.1655271), wk = 0.0027027 k( 216) = ( 0.6752639 0.5000000 0.1752640), wk = 0.0027027 k( 217) = ( 0.6850008 0.5000000 0.1850008), wk = 0.0027027 k( 218) = ( 0.6947377 0.5000000 0.1947377), wk = 0.0027027 k( 219) = ( 0.7044746 0.5000000 0.2044746), wk = 0.0027027 k( 220) = ( 0.7142115 0.5000000 0.2142115), wk = 0.0027027 k( 221) = ( 0.7239484 0.5000000 0.2239484), wk = 0.0027027 k( 222) = ( 0.7336853 0.5000000 0.2336853), wk = 0.0027027 k( 223) = ( 0.7434222 0.5000000 0.2434221), wk = 0.0027027 k( 224) = ( 0.7531590 0.5000000 0.2531590), wk = 0.0027027 k( 225) = ( 0.7628959 0.5000000 0.2628959), wk = 0.0027027 k( 226) = ( 0.7726328 0.5000000 0.2726328), wk = 0.0027027 k( 227) = ( 0.7823697 0.5000000 0.2823697), wk = 0.0027027 k( 228) = ( 0.7921066 0.5000000 0.2921066), wk = 0.0027027 k( 229) = ( 0.8018435 0.5000000 0.3018435), wk = 0.0027027 k( 230) = ( 0.8115804 0.5000000 0.3115804), wk = 0.0027027 k( 231) = ( 0.8213172 0.5000000 0.3213172), wk = 0.0027027 k( 232) = ( 0.8310541 0.5000000 0.3310541), wk = 0.0027027 k( 233) = ( 0.8407910 0.5000000 0.3407910), wk = 0.0027027 k( 234) = ( 0.8505279 0.5000000 0.3505279), wk = 0.0027027 k( 235) = ( 0.8602648 0.5000000 0.3602648), wk = 0.0027027 k( 236) = ( 0.8700017 0.5000000 0.3700017), wk = 0.0027027 k( 237) = ( 0.8797386 0.5000000 0.3797386), wk = 0.0027027 k( 238) = ( 0.8894754 0.5000000 0.3894754), wk = 0.0027027 k( 239) = ( 0.8992123 0.5000000 0.3992123), wk = 0.0027027 k( 240) = ( 0.9089492 0.5000000 0.4089492), wk = 0.0027027 k( 241) = ( 0.9186861 0.5000000 0.4186861), wk = 0.0027027 k( 242) = ( 0.9284230 0.5000000 0.4284230), wk = 0.0027027 k( 243) = ( 0.9381599 0.5000000 0.4381599), wk = 0.0027027 k( 244) = ( 0.9478968 0.5000000 0.4478968), wk = 0.0027027 k( 245) = ( 0.9576337 0.5000000 0.4576337), wk = 0.0027027 k( 246) = ( 0.9673705 0.5000000 0.4673705), wk = 0.0027027 k( 247) = ( 0.9771074 0.5000000 0.4771074), wk = 0.0027027 k( 248) = ( 0.9868443 0.5000000 0.4868443), wk = 0.0027027 k( 249) = ( 0.9965812 0.5000000 0.4965812), wk = 0.0027027 k( 250) = ( 0.9965812 0.5000000 0.4965812), wk = 0.0027027 k( 251) = ( 0.9706217 0.4723311 0.4982906), wk = 0.0027027 k( 252) = ( 0.9446622 0.4446622 0.5000000), wk = 0.0027027 k( 253) = ( 0.9446622 0.4446622 0.5000000), wk = 0.0027027 k( 254) = ( 0.9076070 0.4097912 0.5021842), wk = 0.0027027 k( 255) = ( 0.8705518 0.3749203 0.5043684), wk = 0.0027027 k( 256) = ( 0.8334966 0.3400493 0.5065527), wk = 0.0027027 k( 257) = ( 0.7964415 0.3051784 0.5087369), wk = 0.0027027 k( 258) = ( 0.7593863 0.2703074 0.5109211), wk = 0.0027027 k( 259) = ( 0.7223311 0.2354364 0.5131053), wk = 0.0027027 k( 260) = ( 0.6852759 0.2005655 0.5152895), wk = 0.0027027 k( 261) = ( 0.6482207 0.1656945 0.5174738), wk = 0.0027027 k( 262) = ( 0.6111655 0.1308236 0.5196580), wk = 0.0027027 k( 263) = ( 0.5741104 0.0959526 0.5218422), wk = 0.0027027 k( 264) = ( 0.5370552 0.0610816 0.5240264), wk = 0.0027027 k( 265) = ( 0.5000000 0.0262107 0.5262107), wk = 0.0027027 k( 266) = ( 0.5000000 0.9737893 0.4737893), wk = 0.0027027 k( 267) = ( 0.5000000 0.9643135 0.4643135), wk = 0.0027027 k( 268) = ( 0.5000000 0.9548378 0.4548378), wk = 0.0027027 k( 269) = ( 0.5000000 0.9453620 0.4453620), wk = 0.0027027 k( 270) = ( 0.5000000 0.9358862 0.4358862), wk = 0.0027027 k( 271) = ( 0.5000000 0.9264104 0.4264104), wk = 0.0027027 k( 272) = ( 0.5000000 0.9169346 0.4169346), wk = 0.0027027 k( 273) = ( 0.5000000 0.9074588 0.4074588), wk = 0.0027027 k( 274) = ( 0.5000000 0.8979830 0.3979830), wk = 0.0027027 k( 275) = ( 0.5000000 0.8885073 0.3885073), wk = 0.0027027 k( 276) = ( 0.5000000 0.8790315 0.3790315), wk = 0.0027027 k( 277) = ( 0.5000000 0.8695557 0.3695557), wk = 0.0027027 k( 278) = ( 0.5000000 0.8600799 0.3600799), wk = 0.0027027 k( 279) = ( 0.5000000 0.8506041 0.3506041), wk = 0.0027027 k( 280) = ( 0.5000000 0.8411283 0.3411283), wk = 0.0027027 k( 281) = ( 0.5000000 0.8316525 0.3316525), wk = 0.0027027 k( 282) = ( 0.5000000 0.8221768 0.3221767), wk = 0.0027027 k( 283) = ( 0.5000000 0.8127010 0.3127010), wk = 0.0027027 k( 284) = ( 0.5000000 0.8032252 0.3032252), wk = 0.0027027 k( 285) = ( 0.5000000 0.7937494 0.2937494), wk = 0.0027027 k( 286) = ( 0.5000000 0.7842736 0.2842736), wk = 0.0027027 k( 287) = ( 0.5000000 0.7747978 0.2747978), wk = 0.0027027 k( 288) = ( 0.5000000 0.7653220 0.2653220), wk = 0.0027027 k( 289) = ( 0.5000000 0.7558462 0.2558462), wk = 0.0027027 k( 290) = ( 0.5000000 0.7463705 0.2463704), wk = 0.0027027 k( 291) = ( 0.5000000 0.7368947 0.2368947), wk = 0.0027027 k( 292) = ( 0.5000000 0.7274189 0.2274189), wk = 0.0027027 k( 293) = ( 0.5000000 0.7179431 0.2179431), wk = 0.0027027 k( 294) = ( 0.5000000 0.7084673 0.2084673), wk = 0.0027027 k( 295) = ( 0.5000000 0.6989915 0.1989915), wk = 0.0027027 k( 296) = ( 0.5000000 0.6895157 0.1895157), wk = 0.0027027 k( 297) = ( 0.5000000 0.6800399 0.1800400), wk = 0.0027027 k( 298) = ( 0.5000000 0.6705642 0.1705642), wk = 0.0027027 k( 299) = ( 0.5000000 0.6610884 0.1610884), wk = 0.0027027 k( 300) = ( 0.5000000 0.6516126 0.1516126), wk = 0.0027027 k( 301) = ( 0.5000000 0.6421368 0.1421368), wk = 0.0027027 k( 302) = ( 0.5000000 0.6326610 0.1326610), wk = 0.0027027 k( 303) = ( 0.5000000 0.6231852 0.1231852), wk = 0.0027027 k( 304) = ( 0.5000000 0.6137094 0.1137094), wk = 0.0027027 k( 305) = ( 0.5000000 0.6042336 0.1042336), wk = 0.0027027 k( 306) = ( 0.5000000 0.5947579 0.0947579), wk = 0.0027027 k( 307) = ( 0.5000000 0.5852821 0.0852821), wk = 0.0027027 k( 308) = ( 0.5000000 0.5758063 0.0758063), wk = 0.0027027 k( 309) = ( 0.5000000 0.5663305 0.0663305), wk = 0.0027027 k( 310) = ( 0.5000000 0.5568547 0.0568547), wk = 0.0027027 k( 311) = ( 0.5000000 0.5473789 0.0473789), wk = 0.0027027 k( 312) = ( 0.5000000 0.5379031 0.0379031), wk = 0.0027027 k( 313) = ( 0.5000000 0.5284274 0.0284274), wk = 0.0027027 k( 314) = ( 0.5000000 0.5189516 0.0189516), wk = 0.0027027 k( 315) = ( 0.5000000 0.5094758 0.0094758), wk = 0.0027027 k( 316) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027 k( 317) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 318) = ( 0.0276689 0.5276689 0.5000000), wk = 0.0027027 k( 319) = ( 0.0553378 0.5553378 0.5000000), wk = 0.0027027 k( 320) = ( 0.9446622 0.4446622 0.5000000), wk = 0.0027027 k( 321) = ( 0.9076070 0.4076070 0.5000000), wk = 0.0027027 k( 322) = ( 0.8705518 0.3705518 0.5000000), wk = 0.0027027 k( 323) = ( 0.8334966 0.3334967 0.5000000), wk = 0.0027027 k( 324) = ( 0.7964415 0.2964415 0.5000000), wk = 0.0027027 k( 325) = ( 0.7593863 0.2593863 0.5000000), wk = 0.0027027 k( 326) = ( 0.7223311 0.2223311 0.5000000), wk = 0.0027027 k( 327) = ( 0.6852759 0.1852759 0.5000000), wk = 0.0027027 k( 328) = ( 0.6482207 0.1482207 0.5000000), wk = 0.0027027 k( 329) = ( 0.6111655 0.1111655 0.5000000), wk = 0.0027027 k( 330) = ( 0.5741104 0.0741104 0.5000000), wk = 0.0027027 k( 331) = ( 0.5370552 0.0370552 0.5000000), wk = 0.0027027 k( 332) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 333) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 334) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0027027 k( 335) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0027027 k( 336) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0027027 k( 337) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0027027 k( 338) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0027027 k( 339) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0027027 k( 340) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0027027 k( 341) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0027027 k( 342) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0027027 k( 343) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0027027 k( 344) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0027027 k( 345) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0027027 k( 346) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0027027 k( 347) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0027027 k( 348) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0027027 k( 349) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0027027 k( 350) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0027027 k( 351) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0027027 k( 352) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0027027 k( 353) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0027027 k( 354) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0027027 k( 355) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0027027 k( 356) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0027027 k( 357) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0027027 k( 358) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0027027 k( 359) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0027027 k( 360) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0027027 k( 361) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0027027 k( 362) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0027027 k( 363) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0027027 k( 364) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0027027 k( 365) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0027027 k( 366) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0027027 k( 367) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0027027 k( 368) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0027027 k( 369) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0027027 k( 370) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 Dense grid: 82333 G-vectors FFT dimensions: ( 120, 120, 40) Smooth grid: 68799 G-vectors FFT dimensions: ( 108, 108, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 382, 48) NL pseudopotentials 0.28 Mb ( 191, 96) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.01 Mb ( 1717) G-vector shells 0.01 Mb ( 1584) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 382, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.14 Mb ( 96, 2, 48) The potential is recalculated from file : ./PbSe.save/charge-density.dat negative rho (up, down): 1.277E-07 0.000E+00 Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 48.0 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 53.6 secs Computing kpt #: 6 total cpu time spent up to now is 56.3 secs Computing kpt #: 7 total cpu time spent up to now is 59.0 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 64.6 secs Computing kpt #: 10 total cpu time spent up to now is 67.3 secs Computing kpt #: 11 total cpu time spent up to now is 69.9 secs Computing kpt #: 12 total cpu time spent up to now is 72.5 secs Computing kpt #: 13 total cpu time spent up to now is 75.1 secs Computing kpt #: 14 total cpu time spent up to now is 77.7 secs Computing kpt #: 15 total cpu time spent up to now is 80.5 secs Computing kpt #: 16 total cpu time spent up to now is 83.0 secs Computing kpt #: 17 total cpu time spent up to now is 85.5 secs Computing kpt #: 18 total cpu time spent up to now is 88.0 secs Computing kpt #: 19 total cpu time spent up to now is 90.7 secs Computing kpt #: 20 total cpu time spent up to now is 93.3 secs Computing kpt #: 21 total cpu time spent up to now is 95.8 secs Computing kpt #: 22 total cpu time spent up to now is 98.4 secs Computing kpt #: 23 total cpu time spent up to now is 100.9 secs Computing kpt #: 24 total cpu time spent up to now is 103.4 secs Computing kpt #: 25 total cpu time spent up to now is 105.8 secs Computing kpt #: 26 total cpu time spent up to now is 108.3 secs Computing kpt #: 27 total cpu time spent up to now is 110.8 secs Computing kpt #: 28 total cpu time spent up to now is 113.3 secs Computing kpt #: 29 total cpu time spent up to now is 115.9 secs Computing kpt #: 30 total cpu time spent up to now is 118.4 secs Computing kpt #: 31 total cpu time spent up to now is 121.0 secs Computing kpt #: 32 total cpu time spent up to now is 123.4 secs Computing kpt #: 33 total cpu time spent up to now is 125.9 secs Computing kpt #: 34 total cpu time spent up to now is 128.5 secs Computing kpt #: 35 total cpu time spent up to now is 131.1 secs Computing kpt #: 36 total cpu time spent up to now is 133.8 secs Computing kpt #: 37 total cpu time spent up to now is 136.6 secs Computing kpt #: 38 total cpu time spent up to now is 139.5 secs Computing kpt #: 39 total cpu time spent up to now is 142.8 secs Computing kpt #: 40 total cpu time spent up to now is 146.3 secs Computing kpt #: 41 total cpu time spent up to now is 150.2 secs Computing kpt #: 42 total cpu time spent up to now is 153.7 secs Computing kpt #: 43 total cpu time spent up to now is 157.9 secs Computing kpt #: 44 total cpu time spent up to now is 161.5 secs Computing kpt #: 45 total cpu time spent up to now is 165.1 secs Computing kpt #: 46 total cpu time spent up to now is 168.7 secs Computing kpt #: 47 total cpu time spent up to now is 172.1 secs Computing kpt #: 48 total cpu time spent up to now is 175.6 secs Computing kpt #: 49 total cpu time spent up to now is 179.0 secs Computing kpt #: 50 total cpu time spent up to now is 182.3 secs Computing kpt #: 51 total cpu time spent up to now is 185.7 secs Computing kpt #: 52 total cpu time spent up to now is 188.7 secs Computing kpt #: 53 total cpu time spent up to now is 191.6 secs Computing kpt #: 54 total cpu time spent up to now is 194.7 secs Computing kpt #: 55 total cpu time spent up to now is 197.7 secs Computing kpt #: 56 total cpu time spent up to now is 200.7 secs Computing kpt #: 57 total cpu time spent up to now is 203.7 secs Computing kpt #: 58 total cpu time spent up to now is 206.8 secs Computing kpt #: 59 total cpu time spent up to now is 210.0 secs Computing kpt #: 60 total cpu time spent up to now is 213.1 secs Computing kpt #: 61 total cpu time spent up to now is 216.2 secs Computing kpt #: 62 total cpu time spent up to now is 219.2 secs Computing kpt #: 63 total cpu time spent up to now is 222.3 secs Computing kpt #: 64 total cpu time spent up to now is 225.3 secs Computing kpt #: 65 total cpu time spent up to now is 228.3 secs Computing kpt #: 66 total cpu time spent up to now is 231.2 secs Computing kpt #: 67 total cpu time spent up to now is 234.2 secs Computing kpt #: 68 total cpu time spent up to now is 237.0 secs Computing kpt #: 69 total cpu time spent up to now is 239.8 secs Computing kpt #: 70 total cpu time spent up to now is 242.5 secs Computing kpt #: 71 total cpu time spent up to now is 245.1 secs Computing kpt #: 72 total cpu time spent up to now is 247.6 secs Computing kpt #: 73 total cpu time spent up to now is 250.1 secs Computing kpt #: 74 total cpu time spent up to now is 252.8 secs Computing kpt #: 75 total cpu time spent up to now is 255.3 secs Computing kpt #: 76 total cpu time spent up to now is 257.9 secs Computing kpt #: 77 total cpu time spent up to now is 260.4 secs Computing kpt #: 78 total cpu time spent up to now is 263.1 secs Computing kpt #: 79 total cpu time spent up to now is 265.6 secs Computing kpt #: 80 total cpu time spent up to now is 268.1 secs Computing kpt #: 81 total cpu time spent up to now is 270.6 secs Computing kpt #: 82 total cpu time spent up to now is 273.1 secs Computing kpt #: 83 total cpu time spent up to now is 275.6 secs Computing kpt #: 84 total cpu time spent up to now is 278.1 secs Computing kpt #: 85 total cpu time spent up to now is 280.6 secs Computing kpt #: 86 total cpu time spent up to now is 283.2 secs Computing kpt #: 87 total cpu time spent up to now is 285.8 secs Computing kpt #: 88 total cpu time spent up to now is 288.5 secs Computing kpt #: 89 total cpu time spent up to now is 291.1 secs Computing kpt #: 90 total cpu time spent up to now is 293.7 secs Computing kpt #: 91 total cpu time spent up to now is 296.3 secs Computing kpt #: 92 total cpu time spent up to now is 298.8 secs Computing kpt #: 93 total cpu time spent up to now is 301.4 secs Computing kpt #: 94 total cpu time spent up to now is 303.9 secs Computing kpt #: 95 total cpu time spent up to now is 306.4 secs Computing kpt #: 96 total cpu time spent up to now is 309.0 secs Computing kpt #: 97 total cpu time spent up to now is 311.5 secs Computing kpt #: 98 total cpu time spent up to now is 314.1 secs Computing kpt #: 99 total cpu time spent up to now is 316.6 secs Computing kpt #: 100 total cpu time spent up to now is 319.1 secs Computing kpt #: 101 total cpu time spent up to now is 321.8 secs Computing kpt #: 102 total cpu time spent up to now is 324.4 secs Computing kpt #: 103 total cpu time spent up to now is 326.9 secs Computing kpt #: 104 total cpu time spent up to now is 329.6 secs Computing kpt #: 105 total cpu time spent up to now is 332.1 secs Computing kpt #: 106 total cpu time spent up to now is 334.6 secs Computing kpt #: 107 total cpu time spent up to now is 337.1 secs Computing kpt #: 108 total cpu time spent up to now is 339.5 secs Computing kpt #: 109 total cpu time spent up to now is 342.0 secs Computing kpt #: 110 total cpu time spent up to now is 344.5 secs Computing kpt #: 111 total cpu time spent up to now is 346.9 secs Computing kpt #: 112 total cpu time spent up to now is 349.5 secs Computing kpt #: 113 total cpu time spent up to now is 352.0 secs Computing kpt #: 114 total cpu time spent up to now is 354.7 secs Computing kpt #: 115 total cpu time spent up to now is 357.5 secs Computing kpt #: 116 total cpu time spent up to now is 360.4 secs Computing kpt #: 117 total cpu time spent up to now is 363.7 secs Computing kpt #: 118 total cpu time spent up to now is 366.8 secs Computing kpt #: 119 total cpu time spent up to now is 369.9 secs Computing kpt #: 120 total cpu time spent up to now is 372.9 secs Computing kpt #: 121 total cpu time spent up to now is 375.8 secs Computing kpt #: 122 total cpu time spent up to now is 378.9 secs Computing kpt #: 123 total cpu time spent up to now is 381.9 secs Computing kpt #: 124 total cpu time spent up to now is 385.2 secs Computing kpt #: 125 total cpu time spent up to now is 388.5 secs Computing kpt #: 126 total cpu time spent up to now is 391.9 secs Computing kpt #: 127 total cpu time spent up to now is 395.2 secs Computing kpt #: 128 total cpu time spent up to now is 398.5 secs Computing kpt #: 129 total cpu time spent up to now is 401.9 secs Computing kpt #: 130 total cpu time spent up to now is 405.1 secs Computing kpt #: 131 total cpu time spent up to now is 408.5 secs Computing kpt #: 132 total cpu time spent up to now is 411.5 secs Computing kpt #: 133 total cpu time spent up to now is 414.6 secs Computing kpt #: 134 total cpu time spent up to now is 417.7 secs Computing kpt #: 135 total cpu time spent up to now is 421.0 secs Computing kpt #: 136 total cpu time spent up to now is 424.4 secs Computing kpt #: 137 total cpu time spent up to now is 427.5 secs Computing kpt #: 138 total cpu time spent up to now is 430.7 secs Computing kpt #: 139 total cpu time spent up to now is 434.0 secs Computing kpt #: 140 total cpu time spent up to now is 437.3 secs Computing kpt #: 141 total cpu time spent up to now is 440.6 secs Computing kpt #: 142 total cpu time spent up to now is 443.9 secs Computing kpt #: 143 total cpu time spent up to now is 447.3 secs Computing kpt #: 144 total cpu time spent up to now is 450.9 secs Computing kpt #: 145 total cpu time spent up to now is 454.3 secs Computing kpt #: 146 total cpu time spent up to now is 457.7 secs Computing kpt #: 147 total cpu time spent up to now is 461.9 secs Computing kpt #: 148 total cpu time spent up to now is 465.1 secs Computing kpt #: 149 total cpu time spent up to now is 467.9 secs Computing kpt #: 150 total cpu time spent up to now is 470.6 secs Computing kpt #: 151 total cpu time spent up to now is 473.1 secs Computing kpt #: 152 total cpu time spent up to now is 475.7 secs Computing kpt #: 153 total cpu time spent up to now is 478.2 secs Computing kpt #: 154 total cpu time spent up to now is 480.9 secs Computing kpt #: 155 total cpu time spent up to now is 483.4 secs Computing kpt #: 156 total cpu time spent up to now is 485.9 secs Computing kpt #: 157 total cpu time spent up to now is 488.4 secs Computing kpt #: 158 total cpu time spent up to now is 491.0 secs Computing kpt #: 159 total cpu time spent up to now is 493.6 secs Computing kpt #: 160 total cpu time spent up to now is 496.1 secs Computing kpt #: 161 total cpu time spent up to now is 498.7 secs Computing kpt #: 162 total cpu time spent up to now is 501.3 secs Computing kpt #: 163 total cpu time spent up to now is 503.9 secs Computing kpt #: 164 total cpu time spent up to now is 506.5 secs Computing kpt #: 165 total cpu time spent up to now is 509.2 secs Computing kpt #: 166 total cpu time spent up to now is 512.0 secs Computing kpt #: 167 total cpu time spent up to now is 514.7 secs Computing kpt #: 168 total cpu time spent up to now is 517.4 secs Computing kpt #: 169 total cpu time spent up to now is 520.2 secs Computing kpt #: 170 total cpu time spent up to now is 523.2 secs Computing kpt #: 171 total cpu time spent up to now is 526.1 secs Computing kpt #: 172 total cpu time spent up to now is 529.4 secs Computing kpt #: 173 total cpu time spent up to now is 532.3 secs Computing kpt #: 174 total cpu time spent up to now is 535.3 secs Computing kpt #: 175 total cpu time spent up to now is 538.3 secs Computing kpt #: 176 total cpu time spent up to now is 541.1 secs Computing kpt #: 177 total cpu time spent up to now is 544.0 secs Computing kpt #: 178 total cpu time spent up to now is 546.8 secs Computing kpt #: 179 total cpu time spent up to now is 549.5 secs Computing kpt #: 180 total cpu time spent up to now is 552.3 secs Computing kpt #: 181 total cpu time spent up to now is 555.1 secs Computing kpt #: 182 total cpu time spent up to now is 557.9 secs Computing kpt #: 183 total cpu time spent up to now is 560.6 secs Computing kpt #: 184 total cpu time spent up to now is 563.3 secs Computing kpt #: 185 total cpu time spent up to now is 566.1 secs Computing kpt #: 186 total cpu time spent up to now is 568.8 secs Computing kpt #: 187 total cpu time spent up to now is 571.6 secs Computing kpt #: 188 total cpu time spent up to now is 574.4 secs Computing kpt #: 189 total cpu time spent up to now is 577.3 secs Computing kpt #: 190 total cpu time spent up to now is 580.1 secs Computing kpt #: 191 total cpu time spent up to now is 583.1 secs Computing kpt #: 192 total cpu time spent up to now is 586.0 secs Computing kpt #: 193 total cpu time spent up to now is 589.1 secs Computing kpt #: 194 total cpu time spent up to now is 592.4 secs Computing kpt #: 195 total cpu time spent up to now is 595.7 secs Computing kpt #: 196 total cpu time spent up to now is 599.2 secs Computing kpt #: 197 total cpu time spent up to now is 602.6 secs Computing kpt #: 198 total cpu time spent up to now is 605.9 secs Computing kpt #: 199 total cpu time spent up to now is 609.8 secs Computing kpt #: 200 total cpu time spent up to now is 614.1 secs Computing kpt #: 201 total cpu time spent up to now is 618.4 secs Computing kpt #: 202 total cpu time spent up to now is 622.9 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 628.4 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 633.8 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 639.3 secs Computing kpt #: 206 total cpu time spent up to now is 643.3 secs Computing kpt #: 207 total cpu time spent up to now is 646.7 secs Computing kpt #: 208 total cpu time spent up to now is 650.0 secs Computing kpt #: 209 total cpu time spent up to now is 652.8 secs Computing kpt #: 210 total cpu time spent up to now is 655.5 secs Computing kpt #: 211 total cpu time spent up to now is 658.2 secs Computing kpt #: 212 total cpu time spent up to now is 660.7 secs Computing kpt #: 213 total cpu time spent up to now is 663.6 secs Computing kpt #: 214 total cpu time spent up to now is 666.2 secs Computing kpt #: 215 total cpu time spent up to now is 668.7 secs Computing kpt #: 216 total cpu time spent up to now is 671.3 secs Computing kpt #: 217 total cpu time spent up to now is 673.8 secs Computing kpt #: 218 total cpu time spent up to now is 676.3 secs Computing kpt #: 219 total cpu time spent up to now is 678.8 secs Computing kpt #: 220 total cpu time spent up to now is 681.2 secs Computing kpt #: 221 total cpu time spent up to now is 683.7 secs Computing kpt #: 222 total cpu time spent up to now is 686.2 secs Computing kpt #: 223 total cpu time spent up to now is 688.7 secs Computing kpt #: 224 total cpu time spent up to now is 691.2 secs Computing kpt #: 225 total cpu time spent up to now is 693.6 secs Computing kpt #: 226 total cpu time spent up to now is 696.2 secs Computing kpt #: 227 total cpu time spent up to now is 698.7 secs Computing kpt #: 228 total cpu time spent up to now is 701.2 secs Computing kpt #: 229 total cpu time spent up to now is 703.7 secs Computing kpt #: 230 total cpu time spent up to now is 706.1 secs Computing kpt #: 231 total cpu time spent up to now is 708.7 secs Computing kpt #: 232 total cpu time spent up to now is 711.2 secs Computing kpt #: 233 total cpu time spent up to now is 713.8 secs Computing kpt #: 234 total cpu time spent up to now is 716.5 secs Computing kpt #: 235 total cpu time spent up to now is 719.3 secs Computing kpt #: 236 total cpu time spent up to now is 722.5 secs Computing kpt #: 237 total cpu time spent up to now is 726.0 secs Computing kpt #: 238 total cpu time spent up to now is 730.0 secs Computing kpt #: 239 total cpu time spent up to now is 734.1 secs Computing kpt #: 240 total cpu time spent up to now is 738.3 secs Computing kpt #: 241 total cpu time spent up to now is 742.2 secs Computing kpt #: 242 total cpu time spent up to now is 745.6 secs Computing kpt #: 243 total cpu time spent up to now is 749.0 secs Computing kpt #: 244 total cpu time spent up to now is 752.4 secs Computing kpt #: 245 total cpu time spent up to now is 757.7 secs Computing kpt #: 246 total cpu time spent up to now is 761.1 secs Computing kpt #: 247 total cpu time spent up to now is 764.4 secs Computing kpt #: 248 total cpu time spent up to now is 767.7 secs Computing kpt #: 249 total cpu time spent up to now is 771.0 secs Computing kpt #: 250 total cpu time spent up to now is 774.0 secs Computing kpt #: 251 total cpu time spent up to now is 777.1 secs Computing kpt #: 252 total cpu time spent up to now is 780.4 secs Computing kpt #: 253 total cpu time spent up to now is 783.7 secs Computing kpt #: 254 total cpu time spent up to now is 786.9 secs Computing kpt #: 255 total cpu time spent up to now is 790.0 secs Computing kpt #: 256 total cpu time spent up to now is 793.0 secs Computing kpt #: 257 total cpu time spent up to now is 796.0 secs Computing kpt #: 258 total cpu time spent up to now is 799.0 secs Computing kpt #: 259 total cpu time spent up to now is 802.0 secs Computing kpt #: 260 total cpu time spent up to now is 805.1 secs Computing kpt #: 261 total cpu time spent up to now is 808.1 secs Computing kpt #: 262 total cpu time spent up to now is 811.2 secs Computing kpt #: 263 total cpu time spent up to now is 814.4 secs Computing kpt #: 264 total cpu time spent up to now is 817.4 secs Computing kpt #: 265 total cpu time spent up to now is 820.4 secs Computing kpt #: 266 total cpu time spent up to now is 823.4 secs Computing kpt #: 267 total cpu time spent up to now is 826.4 secs Computing kpt #: 268 total cpu time spent up to now is 829.5 secs Computing kpt #: 269 total cpu time spent up to now is 832.4 secs Computing kpt #: 270 total cpu time spent up to now is 835.5 secs Computing kpt #: 271 total cpu time spent up to now is 838.7 secs Computing kpt #: 272 total cpu time spent up to now is 842.0 secs Computing kpt #: 273 total cpu time spent up to now is 845.3 secs Computing kpt #: 274 total cpu time spent up to now is 848.7 secs Computing kpt #: 275 total cpu time spent up to now is 852.0 secs Computing kpt #: 276 total cpu time spent up to now is 855.5 secs Computing kpt #: 277 total cpu time spent up to now is 859.3 secs Computing kpt #: 278 total cpu time spent up to now is 863.0 secs Computing kpt #: 279 total cpu time spent up to now is 866.5 secs Computing kpt #: 280 total cpu time spent up to now is 869.7 secs Computing kpt #: 281 total cpu time spent up to now is 872.5 secs Computing kpt #: 282 total cpu time spent up to now is 875.4 secs Computing kpt #: 283 total cpu time spent up to now is 878.1 secs Computing kpt #: 284 total cpu time spent up to now is 880.6 secs Computing kpt #: 285 total cpu time spent up to now is 883.2 secs Computing kpt #: 286 total cpu time spent up to now is 885.7 secs Computing kpt #: 287 total cpu time spent up to now is 888.2 secs Computing kpt #: 288 total cpu time spent up to now is 890.7 secs Computing kpt #: 289 total cpu time spent up to now is 893.2 secs Computing kpt #: 290 total cpu time spent up to now is 895.7 secs Computing kpt #: 291 total cpu time spent up to now is 898.2 secs Computing kpt #: 292 total cpu time spent up to now is 900.7 secs Computing kpt #: 293 total cpu time spent up to now is 903.2 secs Computing kpt #: 294 total cpu time spent up to now is 905.8 secs Computing kpt #: 295 total cpu time spent up to now is 908.3 secs Computing kpt #: 296 total cpu time spent up to now is 910.9 secs Computing kpt #: 297 total cpu time spent up to now is 913.4 secs Computing kpt #: 298 total cpu time spent up to now is 916.0 secs Computing kpt #: 299 total cpu time spent up to now is 918.6 secs Computing kpt #: 300 total cpu time spent up to now is 921.4 secs Computing kpt #: 301 total cpu time spent up to now is 924.2 secs Computing kpt #: 302 total cpu time spent up to now is 927.3 secs Computing kpt #: 303 total cpu time spent up to now is 930.5 secs Computing kpt #: 304 total cpu time spent up to now is 933.8 secs Computing kpt #: 305 total cpu time spent up to now is 937.2 secs Computing kpt #: 306 total cpu time spent up to now is 940.7 secs Computing kpt #: 307 total cpu time spent up to now is 944.7 secs Computing kpt #: 308 total cpu time spent up to now is 948.3 secs Computing kpt #: 309 total cpu time spent up to now is 951.7 secs Computing kpt #: 310 total cpu time spent up to now is 955.1 secs Computing kpt #: 311 total cpu time spent up to now is 958.5 secs Computing kpt #: 312 total cpu time spent up to now is 961.9 secs Computing kpt #: 313 total cpu time spent up to now is 965.5 secs Computing kpt #: 314 total cpu time spent up to now is 968.8 secs Computing kpt #: 315 total cpu time spent up to now is 972.3 secs Computing kpt #: 316 total cpu time spent up to now is 975.6 secs Computing kpt #: 317 total cpu time spent up to now is 978.9 secs Computing kpt #: 318 total cpu time spent up to now is 981.9 secs Computing kpt #: 319 total cpu time spent up to now is 984.9 secs Computing kpt #: 320 total cpu time spent up to now is 987.9 secs Computing kpt #: 321 total cpu time spent up to now is 991.2 secs Computing kpt #: 322 total cpu time spent up to now is 994.2 secs Computing kpt #: 323 total cpu time spent up to now is 997.3 secs Computing kpt #: 324 total cpu time spent up to now is 1000.3 secs Computing kpt #: 325 total cpu time spent up to now is 1003.4 secs Computing kpt #: 326 total cpu time spent up to now is 1006.4 secs Computing kpt #: 327 total cpu time spent up to now is 1009.4 secs Computing kpt #: 328 total cpu time spent up to now is 1012.4 secs Computing kpt #: 329 total cpu time spent up to now is 1015.5 secs Computing kpt #: 330 total cpu time spent up to now is 1018.5 secs Computing kpt #: 331 total cpu time spent up to now is 1021.6 secs Computing kpt #: 332 total cpu time spent up to now is 1024.8 secs Computing kpt #: 333 total cpu time spent up to now is 1027.3 secs Computing kpt #: 334 total cpu time spent up to now is 1029.8 secs Computing kpt #: 335 total cpu time spent up to now is 1032.4 secs Computing kpt #: 336 total cpu time spent up to now is 1034.9 secs Computing kpt #: 337 total cpu time spent up to now is 1037.5 secs Computing kpt #: 338 total cpu time spent up to now is 1040.2 secs Computing kpt #: 339 total cpu time spent up to now is 1042.8 secs Computing kpt #: 340 total cpu time spent up to now is 1045.5 secs Computing kpt #: 341 total cpu time spent up to now is 1048.0 secs Computing kpt #: 342 total cpu time spent up to now is 1050.7 secs Computing kpt #: 343 total cpu time spent up to now is 1053.2 secs Computing kpt #: 344 total cpu time spent up to now is 1055.8 secs Computing kpt #: 345 total cpu time spent up to now is 1058.4 secs Computing kpt #: 346 total cpu time spent up to now is 1061.0 secs Computing kpt #: 347 total cpu time spent up to now is 1063.5 secs Computing kpt #: 348 total cpu time spent up to now is 1066.0 secs Computing kpt #: 349 total cpu time spent up to now is 1068.6 secs Computing kpt #: 350 total cpu time spent up to now is 1071.3 secs Computing kpt #: 351 total cpu time spent up to now is 1074.2 secs Computing kpt #: 352 total cpu time spent up to now is 1077.4 secs Computing kpt #: 353 total cpu time spent up to now is 1080.8 secs Computing kpt #: 354 total cpu time spent up to now is 1084.1 secs Computing kpt #: 355 total cpu time spent up to now is 1087.5 secs Computing kpt #: 356 total cpu time spent up to now is 1090.5 secs Computing kpt #: 357 total cpu time spent up to now is 1093.6 secs Computing kpt #: 358 total cpu time spent up to now is 1096.6 secs Computing kpt #: 359 total cpu time spent up to now is 1099.7 secs Computing kpt #: 360 total cpu time spent up to now is 1102.6 secs Computing kpt #: 361 total cpu time spent up to now is 1105.7 secs Computing kpt #: 362 total cpu time spent up to now is 1108.6 secs Computing kpt #: 363 total cpu time spent up to now is 1111.5 secs Computing kpt #: 364 total cpu time spent up to now is 1114.2 secs Computing kpt #: 365 total cpu time spent up to now is 1117.0 secs Computing kpt #: 366 total cpu time spent up to now is 1119.8 secs Computing kpt #: 367 total cpu time spent up to now is 1122.5 secs Computing kpt #: 368 total cpu time spent up to now is 1125.3 secs Computing kpt #: 369 total cpu time spent up to now is 1128.1 secs Computing kpt #: 370 total cpu time spent up to now is 1130.8 secs ethr = 2.50E-11, avg # of iterations = 37.2 total cpu time spent up to now is 1131.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8611 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5582 -1.5582 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5612 1.5612 2.6765 2.6765 4.6962 4.6962 5.6096 5.6096 5.8087 5.8087 k = 0.0098-0.0278 0.0280 ( 8601 PWs) bands (ev): -16.1785 -16.1784 -16.1719 -16.1718 -16.1561 -16.1560 -16.1542 -16.1541 -13.6678 -13.6677 -13.6188 -13.6188 -13.6013 -13.6012 -13.5987 -13.5987 -13.5900 -13.5899 -13.5760 -13.5760 -11.1344 -11.1343 -10.0769 -10.0766 -5.5382 -5.5379 -4.3981 -4.3980 -1.5582 -1.5568 -1.0088 -1.0071 -0.4726 -0.4692 -0.1059 -0.1058 0.4957 0.5001 1.5604 1.5606 2.6763 2.6777 4.6970 4.6972 5.5901 5.6036 5.7997 5.8185 k = 0.0196-0.0556 0.0560 ( 8603 PWs) bands (ev): -16.1785 -16.1784 -16.1719 -16.1718 -16.1562 -16.1558 -16.1542 -16.1541 -13.6677 -13.6675 -13.6188 -13.6187 -13.6013 -13.6011 -13.5987 -13.5986 -13.5901 -13.5899 -13.5761 -13.5761 -11.1318 -11.1315 -10.0760 -10.0755 -5.5443 -5.5438 -4.4065 -4.4062 -1.5569 -1.5540 -1.0100 -1.0067 -0.4645 -0.4580 -0.1044 -0.1040 0.5036 0.5122 1.5581 1.5586 2.6769 2.6797 4.6994 4.6997 5.5482 5.5728 5.7906 5.8266 k = 0.0294-0.0834 0.0839 ( 8597 PWs) bands (ev): -16.1784 -16.1783 -16.1719 -16.1717 -16.1563 -16.1557 -16.1543 -16.1541 -13.6675 -13.6673 -13.6187 -13.6186 -13.6013 -13.6010 -13.5986 -13.5985 -13.5902 -13.5900 -13.5763 -13.5763 -11.1274 -11.1270 -10.0745 -10.0737 -5.5542 -5.5534 -4.4203 -4.4199 -1.5541 -1.5498 -1.0120 -1.0073 -0.4494 -0.4399 -0.1026 -0.1018 0.5187 0.5314 1.5544 1.5551 2.6784 2.6827 4.7033 4.7039 5.4878 5.5211 5.7772 5.8289 k = 0.0392-0.1112 0.1119 ( 8601 PWs) bands (ev): -16.1784 -16.1782 -16.1719 -16.1716 -16.1564 -16.1556 -16.1543 -16.1540 -13.6672 -13.6669 -13.6186 -13.6184 -13.6013 -13.6008 -13.5985 -13.5984 -13.5904 -13.5901 -13.5765 -13.5765 -11.1212 -11.1207 -10.0723 -10.0712 -5.5677 -5.5667 -4.4392 -4.4387 -1.5498 -1.5441 -1.0155 -1.0099 -0.4264 -0.4144 -0.1015 -0.1000 0.5415 0.5580 1.5491 1.5501 2.6809 2.6866 4.7085 4.7093 5.4120 5.4519 5.7561 5.8224 k = 0.0490-0.1390 0.1399 ( 8609 PWs) bands (ev): -16.1783 -16.1781 -16.1719 -16.1715 -16.1565 -16.1555 -16.1543 -16.1540 -13.6668 -13.6664 -13.6185 -13.6182 -13.6012 -13.6006 -13.5984 -13.5982 -13.5906 -13.5903 -13.5768 -13.5768 -11.1132 -11.1126 -10.0694 -10.0681 -5.5846 -5.5834 -4.4630 -4.4623 -1.5440 -1.5369 -1.0213 -1.0153 -0.3949 -0.3808 -0.1025 -0.0998 0.5726 0.5925 1.5424 1.5437 2.6844 2.6916 4.7146 4.7158 5.3233 5.3677 5.7252 5.8043 k = 0.0588-0.1668 0.1679 ( 8591 PWs) bands (ev): -16.1782 -16.1779 -16.1719 -16.1715 -16.1565 -16.1554 -16.1544 -16.1540 -13.6663 -13.6659 -13.6183 -13.6180 -13.6012 -13.6004 -13.5983 -13.5979 -13.5908 -13.5905 -13.5772 -13.5771 -11.1035 -11.1028 -10.0659 -10.0644 -5.6046 -5.6031 -4.4912 -4.4904 -1.5366 -1.5280 -1.0302 -1.0241 -0.3544 -0.3388 -0.1064 -0.1021 0.6121 0.6351 1.5341 1.5358 2.6889 2.6977 4.7209 4.7225 5.2243 5.2709 5.6832 5.7725 k = 0.0686-0.1946 0.1959 ( 8575 PWs) bands (ev): -16.1781 -16.1777 -16.1718 -16.1713 -16.1566 -16.1553 -16.1544 -16.1540 -13.6657 -13.6652 -13.6181 -13.6178 -13.6011 -13.6002 -13.5983 -13.5977 -13.5910 -13.5908 -13.5776 -13.5776 -11.0920 -11.0912 -10.0618 -10.0600 -5.6271 -5.6254 -4.5234 -4.5225 -1.5275 -1.5175 -1.0426 -1.0369 -0.3049 -0.2882 -0.1140 -0.1076 0.6597 0.6855 1.5243 1.5264 2.6945 2.7050 4.7260 4.7282 5.1180 5.1646 5.6293 5.7251 k = 0.0784-0.2224 0.2238 ( 8577 PWs) bands (ev): -16.1779 -16.1775 -16.1718 -16.1712 -16.1567 -16.1552 -16.1545 -16.1540 -13.6651 -13.6645 -13.6178 -13.6176 -13.6010 -13.5999 -13.5982 -13.5974 -13.5912 -13.5911 -13.5780 -13.5780 -11.0788 -11.0779 -10.0571 -10.0551 -5.6519 -5.6500 -4.5592 -4.5581 -1.5167 -1.5052 -1.0587 -1.0536 -0.2468 -0.2291 -0.1258 -0.1164 0.7148 0.7429 1.5130 1.5156 2.7011 2.7134 4.7266 4.7291 5.0097 5.0540 5.5629 5.6609 k = 0.0882-0.2502 0.2518 ( 8581 PWs) bands (ev): -16.1778 -16.1773 -16.1717 -16.1711 -16.1568 -16.1551 -16.1545 -16.1540 -13.6644 -13.6638 -13.6176 -13.6173 -13.6009 -13.5997 -13.5982 -13.5971 -13.5915 -13.5914 -13.5786 -13.5786 -11.0638 -11.0628 -10.0519 -10.0496 -5.6785 -5.6763 -4.5981 -4.5969 -1.5044 -1.4913 -1.0783 -1.0740 -0.1828 -0.1620 -0.1416 -0.1267 0.7758 0.8062 1.5004 1.5036 2.7086 2.7229 4.7134 4.7144 4.9120 4.9503 5.4843 5.5799 k = 0.0980-0.2780 0.2798 ( 8587 PWs) bands (ev): -16.1776 -16.1771 -16.1716 -16.1710 -16.1568 -16.1550 -16.1546 -16.1540 -13.6636 -13.6630 -13.6173 -13.6171 -13.6008 -13.5995 -13.5983 -13.5968 -13.5919 -13.5915 -13.5792 -13.5791 -11.0471 -11.0460 -10.0460 -10.0436 -5.7064 -5.7040 -4.6396 -4.6382 -1.4908 -1.4758 -1.1012 -1.0976 -0.1618 -0.1541 -0.0978 -0.0872 0.8409 0.8734 1.4866 1.4906 2.7170 2.7333 4.6593 4.6657 4.8509 4.8761 5.3948 5.4838 k = 0.1078-0.3058 0.3078 ( 8595 PWs) bands (ev): -16.1774 -16.1769 -16.1716 -16.1709 -16.1569 -16.1549 -16.1546 -16.1540 -13.6627 -13.6622 -13.6170 -13.6168 -13.6008 -13.5995 -13.5982 -13.5965 -13.5922 -13.5916 -13.5798 -13.5797 -11.0288 -11.0276 -10.0397 -10.0371 -5.7353 -5.7326 -4.6832 -4.6817 -1.4762 -1.4591 -1.1267 -1.1237 -0.1856 -0.1715 -0.0198 -0.0062 0.9078 0.9424 1.4721 1.4771 2.7259 2.7445 4.5625 4.5744 4.8281 4.8409 5.2981 5.3766 k = 0.1176-0.3336 0.3358 ( 8617 PWs) bands (ev): -16.1772 -16.1766 -16.1715 -16.1708 -16.1570 -16.1548 -16.1547 -16.1540 -13.6618 -13.6613 -13.6168 -13.6166 -13.6007 -13.5997 -13.5980 -13.5963 -13.5925 -13.5916 -13.5805 -13.5803 -11.0087 -11.0075 -10.0329 -10.0301 -5.7645 -5.7617 -4.7284 -4.7267 -1.4614 -1.4418 -1.1539 -1.1510 -0.2129 -0.1948 0.0665 0.0803 0.9736 1.0101 1.4574 1.4633 2.7353 2.7564 4.4513 4.4629 4.8142 4.8185 5.2018 5.2664 k = 0.1275-0.3614 0.3638 ( 8613 PWs) bands (ev): -16.1770 -16.1763 -16.1714 -16.1707 -16.1570 -16.1548 -16.1547 -16.1540 -13.6609 -13.6604 -13.6165 -13.6164 -13.6007 -13.6002 -13.5977 -13.5963 -13.5926 -13.5915 -13.5811 -13.5810 -10.9871 -10.9858 -10.0257 -10.0227 -5.7939 -5.7908 -4.7748 -4.7729 -1.4477 -1.4249 -1.1813 -1.1779 -0.2433 -0.2215 0.1577 0.1712 1.0348 1.0729 1.4431 1.4501 2.7450 2.7689 4.3405 4.3498 4.7819 4.7867 5.1204 5.1672 k = 0.1373-0.3892 0.3917 ( 8603 PWs) bands (ev): -16.1768 -16.1761 -16.1713 -16.1705 -16.1571 -16.1548 -16.1546 -16.1540 -13.6599 -13.6595 -13.6163 -13.6162 -13.6008 -13.6007 -13.5973 -13.5966 -13.5926 -13.5913 -13.5818 -13.5816 -10.9638 -10.9625 -10.0180 -10.0149 -5.8228 -5.8196 -4.8219 -4.8199 -1.4374 -1.4107 -1.2063 -1.2019 -0.2763 -0.2508 0.2521 0.2650 1.0876 1.1267 1.4299 1.4379 2.7555 2.7821 4.2369 4.2436 4.7117 4.7265 5.0705 5.0985 k = 0.1471-0.4170 0.4197 ( 8611 PWs) bands (ev): -16.1766 -16.1758 -16.1712 -16.1704 -16.1572 -16.1549 -16.1546 -16.1541 -13.6590 -13.6586 -13.6162 -13.6160 -13.6016 -13.6008 -13.5970 -13.5969 -13.5923 -13.5911 -13.5824 -13.5822 -10.9390 -10.9376 -10.0100 -10.0068 -5.8510 -5.8476 -4.8693 -4.8672 -1.4341 -1.4036 -1.2244 -1.2189 -0.3118 -0.2825 0.3481 0.3603 1.1284 1.1673 1.4179 1.4264 2.7677 2.7969 4.1442 4.1492 4.6086 4.6290 5.0530 5.0677 k = 0.1569-0.4448 0.4477 ( 8613 PWs) bands (ev): -16.1764 -16.1755 -16.1711 -16.1703 -16.1573 -16.1550 -16.1545 -16.1541 -13.6580 -13.6578 -13.6162 -13.6158 -13.6024 -13.6010 -13.5976 -13.5965 -13.5918 -13.5910 -13.5830 -13.5828 -10.9126 -10.9113 -10.0017 -9.9984 -5.8781 -5.8746 -4.9168 -4.9145 -1.4416 -1.4088 -1.2298 -1.2249 -0.3494 -0.3160 0.4440 0.4551 1.1554 1.1924 1.4049 1.4135 2.7832 2.8145 4.0638 4.0688 4.4890 4.5108 5.0555 5.0631 k = 0.1667-0.4726 0.4757 ( 8609 PWs) bands (ev): -16.1762 -16.1751 -16.1710 -16.1702 -16.1574 -16.1551 -16.1544 -16.1542 -13.6570 -13.6569 -13.6164 -13.6157 -13.6032 -13.6013 -13.5982 -13.5961 -13.5913 -13.5909 -13.5835 -13.5833 -10.8849 -10.8834 -9.9931 -9.9897 -5.9037 -5.9001 -4.9638 -4.9614 -1.4613 -1.4283 -1.2205 -1.2184 -0.3887 -0.3511 0.5374 0.5471 1.1692 1.2034 1.3853 1.3949 2.8044 2.8364 3.9934 4.0007 4.3694 4.3923 5.0682 5.0721 k = 0.1765-0.5004 0.5037 ( 8607 PWs) bands (ev): -16.1760 -16.1748 -16.1709 -16.1701 -16.1574 -16.1553 -16.1544 -16.1542 -13.6561 -13.6560 -13.6167 -13.6156 -13.6041 -13.6018 -13.5989 -13.5957 -13.5908 -13.5906 -13.5837 -13.5837 -10.8557 -10.8542 -9.9843 -9.9809 -5.9276 -5.9238 -5.0101 -5.0075 -1.4909 -1.4586 -1.2015 -1.1998 -0.4296 -0.3874 0.6253 0.6331 1.1727 1.2046 1.3523 1.3656 2.8331 2.8639 3.9262 3.9379 4.2664 4.2923 5.0861 5.0879 k = 0.1863-0.5282 0.5316 ( 8611 PWs) bands (ev): -16.1758 -16.1745 -16.1708 -16.1701 -16.1575 -16.1554 -16.1544 -16.1543 -13.6554 -13.6551 -13.6172 -13.6157 -13.6049 -13.6023 -13.5995 -13.5954 -13.5909 -13.5900 -13.5840 -13.5838 -10.8252 -10.8237 -9.9754 -9.9719 -5.9495 -5.9455 -5.0554 -5.0527 -1.5271 -1.4953 -1.1773 -1.1719 -0.4716 -0.4245 0.7041 0.7089 1.1683 1.2000 1.3018 1.3238 2.8696 2.8965 3.8534 3.8689 4.1982 4.2277 5.1066 5.1069 k = 0.1961-0.5560 0.5596 ( 8593 PWs) bands (ev): -16.1756 -16.1742 -16.1706 -16.1700 -16.1576 -16.1555 -16.1544 -16.1543 -13.6547 -13.6542 -13.6179 -13.6160 -13.6056 -13.6030 -13.6001 -13.5953 -13.5909 -13.5893 -13.5842 -13.5837 -10.7934 -10.7920 -9.9664 -9.9629 -5.9690 -5.9650 -5.0994 -5.0965 -1.5674 -1.5358 -1.1485 -1.1393 -0.5146 -0.4619 0.7691 0.7695 1.1504 1.1828 1.2439 1.2779 2.9111 2.9304 3.7761 3.7905 4.1740 4.2051 5.1273 5.1282 k = 0.2059-0.5838 0.5876 ( 8599 PWs) bands (ev): -16.1754 -16.1739 -16.1705 -16.1700 -16.1577 -16.1557 -16.1545 -16.1543 -13.6541 -13.6534 -13.6189 -13.6164 -13.6062 -13.6037 -13.6008 -13.5955 -13.5908 -13.5886 -13.5843 -13.5834 -10.7605 -10.7590 -9.9573 -9.9538 -5.9860 -5.9820 -5.1419 -5.1389 -1.6103 -1.5784 -1.1167 -1.1037 -0.5583 -0.4994 0.8100 0.8157 1.0988 1.1101 1.2257 1.2528 2.9512 2.9582 3.7095 3.7167 4.1875 4.2187 5.1482 5.1500 k = 0.2157-0.6116 0.6156 ( 8615 PWs) bands (ev): -16.1752 -16.1735 -16.1704 -16.1699 -16.1578 -16.1559 -16.1546 -16.1543 -13.6536 -13.6527 -13.6201 -13.6171 -13.6068 -13.6044 -13.6014 -13.5959 -13.5905 -13.5878 -13.5842 -13.5830 -10.7265 -10.7250 -9.9483 -9.9448 -6.0004 -5.9963 -5.1826 -5.1795 -1.6547 -1.6223 -1.0831 -1.0659 -0.6024 -0.5363 0.8269 0.8415 0.9997 1.0112 1.2324 1.2538 2.9704 2.9802 3.6671 3.6723 4.2285 4.2594 5.1689 5.1717 k = 0.2255-0.6394 0.6436 ( 8625 PWs) bands (ev): -16.1750 -16.1732 -16.1703 -16.1699 -16.1580 -16.1561 -16.1548 -16.1544 -13.6532 -13.6520 -13.6215 -13.6180 -13.6072 -13.6049 -13.6021 -13.5964 -13.5901 -13.5871 -13.5840 -13.5824 -10.6915 -10.6901 -9.9393 -9.9358 -6.0118 -6.0077 -5.2214 -5.2182 -1.6999 -1.6669 -1.0489 -1.0267 -0.6466 -0.5719 0.8117 0.8465 0.8735 0.9144 1.2422 1.2625 2.9627 2.9907 3.6563 3.6762 4.2896 4.3203 5.1894 5.1932 k = 0.2353-0.6672 0.6715 ( 8621 PWs) bands (ev): -16.1748 -16.1729 -16.1702 -16.1699 -16.1581 -16.1563 -16.1549 -16.1544 -13.6529 -13.6515 -13.6231 -13.6192 -13.6077 -13.6054 -13.6028 -13.5971 -13.5896 -13.5864 -13.5837 -13.5818 -10.6556 -10.6542 -9.9304 -9.9270 -6.0202 -6.0162 -5.2581 -5.2547 -1.7454 -1.7117 -1.0153 -0.9871 -0.6901 -0.6052 0.7295 0.7298 0.8424 0.8572 1.2447 1.2643 2.9420 2.9846 3.6871 3.7195 4.3655 4.3964 5.2101 5.2149 k = 0.2451-0.6950 0.6995 ( 8621 PWs) bands (ev): -16.1747 -16.1726 -16.1700 -16.1700 -16.1582 -16.1565 -16.1551 -16.1544 -13.6527 -13.6511 -13.6248 -13.6206 -13.6081 -13.6057 -13.6035 -13.5978 -13.5890 -13.5857 -13.5832 -13.5811 -10.6190 -10.6176 -9.9217 -9.9184 -6.0255 -6.0215 -5.2924 -5.2889 -1.7910 -1.7564 -0.9844 -0.9488 -0.7317 -0.6345 0.5810 0.6008 0.8254 0.8283 1.2311 1.2491 2.9220 2.9737 3.7510 3.7921 4.4521 4.4833 5.2322 5.2380 k = 0.2549-0.7228 0.7275 ( 8621 PWs) bands (ev): -16.1746 -16.1723 -16.1700 -16.1699 -16.1583 -16.1568 -16.1552 -16.1544 -13.6527 -13.6508 -13.6266 -13.6223 -13.6085 -13.6061 -13.6041 -13.5985 -13.5883 -13.5850 -13.5826 -13.5804 -10.5817 -10.5804 -9.9132 -9.9100 -6.0277 -6.0237 -5.3244 -5.3208 -1.8363 -1.8008 -0.9586 -0.9161 -0.7673 -0.6574 0.4262 0.4588 0.8010 0.8025 1.1963 1.2114 2.9144 2.9706 3.8367 3.8835 4.5454 4.5769 5.2576 5.2645 k = 0.2647-0.7506 0.7555 ( 8621 PWs) bands (ev): -16.1745 -16.1720 -16.1701 -16.1698 -16.1585 -16.1570 -16.1554 -16.1545 -13.6528 -13.6507 -13.6285 -13.6241 -13.6090 -13.6065 -13.6046 -13.5991 -13.5876 -13.5843 -13.5820 -13.5797 -10.5440 -10.5427 -9.9050 -9.9018 -6.0265 -6.0227 -5.3537 -5.3500 -1.8810 -1.8446 -0.9419 -0.9021 -0.7843 -0.6706 0.2678 0.3118 0.7720 0.7757 1.1383 1.1497 2.9251 2.9826 3.9352 3.9865 4.6408 4.6723 5.2897 5.2971 k = 0.2745-0.7784 0.7835 ( 8603 PWs) bands (ev): -16.1744 -16.1717 -16.1702 -16.1696 -16.1586 -16.1573 -16.1555 -16.1545 -13.6530 -13.6508 -13.6304 -13.6261 -13.6095 -13.6070 -13.6048 -13.5997 -13.5869 -13.5837 -13.5813 -13.5790 -10.5058 -10.5046 -9.8971 -9.8940 -6.0222 -6.0184 -5.3804 -5.3766 -1.9250 -1.8876 -0.9373 -0.9203 -0.7702 -0.6712 0.1079 0.1632 0.7413 0.7465 1.0589 1.0661 2.9548 3.0119 4.0405 4.0956 4.7336 4.7642 5.3328 5.3401 k = 0.2843-0.8062 0.8114 ( 8619 PWs) bands (ev): -16.1743 -16.1714 -16.1703 -16.1695 -16.1588 -16.1576 -16.1556 -16.1546 -13.6534 -13.6511 -13.6324 -13.6282 -13.6101 -13.6075 -13.6049 -13.6001 -13.5861 -13.5830 -13.5806 -13.5783 -10.4675 -10.4663 -9.8895 -9.8866 -6.0145 -6.0110 -5.4043 -5.4005 -1.9680 -1.9298 -0.9579 -0.9454 -0.7388 -0.6599 -0.0513 0.0160 0.7091 0.7158 0.9615 0.9649 3.0013 3.0571 4.1482 4.2069 4.8191 4.8473 5.3916 5.3974 k = 0.2941-0.8340 0.8394 ( 8615 PWs) bands (ev): -16.1743 -16.1712 -16.1704 -16.1694 -16.1590 -16.1579 -16.1558 -16.1546 -13.6539 -13.6515 -13.6343 -13.6303 -13.6106 -13.6080 -13.6049 -13.6004 -13.5854 -13.5824 -13.5798 -13.5775 -10.4292 -10.4280 -9.8823 -9.8795 -6.0037 -6.0004 -5.4254 -5.4216 -2.0100 -1.9708 -1.0029 -0.9632 -0.7043 -0.6422 -0.2063 -0.1266 0.6747 0.6838 0.8510 0.8521 3.0611 3.1153 4.2540 4.3164 4.8950 4.9194 5.4689 5.4717 k = 0.3039-0.8618 0.8674 ( 8625 PWs) bands (ev): -16.1742 -16.1710 -16.1705 -16.1692 -16.1591 -16.1582 -16.1559 -16.1547 -13.6545 -13.6522 -13.6362 -13.6326 -13.6111 -13.6085 -13.6049 -13.6007 -13.5846 -13.5818 -13.5791 -13.5768 -10.3909 -10.3898 -9.8754 -9.8728 -5.9898 -5.9867 -5.4436 -5.4397 -2.0507 -2.0106 -1.0522 -0.9871 -0.6746 -0.6299 -0.3484 -0.2592 0.6335 0.6489 0.7339 0.7371 3.1309 3.1835 4.3539 4.4198 4.9627 4.9826 5.5624 5.5632 k = 0.3137-0.8896 0.8954 ( 8639 PWs) bands (ev): -16.1742 -16.1709 -16.1705 -16.1691 -16.1593 -16.1586 -16.1560 -16.1548 -13.6553 -13.6531 -13.6381 -13.6349 -13.6116 -13.6090 -13.6048 -13.6009 -13.5838 -13.5811 -13.5783 -13.5761 -10.3530 -10.3519 -9.8690 -9.8665 -5.9730 -5.9700 -5.4589 -5.4550 -2.0900 -2.0490 -1.1057 -1.0142 -0.6611 -0.6569 -0.4463 -0.3702 0.5602 0.5852 0.6402 0.6498 3.2076 3.2590 4.4434 4.5119 5.0274 5.0436 5.6655 5.6697 k = 0.3235-0.9174 0.9234 ( 8639 PWs) bands (ev): -16.1742 -16.1711 -16.1703 -16.1689 -16.1596 -16.1589 -16.1561 -16.1548 -13.6561 -13.6541 -13.6400 -13.6372 -13.6121 -13.6094 -13.6047 -13.6010 -13.5831 -13.5805 -13.5775 -13.5754 -10.3155 -10.3144 -9.8630 -9.8606 -5.9533 -5.9506 -5.4712 -5.4674 -2.1277 -2.0859 -1.1643 -1.0428 -0.7586 -0.6864 -0.4666 -0.4362 0.4446 0.4665 0.6001 0.6042 3.2890 3.3394 4.5183 4.5879 5.0953 5.1100 5.7756 5.7823 k = 0.3333-0.9452 0.9513 ( 8647 PWs) bands (ev): -16.1742 -16.1712 -16.1700 -16.1688 -16.1598 -16.1593 -16.1562 -16.1549 -13.6570 -13.6553 -13.6418 -13.6396 -13.6125 -13.6097 -13.6046 -13.6011 -13.5823 -13.5799 -13.5768 -13.5748 -10.2786 -10.2776 -9.8574 -9.8552 -5.9310 -5.9286 -5.4807 -5.4770 -2.1638 -2.1213 -1.2300 -1.0718 -0.8947 -0.7566 -0.4511 -0.4503 0.3205 0.3415 0.5688 0.5705 3.3734 3.4230 4.5762 4.6449 5.1709 5.1867 5.8870 5.8951 k = 0.3431-0.9730 0.9793 ( 8651 PWs) bands (ev): -16.1743 -16.1714 -16.1698 -16.1687 -16.1601 -16.1596 -16.1563 -16.1549 -13.6580 -13.6566 -13.6437 -13.6419 -13.6127 -13.6100 -13.6044 -13.6012 -13.5816 -13.5793 -13.5761 -13.5741 -10.2426 -10.2416 -9.8522 -9.8502 -5.9064 -5.9043 -5.4874 -5.4837 -2.1982 -2.1550 -1.3046 -1.1007 -1.0372 -0.8421 -0.4424 -0.4308 0.2011 0.2214 0.5396 0.5403 3.4593 3.5084 4.6174 4.6839 5.2548 5.2738 5.9949 6.0028 k = 0.3529-1.0008 1.0073 ( 8639 PWs) bands (ev): -16.1743 -16.1717 -16.1696 -16.1685 -16.1603 -16.1600 -16.1563 -16.1550 -13.6590 -13.6580 -13.6455 -13.6443 -13.6130 -13.6102 -13.6043 -13.6012 -13.5809 -13.5787 -13.5754 -13.5735 -10.2076 -10.2067 -9.8474 -9.8456 -5.8797 -5.8779 -5.4913 -5.4877 -2.2306 -2.1870 -1.3889 -1.1802 -1.1275 -0.9230 -0.4365 -0.4179 0.0949 0.1132 0.5119 0.5121 3.5457 3.5946 4.6447 4.7085 5.3448 5.3678 6.0948 6.1012 k = 0.3627-1.0286 1.0353 ( 8635 PWs) bands (ev): -16.1743 -16.1719 -16.1694 -16.1684 -16.1606 -16.1604 -16.1564 -16.1551 -13.6600 -13.6594 -13.6473 -13.6466 -13.6131 -13.6104 -13.6042 -13.6013 -13.5802 -13.5781 -13.5747 -13.5730 -10.1738 -10.1729 -9.8431 -9.8414 -5.8513 -5.8497 -5.4926 -5.4891 -2.2611 -2.2172 -1.4821 -1.3183 -1.1547 -0.9930 -0.4478 -0.4231 0.0120 0.0268 0.4856 0.4857 3.6317 3.6807 4.6615 4.7230 5.4373 5.4642 6.1828 6.1867 k = 0.3725-1.0564 1.0633 ( 8637 PWs) bands (ev): -16.1744 -16.1721 -16.1692 -16.1683 -16.1609 -16.1607 -16.1564 -16.1551 -13.6610 -13.6607 -13.6491 -13.6488 -13.6131 -13.6105 -13.6040 -13.6013 -13.5795 -13.5776 -13.5741 -13.5724 -10.1414 -10.1406 -9.8392 -9.8376 -5.8214 -5.8202 -5.4914 -5.4881 -2.2895 -2.2455 -1.5814 -1.4519 -1.1802 -1.0518 -0.4874 -0.4572 -0.0379 -0.0272 0.4607 0.4608 3.7165 3.7659 4.6710 4.7307 5.5287 5.5589 6.2555 6.2567 k = 0.3824-1.0842 1.0913 ( 8619 PWs) bands (ev): -16.1744 -16.1723 -16.1691 -16.1682 -16.1611 -16.1611 -16.1564 -16.1552 -13.6621 -13.6620 -13.6510 -13.6508 -13.6131 -13.6106 -13.6039 -13.6013 -13.5789 -13.5771 -13.5735 -13.5720 -10.1105 -10.1098 -9.8356 -9.8342 -5.7907 -5.7897 -5.4880 -5.4849 -2.3157 -2.2718 -1.6836 -1.5799 -1.2042 -1.1012 -0.5551 -0.5214 -0.0550 -0.0474 0.4375 0.4375 3.7997 3.8495 4.6755 4.7341 5.6162 5.6486 6.3097 6.3098 k = 0.3922-1.1120 1.1192 ( 8631 PWs) bands (ev): -16.1744 -16.1726 -16.1689 -16.1681 -16.1614 -16.1614 -16.1564 -16.1552 -13.6634 -13.6630 -13.6531 -13.6526 -13.6131 -13.6107 -13.6037 -13.6014 -13.5783 -13.5766 -13.5729 -13.5715 -10.0814 -10.0807 -9.8325 -9.8312 -5.7594 -5.7588 -5.4826 -5.4797 -2.3397 -2.2963 -1.7854 -1.7013 -1.2266 -1.1430 -0.6404 -0.6051 -0.0500 -0.0439 0.4158 0.4158 3.8805 3.9310 4.6765 4.7347 5.6978 5.7311 6.3437 6.3460 k = 0.4020-1.1398 1.1472 ( 8626 PWs) bands (ev): -16.1745 -16.1728 -16.1687 -16.1680 -16.1617 -16.1617 -16.1564 -16.1553 -13.6646 -13.6638 -13.6552 -13.6542 -13.6130 -13.6107 -13.6036 -13.6014 -13.5777 -13.5762 -13.5724 -13.5711 -10.0542 -10.0535 -9.8297 -9.8286 -5.7281 -5.7277 -5.4755 -5.4728 -2.3613 -2.3188 -1.8844 -1.8156 -1.2472 -1.1788 -0.7323 -0.6970 -0.0331 -0.0278 0.3958 0.3959 3.9583 4.0097 4.6753 4.7335 5.7722 5.8046 6.3587 6.3677 k = 0.4118-1.1676 1.1752 ( 8630 PWs) bands (ev): -16.1745 -16.1730 -16.1686 -16.1679 -16.1620 -16.1619 -16.1563 -16.1554 -13.6656 -13.6646 -13.6571 -13.6559 -13.6129 -13.6108 -13.6034 -13.6014 -13.5772 -13.5758 -13.5719 -13.5707 -10.0291 -10.0285 -9.8272 -9.8262 -5.6974 -5.6972 -5.4671 -5.4647 -2.3805 -2.3394 -1.9787 -1.9221 -1.2659 -1.2098 -0.8241 -0.7895 -0.0110 -0.0061 0.3775 0.3778 4.0327 4.0851 4.6725 4.7309 5.8391 5.8684 6.3589 6.3796 k = 0.4216-1.1954 1.2032 ( 8626 PWs) bands (ev): -16.1746 -16.1732 -16.1685 -16.1678 -16.1623 -16.1622 -16.1563 -16.1554 -13.6666 -13.6653 -13.6589 -13.6574 -13.6127 -13.6108 -13.6032 -13.6015 -13.5767 -13.5755 -13.5714 -13.5704 -10.0061 -10.0056 -9.8251 -9.8242 -5.6678 -5.6678 -5.4578 -5.4556 -2.3972 -2.3581 -2.0666 -2.0200 -1.2827 -1.2367 -0.9116 -0.8786 0.0129 0.0174 0.3610 0.3614 4.1031 4.1563 4.6685 4.7273 5.8985 5.9223 6.3491 6.3868 k = 0.4314-1.2232 1.2312 ( 8626 PWs) bands (ev): -16.1746 -16.1734 -16.1684 -16.1678 -16.1625 -16.1624 -16.1563 -16.1555 -13.6674 -13.6659 -13.6606 -13.6589 -13.6126 -13.6108 -13.6031 -13.6015 -13.5763 -13.5752 -13.5710 -13.5701 -9.9856 -9.9851 -9.8232 -9.8225 -5.6400 -5.6398 -5.4480 -5.4460 -2.4115 -2.3749 -2.1469 -2.1087 -1.2975 -1.2602 -0.9924 -0.9616 0.0366 0.0407 0.3464 0.3469 4.1689 4.2229 4.6636 4.7226 5.9510 5.9668 6.3328 6.3929 k = 0.4412-1.2510 1.2591 ( 8632 PWs) bands (ev): -16.1746 -16.1736 -16.1682 -16.1677 -16.1628 -16.1626 -16.1562 -16.1555 -13.6680 -13.6663 -13.6622 -13.6603 -13.6124 -13.6109 -13.6029 -13.6016 -13.5759 -13.5749 -13.5707 -13.5699 -9.9674 -9.9671 -9.8216 -9.8211 -5.6143 -5.6140 -5.4381 -5.4364 -2.4231 -2.3900 -2.2184 -2.1875 -1.3103 -1.2805 -1.0647 -1.0369 0.0587 0.0624 0.3337 0.3343 4.2298 4.2840 4.6579 4.7168 5.9974 6.0029 6.3123 6.4001 k = 0.4510-1.2788 1.2871 ( 8648 PWs) bands (ev): -16.1746 -16.1738 -16.1681 -16.1677 -16.1629 -16.1628 -16.1562 -16.1556 -13.6685 -13.6667 -13.6636 -13.6616 -13.6122 -13.6109 -13.6028 -13.6016 -13.5755 -13.5747 -13.5703 -13.5697 -9.9519 -9.9516 -9.8203 -9.8199 -5.5914 -5.5911 -5.4286 -5.4272 -2.4323 -2.4033 -2.2803 -2.2558 -1.3210 -1.2979 -1.1271 -1.1030 0.0784 0.0817 0.3229 0.3236 4.2851 4.3386 4.6517 4.7094 6.0321 6.0384 6.2902 6.4090 k = 0.4608-1.3066 1.3151 ( 8648 PWs) bands (ev): -16.1746 -16.1739 -16.1681 -16.1677 -16.1631 -16.1630 -16.1561 -16.1556 -13.6688 -13.6668 -13.6649 -13.6627 -13.6121 -13.6110 -13.6027 -13.6017 -13.5752 -13.5746 -13.5701 -13.5695 -9.9391 -9.9388 -9.8193 -9.8189 -5.5719 -5.5715 -5.4201 -5.4190 -2.4391 -2.4151 -2.3315 -2.3129 -1.3297 -1.3127 -1.1785 -1.1590 0.0953 0.0981 0.3141 0.3148 4.3345 4.3857 4.6456 4.7004 6.0560 6.0743 6.2687 6.3846 k = 0.4706-1.3344 1.3431 ( 8624 PWs) bands (ev): -16.1745 -16.1740 -16.1680 -16.1677 -16.1632 -16.1631 -16.1560 -16.1557 -13.6690 -13.6668 -13.6660 -13.6637 -13.6119 -13.6111 -13.6025 -13.6018 -13.5749 -13.5745 -13.5698 -13.5694 -9.9290 -9.9288 -9.8185 -9.8182 -5.5561 -5.5558 -5.4129 -5.4121 -2.4436 -2.4254 -2.3713 -2.3583 -1.3364 -1.3249 -1.2184 -1.2038 0.1088 0.1110 0.3073 0.3079 4.3773 4.4234 4.6407 4.6896 6.0762 6.1039 6.2513 6.3548 k = 0.4804-1.3622 1.3711 ( 8644 PWs) bands (ev): -16.1745 -16.1742 -16.1679 -16.1677 -16.1633 -16.1632 -16.1560 -16.1558 -13.6689 -13.6670 -13.6667 -13.6646 -13.6117 -13.6112 -13.6024 -13.6019 -13.5747 -13.5744 -13.5697 -13.5694 -9.9218 -9.9217 -9.8179 -9.8177 -5.5444 -5.5442 -5.4074 -5.4069 -2.4460 -2.4344 -2.3989 -2.3913 -1.3411 -1.3343 -1.2461 -1.2368 0.1188 0.1203 0.3025 0.3030 4.4130 4.4492 4.6389 4.6771 6.0939 6.1237 6.2430 6.3247 k = 0.4902-1.3900 1.3990 ( 8650 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1558 -13.6687 -13.6677 -13.6664 -13.6654 -13.6116 -13.6113 -13.6023 -13.6020 -13.5746 -13.5744 -13.5695 -13.5694 -9.9174 -9.9173 -9.8175 -9.8175 -5.5373 -5.5372 -5.4040 -5.4037 -2.4467 -2.4415 -2.4145 -2.4115 -1.3437 -1.3407 -1.2619 -1.2574 0.1250 0.1258 0.2997 0.2999 4.4401 4.4606 4.6423 4.6637 6.1097 6.1294 6.2493 6.2953 k = 0.5000-1.4178 1.4270 ( 8660 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4569 4.4569 4.6512 4.6512 6.1227 6.1227 6.2688 6.2688 k = 0.5000-1.4178 1.4270 ( 8660 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4569 4.4569 4.6512 4.6512 6.1227 6.1227 6.2688 6.2688 k = 0.5000-1.3915 1.4532 ( 8652 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6658 -13.6658 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8186 -9.8186 -5.5361 -5.5361 -5.4054 -5.4054 -2.4406 -2.4406 -2.4169 -2.4169 -1.3385 -1.3385 -1.2642 -1.2642 0.1283 0.1283 0.2970 0.2970 4.4550 4.4550 4.6491 4.6491 6.1217 6.1217 6.2673 6.2673 k = 0.5000-1.3652 1.4793 ( 8652 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6684 -13.6684 -13.6653 -13.6653 -13.6115 -13.6115 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8223 -9.8223 -5.5399 -5.5399 -5.4133 -5.4133 -2.4280 -2.4280 -2.4092 -2.4092 -1.3232 -1.3232 -1.2594 -1.2594 0.1309 0.1309 0.2916 0.2916 4.4489 4.4489 4.6429 4.6429 6.1187 6.1187 6.2629 6.2629 k = 0.5000-1.3389 1.5054 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6645 -13.6645 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8285 -9.8285 -5.5459 -5.5459 -5.4262 -5.4262 -2.4162 -2.4162 -2.3873 -2.3873 -1.2998 -1.2998 -1.2494 -1.2494 0.1351 0.1351 0.2827 0.2827 4.4379 4.4379 4.6338 4.6338 6.1133 6.1133 6.2564 6.2564 k = 0.5000-1.3389 1.5054 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6645 -13.6645 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8285 -9.8285 -5.5459 -5.5459 -5.4262 -5.4262 -2.4162 -2.4162 -2.3873 -2.3873 -1.2998 -1.2998 -1.2494 -1.2494 0.1351 0.1351 0.2827 0.2827 4.4379 4.4379 4.6338 4.6338 6.1133 6.1133 6.2564 6.2564 k = 0.4930-1.2990 1.5054 ( 8646 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1677 -16.1631 -16.1631 -16.1558 -16.1558 -13.6684 -13.6680 -13.6640 -13.6636 -13.6116 -13.6114 -13.6022 -13.6021 -13.5748 -13.5747 -13.5698 -13.5697 -9.9165 -9.9165 -9.8349 -9.8349 -5.5531 -5.5531 -5.4400 -5.4398 -2.4075 -2.4045 -2.3619 -2.3569 -1.2793 -1.2775 -1.2330 -1.2326 0.1381 0.1388 0.2740 0.2744 4.4161 4.4293 4.6194 4.6330 6.1003 6.1108 6.2393 6.2645 k = 0.4860-1.2590 1.5054 ( 8650 PWs) bands (ev): -16.1744 -16.1742 -16.1678 -16.1677 -16.1630 -16.1630 -16.1558 -16.1557 -13.6683 -13.6677 -13.6631 -13.6624 -13.6118 -13.6114 -13.6023 -13.6020 -13.5749 -13.5747 -13.5700 -13.5699 -9.9186 -9.9185 -9.8428 -9.8427 -5.5638 -5.5637 -5.4575 -5.4571 -2.3920 -2.3861 -2.3287 -2.3185 -1.2576 -1.2508 -1.2058 -1.2022 0.1400 0.1415 0.2645 0.2653 4.3870 4.4105 4.6064 4.6303 6.0848 6.1000 6.2281 6.2695 k = 0.4790-1.2191 1.5054 ( 8656 PWs) bands (ev): -16.1745 -16.1741 -16.1678 -16.1677 -16.1629 -16.1629 -16.1558 -16.1556 -13.6681 -13.6672 -13.6620 -13.6611 -13.6119 -13.6114 -13.6024 -13.6019 -13.5752 -13.5749 -13.5703 -13.5700 -9.9221 -9.9220 -9.8521 -9.8520 -5.5777 -5.5775 -5.4784 -5.4778 -2.3694 -2.3606 -2.2885 -2.2730 -1.2323 -1.2194 -1.1685 -1.1606 0.1406 0.1432 0.2543 0.2557 4.3523 4.3828 4.5939 4.6246 6.0666 6.0801 6.2221 6.2704 k = 0.4720-1.1792 1.5054 ( 8648 PWs) bands (ev): -16.1745 -16.1741 -16.1678 -16.1677 -16.1627 -16.1627 -16.1558 -16.1555 -13.6676 -13.6666 -13.6607 -13.6597 -13.6121 -13.6113 -13.6025 -13.6018 -13.5754 -13.5751 -13.5706 -13.5703 -9.9270 -9.9269 -9.8627 -9.8625 -5.5946 -5.5944 -5.5024 -5.5016 -2.3396 -2.3281 -2.2417 -2.2209 -1.2013 -1.1826 -1.1223 -1.1104 0.1400 0.1439 0.2436 0.2458 4.3129 4.3477 4.5809 4.6153 6.0446 6.0524 6.2185 6.2669 k = 0.4650-1.1393 1.5054 ( 8642 PWs) bands (ev): -16.1745 -16.1740 -16.1679 -16.1677 -16.1625 -16.1625 -16.1558 -16.1554 -13.6671 -13.6659 -13.6593 -13.6581 -13.6122 -13.6114 -13.6026 -13.6018 -13.5757 -13.5753 -13.5710 -13.5706 -9.9331 -9.9330 -9.8746 -9.8744 -5.6141 -5.6138 -5.5292 -5.5282 -2.3028 -2.2887 -2.1887 -2.1626 -1.1639 -1.1395 -1.0683 -1.0529 0.1381 0.1436 0.2327 0.2359 4.2698 4.3071 4.5661 4.6021 6.0174 6.0179 6.2139 6.2590 k = 0.4580-1.0993 1.5054 ( 8633 PWs) bands (ev): -16.1744 -16.1739 -16.1679 -16.1677 -16.1623 -16.1623 -16.1557 -16.1553 -13.6663 -13.6651 -13.6576 -13.6564 -13.6124 -13.6114 -13.6026 -13.6017 -13.5761 -13.5756 -13.5714 -13.5709 -9.9405 -9.9404 -9.8876 -9.8874 -5.6359 -5.6357 -5.5584 -5.5572 -2.2592 -2.2428 -2.1298 -2.0986 -1.1198 -1.0900 -1.0076 -0.9889 0.1349 0.1423 0.2219 0.2264 4.2234 4.2620 4.5489 4.5851 5.9769 5.9835 6.2053 6.2464 k = 0.4510-1.0594 1.5054 ( 8625 PWs) bands (ev): -16.1744 -16.1738 -16.1679 -16.1678 -16.1620 -16.1620 -16.1557 -16.1552 -13.6655 -13.6642 -13.6558 -13.6545 -13.6126 -13.6114 -13.6027 -13.6016 -13.5764 -13.5759 -13.5718 -13.5713 -9.9490 -9.9489 -9.9017 -9.9016 -5.6598 -5.6595 -5.5897 -5.5883 -2.2090 -2.1904 -2.0655 -2.0293 -1.0690 -1.0340 -0.9408 -0.9189 0.1301 0.1400 0.2116 0.2179 4.1744 4.2135 4.5290 4.5644 5.9292 5.9417 6.1900 6.2279 k = 0.4440-1.0195 1.5054 ( 8627 PWs) bands (ev): -16.1744 -16.1737 -16.1680 -16.1679 -16.1617 -16.1617 -16.1556 -16.1551 -13.6645 -13.6631 -13.6539 -13.6526 -13.6127 -13.6115 -13.6028 -13.6015 -13.5768 -13.5762 -13.5723 -13.5717 -9.9585 -9.9584 -9.9168 -9.9167 -5.6853 -5.6851 -5.6225 -5.6210 -2.1526 -2.1320 -1.9958 -1.9548 -1.0117 -0.9717 -0.8686 -0.8436 0.1239 0.1366 0.2025 0.2108 4.1229 4.1623 4.5061 4.5403 5.8746 5.8913 6.1653 6.2018 k = 0.4371-0.9796 1.5054 ( 8631 PWs) bands (ev): -16.1743 -16.1736 -16.1681 -16.1680 -16.1614 -16.1613 -16.1555 -16.1550 -13.6633 -13.6619 -13.6519 -13.6506 -13.6129 -13.6115 -13.6028 -13.6014 -13.5772 -13.5766 -13.5728 -13.5721 -9.9690 -9.9690 -9.9327 -9.9326 -5.7122 -5.7120 -5.6567 -5.6549 -2.0902 -2.0677 -1.9213 -1.8758 -0.9483 -0.9035 -0.7918 -0.7636 0.1163 0.1320 0.1953 0.2056 4.0694 4.1087 4.4803 4.5129 5.8126 5.8318 6.1294 6.1661 k = 0.4301-0.9397 1.5054 ( 8623 PWs) bands (ev): -16.1743 -16.1736 -16.1681 -16.1681 -16.1611 -16.1609 -16.1554 -16.1548 -13.6621 -13.6606 -13.6497 -13.6484 -13.6130 -13.6116 -13.6028 -13.6013 -13.5776 -13.5770 -13.5733 -13.5726 -9.9804 -9.9804 -9.9493 -9.9493 -5.7401 -5.7400 -5.6917 -5.6898 -2.0220 -1.9978 -1.8422 -1.7923 -0.8793 -0.8299 -0.7112 -0.6796 0.1077 0.1264 0.1909 0.2029 4.0140 4.0531 4.4517 4.4824 5.7430 5.7634 6.0815 6.1193 k = 0.4231-0.8997 1.5054 ( 8629 PWs) bands (ev): -16.1742 -16.1735 -16.1682 -16.1682 -16.1607 -16.1606 -16.1553 -16.1547 -13.6608 -13.6592 -13.6475 -13.6463 -13.6132 -13.6117 -13.6028 -13.6012 -13.5780 -13.5774 -13.5739 -13.5731 -9.9925 -9.9924 -9.9666 -9.9665 -5.7688 -5.7688 -5.7273 -5.7254 -1.9484 -1.9226 -1.7587 -1.7049 -0.8052 -0.7516 -0.6280 -0.5927 0.0986 0.1202 0.1901 0.2033 3.9568 3.9957 4.4204 4.4492 5.6660 5.6864 6.0214 6.0609 k = 0.4161-0.8598 1.5054 ( 8619 PWs) bands (ev): -16.1741 -16.1734 -16.1683 -16.1683 -16.1603 -16.1601 -16.1552 -16.1546 -13.6594 -13.6577 -13.6452 -13.6441 -13.6133 -13.6119 -13.6027 -13.6010 -13.5785 -13.5779 -13.5744 -13.5736 -10.0053 -10.0052 -9.9844 -9.9842 -5.7980 -5.7980 -5.7633 -5.7612 -1.8697 -1.8423 -1.6712 -1.6137 -0.7270 -0.6694 -0.5434 -0.5040 0.0899 0.1143 0.1937 0.2077 3.8980 3.9367 4.3863 4.4131 5.5820 5.6016 5.9499 5.9912 k = 0.4091-0.8199 1.5054 ( 8609 PWs) bands (ev): -16.1740 -16.1733 -16.1684 -16.1684 -16.1599 -16.1597 -16.1550 -16.1544 -13.6579 -13.6562 -13.6428 -13.6419 -13.6133 -13.6120 -13.6026 -13.6009 -13.5789 -13.5784 -13.5750 -13.5741 -10.0188 -10.0184 -10.0025 -10.0021 -5.8274 -5.8273 -5.7992 -5.7970 -1.7860 -1.7572 -1.5798 -1.5190 -0.6459 -0.5847 -0.4594 -0.4154 0.0826 0.1100 0.2031 0.2174 3.8374 3.8760 4.3493 4.3742 5.4915 5.5101 5.8682 5.9111 k = 0.4021-0.7800 1.5054 ( 8617 PWs) bands (ev): -16.1740 -16.1732 -16.1686 -16.1685 -16.1596 -16.1593 -16.1549 -16.1543 -13.6564 -13.6546 -13.6404 -13.6398 -13.6133 -13.6121 -13.6025 -13.6007 -13.5793 -13.5789 -13.5756 -13.5747 -10.0327 -10.0321 -10.0208 -10.0201 -5.8568 -5.8566 -5.8348 -5.8325 -1.6976 -1.6676 -1.4850 -1.4211 -0.5634 -0.4993 -0.3784 -0.3296 0.0786 0.1092 0.2202 0.2344 3.7751 3.8137 4.3093 4.3322 5.3959 5.4131 5.7778 5.8221 k = 0.3951-0.7400 1.5054 ( 8623 PWs) bands (ev): -16.1739 -16.1731 -16.1687 -16.1687 -16.1591 -16.1589 -16.1547 -16.1541 -13.6548 -13.6530 -13.6381 -13.6377 -13.6131 -13.6122 -13.6023 -13.6005 -13.5798 -13.5794 -13.5762 -13.5753 -10.0473 -10.0463 -10.0390 -10.0379 -5.8859 -5.8857 -5.8699 -5.8676 -1.6049 -1.5737 -1.3869 -1.3204 -0.4818 -0.4161 -0.3036 -0.2506 0.0811 0.1146 0.2478 0.2612 3.7111 3.7498 4.2659 4.2866 5.2963 5.3124 5.6805 5.7257 k = 0.3881-0.7001 1.5054 ( 8620 PWs) bands (ev): -16.1738 -16.1731 -16.1689 -16.1688 -16.1587 -16.1584 -16.1546 -16.1540 -13.6533 -13.6513 -13.6357 -13.6357 -13.6129 -13.6123 -13.6021 -13.6002 -13.5802 -13.5799 -13.5768 -13.5758 -10.0629 -10.0615 -10.0564 -10.0548 -5.9147 -5.9144 -5.9043 -5.9019 -1.5082 -1.4758 -1.2859 -1.2170 -0.4042 -0.3395 -0.2382 -0.1845 0.0955 0.1300 0.2889 0.3010 3.6452 3.6840 4.2185 4.2369 5.1946 5.2098 5.5778 5.6237 k = 0.3811-0.6602 1.5054 ( 8622 PWs) bands (ev): -16.1737 -16.1730 -16.1691 -16.1689 -16.1583 -16.1580 -16.1544 -16.1538 -13.6517 -13.6496 -13.6339 -13.6334 -13.6125 -13.6124 -13.6019 -13.6000 -13.5806 -13.5804 -13.5774 -13.5764 -10.0796 -10.0785 -10.0719 -10.0705 -5.9429 -5.9426 -5.9376 -5.9351 -1.4076 -1.3742 -1.1824 -1.1115 -0.3342 -0.2751 -0.1842 -0.1375 0.1284 0.1605 0.3456 0.3563 3.5774 3.6165 4.1662 4.1821 5.0928 5.1075 5.4716 5.5178 k = 0.3741-0.6203 1.5054 ( 8621 PWs) bands (ev): -16.1736 -16.1729 -16.1692 -16.1691 -16.1579 -16.1576 -16.1542 -16.1537 -13.6501 -13.6480 -13.6323 -13.6312 -13.6124 -13.6120 -13.6015 -13.5996 -13.5810 -13.5809 -13.5780 -13.5770 -10.0970 -10.0962 -10.0863 -10.0853 -5.9716 -5.9711 -5.9682 -5.9665 -1.3036 -1.2693 -1.0769 -1.0043 -0.2753 -0.2273 -0.1422 -0.1105 0.1835 0.2107 0.4175 0.4273 3.5075 3.5471 4.1082 4.1212 4.9931 5.0080 5.3634 5.4095 k = 0.3671-0.5803 1.5054 ( 8625 PWs) bands (ev): -16.1735 -16.1729 -16.1694 -16.1692 -16.1575 -16.1571 -16.1540 -16.1535 -13.6486 -13.6463 -13.6309 -13.6292 -13.6122 -13.6112 -13.6012 -13.5993 -13.5814 -13.5814 -13.5786 -13.5775 -10.1144 -10.1140 -10.1001 -10.0993 -6.0022 -6.0006 -5.9950 -5.9944 -1.1966 -1.1613 -0.9700 -0.8960 -0.2289 -0.1962 -0.1110 -0.0977 0.2579 0.2810 0.5022 0.5117 3.4355 3.4759 4.0434 4.0531 4.8976 4.9135 5.2549 5.3005 k = 0.3601-0.5404 1.5054 ( 8621 PWs) bands (ev): -16.1734 -16.1728 -16.1696 -16.1694 -16.1571 -16.1567 -16.1539 -16.1534 -13.6470 -13.6447 -13.6298 -13.6274 -13.6120 -13.6102 -13.6008 -13.5989 -13.5819 -13.5817 -13.5792 -13.5781 -10.1316 -10.1313 -10.1135 -10.1129 -6.0321 -6.0302 -6.0201 -6.0199 -1.0870 -1.0509 -0.8626 -0.7877 -0.1938 -0.1774 -0.0921 -0.0878 0.3467 0.3674 0.5961 0.6058 3.3615 3.4029 3.9710 3.9770 4.8085 4.8263 5.1476 5.1921 k = 0.3531-0.5005 1.5054 ( 8619 PWs) bands (ev): -16.1733 -16.1727 -16.1698 -16.1695 -16.1567 -16.1563 -16.1537 -16.1532 -13.6456 -13.6431 -13.6290 -13.6259 -13.6115 -13.6091 -13.6003 -13.5985 -13.5823 -13.5821 -13.5798 -13.5786 -10.1483 -10.1481 -10.1265 -10.1260 -6.0605 -6.0585 -6.0439 -6.0438 -0.9754 -0.9385 -0.7562 -0.6809 -0.1669 -0.1658 -0.0887 -0.0690 0.4456 0.4645 0.6956 0.7058 3.2857 3.3284 3.8907 3.8927 4.7271 4.7480 5.0429 5.0857 k = 0.3461-0.4606 1.5054 ( 8605 PWs) bands (ev): -16.1732 -16.1727 -16.1699 -16.1697 -16.1563 -16.1559 -16.1535 -16.1531 -13.6442 -13.6416 -13.6284 -13.6247 -13.6108 -13.6078 -13.5999 -13.5981 -13.5828 -13.5824 -13.5803 -13.5791 -10.1643 -10.1643 -10.1388 -10.1385 -6.0874 -6.0854 -6.0663 -6.0662 -0.8626 -0.8250 -0.6530 -0.5783 -0.1570 -0.1434 -0.0844 -0.0509 0.5510 0.5674 0.7974 0.8081 3.2084 3.2531 3.8009 3.8032 4.6542 4.6793 4.9423 4.9823 k = 0.3391-0.4206 1.5054 ( 8599 PWs) bands (ev): -16.1731 -16.1726 -16.1701 -16.1698 -16.1560 -16.1556 -16.1534 -16.1530 -13.6429 -13.6401 -13.6280 -13.6239 -13.6098 -13.6063 -13.5994 -13.5977 -13.5832 -13.5827 -13.5809 -13.5796 -10.1798 -10.1797 -10.1506 -10.1503 -6.1126 -6.1107 -6.0872 -6.0871 -0.7499 -0.7117 -0.5563 -0.4845 -0.1470 -0.1184 -0.0756 -0.0295 0.6599 0.6725 0.8985 0.9098 3.1304 3.1778 3.7031 3.7097 4.5893 4.6201 4.8470 4.8830 k = 0.3321-0.3807 1.5054 ( 8607 PWs) bands (ev): -16.1730 -16.1726 -16.1703 -16.1700 -16.1556 -16.1552 -16.1532 -16.1528 -13.6416 -13.6387 -13.6278 -13.6234 -13.6086 -13.6048 -13.5988 -13.5972 -13.5836 -13.5830 -13.5814 -13.5800 -10.1944 -10.1942 -10.1616 -10.1614 -6.1361 -6.1342 -6.1066 -6.1065 -0.6392 -0.6008 -0.4716 -0.4065 -0.1320 -0.0923 -0.0517 0.0004 0.7696 0.7768 0.9958 1.0079 3.0527 3.1040 3.6018 3.6125 4.5310 4.5693 4.7585 4.7885 k = 0.3251-0.3408 1.5054 ( 8607 PWs) bands (ev): -16.1729 -16.1725 -16.1704 -16.1701 -16.1553 -16.1548 -16.1531 -16.1527 -13.6404 -13.6374 -13.6278 -13.6232 -13.6072 -13.6034 -13.5983 -13.5968 -13.5840 -13.5832 -13.5819 -13.5804 -10.2081 -10.2078 -10.1718 -10.1716 -6.1578 -6.1560 -6.1244 -6.1242 -0.5339 -0.4959 -0.4046 -0.3498 -0.1075 -0.0707 0.0026 0.0448 0.8775 0.8775 1.0862 1.0994 2.9769 3.0337 3.4999 3.5145 4.4771 4.5256 4.6781 4.6996 k = 0.3182-0.3009 1.5054 ( 8597 PWs) bands (ev): -16.1728 -16.1725 -16.1706 -16.1703 -16.1549 -16.1545 -16.1530 -16.1527 -13.6393 -13.6361 -13.6279 -13.6233 -13.6058 -13.6019 -13.5978 -13.5963 -13.5844 -13.5835 -13.5824 -13.5808 -10.2207 -10.2204 -10.1811 -10.1810 -6.1776 -6.1759 -6.1404 -6.1402 -0.4404 -0.4049 -0.3569 -0.3124 -0.0689 -0.0443 0.0821 0.1081 0.9717 0.9811 1.1660 1.1810 2.9050 2.9695 3.4007 3.4190 4.4246 4.4868 4.6073 4.6171 k = 0.3112-0.2609 1.5054 ( 8595 PWs) bands (ev): -16.1727 -16.1724 -16.1707 -16.1704 -16.1546 -16.1542 -16.1529 -16.1526 -13.6383 -13.6349 -13.6280 -13.6235 -13.6044 -13.6005 -13.5973 -13.5959 -13.5847 -13.5836 -13.5829 -13.5812 -10.2323 -10.2320 -10.1895 -10.1894 -6.1954 -6.1939 -6.1547 -6.1544 -0.3700 -0.3476 -0.3136 -0.2838 -0.0111 -0.0026 0.1761 0.1895 1.0564 1.0773 1.2313 1.2491 2.8397 2.9144 3.3077 3.3292 4.3715 4.4498 4.5423 4.5464 k = 0.3042-0.2210 1.5054 ( 8594 PWs) bands (ev): -16.1726 -16.1723 -16.1709 -16.1706 -16.1543 -16.1539 -16.1528 -16.1525 -13.6373 -13.6338 -13.6283 -13.6238 -13.6030 -13.5992 -13.5969 -13.5955 -13.5850 -13.5838 -13.5834 -13.5815 -10.2428 -10.2424 -10.1968 -10.1967 -6.2114 -6.2099 -6.1672 -6.1667 -0.3324 -0.3279 -0.2688 -0.2543 0.0609 0.0683 0.2764 0.2831 1.1284 1.1626 1.2781 1.3004 2.7838 2.8715 3.2241 3.2486 4.3170 4.4099 4.4776 4.4933 k = 0.2972-0.1811 1.5054 ( 8600 PWs) bands (ev): -16.1725 -16.1723 -16.1710 -16.1707 -16.1541 -16.1537 -16.1527 -16.1525 -13.6364 -13.6327 -13.6286 -13.6242 -13.6016 -13.5981 -13.5965 -13.5952 -13.5852 -13.5839 -13.5838 -13.5818 -10.2521 -10.2516 -10.2031 -10.2030 -6.2253 -6.2240 -6.1778 -6.1772 -0.3203 -0.3178 -0.2386 -0.2286 0.1443 0.1641 0.3771 0.3827 1.1845 1.2336 1.3034 1.3322 2.7406 2.8431 3.1527 3.1801 4.2625 4.3634 4.4245 4.4440 k = 0.2902-0.1412 1.5054 ( 8599 PWs) bands (ev): -16.1724 -16.1722 -16.1712 -16.1709 -16.1538 -16.1534 -16.1527 -16.1525 -13.6356 -13.6318 -13.6289 -13.6247 -13.6004 -13.5971 -13.5963 -13.5948 -13.5854 -13.5842 -13.5839 -13.5821 -10.2601 -10.2596 -10.2082 -10.2081 -6.2372 -6.2360 -6.1865 -6.1858 -0.3176 -0.3128 -0.2200 -0.2111 0.2393 0.2682 0.4734 0.4824 1.2221 1.2865 1.3065 1.3442 2.7123 2.8299 3.0945 3.1257 4.2107 4.3132 4.3779 4.3939 k = 0.2832-0.1013 1.5054 ( 8611 PWs) bands (ev): -16.1723 -16.1721 -16.1713 -16.1710 -16.1536 -16.1532 -16.1527 -16.1525 -13.6349 -13.6308 -13.6293 -13.6252 -13.5994 -13.5963 -13.5961 -13.5946 -13.5856 -13.5845 -13.5839 -13.5824 -10.2668 -10.2664 -10.2121 -10.2121 -6.2470 -6.2459 -6.1932 -6.1925 -0.3175 -0.3117 -0.2081 -0.1999 0.3372 0.3736 0.5602 0.5766 1.2387 1.2911 1.3136 1.3444 2.7004 2.8299 3.0485 3.0857 4.1646 4.2657 4.3330 4.3416 k = 0.2762-0.0613 1.5054 ( 8606 PWs) bands (ev): -16.1722 -16.1720 -16.1715 -16.1711 -16.1534 -16.1530 -16.1528 -16.1525 -13.6342 -13.6300 -13.6297 -13.6258 -13.5984 -13.5960 -13.5957 -13.5944 -13.5857 -13.5848 -13.5838 -13.5827 -10.2723 -10.2718 -10.2148 -10.2148 -6.2547 -6.2538 -6.1980 -6.1971 -0.3187 -0.3124 -0.2002 -0.1926 0.4305 0.4743 0.6316 0.6587 1.2263 1.2731 1.3001 1.3539 2.7040 2.8387 3.0114 3.0582 4.1276 4.2238 4.2907 4.2930 k = 0.2692-0.0214 1.5054 ( 8600 PWs) bands (ev): -16.1721 -16.1719 -16.1716 -16.1712 -16.1533 -16.1529 -16.1528 -16.1526 -13.6336 -13.6301 -13.6293 -13.6264 -13.5977 -13.5961 -13.5952 -13.5943 -13.5857 -13.5850 -13.5837 -13.5830 -10.2764 -10.2759 -10.2163 -10.2163 -6.2603 -6.2595 -6.2008 -6.1998 -0.3205 -0.3138 -0.1947 -0.1875 0.5115 0.5631 0.6802 0.7194 1.1862 1.2664 1.2694 1.3624 2.7202 2.8504 2.9790 3.0401 4.1028 4.1880 4.2482 4.2665 k = 0.2622 0.0185 1.5054 ( 8591 PWs) bands (ev): -16.1720 -16.1718 -16.1717 -16.1713 -16.1531 -16.1529 -16.1527 -16.1527 -13.6332 -13.6305 -13.6288 -13.6267 -13.5972 -13.5962 -13.5949 -13.5943 -13.5856 -13.5852 -13.5835 -13.5832 -10.2791 -10.2786 -10.2165 -10.2165 -6.2639 -6.2632 -6.2016 -6.2004 -0.3228 -0.3157 -0.1909 -0.1840 0.5705 0.6289 0.6991 0.7483 1.1429 1.2395 1.2695 1.3696 2.7436 2.8586 2.9488 3.0287 4.0926 4.1600 4.2212 4.2596 k = 0.2552 0.0584 1.5054 ( 8593 PWs) bands (ev): -16.1720 -16.1717 -16.1717 -16.1714 -16.1531 -16.1529 -16.1528 -16.1526 -13.6329 -13.6308 -13.6288 -13.6267 -13.5971 -13.5963 -13.5948 -13.5944 -13.5855 -13.5853 -13.5834 -13.5832 -10.2805 -10.2800 -10.2155 -10.2155 -6.2653 -6.2648 -6.2003 -6.1991 -0.3252 -0.3177 -0.1884 -0.1815 0.5965 0.6557 0.6852 0.7387 1.1174 1.2221 1.2849 1.3794 2.7659 2.8583 2.9240 3.0232 4.0971 4.1439 4.2147 4.2726 k = 0.2482 0.0984 1.5054 ( 8592 PWs) bands (ev): -16.1720 -16.1716 -16.1716 -16.1715 -16.1532 -16.1529 -16.1529 -16.1525 -13.6330 -13.6308 -13.6294 -13.6263 -13.5975 -13.5962 -13.5950 -13.5945 -13.5855 -13.5853 -13.5836 -13.5830 -10.2806 -10.2801 -10.2132 -10.2131 -6.2647 -6.2642 -6.1971 -6.1957 -0.3279 -0.3199 -0.1870 -0.1801 0.5819 0.6328 0.6421 0.6934 1.1214 1.2229 1.3087 1.3906 2.7737 2.8482 2.9175 3.0250 4.1151 4.1429 4.2295 4.3016 k = 0.2412 0.1383 1.5054 ( 8598 PWs) bands (ev): -16.1721 -16.1716 -16.1715 -16.1715 -16.1534 -16.1531 -16.1528 -16.1525 -13.6334 -13.6306 -13.6301 -13.6257 -13.5982 -13.5961 -13.5954 -13.5946 -13.5854 -13.5851 -13.5838 -13.5827 -10.2792 -10.2788 -10.2096 -10.2096 -6.2619 -6.2616 -6.1918 -6.1903 -0.3310 -0.3223 -0.1872 -0.1799 0.5288 0.5694 0.5776 0.6212 1.1458 1.2369 1.3307 1.3975 2.7610 2.8326 2.9398 3.0359 4.1449 4.1579 4.2610 4.3404 k = 0.2342 0.1782 1.5054 ( 8598 PWs) bands (ev): -16.1722 -16.1717 -16.1714 -16.1714 -16.1535 -16.1532 -16.1528 -16.1525 -13.6340 -13.6310 -13.6302 -13.6251 -13.5991 -13.5962 -13.5959 -13.5948 -13.5854 -13.5848 -13.5839 -13.5824 -10.2766 -10.2762 -10.2048 -10.2047 -6.2571 -6.2569 -6.1845 -6.1828 -0.3347 -0.3252 -0.1894 -0.1814 0.4489 0.4828 0.4976 0.5313 1.1723 1.2520 1.3414 1.3932 2.7420 2.8186 2.9839 3.0579 4.1853 4.1875 4.3007 4.3817 k = 0.2272 0.2181 1.5054 ( 8594 PWs) bands (ev): -16.1723 -16.1718 -16.1713 -16.1712 -16.1538 -16.1534 -16.1528 -16.1525 -13.6347 -13.6319 -13.6299 -13.6246 -13.6002 -13.5967 -13.5963 -13.5950 -13.5853 -13.5844 -13.5840 -13.5821 -10.2726 -10.2722 -10.1987 -10.1987 -6.2502 -6.2501 -6.1751 -6.1734 -0.3398 -0.3291 -0.1950 -0.1859 0.3540 0.3858 0.4070 0.4304 1.1875 1.2568 1.3342 1.3730 2.7314 2.8134 3.0429 3.0934 4.2290 4.2343 4.3410 4.4203 k = 0.2202 0.2581 1.5054 ( 8596 PWs) bands (ev): -16.1724 -16.1719 -16.1711 -16.1711 -16.1540 -16.1537 -16.1529 -16.1525 -13.6355 -13.6329 -13.6296 -13.6241 -13.6014 -13.5976 -13.5966 -13.5953 -13.5851 -13.5840 -13.5840 -13.5818 -10.2674 -10.2670 -10.1915 -10.1914 -6.2413 -6.2412 -6.1638 -6.1620 -0.3473 -0.3352 -0.2060 -0.1952 0.2520 0.2871 0.3115 0.3239 1.1840 1.2436 1.3066 1.3344 2.7372 2.8221 3.1142 3.1438 4.2785 4.2893 4.3790 4.4561 k = 0.2132 0.2980 1.5054 ( 8602 PWs) bands (ev): -16.1725 -16.1719 -16.1710 -16.1709 -16.1543 -16.1539 -16.1529 -16.1525 -13.6364 -13.6339 -13.6293 -13.6237 -13.6027 -13.5987 -13.5970 -13.5957 -13.5849 -13.5839 -13.5836 -13.5815 -10.2609 -10.2606 -10.1830 -10.1830 -6.2305 -6.2303 -6.1506 -6.1486 -0.3592 -0.3450 -0.2262 -0.2131 0.1485 0.1941 0.2161 0.2181 1.1590 1.2098 1.2590 1.2774 2.7620 2.8470 3.1963 3.2090 4.3320 4.3456 4.4188 4.4937 k = 0.2062 0.3379 1.5054 ( 8605 PWs) bands (ev): -16.1726 -16.1720 -16.1708 -16.1708 -16.1546 -16.1542 -16.1530 -16.1526 -13.6374 -13.6351 -13.6291 -13.6233 -13.6040 -13.5999 -13.5974 -13.5961 -13.5846 -13.5838 -13.5831 -13.5811 -10.2533 -10.2529 -10.1735 -10.1735 -6.2177 -6.2174 -6.1354 -6.1333 -0.3792 -0.3621 -0.2605 -0.2452 0.0485 0.1075 0.1187 0.1355 1.1128 1.1562 1.1939 1.2039 2.8047 2.8876 3.2871 3.2873 4.3850 4.3955 4.4701 4.5392 k = 0.1993 0.3778 1.5054 ( 8607 PWs) bands (ev): -16.1727 -16.1720 -16.1707 -16.1706 -16.1549 -16.1545 -16.1531 -16.1527 -13.6384 -13.6362 -13.6289 -13.6231 -13.6055 -13.6013 -13.5979 -13.5965 -13.5843 -13.5837 -13.5826 -13.5808 -10.2445 -10.2441 -10.1629 -10.1629 -6.2029 -6.2026 -6.1182 -6.1161 -0.4139 -0.3925 -0.3121 -0.2975 -0.0414 0.0128 0.0586 0.0721 1.0480 1.0858 1.1148 1.1169 2.8619 2.9413 3.3754 3.3850 4.4346 4.4369 4.5375 4.5974 k = 0.1923 0.4178 1.5054 ( 8611 PWs) bands (ev): -16.1728 -16.1721 -16.1705 -16.1705 -16.1552 -16.1548 -16.1532 -16.1528 -13.6395 -13.6375 -13.6288 -13.6230 -13.6069 -13.6027 -13.5984 -13.5969 -13.5840 -13.5835 -13.5821 -13.5804 -10.2346 -10.2343 -10.1513 -10.1513 -6.1863 -6.1858 -6.0993 -6.0970 -0.4718 -0.4443 -0.3788 -0.3711 -0.1130 -0.0673 0.0208 0.0309 0.9681 1.0009 1.0210 1.0253 2.9297 3.0051 3.4705 3.4867 4.4764 4.4819 4.6164 4.6689 k = 0.1853 0.4577 1.5054 ( 8613 PWs) bands (ev): -16.1729 -16.1722 -16.1704 -16.1703 -16.1555 -16.1552 -16.1534 -16.1529 -13.6407 -13.6388 -13.6289 -13.6232 -13.6082 -13.6042 -13.5989 -13.5974 -13.5836 -13.5833 -13.5816 -13.5799 -10.2237 -10.2234 -10.1388 -10.1387 -6.1678 -6.1673 -6.0785 -6.0761 -0.5539 -0.5208 -0.4615 -0.4588 -0.1615 -0.1256 -0.0018 0.0070 0.8772 0.9011 0.9235 0.9286 3.0043 3.0756 3.5690 3.5899 4.5194 4.5301 4.7030 4.7512 k = 0.1783 0.4976 1.5054 ( 8613 PWs) bands (ev): -16.1730 -16.1722 -16.1702 -16.1702 -16.1559 -16.1555 -16.1535 -16.1530 -13.6420 -13.6402 -13.6290 -13.6236 -13.6095 -13.6056 -13.5995 -13.5978 -13.5832 -13.5830 -13.5811 -13.5795 -10.2119 -10.2116 -10.1254 -10.1253 -6.1476 -6.1470 -6.0560 -6.0535 -0.6523 -0.6156 -0.5632 -0.5518 -0.1913 -0.1636 -0.0156 -0.0063 0.7792 0.7909 0.8262 0.8273 3.0825 3.1501 3.6676 3.6918 4.5688 4.5829 4.7959 4.8420 k = 0.1713 0.5375 1.5054 ( 8616 PWs) bands (ev): -16.1731 -16.1723 -16.1700 -16.1700 -16.1563 -16.1559 -16.1537 -16.1531 -13.6434 -13.6417 -13.6294 -13.6244 -13.6105 -13.6071 -13.6000 -13.5982 -13.5828 -13.5828 -13.5805 -13.5790 -10.1992 -10.1989 -10.1113 -10.1112 -6.1256 -6.1250 -6.0318 -6.0293 -0.7588 -0.7202 -0.6717 -0.6547 -0.2107 -0.1884 -0.0257 -0.0143 0.6761 0.6781 0.7238 0.7288 3.1620 3.2263 3.7635 3.7900 4.6263 4.6425 4.8941 4.9394 k = 0.1643 0.5775 1.5054 ( 8613 PWs) bands (ev): -16.1732 -16.1723 -16.1699 -16.1699 -16.1566 -16.1563 -16.1539 -16.1533 -13.6448 -13.6432 -13.6299 -13.6255 -13.6112 -13.6084 -13.6005 -13.5986 -13.5824 -13.5823 -13.5800 -13.5785 -10.1858 -10.1855 -10.0964 -10.0963 -6.1021 -6.1014 -6.0061 -6.0034 -0.8689 -0.8290 -0.7832 -0.7628 -0.2260 -0.2068 -0.0355 -0.0206 0.5603 0.5772 0.6206 0.6332 3.2413 3.3027 3.8543 3.8825 4.6929 4.7106 4.9969 5.0420 k = 0.1573 0.6174 1.5054 ( 8613 PWs) bands (ev): -16.1733 -16.1724 -16.1697 -16.1697 -16.1570 -16.1567 -16.1541 -16.1534 -13.6463 -13.6448 -13.6307 -13.6270 -13.6117 -13.6096 -13.6009 -13.5990 -13.5821 -13.5819 -13.5794 -13.5779 -10.1717 -10.1714 -10.0810 -10.0808 -6.0770 -6.0764 -5.9788 -5.9761 -0.9799 -0.9393 -0.8957 -0.8730 -0.2419 -0.2243 -0.0486 -0.0282 0.4462 0.4797 0.5211 0.5424 3.3192 3.3782 3.9383 3.9680 4.7688 4.7876 5.1033 5.1484 k = 0.1503 0.6573 1.5054 ( 8621 PWs) bands (ev): -16.1734 -16.1724 -16.1695 -16.1695 -16.1574 -16.1571 -16.1542 -16.1536 -13.6479 -13.6464 -13.6317 -13.6288 -13.6120 -13.6107 -13.6014 -13.5994 -13.5818 -13.5814 -13.5788 -13.5774 -10.1571 -10.1568 -10.0651 -10.0649 -6.0505 -6.0499 -5.9501 -5.9474 -1.0903 -1.0492 -1.0075 -0.9835 -0.2618 -0.2449 -0.0686 -0.0406 0.3375 0.3883 0.4302 0.4597 3.3950 3.4521 4.0147 4.0457 4.8535 4.8733 5.2122 5.2574 k = 0.1433 0.6972 1.5054 ( 8625 PWs) bands (ev): -16.1735 -16.1725 -16.1694 -16.1693 -16.1578 -16.1575 -16.1544 -16.1537 -13.6494 -13.6480 -13.6329 -13.6308 -13.6122 -13.6115 -13.6017 -13.5997 -13.5814 -13.5809 -13.5782 -13.5768 -10.1420 -10.1416 -10.0488 -10.0485 -6.0228 -6.0221 -5.9202 -5.9174 -1.1992 -1.1577 -1.1179 -1.0929 -0.2891 -0.2727 -0.0994 -0.0633 0.2397 0.3045 0.3546 0.3886 3.4686 3.5240 4.0835 4.1158 4.9456 4.9664 5.3225 5.3675 k = 0.1363 0.7372 1.5054 ( 8625 PWs) bands (ev): -16.1736 -16.1726 -16.1692 -16.1692 -16.1582 -16.1579 -16.1546 -16.1539 -13.6511 -13.6497 -13.6344 -13.6330 -13.6122 -13.6122 -13.6021 -13.6000 -13.5810 -13.5804 -13.5776 -13.5763 -10.1265 -10.1262 -10.0322 -10.0319 -5.9938 -5.9932 -5.8891 -5.8864 -1.3059 -1.2642 -1.2260 -1.2004 -0.3266 -0.3116 -0.1444 -0.1043 0.1614 0.2312 0.2990 0.3320 3.5397 3.5937 4.1455 4.1791 5.0431 5.0650 5.4328 5.4774 k = 0.1293 0.7771 1.5054 ( 8627 PWs) bands (ev): -16.1737 -16.1727 -16.1691 -16.1690 -16.1586 -16.1583 -16.1548 -16.1540 -13.6527 -13.6513 -13.6361 -13.6353 -13.6127 -13.6121 -13.6023 -13.6003 -13.5806 -13.5799 -13.5769 -13.5757 -10.1108 -10.1104 -10.0154 -10.0151 -5.9639 -5.9633 -5.8570 -5.8543 -1.4099 -1.3681 -1.3315 -1.3056 -0.3758 -0.3639 -0.2040 -0.1692 0.1095 0.1725 0.2629 0.2909 3.6083 3.6614 4.2016 4.2365 5.1437 5.1668 5.5415 5.5854 k = 0.1223 0.8170 1.5054 ( 8621 PWs) bands (ev): -16.1738 -16.1727 -16.1690 -16.1688 -16.1590 -16.1588 -16.1550 -16.1542 -13.6543 -13.6530 -13.6380 -13.6377 -13.6130 -13.6120 -13.6026 -13.6005 -13.5801 -13.5794 -13.5763 -13.5751 -10.0949 -10.0946 -9.9986 -9.9983 -5.9332 -5.9326 -5.8241 -5.8214 -1.5106 -1.4690 -1.4339 -1.4079 -0.4363 -0.4288 -0.2760 -0.2531 0.0804 0.1303 0.2421 0.2641 3.6746 3.7269 4.2528 4.2891 5.2451 5.2697 5.6472 5.6900 k = 0.1153 0.8569 1.5054 ( 8625 PWs) bands (ev): -16.1739 -16.1728 -16.1688 -16.1687 -16.1595 -16.1592 -16.1551 -16.1543 -13.6559 -13.6546 -13.6401 -13.6400 -13.6132 -13.6119 -13.6027 -13.6007 -13.5797 -13.5789 -13.5757 -13.5746 -10.0791 -10.0787 -9.9819 -9.9815 -5.9017 -5.9013 -5.7906 -5.7879 -1.6078 -1.5666 -1.5329 -1.5070 -0.5056 -0.5033 -0.3566 -0.3462 0.0656 0.1030 0.2321 0.2487 3.7387 3.7905 4.2998 4.3376 5.3452 5.3713 5.7481 5.7897 k = 0.1083 0.8968 1.5054 ( 8623 PWs) bands (ev): -16.1740 -16.1729 -16.1687 -16.1685 -16.1598 -16.1596 -16.1553 -16.1545 -13.6575 -13.6562 -13.6425 -13.6421 -13.6133 -13.6118 -13.6029 -13.6009 -13.5793 -13.5784 -13.5751 -13.5740 -10.0633 -10.0630 -9.9654 -9.9650 -5.8699 -5.8695 -5.7566 -5.7540 -1.7012 -1.6606 -1.6282 -1.6025 -0.5835 -0.5808 -0.4418 -0.4418 0.0591 0.0871 0.2290 0.2414 3.8008 3.8523 4.3434 4.3828 5.4422 5.4698 5.8428 5.8828 k = 0.1013 0.9368 1.5054 ( 8629 PWs) bands (ev): -16.1741 -16.1730 -16.1686 -16.1684 -16.1602 -16.1601 -16.1554 -16.1546 -13.6590 -13.6577 -13.6449 -13.6442 -13.6133 -13.6117 -13.6030 -13.6010 -13.5788 -13.5780 -13.5745 -13.5735 -10.0478 -10.0474 -9.9492 -9.9487 -5.8378 -5.8375 -5.7225 -5.7200 -1.7904 -1.7506 -1.7195 -1.6942 -0.6660 -0.6590 -0.5363 -0.5285 0.0579 0.0791 0.2303 0.2397 3.8609 3.9122 4.3839 4.4250 5.5345 5.5635 5.9297 5.9680 k = 0.0943 0.9767 1.5054 ( 8632 PWs) bands (ev): -16.1742 -16.1731 -16.1685 -16.1683 -16.1606 -16.1605 -16.1555 -16.1548 -13.6605 -13.6592 -13.6473 -13.6464 -13.6132 -13.6116 -13.6030 -13.6011 -13.5784 -13.5775 -13.5740 -13.5729 -10.0326 -10.0323 -9.9334 -9.9329 -5.8058 -5.8056 -5.6884 -5.6860 -1.8752 -1.8364 -1.8065 -1.7819 -0.7481 -0.7379 -0.6278 -0.6143 0.0600 0.0765 0.2344 0.2415 3.9192 3.9704 4.4217 4.4646 5.6210 5.6510 6.0074 6.0440 k = 0.0873 1.0166 1.5054 ( 8646 PWs) bands (ev): -16.1743 -16.1732 -16.1684 -16.1682 -16.1610 -16.1609 -16.1557 -16.1549 -13.6619 -13.6606 -13.6496 -13.6485 -13.6132 -13.6114 -13.6031 -13.6012 -13.5780 -13.5770 -13.5734 -13.5724 -10.0179 -10.0176 -9.9182 -9.9177 -5.7741 -5.7739 -5.6547 -5.6524 -1.9552 -1.9178 -1.8889 -1.8651 -0.8282 -0.8155 -0.7151 -0.6978 0.0642 0.0773 0.2402 0.2457 3.9756 4.0269 4.4568 4.5014 5.7006 5.7311 6.0747 6.1101 k = 0.0804 1.0565 1.5054 ( 8646 PWs) bands (ev): -16.1743 -16.1733 -16.1683 -16.1680 -16.1613 -16.1612 -16.1557 -16.1550 -13.6632 -13.6618 -13.6518 -13.6506 -13.6130 -13.6113 -13.6031 -13.6013 -13.5775 -13.5766 -13.5729 -13.5720 -10.0038 -10.0035 -9.9036 -9.9032 -5.7429 -5.7429 -5.6217 -5.6195 -2.0303 -1.9945 -1.9665 -1.9438 -0.9048 -0.8905 -0.7975 -0.7777 0.0699 0.0805 0.2470 0.2513 4.0302 4.0817 4.4891 4.5355 5.7730 5.8031 6.1310 6.1657 k = 0.0734 1.0965 1.5054 ( 8640 PWs) bands (ev): -16.1744 -16.1734 -16.1682 -16.1680 -16.1616 -16.1616 -16.1558 -16.1551 -13.6644 -13.6630 -13.6539 -13.6526 -13.6129 -13.6113 -13.6030 -13.6014 -13.5771 -13.5762 -13.5724 -13.5715 -9.9904 -9.9901 -9.8899 -9.8894 -5.7128 -5.7127 -5.5896 -5.5875 -2.1000 -2.0661 -2.0390 -2.0176 -0.9769 -0.9618 -0.8743 -0.8532 0.0764 0.0851 0.2542 0.2577 4.0829 4.1345 4.5186 4.5667 5.8379 5.8663 6.1758 6.2111 k = 0.0664 1.1364 1.5054 ( 8642 PWs) bands (ev): -16.1744 -16.1735 -16.1682 -16.1679 -16.1619 -16.1619 -16.1559 -16.1552 -13.6654 -13.6641 -13.6560 -13.6545 -13.6128 -13.6112 -13.6030 -13.6015 -13.5767 -13.5759 -13.5719 -13.5711 -9.9778 -9.9775 -9.8770 -9.8766 -5.6839 -5.6838 -5.5589 -5.5570 -2.1642 -2.1325 -2.1060 -2.0861 -1.0439 -1.0286 -0.9452 -0.9237 0.0833 0.0905 0.2616 0.2644 4.1336 4.1852 4.5450 4.5947 5.8955 5.9206 6.2091 6.2470 k = 0.0594 1.1763 1.5054 ( 8650 PWs) bands (ev): -16.1745 -16.1736 -16.1681 -16.1678 -16.1622 -16.1622 -16.1559 -16.1553 -13.6664 -13.6650 -13.6579 -13.6564 -13.6126 -13.6112 -13.6029 -13.6015 -13.5763 -13.5755 -13.5715 -13.5707 -9.9662 -9.9658 -9.8652 -9.8648 -5.6566 -5.6564 -5.5298 -5.5281 -2.2225 -2.1933 -2.1674 -2.1492 -1.1051 -1.0902 -1.0096 -0.9886 0.0903 0.0963 0.2687 0.2710 4.1821 4.2335 4.5683 4.6191 5.9462 5.9661 6.2317 6.2747 k = 0.0524 1.2162 1.5054 ( 8648 PWs) bands (ev): -16.1745 -16.1737 -16.1681 -16.1678 -16.1625 -16.1624 -16.1560 -16.1554 -13.6672 -13.6657 -13.6596 -13.6581 -13.6124 -13.6111 -13.6028 -13.6016 -13.5760 -13.5753 -13.5711 -13.5704 -9.9555 -9.9552 -9.8545 -9.8541 -5.6313 -5.6310 -5.5029 -5.5014 -2.2746 -2.2482 -2.2228 -2.2064 -1.1601 -1.1460 -1.0673 -1.0474 0.0971 0.1021 0.2754 0.2772 4.2281 4.2790 4.5883 4.6397 5.9908 6.0036 6.2447 6.2959 k = 0.0454 1.2562 1.5054 ( 8644 PWs) bands (ev): -16.1745 -16.1738 -16.1680 -16.1677 -16.1627 -16.1626 -16.1560 -16.1555 -13.6678 -13.6664 -13.6612 -13.6597 -13.6123 -13.6111 -13.6027 -13.6017 -13.5757 -13.5750 -13.5707 -13.5701 -9.9460 -9.9457 -9.8450 -9.8447 -5.6082 -5.6079 -5.4785 -5.4771 -2.3203 -2.2969 -2.2718 -2.2575 -1.2083 -1.1955 -1.1181 -1.0999 0.1036 0.1077 0.2815 0.2830 4.2714 4.3211 4.6049 4.6560 6.0300 6.0340 6.2495 6.3117 k = 0.0384 1.2961 1.5054 ( 8643 PWs) bands (ev): -16.1745 -16.1739 -16.1680 -16.1677 -16.1629 -16.1628 -16.1560 -16.1556 -13.6683 -13.6668 -13.6627 -13.6611 -13.6121 -13.6111 -13.6026 -13.6017 -13.5754 -13.5748 -13.5704 -13.5699 -9.9376 -9.9374 -9.8368 -9.8365 -5.5878 -5.5875 -5.4569 -5.4557 -2.3592 -2.3392 -2.3143 -2.3021 -1.2496 -1.2384 -1.1616 -1.1455 0.1095 0.1128 0.2868 0.2880 4.3115 4.3592 4.6183 4.6679 6.0587 6.0647 6.2481 6.3223 k = 0.0314 1.3360 1.5054 ( 8641 PWs) bands (ev): -16.1745 -16.1740 -16.1680 -16.1677 -16.1631 -16.1630 -16.1560 -16.1556 -13.6687 -13.6672 -13.6640 -13.6624 -13.6120 -13.6111 -13.6025 -13.6018 -13.5751 -13.5746 -13.5701 -13.5697 -9.9306 -9.9304 -9.8300 -9.8297 -5.5703 -5.5700 -5.4385 -5.4376 -2.3912 -2.3747 -2.3499 -2.3400 -1.2836 -1.2742 -1.1977 -1.1842 0.1148 0.1174 0.2913 0.2922 4.3480 4.3922 4.6289 4.6753 6.0791 6.0954 6.2424 6.3262 k = 0.0244 1.3759 1.5054 ( 8641 PWs) bands (ev): -16.1745 -16.1741 -16.1679 -16.1677 -16.1632 -16.1631 -16.1560 -16.1557 -13.6688 -13.6674 -13.6651 -13.6635 -13.6118 -13.6112 -13.6024 -13.6019 -13.5749 -13.5745 -13.5699 -13.5695 -9.9249 -9.9247 -9.8246 -9.8244 -5.5561 -5.5558 -5.4236 -5.4229 -2.4160 -2.4032 -2.3783 -2.3707 -1.3102 -1.3028 -1.2263 -1.2156 0.1192 0.1213 0.2947 0.2954 4.3802 4.4189 4.6373 4.6782 6.0968 6.1220 6.2349 6.3212 k = 0.0174 1.4159 1.5054 ( 8643 PWs) bands (ev): -16.1745 -16.1742 -16.1679 -16.1677 -16.1633 -16.1632 -16.1560 -16.1558 -13.6689 -13.6675 -13.6659 -13.6645 -13.6117 -13.6112 -13.6023 -13.6019 -13.5747 -13.5744 -13.5697 -13.5694 -9.9205 -9.9204 -9.8207 -9.8205 -5.5454 -5.5452 -5.4126 -5.4121 -2.4335 -2.4245 -2.3993 -2.3941 -1.3291 -1.3238 -1.2472 -1.2395 0.1229 0.1243 0.2971 0.2976 4.4074 4.4381 4.6444 4.6770 6.1126 6.1423 6.2297 6.3073 k = 0.0104 1.4558 1.5054 ( 8640 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1677 -16.1633 -16.1633 -16.1559 -16.1558 -13.6687 -13.6677 -13.6663 -13.6652 -13.6116 -13.6113 -13.6023 -13.6020 -13.5746 -13.5744 -13.5695 -13.5694 -9.9176 -9.9175 -9.8183 -9.8182 -5.5384 -5.5383 -5.4057 -5.4054 -2.4436 -2.4383 -2.4127 -2.4098 -1.3404 -1.3373 -1.2604 -1.2557 0.1256 0.1264 0.2984 0.2987 4.4286 4.4485 4.6512 4.6723 6.1270 6.1518 6.2328 6.2876 k = 0.0034 1.4957 1.5054 ( 8628 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6685 -13.6681 -13.6661 -13.6658 -13.6115 -13.6114 -13.6022 -13.6021 -13.5745 -13.5744 -13.5694 -13.5694 -9.9161 -9.9161 -9.8174 -9.8174 -5.5352 -5.5352 -5.4029 -5.4028 -2.4462 -2.4446 -2.4185 -2.4176 -1.3440 -1.3430 -1.2657 -1.2642 0.1273 0.1276 0.2986 0.2987 4.4427 4.4496 4.6578 4.6650 6.1394 6.1488 6.2466 6.2660 k = 0.0034 1.4957 1.5054 ( 8628 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6685 -13.6681 -13.6661 -13.6658 -13.6115 -13.6114 -13.6022 -13.6021 -13.5745 -13.5744 -13.5694 -13.5694 -9.9161 -9.9161 -9.8174 -9.8174 -5.5352 -5.5352 -5.4029 -5.4028 -2.4462 -2.4446 -2.4185 -2.4176 -1.3440 -1.3430 -1.2657 -1.2642 0.1273 0.1276 0.2986 0.2987 4.4427 4.4496 4.6578 4.6650 6.1394 6.1488 6.2466 6.2660 k = 0.0000 1.5054 1.4957 ( 8632 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4470 4.4470 4.6612 4.6612 6.1444 6.1444 6.2559 6.2559 k = 0.0000 1.5054 1.4957 ( 8632 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4470 4.4470 4.6612 4.6612 6.1444 6.1444 6.2559 6.2559 k = 0.0000 1.4764 1.4669 ( 8644 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6657 -13.6657 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8189 -9.8189 -5.5364 -5.5364 -5.4059 -5.4059 -2.4396 -2.4396 -2.4165 -2.4165 -1.3373 -1.3373 -1.2639 -1.2639 0.1287 0.1287 0.2963 0.2963 4.4449 4.4449 4.6584 4.6584 6.1423 6.1423 6.2555 6.2555 k = 0.0000 1.4475 1.4381 ( 8642 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1558 -16.1558 -13.6684 -13.6684 -13.6651 -13.6651 -13.6115 -13.6115 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8234 -9.8234 -5.5409 -5.5409 -5.4154 -5.4154 -2.4253 -2.4253 -2.4063 -2.4063 -1.3190 -1.3190 -1.2579 -1.2579 0.1319 0.1319 0.2898 0.2898 4.4384 4.4384 4.6505 4.6505 6.1360 6.1360 6.2545 6.2546 k = 0.0000 1.4185 1.4094 ( 8638 PWs) bands (ev): -16.1743 -16.1743 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6643 -13.6643 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5697 -13.5697 -9.9158 -9.9158 -9.8308 -9.8308 -5.5481 -5.5481 -5.4310 -5.4310 -2.4134 -2.4134 -2.3775 -2.3775 -1.2919 -1.2919 -1.2447 -1.2447 0.1370 0.1370 0.2791 0.2791 4.4264 4.4264 4.6387 4.6388 6.1253 6.1253 6.2529 6.2529 k = 0.0000 1.3896 1.3806 ( 8652 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1631 -16.1631 -16.1558 -16.1558 -13.6681 -13.6681 -13.6632 -13.6631 -13.6115 -13.6115 -13.6021 -13.6021 -13.5748 -13.5748 -13.5699 -13.5699 -9.9157 -9.9157 -9.8412 -9.8412 -5.5577 -5.5577 -5.4523 -5.4523 -2.4028 -2.4028 -2.3317 -2.3317 -1.2663 -1.2663 -1.2146 -1.2146 0.1440 0.1440 0.2646 0.2646 4.4073 4.4073 4.6253 4.6253 6.1102 6.1102 6.2512 6.2512 k = 0.0000 1.3606 1.3519 ( 8644 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1629 -16.1629 -16.1557 -16.1557 -13.6678 -13.6678 -13.6618 -13.6618 -13.6116 -13.6116 -13.6021 -13.6021 -13.5750 -13.5750 -13.5701 -13.5701 -9.9156 -9.9156 -9.8545 -9.8545 -5.5692 -5.5692 -5.4785 -5.4785 -2.3906 -2.3906 -2.2727 -2.2727 -1.2480 -1.2480 -1.1625 -1.1625 0.1522 0.1522 0.2471 0.2471 4.3794 4.3794 4.6125 4.6125 6.0901 6.0901 6.2501 6.2501 k = 0.0000 1.3317 1.3231 ( 8644 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1628 -16.1628 -16.1556 -16.1556 -13.6673 -13.6673 -13.6604 -13.6604 -13.6117 -13.6117 -13.6021 -13.6021 -13.5752 -13.5752 -13.5704 -13.5704 -9.9156 -9.9156 -9.8705 -9.8705 -5.5821 -5.5821 -5.5092 -5.5092 -2.3762 -2.3762 -2.2016 -2.2016 -1.2316 -1.2316 -1.0947 -1.0947 0.1601 0.1601 0.2286 0.2286 4.3416 4.3416 4.6022 4.6023 6.0648 6.0648 6.2504 6.2504 k = 0.0000 1.3027 1.2943 ( 8636 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1626 -16.1626 -16.1555 -16.1555 -13.6666 -13.6666 -13.6587 -13.6587 -13.6118 -13.6118 -13.6021 -13.6021 -13.5754 -13.5754 -13.5708 -13.5708 -9.9156 -9.9156 -9.8892 -9.8892 -5.5957 -5.5957 -5.5435 -5.5435 -2.3594 -2.3594 -2.1196 -2.1196 -1.2139 -1.2139 -1.0153 -1.0153 0.1617 0.1617 0.2156 0.2156 4.2937 4.2937 4.5956 4.5956 6.0336 6.0336 6.2524 6.2524 k = 0.0000 1.2738 1.2656 ( 8624 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1623 -16.1623 -16.1554 -16.1554 -13.6658 -13.6658 -13.6569 -13.6569 -13.6119 -13.6119 -13.6021 -13.6021 -13.5757 -13.5757 -13.5712 -13.5712 -9.9167 -9.9167 -9.9095 -9.9095 -5.6095 -5.6095 -5.5806 -5.5806 -2.3404 -2.3404 -2.0273 -2.0273 -1.1942 -1.1942 -0.9263 -0.9263 0.1477 0.1477 0.2180 0.2180 4.2365 4.2365 4.5924 4.5924 5.9960 5.9960 6.2562 6.2562 k = 0.0000 1.2448 1.2368 ( 8608 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1621 -16.1621 -16.1553 -16.1553 -13.6648 -13.6648 -13.6550 -13.6550 -13.6120 -13.6120 -13.6021 -13.6021 -13.5760 -13.5760 -13.5716 -13.5716 -9.9352 -9.9352 -9.9149 -9.9149 -5.6239 -5.6239 -5.6190 -5.6190 -2.3190 -2.3190 -1.9259 -1.9259 -1.1720 -1.1720 -0.8295 -0.8295 0.1227 0.1227 0.2321 0.2321 4.1714 4.1714 4.5923 4.5923 5.9511 5.9511 6.2613 6.2613 k = 0.0000 1.2159 1.2080 ( 8616 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1618 -16.1618 -16.1552 -16.1552 -13.6638 -13.6638 -13.6530 -13.6530 -13.6121 -13.6121 -13.6020 -13.6020 -13.5764 -13.5764 -13.5721 -13.5721 -9.9612 -9.9612 -9.9153 -9.9153 -5.6612 -5.6612 -5.6349 -5.6349 -2.2954 -2.2954 -1.8162 -1.8162 -1.1470 -1.1470 -0.7272 -0.7272 0.0944 0.0944 0.2518 0.2518 4.0997 4.0997 4.5947 4.5947 5.8980 5.8980 6.2668 6.2668 k = 0.0000 1.1869 1.1793 ( 8616 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1615 -16.1615 -16.1550 -16.1550 -13.6626 -13.6626 -13.6509 -13.6509 -13.6122 -13.6122 -13.6020 -13.6020 -13.5768 -13.5768 -13.5727 -13.5727 -9.9896 -9.9896 -9.9157 -9.9157 -5.7027 -5.7026 -5.6461 -5.6461 -2.2695 -2.2695 -1.6995 -1.6995 -1.1189 -1.1189 -0.6225 -0.6225 0.0672 0.0672 0.2753 0.2753 4.0226 4.0226 4.5989 4.5989 5.8357 5.8357 6.2712 6.2712 k = 0.0000 1.1580 1.1505 ( 8608 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1612 -16.1612 -16.1549 -16.1549 -13.6613 -13.6613 -13.6487 -13.6487 -13.6123 -13.6123 -13.6019 -13.6019 -13.5772 -13.5772 -13.5733 -13.5733 -10.0201 -10.0201 -9.9162 -9.9162 -5.7443 -5.7443 -5.6553 -5.6553 -2.2415 -2.2415 -1.5771 -1.5771 -1.0870 -1.0870 -0.5206 -0.5206 0.0458 0.0458 0.3022 0.3022 3.9412 3.9412 4.6043 4.6043 5.7634 5.7634 6.2720 6.2720 k = 0.0000 1.1290 1.1218 ( 8612 PWs) bands (ev): -16.1743 -16.1743 -16.1678 -16.1678 -16.1608 -16.1608 -16.1547 -16.1547 -13.6600 -13.6600 -13.6464 -13.6464 -13.6124 -13.6124 -13.6018 -13.6018 -13.5777 -13.5777 -13.5739 -13.5739 -10.0525 -10.0525 -9.9169 -9.9169 -5.7854 -5.7854 -5.6623 -5.6623 -2.2113 -2.2113 -1.4513 -1.4513 -1.0500 -1.0500 -0.4308 -0.4308 0.0388 0.0388 0.3328 0.3328 3.8565 3.8565 4.6100 4.6100 5.6811 5.6811 6.2654 6.2654 k = 0.0000 1.1001 1.0930 ( 8620 PWs) bands (ev): -16.1743 -16.1743 -16.1679 -16.1679 -16.1605 -16.1605 -16.1545 -16.1545 -13.6587 -13.6587 -13.6440 -13.6440 -13.6125 -13.6125 -13.6017 -13.6017 -13.5782 -13.5782 -13.5745 -13.5745 -10.0866 -10.0866 -9.9177 -9.9177 -5.8255 -5.8255 -5.6669 -5.6669 -2.1791 -2.1791 -1.3258 -1.3258 -1.0050 -1.0050 -0.3672 -0.3672 0.0588 0.0588 0.3681 0.3681 3.7693 3.7693 4.6151 4.6151 5.5895 5.5895 6.2462 6.2462 k = 0.0000 1.0711 1.0642 ( 8628 PWs) bands (ev): -16.1743 -16.1743 -16.1679 -16.1679 -16.1601 -16.1601 -16.1544 -16.1544 -13.6573 -13.6573 -13.6416 -13.6416 -13.6126 -13.6126 -13.6015 -13.6015 -13.5788 -13.5788 -13.5752 -13.5752 -10.1223 -10.1223 -9.9189 -9.9189 -5.8640 -5.8640 -5.6686 -5.6686 -2.1449 -2.1449 -1.2076 -1.2076 -0.9461 -0.9461 -0.3401 -0.3401 0.1138 0.1138 0.4099 0.4099 3.6806 3.6806 4.6182 4.6182 5.4903 5.4903 6.2076 6.2076 k = 0.0000 1.0422 1.0355 ( 8622 PWs) bands (ev): -16.1743 -16.1743 -16.1680 -16.1680 -16.1597 -16.1597 -16.1542 -16.1542 -13.6560 -13.6560 -13.6392 -13.6392 -13.6127 -13.6127 -13.6013 -13.6013 -13.5793 -13.5793 -13.5759 -13.5759 -10.1592 -10.1592 -9.9203 -9.9203 -5.9006 -5.9006 -5.6674 -5.6674 -2.1087 -2.1087 -1.1076 -1.1076 -0.8642 -0.8642 -0.3437 -0.3437 0.1939 0.1939 0.4622 0.4622 3.5913 3.5913 4.6171 4.6171 5.3862 5.3862 6.1404 6.1404 k = 0.0000 1.0132 1.0067 ( 8622 PWs) bands (ev): -16.1743 -16.1743 -16.1681 -16.1681 -16.1594 -16.1594 -16.1541 -16.1541 -13.6547 -13.6547 -13.6368 -13.6368 -13.6128 -13.6128 -13.6011 -13.6011 -13.5799 -13.5799 -13.5766 -13.5766 -10.1974 -10.1974 -9.9220 -9.9220 -5.9348 -5.9348 -5.6631 -5.6631 -2.0707 -2.0707 -1.0313 -1.0313 -0.7568 -0.7568 -0.3625 -0.3625 0.2790 0.2790 0.5312 0.5312 3.5024 3.5024 4.6089 4.6089 5.2813 5.2813 6.0443 6.0443 k = 0.0000 0.9843 0.9779 ( 8614 PWs) bands (ev): -16.1744 -16.1744 -16.1682 -16.1682 -16.1590 -16.1590 -16.1539 -16.1539 -13.6535 -13.6535 -13.6343 -13.6343 -13.6128 -13.6128 -13.6008 -13.6008 -13.5805 -13.5805 -13.5774 -13.5774 -10.2364 -10.2364 -9.9241 -9.9241 -5.9663 -5.9663 -5.6556 -5.6556 -2.0309 -2.0309 -0.9721 -0.9721 -0.6410 -0.6410 -0.3781 -0.3781 0.3538 0.3538 0.6218 0.6218 3.4151 3.4151 4.5891 4.5891 5.1806 5.1806 5.9304 5.9304 k = 0.0000 0.9553 0.9492 ( 8614 PWs) bands (ev): -16.1744 -16.1744 -16.1683 -16.1683 -16.1586 -16.1586 -16.1537 -16.1537 -13.6523 -13.6523 -13.6319 -13.6319 -13.6128 -13.6128 -13.6004 -13.6004 -13.5812 -13.5812 -13.5781 -13.5781 -10.2762 -10.2762 -9.9265 -9.9265 -5.9949 -5.9949 -5.6448 -5.6448 -1.9895 -1.9895 -0.9214 -0.9214 -0.5635 -0.5635 -0.3483 -0.3483 0.4146 0.4146 0.7307 0.7307 3.3310 3.3310 4.5521 4.5521 5.0901 5.0901 5.8081 5.8081 k = 0.0000 0.9264 0.9204 ( 8596 PWs) bands (ev): -16.1745 -16.1745 -16.1684 -16.1684 -16.1583 -16.1583 -16.1536 -16.1536 -13.6514 -13.6514 -13.6295 -13.6295 -13.6127 -13.6127 -13.6000 -13.6000 -13.5818 -13.5818 -13.5789 -13.5789 -10.3166 -10.3166 -9.9293 -9.9293 -6.0202 -6.0202 -5.6307 -5.6307 -1.9464 -1.9464 -0.8746 -0.8746 -0.5622 -0.5622 -0.2379 -0.2379 0.4656 0.4656 0.8488 0.8488 3.2521 3.2521 4.4935 4.4935 5.0136 5.0136 5.6845 5.6845 k = 0.0000 0.8974 0.8917 ( 8596 PWs) bands (ev): -16.1745 -16.1745 -16.1686 -16.1686 -16.1579 -16.1579 -16.1535 -16.1535 -13.6505 -13.6505 -13.6271 -13.6271 -13.6127 -13.6127 -13.5996 -13.5996 -13.5825 -13.5825 -13.5796 -13.5796 -10.3574 -10.3574 -9.9325 -9.9325 -6.0421 -6.0421 -5.6132 -5.6132 -1.9019 -1.9019 -0.8300 -0.8300 -0.5947 -0.5947 -0.0906 -0.0906 0.5112 0.5112 0.9671 0.9671 3.1809 3.1809 4.4130 4.4130 4.9498 4.9498 5.5662 5.5662 k = 0.0000 0.8685 0.8629 ( 8612 PWs) bands (ev): -16.1746 -16.1746 -16.1687 -16.1687 -16.1576 -16.1576 -16.1533 -16.1533 -13.6498 -13.6498 -13.6249 -13.6249 -13.6125 -13.6125 -13.5991 -13.5991 -13.5832 -13.5832 -13.5804 -13.5804 -10.3983 -10.3983 -9.9360 -9.9360 -6.0604 -6.0604 -5.5925 -5.5925 -1.8560 -1.8560 -0.7883 -0.7883 -0.6346 -0.6346 0.0681 0.0681 0.5537 0.5537 1.0782 1.0782 3.1207 3.1207 4.3157 4.3157 4.8910 4.8910 5.4602 5.4602 k = 0.0000 0.8395 0.8341 ( 8592 PWs) bands (ev): -16.1747 -16.1747 -16.1688 -16.1688 -16.1573 -16.1573 -16.1532 -16.1532 -13.6493 -13.6493 -13.6227 -13.6227 -13.6123 -13.6123 -13.5985 -13.5985 -13.5839 -13.5839 -13.5811 -13.5811 -10.4392 -10.4392 -9.9400 -9.9400 -6.0750 -6.0750 -5.5684 -5.5684 -1.8090 -1.8090 -0.7570 -0.7570 -0.6676 -0.6676 0.2305 0.2305 0.5941 0.5941 1.1755 1.1755 3.0753 3.0753 4.2086 4.2086 4.8276 4.8276 5.3730 5.3730 k = 0.0000 0.8106 0.8054 ( 8584 PWs) bands (ev): -16.1748 -16.1748 -16.1690 -16.1690 -16.1570 -16.1570 -16.1531 -16.1531 -13.6490 -13.6490 -13.6208 -13.6208 -13.6119 -13.6119 -13.5979 -13.5979 -13.5847 -13.5847 -13.5818 -13.5818 -10.4800 -10.4800 -9.9443 -9.9443 -6.0858 -6.0858 -5.5411 -5.5411 -1.7609 -1.7609 -0.7648 -0.7648 -0.6627 -0.6627 0.3934 0.3934 0.6329 0.6329 1.2528 1.2528 3.0483 3.0483 4.0986 4.0986 4.7537 4.7537 5.3082 5.3082 k = 0.0000 0.7816 0.7766 ( 8592 PWs) bands (ev): -16.1749 -16.1749 -16.1691 -16.1691 -16.1567 -16.1567 -16.1531 -16.1531 -13.6488 -13.6488 -13.6192 -13.6192 -13.6113 -13.6113 -13.5973 -13.5973 -13.5854 -13.5854 -13.5824 -13.5824 -10.5204 -10.5204 -9.9490 -9.9490 -6.0928 -6.0928 -5.5107 -5.5107 -1.7119 -1.7119 -0.8040 -0.8040 -0.6263 -0.6263 0.5538 0.5538 0.6703 0.6703 1.3050 1.3050 3.0416 3.0416 3.9921 3.9921 4.6696 4.6696 5.2640 5.2640 k = 0.0000 0.7527 0.7478 ( 8596 PWs) bands (ev): -16.1750 -16.1750 -16.1693 -16.1693 -16.1565 -16.1565 -16.1530 -16.1530 -13.6489 -13.6489 -13.6179 -13.6179 -13.6104 -13.6104 -13.5967 -13.5967 -13.5861 -13.5861 -13.5830 -13.5830 -10.5604 -10.5604 -9.9540 -9.9540 -6.0959 -6.0959 -5.4773 -5.4773 -1.6622 -1.6622 -0.8499 -0.8499 -0.5826 -0.5826 0.6915 0.6915 0.7234 0.7234 1.3298 1.3298 3.0531 3.0531 3.8965 3.8965 4.5808 4.5808 5.2350 5.2350 k = 0.0000 0.7237 0.7191 ( 8599 PWs) bands (ev): -16.1751 -16.1751 -16.1694 -16.1694 -16.1562 -16.1562 -16.1529 -16.1529 -13.6490 -13.6490 -13.6170 -13.6170 -13.6092 -13.6092 -13.5962 -13.5962 -13.5869 -13.5869 -13.5835 -13.5835 -10.5997 -10.5997 -9.9594 -9.9594 -6.0952 -6.0952 -5.4409 -5.4409 -1.6121 -1.6121 -0.8967 -0.8967 -0.5369 -0.5369 0.7296 0.7296 0.8650 0.8650 1.3285 1.3285 3.0745 3.0745 3.8217 3.8217 4.4940 4.4940 5.2152 5.2152 k = 0.0000 0.6948 0.6903 ( 8595 PWs) bands (ev): -16.1753 -16.1753 -16.1696 -16.1696 -16.1560 -16.1560 -16.1529 -16.1529 -13.6494 -13.6494 -13.6164 -13.6164 -13.6078 -13.6078 -13.5957 -13.5957 -13.5876 -13.5876 -13.5839 -13.5839 -10.6383 -10.6383 -9.9651 -9.9651 -6.0907 -6.0907 -5.4018 -5.4018 -1.5620 -1.5620 -0.9429 -0.9429 -0.4903 -0.4903 0.7533 0.7533 1.0046 1.0046 1.3062 1.3062 3.0907 3.0907 3.7810 3.7810 4.4159 4.4159 5.2002 5.2002 k = 0.0000 0.6658 0.6615 ( 8597 PWs) bands (ev): -16.1754 -16.1754 -16.1697 -16.1697 -16.1558 -16.1558 -16.1529 -16.1529 -13.6498 -13.6498 -13.6161 -13.6161 -13.6063 -13.6063 -13.5953 -13.5953 -13.5883 -13.5883 -13.5841 -13.5841 -10.6759 -10.6759 -9.9710 -9.9710 -6.0825 -6.0825 -5.3600 -5.3600 -1.5122 -1.5122 -0.9877 -0.9877 -0.4435 -0.4435 0.7660 0.7660 1.1301 1.1301 1.2720 1.2720 3.0865 3.0865 3.7852 3.7852 4.3525 4.3525 5.1871 5.1871 k = 0.0000 0.6369 0.6328 ( 8597 PWs) bands (ev): -16.1756 -16.1756 -16.1699 -16.1699 -16.1557 -16.1557 -16.1529 -16.1529 -13.6504 -13.6504 -13.6159 -13.6159 -13.6048 -13.6048 -13.5950 -13.5950 -13.5889 -13.5889 -13.5842 -13.5842 -10.7126 -10.7126 -9.9772 -9.9772 -6.0708 -6.0708 -5.3157 -5.3157 -1.4633 -1.4633 -1.0302 -1.0302 -0.3968 -0.3968 0.7625 0.7625 1.2158 1.2158 1.2573 1.2573 3.0584 3.0584 3.8316 3.8316 4.3113 4.3113 5.1743 5.1743 k = 0.0000 0.6079 0.6040 ( 8595 PWs) bands (ev): -16.1757 -16.1757 -16.1700 -16.1700 -16.1556 -16.1556 -16.1529 -16.1529 -13.6511 -13.6511 -13.6159 -13.6159 -13.6034 -13.6034 -13.5949 -13.5949 -13.5896 -13.5896 -13.5842 -13.5842 -10.7482 -10.7482 -9.9835 -9.9835 -6.0556 -6.0556 -5.2692 -5.2692 -1.4165 -1.4165 -1.0694 -1.0694 -0.3505 -0.3505 0.7366 0.7366 1.1966 1.1966 1.3329 1.3329 3.0156 3.0156 3.9016 3.9016 4.3022 4.3022 5.1614 5.1614 k = 0.0000 0.5790 0.5753 ( 8591 PWs) bands (ev): -16.1759 -16.1759 -16.1701 -16.1701 -16.1555 -16.1555 -16.1529 -16.1529 -13.6520 -13.6520 -13.6159 -13.6159 -13.6021 -13.6021 -13.5949 -13.5949 -13.5901 -13.5901 -13.5840 -13.5840 -10.7826 -10.7826 -9.9900 -9.9900 -6.0372 -6.0372 -5.2206 -5.2206 -1.3737 -1.3737 -1.1033 -1.1033 -0.3049 -0.3049 0.6855 0.6855 1.1801 1.1801 1.3936 1.3936 2.9701 2.9701 3.9726 3.9726 4.3365 4.3365 5.1487 5.1487 k = 0.0000 0.5500 0.5465 ( 8595 PWs) bands (ev): -16.1761 -16.1761 -16.1703 -16.1703 -16.1554 -16.1554 -16.1530 -16.1530 -13.6528 -13.6528 -13.6160 -13.6160 -13.6009 -13.6009 -13.5951 -13.5951 -13.5906 -13.5906 -13.5836 -13.5836 -10.8156 -10.8156 -9.9966 -9.9966 -6.0157 -6.0157 -5.1702 -5.1702 -1.3389 -1.3389 -1.1281 -1.1281 -0.2602 -0.2602 0.6120 0.6120 1.1748 1.1748 1.4277 1.4277 2.9293 2.9293 4.0334 4.0334 4.4158 4.4158 5.1376 5.1376 k = 0.0000 0.5211 0.5177 ( 8587 PWs) bands (ev): -16.1762 -16.1762 -16.1704 -16.1704 -16.1553 -16.1553 -16.1530 -16.1530 -13.6538 -13.6538 -13.6161 -13.6161 -13.5998 -13.5998 -13.5953 -13.5953 -13.5911 -13.5911 -13.5832 -13.5832 -10.8473 -10.8473 -10.0032 -10.0032 -5.9915 -5.9915 -5.1182 -5.1182 -1.3191 -1.3191 -1.1369 -1.1369 -0.2168 -0.2168 0.5226 0.5226 1.1748 1.1748 1.4372 1.4372 2.8960 2.8960 4.0914 4.0914 4.5246 4.5246 5.1306 5.1306 k = 0.0000 0.4921 0.4890 ( 8599 PWs) bands (ev): -16.1764 -16.1764 -16.1706 -16.1706 -16.1553 -16.1553 -16.1531 -16.1531 -13.6548 -13.6548 -13.6162 -13.6162 -13.5990 -13.5990 -13.5956 -13.5956 -13.5914 -13.5914 -13.5827 -13.5827 -10.8776 -10.8776 -10.0097 -10.0097 -5.9647 -5.9647 -5.0650 -5.0650 -1.3192 -1.3192 -1.1249 -1.1249 -0.1750 -0.1750 0.4234 0.4234 1.1717 1.1717 1.4291 1.4291 2.8696 2.8696 4.1577 4.1577 4.6414 4.6414 5.1330 5.1330 k = 0.0000 0.4632 0.4602 ( 8605 PWs) bands (ev): -16.1766 -16.1766 -16.1707 -16.1707 -16.1553 -16.1553 -16.1532 -16.1532 -13.6559 -13.6559 -13.6164 -13.6164 -13.5985 -13.5985 -13.5959 -13.5959 -13.5916 -13.5916 -13.5821 -13.5821 -10.9064 -10.9064 -10.0162 -10.0162 -5.9358 -5.9358 -5.0108 -5.0108 -1.3346 -1.3346 -1.0974 -1.0974 -0.1353 -0.1353 0.3192 0.3192 1.1557 1.1557 1.4152 1.4152 2.8478 2.8478 4.2374 4.2374 4.7465 4.7465 5.1537 5.1537 k = 0.0000 0.4342 0.4314 ( 8599 PWs) bands (ev): -16.1768 -16.1768 -16.1708 -16.1708 -16.1553 -16.1553 -16.1532 -16.1532 -13.6570 -13.6570 -13.6166 -13.6166 -13.5982 -13.5982 -13.5962 -13.5962 -13.5916 -13.5916 -13.5815 -13.5815 -10.9336 -10.9336 -10.0226 -10.0226 -5.9050 -5.9050 -4.9559 -4.9559 -1.3569 -1.3569 -1.0627 -1.0627 -0.0982 -0.0982 0.2134 0.2134 1.1188 1.1188 1.4075 1.4075 2.8285 2.8285 4.3300 4.3300 4.8225 4.8225 5.2034 5.2034 k = 0.0000 0.4053 0.4027 ( 8591 PWs) bands (ev): -16.1770 -16.1770 -16.1709 -16.1709 -16.1553 -16.1553 -16.1533 -16.1533 -13.6581 -13.6581 -13.6168 -13.6168 -13.5982 -13.5982 -13.5964 -13.5964 -13.5915 -13.5915 -13.5809 -13.5809 -10.9592 -10.9592 -10.0288 -10.0288 -5.8728 -5.8728 -4.9009 -4.9009 -1.3815 -1.3815 -1.0263 -1.0263 -0.0646 -0.0646 0.1091 0.1091 1.0610 1.0610 1.4103 1.4103 2.8103 2.8103 4.4316 4.4316 4.8658 4.8658 5.2816 5.2816 k = 0.0000 0.3763 0.3739 ( 8599 PWs) bands (ev): -16.1771 -16.1771 -16.1711 -16.1711 -16.1554 -16.1554 -16.1534 -16.1534 -13.6592 -13.6592 -13.6170 -13.6170 -13.5983 -13.5983 -13.5966 -13.5966 -13.5914 -13.5914 -13.5803 -13.5803 -10.9831 -10.9831 -10.0348 -10.0348 -5.8395 -5.8395 -4.8460 -4.8460 -1.4060 -1.4060 -0.9909 -0.9909 -0.0393 -0.0393 0.0126 0.0126 0.9888 0.9888 1.4212 1.4212 2.7927 2.7927 4.5349 4.5349 4.8908 4.8908 5.3732 5.3732 k = 0.0000 0.3474 0.3452 ( 8603 PWs) bands (ev): -16.1773 -16.1773 -16.1712 -16.1712 -16.1554 -16.1554 -16.1535 -16.1535 -13.6603 -13.6603 -13.6172 -13.6172 -13.5986 -13.5986 -13.5969 -13.5969 -13.5912 -13.5912 -13.5797 -13.5797 -11.0054 -11.0054 -10.0406 -10.0406 -5.8056 -5.8056 -4.7918 -4.7918 -1.4294 -1.4294 -0.9584 -0.9584 -0.0954 -0.0954 -0.0019 -0.0019 0.9097 0.9097 1.4366 1.4366 2.7756 2.7756 4.6281 4.6281 4.9171 4.9171 5.4626 5.4626 k = 0.0000 0.3184 0.3164 ( 8591 PWs) bands (ev): -16.1775 -16.1775 -16.1713 -16.1713 -16.1555 -16.1555 -16.1536 -16.1536 -13.6613 -13.6613 -13.6174 -13.6174 -13.5989 -13.5989 -13.5971 -13.5971 -13.5909 -13.5909 -13.5791 -13.5791 -11.0260 -11.0260 -10.0460 -10.0460 -5.7716 -5.7716 -4.7388 -4.7388 -1.4511 -1.4511 -0.9306 -0.9306 -0.1830 -0.1830 0.0170 0.0170 0.8297 0.8297 1.4537 1.4537 2.7593 2.7593 4.6947 4.6947 4.9643 4.9643 5.5414 5.5414 k = 0.0000 0.2895 0.2876 ( 8595 PWs) bands (ev): -16.1776 -16.1776 -16.1714 -16.1714 -16.1556 -16.1556 -16.1537 -16.1537 -13.6623 -13.6623 -13.6176 -13.6176 -13.5993 -13.5993 -13.5973 -13.5973 -13.5907 -13.5907 -13.5786 -13.5786 -11.0449 -11.0449 -10.0511 -10.0511 -5.7379 -5.7379 -4.6875 -4.6875 -1.4710 -1.4710 -0.9090 -0.9090 -0.2627 -0.2627 0.0308 0.0308 0.7534 0.7534 1.4711 1.4711 2.7442 2.7442 4.7272 4.7272 5.0395 5.0395 5.6065 5.6065 k = 0.0000 0.2605 0.2589 ( 8603 PWs) bands (ev): -16.1778 -16.1778 -16.1715 -16.1715 -16.1556 -16.1556 -16.1538 -16.1538 -13.6633 -13.6633 -13.6178 -13.6178 -13.5996 -13.5996 -13.5976 -13.5976 -13.5905 -13.5905 -13.5781 -13.5781 -11.0619 -11.0619 -10.0558 -10.0558 -5.7051 -5.7051 -4.6384 -4.6384 -1.4887 -1.4887 -0.8955 -0.8955 -0.3309 -0.3309 0.0369 0.0369 0.6847 0.6847 1.4877 1.4877 2.7304 2.7304 4.7368 4.7368 5.1301 5.1301 5.6585 5.6585 k = 0.0000 0.2316 0.2301 ( 8595 PWs) bands (ev): -16.1779 -16.1779 -16.1715 -16.1715 -16.1557 -16.1557 -16.1538 -16.1538 -13.6642 -13.6642 -13.6180 -13.6180 -13.6000 -13.6000 -13.5978 -13.5978 -13.5904 -13.5904 -13.5777 -13.5777 -11.0773 -11.0773 -10.0601 -10.0601 -5.6738 -5.6738 -4.5922 -4.5922 -1.5042 -1.5042 -0.8916 -0.8916 -0.3855 -0.3855 0.0342 0.0342 0.6266 0.6266 1.5030 1.5030 2.7183 2.7183 4.7356 4.7356 5.2224 5.2224 5.6993 5.6993 k = 0.0000 0.2026 0.2013 ( 8583 PWs) bands (ev): -16.1780 -16.1780 -16.1716 -16.1716 -16.1558 -16.1558 -16.1539 -16.1539 -13.6650 -13.6650 -13.6182 -13.6182 -13.6002 -13.6002 -13.5980 -13.5980 -13.5902 -13.5902 -13.5773 -13.5773 -11.0908 -11.0908 -10.0640 -10.0640 -5.6445 -5.6445 -4.5495 -4.5495 -1.5177 -1.5177 -0.8978 -0.8978 -0.4252 -0.4252 0.0225 0.0225 0.5807 0.5807 1.5167 1.5167 2.7078 2.7078 4.7300 4.7300 5.3090 5.3090 5.7312 5.7312 k = 0.0000 0.1737 0.1726 ( 8581 PWs) bands (ev): -16.1781 -16.1781 -16.1717 -16.1717 -16.1558 -16.1558 -16.1540 -16.1540 -13.6657 -13.6657 -13.6183 -13.6183 -13.6005 -13.6005 -13.5982 -13.5982 -13.5901 -13.5901 -13.5769 -13.5769 -11.1026 -11.1026 -10.0674 -10.0674 -5.6177 -5.6177 -4.5109 -4.5109 -1.5290 -1.5290 -0.9129 -0.9129 -0.4510 -0.4510 0.0031 0.0031 0.5472 0.5472 1.5286 1.5286 2.6990 2.6990 4.7229 4.7229 5.3864 5.3864 5.7559 5.7559 k = 0.0000 0.1447 0.1438 ( 8581 PWs) bands (ev): -16.1782 -16.1782 -16.1717 -16.1717 -16.1559 -16.1559 -16.1540 -16.1540 -13.6663 -13.6663 -13.6185 -13.6185 -13.6007 -13.6007 -13.5983 -13.5983 -13.5900 -13.5900 -13.5766 -13.5766 -11.1126 -11.1126 -10.0703 -10.0703 -5.5939 -5.5939 -4.4770 -4.4770 -1.5382 -1.5382 -0.9337 -0.9337 -0.4655 -0.4655 -0.0213 -0.0213 0.5246 0.5246 1.5387 1.5387 2.6917 2.6917 4.7157 4.7157 5.4531 5.4531 5.7747 5.7747 k = 0.0000 0.1158 0.1151 ( 8585 PWs) bands (ev): -16.1783 -16.1783 -16.1718 -16.1718 -16.1559 -16.1559 -16.1541 -16.1541 -13.6669 -13.6669 -13.6186 -13.6186 -13.6009 -13.6009 -13.5985 -13.5985 -13.5900 -13.5900 -13.5764 -13.5764 -11.1207 -11.1207 -10.0727 -10.0727 -5.5737 -5.5737 -4.4483 -4.4483 -1.5456 -1.5456 -0.9563 -0.9563 -0.4723 -0.4723 -0.0471 -0.0471 0.5104 0.5104 1.5469 1.5469 2.6861 2.6861 4.7091 4.7091 5.5084 5.5084 5.7886 5.7886 k = 0.0000 0.0868 0.0863 ( 8597 PWs) bands (ev): -16.1784 -16.1784 -16.1718 -16.1718 -16.1560 -16.1560 -16.1541 -16.1541 -13.6673 -13.6673 -13.6187 -13.6187 -13.6011 -13.6011 -13.5986 -13.5986 -13.5899 -13.5899 -13.5762 -13.5762 -11.1271 -11.1271 -10.0746 -10.0746 -5.5575 -5.5575 -4.4254 -4.4254 -1.5512 -1.5512 -0.9771 -0.9771 -0.4746 -0.4746 -0.0710 -0.0710 0.5020 0.5020 1.5532 1.5532 2.6818 2.6818 4.7036 4.7036 5.5520 5.5520 5.7982 5.7982 k = 0.0000 0.0579 0.0575 ( 8605 PWs) bands (ev): -16.1784 -16.1784 -16.1718 -16.1718 -16.1560 -16.1560 -16.1541 -16.1541 -13.6676 -13.6676 -13.6188 -13.6188 -13.6012 -13.6012 -13.5986 -13.5986 -13.5899 -13.5899 -13.5761 -13.5761 -11.1316 -11.1316 -10.0760 -10.0760 -5.5457 -5.5457 -4.4088 -4.4088 -1.5551 -1.5551 -0.9937 -0.9937 -0.4748 -0.4748 -0.0901 -0.0901 0.4975 0.4975 1.5576 1.5576 2.6788 2.6788 4.6996 4.6996 5.5837 5.5837 5.8044 5.8044 k = 0.0000 0.0289 0.0288 ( 8615 PWs) bands (ev): -16.1784 -16.1784 -16.1719 -16.1719 -16.1560 -16.1560 -16.1541 -16.1541 -13.6678 -13.6678 -13.6188 -13.6188 -13.6012 -13.6012 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1343 -11.1343 -10.0768 -10.0768 -5.5385 -5.5385 -4.3986 -4.3986 -1.5574 -1.5574 -1.0042 -1.0042 -0.4743 -0.4743 -0.1023 -0.1023 0.4953 0.4953 1.5603 1.5603 2.6771 2.6771 4.6971 4.6971 5.6031 5.6031 5.8076 5.8076 k = 0.0000 0.0000 0.0000 ( 8611 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5582 -1.5582 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5612 1.5612 2.6765 2.6765 4.6962 4.6962 5.6096 5.6096 5.8087 5.8087 k = 0.0000 0.0000 0.0000 ( 8611 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5582 -1.5582 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5612 1.5612 2.6765 2.6765 4.6962 4.6962 5.6096 5.6096 5.8087 5.8087 k = 0.0385 0.0067-0.0068 ( 8605 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5581 -1.5581 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5612 1.5612 2.6757 2.6757 4.6996 4.7019 5.6046 5.6103 5.8104 5.8108 k = 0.0769 0.0135-0.0136 ( 8591 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5581 -1.5581 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5611 1.5612 2.6732 2.6733 4.7120 4.7165 5.5956 5.6067 5.8156 5.8167 k = 0.1154 0.0202-0.0203 ( 8581 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5580 -1.5580 -1.0079 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5611 1.5611 2.6693 2.6694 4.7329 4.7397 5.5829 5.5990 5.8240 5.8263 k = 0.1538 0.0270-0.0271 ( 8579 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5579 -1.5579 -1.0079 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5610 1.5610 2.6642 2.6644 4.7618 4.7711 5.5668 5.5873 5.8353 5.8393 k = 0.1923 0.0337-0.0339 ( 8583 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5578 -1.5578 -1.0079 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5609 1.5609 2.6583 2.6584 4.7980 4.8098 5.5475 5.5719 5.8492 5.8553 k = 0.2308 0.0404-0.0407 ( 8571 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5577 -1.5577 -1.0079 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5608 1.5608 2.6519 2.6520 4.8407 4.8551 5.5250 5.5528 5.8658 5.8743 k = 0.2692 0.0472-0.0475 ( 8581 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5576 -1.5575 -1.0079 -1.0078 -0.4741 -0.4741 -0.1066 -0.1065 0.4946 0.4946 1.5607 1.5607 2.6454 2.6455 4.8887 4.9058 5.4992 5.5300 5.8850 5.8963 k = 0.3077 0.0539-0.0543 ( 8576 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5575 -1.5574 -1.0079 -1.0078 -0.4741 -0.4741 -0.1066 -0.1065 0.4946 0.4947 1.5606 1.5606 2.6391 2.6393 4.9407 4.9605 5.4702 5.5031 5.9071 5.9212 k = 0.3462 0.0606-0.0610 ( 8568 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5573 -1.5573 -1.0079 -1.0078 -0.4741 -0.4741 -0.1066 -0.1065 0.4946 0.4947 1.5605 1.5605 2.6335 2.6337 4.9952 5.0176 5.4379 5.4721 5.9324 5.9490 k = 0.3846 0.0674-0.0678 ( 8570 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3952 -4.3952 -1.5572 -1.5572 -1.0078 -1.0078 -0.4741 -0.4741 -0.1066 -0.1065 0.4946 0.4947 1.5604 1.5604 2.6289 2.6290 5.0503 5.0746 5.4031 5.4371 5.9609 5.9795 k = 0.4231 0.0741-0.0746 ( 8560 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3951 -4.3951 -1.5572 -1.5571 -1.0078 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4947 1.5603 1.5604 2.6253 2.6254 5.1035 5.1277 5.3679 5.3992 5.9921 6.0110 k = 0.4615 0.0809-0.0814 ( 8548 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3951 -4.3951 -1.5571 -1.5571 -1.0078 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4947 1.5603 1.5603 2.6232 2.6232 5.1497 5.1680 5.3398 5.3618 6.0233 6.0381 k = 0.5000 0.0876-0.0882 ( 8544 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3951 -4.3951 -1.5571 -1.5571 -1.0078 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4947 0.4947 1.5603 1.5603 2.6225 2.6225 5.1773 5.1773 5.3360 5.3360 6.0447 6.0447 k = 0.5000 0.0876-0.0882 ( 8544 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3951 -4.3951 -1.5571 -1.5571 -1.0078 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4947 0.4947 1.5603 1.5603 2.6225 2.6225 5.1773 5.1773 5.3360 5.3360 6.0447 6.0447 k = 0.5097 0.0600-0.0604 ( 8568 PWs) bands (ev): -16.1785 -16.1784 -16.1719 -16.1718 -16.1561 -16.1560 -16.1542 -16.1541 -13.6678 -13.6677 -13.6188 -13.6188 -13.6013 -13.6012 -13.5987 -13.5987 -13.5900 -13.5899 -13.5760 -13.5760 -11.1344 -11.1343 -10.0769 -10.0766 -5.5382 -5.5379 -4.3980 -4.3978 -1.5571 -1.5557 -1.0087 -1.0070 -0.4726 -0.4693 -0.1060 -0.1058 0.4957 0.5000 1.5595 1.5597 2.6223 2.6236 5.1706 5.1791 5.3247 5.3421 6.0266 6.0606 k = 0.5195 0.0324-0.0326 ( 8560 PWs) bands (ev): -16.1785 -16.1784 -16.1719 -16.1718 -16.1562 -16.1559 -16.1542 -16.1541 -13.6677 -13.6676 -13.6188 -13.6187 -13.6013 -13.6011 -13.5987 -13.5986 -13.5901 -13.5899 -13.5761 -13.5761 -11.1318 -11.1316 -10.0760 -10.0755 -5.5442 -5.5437 -4.4062 -4.4060 -1.5558 -1.5530 -1.0099 -1.0066 -0.4647 -0.4582 -0.1044 -0.1041 0.5035 0.5120 1.5573 1.5577 2.6231 2.6258 5.1587 5.1750 5.3087 5.3428 6.0064 6.0727 k = 0.5292 0.0048-0.0048 ( 8556 PWs) bands (ev): -16.1784 -16.1783 -16.1719 -16.1717 -16.1563 -16.1557 -16.1543 -16.1541 -13.6675 -13.6673 -13.6187 -13.6186 -13.6013 -13.6010 -13.5986 -13.5985 -13.5902 -13.5900 -13.5763 -13.5763 -11.1275 -11.1271 -10.0745 -10.0737 -5.5540 -5.5532 -4.4198 -4.4194 -1.5531 -1.5488 -1.0119 -1.0073 -0.4498 -0.4404 -0.1026 -0.1018 0.5183 0.5309 1.5537 1.5544 2.6249 2.6290 5.1403 5.1621 5.2898 5.3382 5.9837 6.0762 k = 0.5389-0.0228 0.0230 ( 8550 PWs) bands (ev): -16.1784 -16.1782 -16.1719 -16.1716 -16.1564 -16.1556 -16.1543 -16.1540 -13.6672 -13.6669 -13.6186 -13.6184 -13.6013 -13.6008 -13.5985 -13.5984 -13.5904 -13.5901 -13.5765 -13.5765 -11.1214 -11.1209 -10.0724 -10.0713 -5.5674 -5.5664 -4.4385 -4.4380 -1.5489 -1.5432 -1.0153 -1.0098 -0.4271 -0.4152 -0.1016 -0.1001 0.5408 0.5572 1.5486 1.5496 2.6278 2.6333 5.1134 5.1359 5.2712 5.3284 5.9576 6.0631 k = 0.5487-0.0505 0.0508 ( 8530 PWs) bands (ev): -16.1783 -16.1781 -16.1719 -16.1715 -16.1565 -16.1555 -16.1543 -16.1540 -13.6668 -13.6664 -13.6185 -13.6183 -13.6012 -13.6006 -13.5984 -13.5982 -13.5906 -13.5903 -13.5768 -13.5768 -11.1135 -11.1129 -10.0695 -10.0682 -5.5841 -5.5828 -4.4620 -4.4613 -1.5432 -1.5361 -1.0210 -1.0150 -0.3961 -0.3822 -0.1024 -0.0998 0.5714 0.5912 1.5420 1.5433 2.6318 2.6388 5.0750 5.0923 5.2554 5.3140 5.9263 6.0397 k = 0.5584-0.0781 0.0786 ( 8542 PWs) bands (ev): -16.1782 -16.1779 -16.1719 -16.1715 -16.1565 -16.1554 -16.1544 -16.1540 -13.6663 -13.6659 -13.6183 -13.6181 -13.6012 -13.6004 -13.5983 -13.5980 -13.5908 -13.5905 -13.5771 -13.5771 -11.1039 -11.1032 -10.0661 -10.0645 -5.6037 -5.6023 -4.4898 -4.4890 -1.5358 -1.5274 -1.0297 -1.0237 -0.3563 -0.3408 -0.1062 -0.1020 0.6103 0.6332 1.5339 1.5356 2.6370 2.6455 5.0224 5.0306 5.2417 5.2950 5.8884 6.0162 k = 0.5682-0.1057 0.1064 ( 8544 PWs) bands (ev): -16.1781 -16.1777 -16.1718 -16.1714 -16.1566 -16.1553 -16.1544 -16.1540 -13.6658 -13.6653 -13.6181 -13.6178 -13.6011 -13.6002 -13.5983 -13.5977 -13.5910 -13.5908 -13.5776 -13.5776 -11.0926 -11.0918 -10.0621 -10.0602 -5.6260 -5.6243 -4.5217 -4.5208 -1.5269 -1.5170 -1.0419 -1.0362 -0.3075 -0.2909 -0.1136 -0.1073 0.6573 0.6829 1.5244 1.5264 2.6434 2.6535 4.9524 4.9537 5.2275 5.2714 5.8431 5.9947 k = 0.5779-0.1333 0.1342 ( 8544 PWs) bands (ev): -16.1779 -16.1776 -16.1718 -16.1712 -16.1567 -16.1552 -16.1545 -16.1540 -13.6651 -13.6646 -13.6179 -13.6176 -13.6010 -13.6000 -13.5982 -13.5974 -13.5912 -13.5911 -13.5780 -13.5780 -11.0796 -11.0786 -10.0574 -10.0554 -5.6506 -5.6486 -4.5571 -4.5560 -1.5163 -1.5049 -1.0576 -1.0526 -0.2503 -0.2326 -0.1250 -0.1159 0.7116 0.7396 1.5133 1.5159 2.6509 2.6627 4.8605 4.8689 5.2097 5.2417 5.7916 5.9411 k = 0.5876-0.1609 0.1619 ( 8552 PWs) bands (ev): -16.1778 -16.1774 -16.1717 -16.1711 -16.1568 -16.1551 -16.1545 -16.1540 -13.6644 -13.6639 -13.6176 -13.6173 -13.6009 -13.5997 -13.5982 -13.5971 -13.5915 -13.5914 -13.5786 -13.5785 -11.0648 -11.0638 -10.0522 -10.0500 -5.6769 -5.6747 -4.5956 -4.5944 -1.5042 -1.4912 -1.0770 -1.0726 -0.1867 -0.1665 -0.1405 -0.1263 0.7719 0.8022 1.5009 1.5041 2.6597 2.6733 4.7577 4.7701 5.1845 5.2031 5.7367 5.8640 k = 0.5974-0.1885 0.1897 ( 8558 PWs) bands (ev): -16.1776 -16.1771 -16.1716 -16.1710 -16.1568 -16.1550 -16.1546 -16.1540 -13.6636 -13.6631 -13.6173 -13.6171 -13.6008 -13.5995 -13.5983 -13.5968 -13.5918 -13.5915 -13.5791 -13.5791 -11.0483 -11.0472 -10.0465 -10.0440 -5.7045 -5.7021 -4.6366 -4.6353 -1.4908 -1.4759 -1.0995 -1.0959 -0.1603 -0.1534 -0.1027 -0.0927 0.8364 0.8688 1.4874 1.4914 2.6694 2.6850 4.6476 4.6609 5.1474 5.1517 5.6822 5.7813 k = 0.6071-0.2161 0.2175 ( 8566 PWs) bands (ev): -16.1775 -16.1769 -16.1716 -16.1709 -16.1569 -16.1549 -16.1546 -16.1540 -13.6628 -13.6622 -13.6171 -13.6169 -13.6008 -13.5995 -13.5982 -13.5965 -13.5922 -13.5916 -13.5797 -13.5797 -11.0302 -11.0290 -10.0402 -10.0376 -5.7331 -5.7305 -4.6798 -4.6783 -1.4764 -1.4594 -1.1246 -1.1216 -0.1837 -0.1699 -0.0262 -0.0127 0.9028 0.9372 1.4731 1.4779 2.6800 2.6977 4.5338 4.5457 5.0837 5.0930 5.6322 5.7016 k = 0.6168-0.2437 0.2453 ( 8564 PWs) bands (ev): -16.1773 -16.1766 -16.1715 -16.1708 -16.1570 -16.1548 -16.1547 -16.1540 -13.6619 -13.6614 -13.6168 -13.6166 -13.6007 -13.5997 -13.5980 -13.5963 -13.5925 -13.5916 -13.5804 -13.5803 -11.0104 -11.0092 -10.0335 -10.0307 -5.7622 -5.7594 -4.7246 -4.7229 -1.4617 -1.4422 -1.1515 -1.1486 -0.2105 -0.1927 0.0590 0.0728 0.9683 1.0047 1.4584 1.4643 2.6912 2.7113 4.4200 4.4294 4.9970 5.0168 5.5899 5.6327 k = 0.6266-0.2713 0.2731 ( 8570 PWs) bands (ev): -16.1771 -16.1764 -16.1714 -16.1707 -16.1570 -16.1548 -16.1547 -16.1540 -13.6610 -13.6605 -13.6165 -13.6164 -13.6007 -13.6001 -13.5977 -13.5963 -13.5926 -13.5915 -13.5811 -13.5809 -10.9891 -10.9878 -10.0263 -10.0234 -5.7913 -5.7883 -4.7705 -4.7687 -1.4480 -1.4254 -1.1787 -1.1754 -0.2404 -0.2189 0.1492 0.1626 1.0296 1.0677 1.4442 1.4512 2.7031 2.7258 4.3101 4.3164 4.8925 4.9176 5.5561 5.5785 k = 0.6363-0.2989 0.3009 ( 8578 PWs) bands (ev): -16.1769 -16.1761 -16.1713 -16.1705 -16.1571 -16.1548 -16.1546 -16.1540 -13.6600 -13.6596 -13.6163 -13.6162 -13.6007 -13.6007 -13.5974 -13.5965 -13.5926 -13.5913 -13.5817 -13.5815 -10.9661 -10.9648 -10.0188 -10.0157 -5.8201 -5.8169 -4.8173 -4.8153 -1.4374 -1.4110 -1.2038 -1.1995 -0.2731 -0.2479 0.2426 0.2556 1.0830 1.1221 1.4310 1.4390 2.7159 2.7412 4.2080 4.2113 4.7735 4.7995 5.5297 5.5385 k = 0.6461-0.3266 0.3287 ( 8584 PWs) bands (ev): -16.1766 -16.1758 -16.1712 -16.1704 -16.1572 -16.1549 -16.1546 -16.1541 -13.6591 -13.6587 -13.6162 -13.6160 -13.6015 -13.6008 -13.5970 -13.5970 -13.5923 -13.5912 -13.5824 -13.5821 -10.9416 -10.9402 -10.0108 -10.0076 -5.8482 -5.8448 -4.8644 -4.8623 -1.4334 -1.4032 -1.2226 -1.2172 -0.3081 -0.2791 0.3379 0.3501 1.1248 1.1638 1.4191 1.4275 2.7304 2.7581 4.1166 4.1178 4.6451 4.6692 5.5088 5.5092 k = 0.6558-0.3542 0.3565 ( 8596 PWs) bands (ev): -16.1764 -16.1755 -16.1711 -16.1703 -16.1573 -16.1550 -16.1545 -16.1541 -13.6581 -13.6579 -13.6162 -13.6158 -13.6023 -13.6009 -13.5975 -13.5965 -13.5919 -13.5910 -13.5829 -13.5827 -10.9156 -10.9142 -10.0026 -9.9993 -5.8753 -5.8717 -4.9115 -4.9093 -1.4397 -1.4071 -1.2293 -1.2243 -0.3452 -0.3122 0.4332 0.4444 1.1530 1.1904 1.4064 1.4150 2.7479 2.7776 4.0379 4.0384 4.5132 4.5348 5.4873 5.4916 k = 0.6655-0.3818 0.3843 ( 8596 PWs) bands (ev): -16.1762 -16.1752 -16.1710 -16.1702 -16.1573 -16.1551 -16.1544 -16.1542 -13.6571 -13.6570 -13.6164 -13.6157 -13.6031 -13.6012 -13.5982 -13.5961 -13.5913 -13.5909 -13.5834 -13.5832 -10.8882 -10.8867 -9.9941 -9.9907 -5.9009 -5.8972 -4.9583 -4.9559 -1.4582 -1.4251 -1.2215 -1.2190 -0.3841 -0.3469 0.5263 0.5361 1.1681 1.2026 1.3880 1.3974 2.7705 2.8010 3.9711 3.9729 4.3852 4.4056 5.4698 5.4767 k = 0.6753-0.4094 0.4120 ( 8606 PWs) bands (ev): -16.1760 -16.1749 -16.1709 -16.1701 -16.1574 -16.1552 -16.1544 -16.1542 -13.6562 -13.6562 -13.6167 -13.6156 -13.6040 -13.6017 -13.5988 -13.5958 -13.5908 -13.5907 -13.5837 -13.5837 -10.8593 -10.8579 -9.9854 -9.9820 -5.9248 -5.9210 -5.0044 -5.0018 -1.4867 -1.4543 -1.2032 -1.2019 -0.4244 -0.3828 0.6144 0.6224 1.1726 1.2047 1.3571 1.3698 2.7999 2.8295 3.9110 3.9164 4.2722 4.2940 5.4548 5.4631 k = 0.6850-0.4370 0.4398 ( 8606 PWs) bands (ev): -16.1758 -16.1746 -16.1708 -16.1701 -16.1575 -16.1554 -16.1544 -16.1543 -13.6555 -13.6552 -13.6171 -13.6157 -13.6048 -13.6023 -13.5994 -13.5955 -13.5908 -13.5901 -13.5840 -13.5838 -10.8292 -10.8278 -9.9766 -9.9731 -5.9468 -5.9429 -5.0495 -5.0468 -1.5220 -1.4902 -1.1799 -1.1749 -0.4661 -0.4195 0.6941 0.6993 1.1692 1.2008 1.3091 1.3296 2.8366 2.8626 3.8486 3.8587 4.1897 4.2153 5.4413 5.4501 k = 0.6947-0.4646 0.4676 ( 8608 PWs) bands (ev): -16.1756 -16.1742 -16.1707 -16.1700 -16.1576 -16.1555 -16.1544 -16.1543 -13.6548 -13.6544 -13.6178 -13.6159 -13.6055 -13.6029 -13.6000 -13.5953 -13.5909 -13.5894 -13.5842 -13.5837 -10.7978 -10.7964 -9.9676 -9.9641 -5.9665 -5.9625 -5.0934 -5.0906 -1.5617 -1.5301 -1.1518 -1.1430 -0.5087 -0.4567 0.7608 0.7619 1.1542 1.1873 1.2502 1.2832 2.8781 2.8973 3.7800 3.7914 4.1513 4.1800 5.4284 5.4373 k = 0.7045-0.4922 0.4954 ( 8626 PWs) bands (ev): -16.1754 -16.1739 -16.1705 -16.1700 -16.1577 -16.1557 -16.1545 -16.1543 -13.6542 -13.6535 -13.6188 -13.6163 -13.6062 -13.6036 -13.6007 -13.5954 -13.5908 -13.5887 -13.5843 -13.5835 -10.7653 -10.7638 -9.9586 -9.9551 -5.9838 -5.9797 -5.1359 -5.1329 -1.6040 -1.5722 -1.1205 -1.1080 -0.5520 -0.4940 0.8052 0.8099 1.1088 1.1239 1.2252 1.2537 2.9188 2.9270 3.7161 3.7227 4.1557 4.1855 5.4159 5.4248 k = 0.7142-0.5198 0.5232 ( 8626 PWs) bands (ev): -16.1752 -16.1736 -16.1704 -16.1699 -16.1578 -16.1558 -16.1546 -16.1543 -13.6537 -13.6528 -13.6199 -13.6170 -13.6067 -13.6043 -13.6013 -13.5958 -13.5906 -13.5879 -13.5842 -13.5830 -10.7316 -10.7302 -9.9496 -9.9461 -5.9984 -5.9943 -5.1766 -5.1735 -1.6479 -1.6157 -1.0873 -1.0707 -0.5957 -0.5307 0.8257 0.8386 1.0177 1.0259 1.2302 1.2519 2.9429 2.9501 3.6719 3.6756 4.1920 4.2220 5.4038 5.4126 k = 0.7239-0.5474 0.5510 ( 8638 PWs) bands (ev): -16.1750 -16.1733 -16.1703 -16.1699 -16.1579 -16.1560 -16.1548 -16.1543 -13.6533 -13.6521 -13.6213 -13.6178 -13.6072 -13.6048 -13.6020 -13.5963 -13.5902 -13.5872 -13.5840 -13.5825 -10.6970 -10.6956 -9.9407 -9.9372 -6.0102 -6.0061 -5.2154 -5.2122 -1.6927 -1.6599 -1.0534 -1.0320 -0.6396 -0.5663 0.8172 0.8473 0.8934 0.9284 1.2403 1.2606 2.9400 2.9644 3.6551 3.6722 4.2514 4.2814 5.3925 5.4013 k = 0.7337-0.5750 0.5788 ( 8642 PWs) bands (ev): -16.1749 -16.1730 -16.1702 -16.1699 -16.1581 -16.1562 -16.1549 -16.1544 -13.6530 -13.6516 -13.6228 -13.6190 -13.6076 -13.6053 -13.6027 -13.5970 -13.5897 -13.5865 -13.5837 -13.5819 -10.6615 -10.6602 -9.9319 -9.9284 -6.0191 -6.0150 -5.2522 -5.2488 -1.7379 -1.7043 -1.0199 -0.9927 -0.6829 -0.5998 0.7478 0.7534 0.8443 0.8631 1.2446 1.2643 2.9229 2.9621 3.6781 3.7073 4.3279 4.3581 5.3827 5.3915 k = 0.7434-0.6027 0.6066 ( 8642 PWs) bands (ev): -16.1747 -16.1726 -16.1701 -16.1700 -16.1582 -16.1565 -16.1550 -16.1544 -13.6528 -13.6511 -13.6245 -13.6204 -13.6080 -13.6057 -13.6034 -13.5977 -13.5891 -13.5858 -13.5833 -13.5813 -10.6253 -10.6239 -9.9232 -9.9198 -6.0249 -6.0209 -5.2867 -5.2832 -1.7832 -1.7488 -0.9886 -0.9543 -0.7247 -0.6297 0.6070 0.6241 0.8286 0.8327 1.2344 1.2527 2.9039 2.9530 3.7348 3.7729 4.4170 4.4477 5.3753 5.3844 k = 0.7532-0.6303 0.6344 ( 8640 PWs) bands (ev): -16.1746 -16.1723 -16.1700 -16.1699 -16.1583 -16.1567 -16.1552 -16.1544 -13.6527 -13.6508 -13.6263 -13.6220 -13.6084 -13.6060 -13.6040 -13.5984 -13.5884 -13.5851 -13.5827 -13.5806 -10.5884 -10.5870 -9.9147 -9.9114 -6.0276 -6.0236 -5.3188 -5.3153 -1.8283 -1.7929 -0.9620 -0.9204 -0.7615 -0.6537 0.4541 0.4846 0.8058 0.8067 1.2038 1.2196 2.8950 2.9493 3.8149 3.8591 4.5150 4.5462 5.3722 5.3816 k = 0.7629-0.6579 0.6622 ( 8640 PWs) bands (ev): -16.1745 -16.1720 -16.1701 -16.1698 -16.1584 -16.1570 -16.1553 -16.1545 -13.6528 -13.6507 -13.6282 -13.6238 -13.6089 -13.6064 -13.6045 -13.5990 -13.5877 -13.5845 -13.5821 -13.5798 -10.5510 -10.5497 -9.9065 -9.9033 -6.0270 -6.0232 -5.3485 -5.3448 -1.8728 -1.8366 -0.9436 -0.9019 -0.7830 -0.6686 0.2972 0.3392 0.7773 0.7806 1.1505 1.1627 2.9029 2.9591 3.9095 3.9582 4.6178 4.6496 5.3758 5.3856 k = 0.7726-0.6855 0.6899 ( 8644 PWs) bands (ev): -16.1744 -16.1717 -16.1702 -16.1697 -16.1586 -16.1572 -16.1555 -16.1545 -13.6530 -13.6508 -13.6301 -13.6257 -13.6094 -13.6069 -13.6048 -13.5996 -13.5870 -13.5838 -13.5814 -13.5791 -10.5132 -10.5119 -9.8986 -9.8955 -6.0233 -6.0195 -5.3755 -5.3717 -1.9166 -1.8795 -0.9368 -0.9146 -0.7741 -0.6716 0.1385 0.1917 0.7471 0.7520 1.0755 1.0835 2.9294 2.9855 4.0123 4.0648 4.7210 4.7528 5.3899 5.3996 k = 0.7824-0.7131 0.7177 ( 8636 PWs) bands (ev): -16.1743 -16.1715 -16.1703 -16.1695 -16.1587 -16.1575 -16.1556 -16.1546 -13.6533 -13.6510 -13.6320 -13.6277 -13.6099 -13.6074 -13.6049 -13.6000 -13.5863 -13.5832 -13.5807 -13.5784 -10.4751 -10.4739 -9.8910 -9.8880 -6.0163 -6.0127 -5.3998 -5.3960 -1.9596 -1.9215 -0.9496 -0.9427 -0.7448 -0.6623 -0.0199 0.0450 0.7154 0.7218 0.9820 0.9861 2.9728 3.0277 4.1186 4.1747 4.8195 4.8503 5.4195 5.4283 k = 0.7921-0.7407 0.7455 ( 8628 PWs) bands (ev): -16.1743 -16.1712 -16.1704 -16.1694 -16.1589 -16.1578 -16.1558 -16.1546 -13.6538 -13.6514 -13.6339 -13.6299 -13.6105 -13.6079 -13.6049 -13.6004 -13.5855 -13.5825 -13.5800 -13.5777 -10.4370 -10.4358 -9.8837 -9.8809 -6.0062 -6.0028 -5.4213 -5.4174 -2.0015 -1.9625 -0.9932 -0.9588 -0.7105 -0.6453 -0.1751 -0.0978 0.6818 0.6903 0.8745 0.8759 3.0299 3.0833 4.2246 4.2841 4.9084 4.9365 5.4698 5.4760 k = 0.8018-0.7683 0.7733 ( 8628 PWs) bands (ev): -16.1742 -16.1710 -16.1705 -16.1692 -16.1591 -16.1582 -16.1559 -16.1547 -13.6544 -13.6520 -13.6358 -13.6321 -13.6110 -13.6084 -13.6049 -13.6006 -13.5847 -13.5819 -13.5792 -13.5770 -10.3990 -10.3979 -9.8768 -9.8742 -5.9931 -5.9899 -5.4399 -5.4361 -2.0422 -2.0022 -1.0414 -0.9816 -0.6794 -0.6303 -0.3203 -0.2322 0.6433 0.6566 0.7587 0.7608 3.0974 3.1492 4.3262 4.3892 4.9857 5.0095 5.5433 5.5453 k = 0.8116-0.7959 0.8011 ( 8632 PWs) bands (ev): -16.1742 -16.1709 -16.1705 -16.1691 -16.1593 -16.1585 -16.1560 -16.1547 -13.6551 -13.6529 -13.6377 -13.6344 -13.6115 -13.6089 -13.6048 -13.6009 -13.5840 -13.5812 -13.5785 -13.5763 -10.3612 -10.3601 -9.8704 -9.8678 -5.9769 -5.9740 -5.4557 -5.4519 -2.0815 -2.0407 -1.0936 -1.0080 -0.6610 -0.6442 -0.4313 -0.3487 0.5809 0.6056 0.6543 0.6642 3.1723 3.2228 4.4194 4.4853 5.0542 5.0735 5.6341 5.6369 k = 0.8213-0.8235 0.8289 ( 8634 PWs) bands (ev): -16.1742 -16.1710 -16.1703 -16.1690 -16.1595 -16.1588 -16.1561 -16.1548 -13.6559 -13.6539 -13.6396 -13.6367 -13.6120 -13.6093 -13.6047 -13.6010 -13.5832 -13.5806 -13.5777 -13.5756 -10.3239 -10.3228 -9.8643 -9.8619 -5.9580 -5.9553 -5.4687 -5.4649 -2.1193 -2.0777 -1.1505 -1.0362 -0.7306 -0.6758 -0.4665 -0.4261 0.4722 0.4946 0.6076 0.6126 3.2523 3.3017 4.4999 4.5676 5.1203 5.1367 5.7367 5.7438 k = 0.8311-0.8511 0.8567 ( 8634 PWs) bands (ev): -16.1742 -16.1712 -16.1701 -16.1688 -16.1597 -16.1592 -16.1562 -16.1549 -13.6568 -13.6550 -13.6414 -13.6390 -13.6124 -13.6096 -13.6046 -13.6011 -13.5825 -13.5800 -13.5770 -13.5749 -10.2871 -10.2861 -9.8586 -9.8564 -5.9364 -5.9340 -5.4787 -5.4750 -2.1556 -2.1132 -1.2140 -1.0650 -0.8619 -0.7375 -0.4552 -0.4497 0.3492 0.3704 0.5756 0.5777 3.3356 3.3841 4.5645 4.6323 5.1904 5.2064 5.8463 5.8567 k = 0.8408-0.8788 0.8845 ( 8632 PWs) bands (ev): -16.1742 -16.1714 -16.1699 -16.1687 -16.1600 -16.1596 -16.1563 -16.1549 -13.6577 -13.6563 -13.6432 -13.6414 -13.6127 -13.6099 -13.6045 -13.6012 -13.5818 -13.5794 -13.5763 -13.5743 -10.2512 -10.2502 -9.8534 -9.8513 -5.9125 -5.9103 -5.4860 -5.4823 -2.1901 -2.1471 -1.2858 -1.0937 -1.0031 -0.8215 -0.4443 -0.4349 0.2289 0.2494 0.5462 0.5471 3.4208 3.4688 4.6123 4.6788 5.2678 5.2857 5.9567 5.9688 k = 0.8505-0.9064 0.9123 ( 8624 PWs) bands (ev): -16.1743 -16.1716 -16.1697 -16.1685 -16.1602 -16.1599 -16.1563 -16.1550 -13.6587 -13.6576 -13.6450 -13.6437 -13.6129 -13.6102 -13.6043 -13.6012 -13.5811 -13.5788 -13.5756 -13.5737 -10.2161 -10.2152 -9.8486 -9.8467 -5.8865 -5.8846 -5.4905 -5.4870 -2.2228 -2.1793 -1.3672 -1.1461 -1.1201 -0.9039 -0.4364 -0.4193 0.1194 0.1384 0.5184 0.5186 3.5068 3.5545 4.6451 4.7093 5.3517 5.3733 6.0624 6.0748 k = 0.8603-0.9340 0.9401 ( 8618 PWs) bands (ev): -16.1743 -16.1718 -16.1695 -16.1684 -16.1605 -16.1603 -16.1564 -16.1550 -13.6598 -13.6590 -13.6468 -13.6460 -13.6131 -13.6103 -13.6042 -13.6013 -13.5804 -13.5783 -13.5749 -13.5731 -10.1822 -10.1813 -9.8442 -9.8424 -5.8586 -5.8570 -5.4925 -5.4890 -2.2536 -2.2097 -1.4578 -1.2837 -1.1480 -0.9763 -0.4422 -0.4190 0.0303 0.0462 0.4919 0.4919 3.5927 3.6404 4.6660 4.7278 5.4395 5.4653 6.1584 6.1698 k = 0.8700-0.9616 0.9678 ( 8624 PWs) bands (ev): -16.1744 -16.1721 -16.1693 -16.1683 -16.1608 -16.1606 -16.1564 -16.1551 -13.6608 -13.6604 -13.6486 -13.6482 -13.6131 -13.6105 -13.6040 -13.6013 -13.5797 -13.5777 -13.5743 -13.5726 -10.1497 -10.1488 -9.8402 -9.8386 -5.8293 -5.8280 -5.4919 -5.4886 -2.2823 -2.2383 -1.5552 -1.4177 -1.1737 -1.0375 -0.4739 -0.4450 -0.0280 -0.0163 0.4668 0.4669 3.6778 3.7257 4.6782 4.7380 5.5276 5.5573 6.2402 6.2497 k = 0.8797-0.9892 0.9956 ( 8620 PWs) bands (ev): -16.1744 -16.1723 -16.1691 -16.1682 -16.1611 -16.1610 -16.1564 -16.1552 -13.6618 -13.6617 -13.6504 -13.6504 -13.6131 -13.6106 -13.6039 -13.6013 -13.5791 -13.5772 -13.5736 -13.5721 -10.1186 -10.1178 -9.8365 -9.8351 -5.7990 -5.7980 -5.4891 -5.4859 -2.3090 -2.2650 -1.6562 -1.5463 -1.1980 -1.0888 -0.5347 -0.5017 -0.0528 -0.0445 0.4432 0.4433 3.7614 3.8097 4.6844 4.7429 5.6128 5.6458 6.3030 6.3106 k = 0.8895-1.0168 1.0234 ( 8614 PWs) bands (ev): -16.1744 -16.1725 -16.1689 -16.1681 -16.1613 -16.1613 -16.1564 -16.1552 -13.6630 -13.6627 -13.6526 -13.6521 -13.6131 -13.6106 -13.6037 -13.6014 -13.5785 -13.5768 -13.5731 -13.5716 -10.0892 -10.0885 -9.8333 -9.8320 -5.7680 -5.7673 -5.4843 -5.4813 -2.3334 -2.2898 -1.7577 -1.6688 -1.2206 -1.1321 -0.6160 -0.5809 -0.0525 -0.0461 0.4213 0.4213 3.8430 3.8919 4.6865 4.7442 5.6929 5.7279 6.3432 6.3491 k = 0.8992-1.0444 1.0512 ( 8622 PWs) bands (ev): -16.1745 -16.1727 -16.1688 -16.1680 -16.1616 -16.1616 -16.1564 -16.1553 -13.6642 -13.6636 -13.6546 -13.6538 -13.6130 -13.6107 -13.6036 -13.6014 -13.5779 -13.5763 -13.5725 -13.5712 -10.0616 -10.0610 -9.8304 -9.8293 -5.7369 -5.7364 -5.4777 -5.4749 -2.3555 -2.3127 -1.8570 -1.7843 -1.2415 -1.1692 -0.7063 -0.6709 -0.0382 -0.0327 0.4010 0.4011 3.9220 3.9716 4.6859 4.7434 5.7664 5.8020 6.3611 6.3659 k = 0.9089-1.0720 1.0790 ( 8622 PWs) bands (ev): -16.1745 -16.1729 -16.1686 -16.1679 -16.1619 -16.1619 -16.1563 -16.1553 -13.6653 -13.6644 -13.6565 -13.6554 -13.6129 -13.6107 -13.6034 -13.6014 -13.5773 -13.5759 -13.5720 -13.5708 -10.0361 -10.0354 -9.8279 -9.8269 -5.7062 -5.7059 -5.4696 -5.4671 -2.3753 -2.3337 -1.9522 -1.8923 -1.2607 -1.2013 -0.7980 -0.7632 -0.0172 -0.0122 0.3823 0.3825 3.9977 4.0482 4.6835 4.7410 5.8326 5.8669 6.3627 6.3696 k = 0.9187-1.0996 1.1068 ( 8624 PWs) bands (ev): -16.1745 -16.1731 -16.1685 -16.1678 -16.1622 -16.1621 -16.1563 -16.1554 -13.6663 -13.6651 -13.6584 -13.6570 -13.6128 -13.6108 -13.6033 -13.6015 -13.5768 -13.5756 -13.5716 -13.5705 -10.0126 -10.0121 -9.8256 -9.8248 -5.6763 -5.6763 -5.4606 -5.4583 -2.3926 -2.3528 -2.0414 -1.9921 -1.2779 -1.2292 -0.8865 -0.8530 0.0063 0.0109 0.3654 0.3658 4.0698 4.1211 4.6798 4.7375 5.8917 5.9223 6.3542 6.3690 k = 0.9284-1.1272 1.1346 ( 8652 PWs) bands (ev): -16.1746 -16.1733 -16.1684 -16.1678 -16.1625 -16.1624 -16.1563 -16.1555 -13.6672 -13.6657 -13.6601 -13.6585 -13.6126 -13.6108 -13.6031 -13.6015 -13.5764 -13.5753 -13.5712 -13.5702 -9.9915 -9.9910 -9.8237 -9.8230 -5.6481 -5.6480 -5.4509 -5.4489 -2.4075 -2.3701 -2.1236 -2.0830 -1.2932 -1.2534 -0.9690 -0.9374 0.0300 0.0342 0.3503 0.3508 4.1375 4.1895 4.6751 4.7329 5.9442 5.9687 6.3392 6.3684 k = 0.9382-1.1549 1.1624 ( 8640 PWs) bands (ev): -16.1746 -16.1735 -16.1683 -16.1677 -16.1627 -16.1626 -16.1562 -16.1555 -13.6679 -13.6662 -13.6617 -13.6599 -13.6125 -13.6109 -13.6030 -13.6016 -13.5760 -13.5750 -13.5708 -13.5699 -9.9727 -9.9723 -9.8221 -9.8215 -5.6220 -5.6217 -5.4411 -5.4393 -2.4198 -2.3855 -2.1974 -2.1643 -1.3065 -1.2745 -1.0435 -1.0147 0.0525 0.0563 0.3371 0.3377 4.2004 4.2526 4.6696 4.7272 5.9910 6.0068 6.3197 6.3699 k = 0.9479-1.1825 1.1902 ( 8640 PWs) bands (ev): -16.1746 -16.1737 -16.1682 -16.1677 -16.1629 -16.1628 -16.1562 -16.1556 -13.6684 -13.6666 -13.6632 -13.6612 -13.6123 -13.6109 -13.6028 -13.6016 -13.5756 -13.5748 -13.5704 -13.5697 -9.9565 -9.9562 -9.8207 -9.8202 -5.5983 -5.5980 -5.4315 -5.4300 -2.4297 -2.3993 -2.2619 -2.2355 -1.3178 -1.2927 -1.1086 -1.0833 0.0728 0.0763 0.3258 0.3265 4.2580 4.3097 4.6637 4.7203 6.0333 6.0379 6.2975 6.3738 k = 0.9576-1.2101 1.2179 ( 8656 PWs) bands (ev): -16.1746 -16.1739 -16.1681 -16.1677 -16.1630 -16.1629 -16.1561 -16.1556 -13.6688 -13.6668 -13.6645 -13.6624 -13.6121 -13.6110 -13.6027 -13.6017 -13.5753 -13.5746 -13.5702 -13.5696 -9.9429 -9.9426 -9.8196 -9.8192 -5.5778 -5.5774 -5.4227 -5.4215 -2.4372 -2.4115 -2.3162 -2.2958 -1.3271 -1.3082 -1.1633 -1.1422 0.0905 0.0935 0.3164 0.3171 4.3097 4.3595 4.6577 4.7118 6.0635 6.0717 6.2741 6.3771 k = 0.9674-1.2377 1.2457 ( 8648 PWs) bands (ev): -16.1745 -16.1740 -16.1680 -16.1677 -16.1632 -16.1631 -16.1561 -16.1557 -13.6689 -13.6669 -13.6656 -13.6634 -13.6119 -13.6111 -13.6026 -13.6018 -13.5750 -13.5745 -13.5699 -13.5695 -9.9320 -9.9318 -9.8187 -9.8184 -5.5608 -5.5605 -5.4151 -5.4141 -2.4424 -2.4222 -2.3595 -2.3447 -1.3344 -1.3211 -1.2066 -1.1904 0.1051 0.1075 0.3090 0.3097 4.3549 4.4005 4.6526 4.7016 6.0854 6.1066 6.2517 6.3605 k = 0.9771-1.2653 1.2735 ( 8650 PWs) bands (ev): -16.1745 -16.1741 -16.1679 -16.1677 -16.1633 -16.1632 -16.1560 -16.1557 -13.6690 -13.6668 -13.6666 -13.6643 -13.6118 -13.6112 -13.6024 -13.6019 -13.5748 -13.5744 -13.5697 -13.5694 -9.9239 -9.9237 -9.8181 -9.8179 -5.5479 -5.5476 -5.4091 -5.4084 -2.4454 -2.4315 -2.3910 -2.3817 -1.3397 -1.3314 -1.2382 -1.2271 0.1162 0.1180 0.3036 0.3041 4.3930 4.4306 4.6498 4.6899 6.1048 6.1359 6.2340 6.3297 k = 0.9868-1.2929 1.3013 ( 8650 PWs) bands (ev): -16.1745 -16.1742 -16.1679 -16.1677 -16.1633 -16.1633 -16.1560 -16.1558 -13.6688 -13.6675 -13.6665 -13.6651 -13.6116 -13.6113 -13.6023 -13.6020 -13.5746 -13.5744 -13.5696 -13.5694 -9.9186 -9.9185 -9.8176 -9.8175 -5.5392 -5.5391 -5.4049 -5.4045 -2.4466 -2.4394 -2.4105 -2.4061 -1.3430 -1.3388 -1.2579 -1.2518 0.1236 0.1247 0.3001 0.3005 4.4228 4.4474 4.6512 4.6772 6.1228 6.1523 6.2298 6.2973 k = 0.9966-1.3205 1.3291 ( 8628 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6685 -13.6681 -13.6661 -13.6658 -13.6115 -13.6114 -13.6022 -13.6021 -13.5745 -13.5744 -13.5694 -13.5694 -9.9161 -9.9161 -9.8174 -9.8174 -5.5352 -5.5352 -5.4029 -5.4028 -2.4462 -2.4446 -2.4185 -2.4176 -1.3440 -1.3430 -1.2657 -1.2642 0.1273 0.1276 0.2986 0.2987 4.4427 4.4496 4.6578 4.6650 6.1394 6.1488 6.2466 6.2660 k = 0.9966-1.3205 1.3291 ( 8628 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6685 -13.6681 -13.6661 -13.6658 -13.6115 -13.6114 -13.6022 -13.6021 -13.5745 -13.5744 -13.5694 -13.5694 -9.9161 -9.9161 -9.8174 -9.8174 -5.5352 -5.5352 -5.4029 -5.4028 -2.4462 -2.4446 -2.4185 -2.4176 -1.3440 -1.3430 -1.2657 -1.2642 0.1273 0.1276 0.2986 0.2987 4.4427 4.4496 4.6578 4.6650 6.1394 6.1488 6.2466 6.2660 k = 0.9706-1.3302 1.3389 ( 8633 PWs) bands (ev): -16.1744 -16.1743 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6684 -13.6682 -13.6661 -13.6659 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5744 -13.5694 -13.5694 -9.9160 -9.9160 -9.8174 -9.8174 -5.5350 -5.5350 -5.4027 -5.4027 -2.4460 -2.4451 -2.4188 -2.4184 -1.3439 -1.3434 -1.2659 -1.2652 0.1276 0.1277 0.2985 0.2986 4.4451 4.4486 4.6593 4.6630 6.1418 6.1466 6.2512 6.2610 k = 0.9447-1.3399 1.3486 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4468 4.4477 4.6603 4.6615 6.1428 6.1447 6.2552 6.2573 k = 0.9447-1.3399 1.3486 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4468 4.4477 4.6603 4.6615 6.1428 6.1447 6.2552 6.2573 k = 0.9076-1.3398 1.3617 ( 8656 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8175 -9.8175 -5.5350 -5.5350 -5.4029 -5.4029 -2.4453 -2.4453 -2.4187 -2.4187 -1.3434 -1.3434 -1.2656 -1.2656 0.1277 0.1277 0.2984 0.2985 4.4469 4.4484 4.6592 4.6612 6.1409 6.1439 6.2553 6.2586 k = 0.8706-1.3397 1.3748 ( 8650 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6659 -13.6659 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8177 -9.8177 -5.5352 -5.5352 -5.4034 -5.4034 -2.4443 -2.4443 -2.4183 -2.4183 -1.3424 -1.3424 -1.2653 -1.2653 0.1278 0.1279 0.2981 0.2981 4.4471 4.4490 4.6577 4.6604 6.1385 6.1423 6.2558 6.2599 k = 0.8335-1.3397 1.3878 ( 8642 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6659 -13.6659 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8181 -9.8181 -5.5356 -5.5356 -5.4042 -5.4042 -2.4428 -2.4428 -2.4178 -2.4178 -1.3407 -1.3407 -1.2649 -1.2649 0.1281 0.1281 0.2976 0.2976 4.4473 4.4496 4.6558 4.6590 6.1357 6.1400 6.2565 6.2612 k = 0.7964-1.3396 1.4009 ( 8649 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6658 -13.6658 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8186 -9.8186 -5.5361 -5.5361 -5.4053 -5.4053 -2.4407 -2.4407 -2.4169 -2.4169 -1.3385 -1.3385 -1.2642 -1.2642 0.1284 0.1285 0.2968 0.2968 4.4474 4.4500 4.6536 4.6572 6.1326 6.1372 6.2574 6.2623 k = 0.7594-1.3395 1.4140 ( 8651 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6657 -13.6657 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8193 -9.8193 -5.5368 -5.5368 -5.4068 -5.4068 -2.4380 -2.4380 -2.4158 -2.4157 -1.3355 -1.3355 -1.2633 -1.2633 0.1289 0.1289 0.2958 0.2958 4.4474 4.4501 4.6512 4.6549 6.1294 6.1341 6.2582 6.2631 k = 0.7223-1.3394 1.4270 ( 8642 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6656 -13.6656 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8202 -9.8202 -5.5377 -5.5377 -5.4087 -5.4087 -2.4349 -2.4349 -2.4142 -2.4142 -1.3320 -1.3320 -1.2623 -1.2623 0.1295 0.1295 0.2946 0.2946 4.4472 4.4499 4.6486 4.6523 6.1263 6.1307 6.2589 6.2635 k = 0.6853-1.3393 1.4401 ( 8635 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6654 -13.6654 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8212 -9.8212 -5.5387 -5.5387 -5.4108 -5.4108 -2.4315 -2.4315 -2.4121 -2.4121 -1.3279 -1.3279 -1.2609 -1.2609 0.1301 0.1301 0.2932 0.2932 4.4467 4.4493 4.6460 4.6494 6.1233 6.1273 6.2594 6.2634 k = 0.6482-1.3392 1.4532 ( 8637 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6684 -13.6684 -13.6653 -13.6653 -13.6115 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8223 -9.8223 -5.5399 -5.5399 -5.4132 -5.4132 -2.4280 -2.4280 -2.4092 -2.4092 -1.3232 -1.3232 -1.2594 -1.2594 0.1309 0.1309 0.2915 0.2915 4.4459 4.4482 4.6433 4.6464 6.1206 6.1241 6.2595 6.2629 k = 0.6112-1.3391 1.4662 ( 8652 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1558 -16.1558 -13.6684 -13.6684 -13.6651 -13.6651 -13.6115 -13.6115 -13.6021 -13.6021 -13.5745 -13.5745 -13.5695 -13.5695 -9.9159 -9.9159 -9.8237 -9.8237 -5.5412 -5.5412 -5.4160 -5.4160 -2.4246 -2.4246 -2.4054 -2.4054 -1.3179 -1.3179 -1.2575 -1.2575 0.1318 0.1318 0.2896 0.2897 4.4447 4.4465 4.6408 4.6432 6.1183 6.1210 6.2592 6.2619 k = 0.5741-1.3391 1.4793 ( 8657 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6684 -13.6684 -13.6649 -13.6649 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8251 -9.8251 -5.5426 -5.5426 -5.4191 -5.4191 -2.4215 -2.4215 -2.4005 -2.4005 -1.3122 -1.3122 -1.2553 -1.2553 0.1328 0.1328 0.2875 0.2876 4.4430 4.4443 4.6383 4.6400 6.1163 6.1181 6.2586 6.2604 k = 0.5371-1.3390 1.4924 ( 8653 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6647 -13.6647 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8267 -9.8267 -5.5442 -5.5442 -5.4225 -5.4225 -2.4188 -2.4188 -2.3944 -2.3944 -1.3061 -1.3061 -1.2526 -1.2526 0.1339 0.1339 0.2852 0.2852 4.4407 4.4414 4.6360 4.6369 6.1146 6.1156 6.2577 6.2586 k = 0.5000-1.3389 1.5054 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6645 -13.6645 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8285 -9.8285 -5.5459 -5.5459 -5.4262 -5.4262 -2.4162 -2.4162 -2.3873 -2.3873 -1.2998 -1.2998 -1.2494 -1.2494 0.1351 0.1351 0.2827 0.2827 4.4379 4.4379 4.6338 4.6338 6.1133 6.1133 6.2564 6.2564 k = 0.5000 1.5141 1.3291 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1632 -16.1632 -16.1558 -16.1558 -13.6683 -13.6683 -13.6645 -13.6645 -13.6115 -13.6115 -13.6021 -13.6021 -13.5746 -13.5746 -13.5696 -13.5696 -9.9158 -9.9158 -9.8285 -9.8285 -5.5459 -5.5459 -5.4262 -5.4262 -2.4162 -2.4162 -2.3873 -2.3873 -1.2998 -1.2998 -1.2494 -1.2494 0.1351 0.1351 0.2827 0.2827 4.4379 4.4379 4.6338 4.6338 6.1133 6.1133 6.2564 6.2564 k = 0.5000 1.4855 1.3008 ( 8652 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1631 -16.1631 -16.1558 -16.1558 -13.6682 -13.6682 -13.6635 -13.6635 -13.6115 -13.6115 -13.6021 -13.6021 -13.5747 -13.5747 -13.5698 -13.5698 -9.9157 -9.9157 -9.8379 -9.8379 -5.5547 -5.5547 -5.4456 -5.4456 -2.4060 -2.4060 -2.3463 -2.3463 -1.2728 -1.2728 -1.2257 -1.2257 0.1415 0.1415 0.2694 0.2694 4.4190 4.4190 4.6224 4.6224 6.1040 6.1040 6.2485 6.2485 k = 0.5000 1.4570 1.2724 ( 8656 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1630 -16.1630 -16.1557 -16.1557 -13.6679 -13.6679 -13.6623 -13.6623 -13.6116 -13.6116 -13.6021 -13.6021 -13.5749 -13.5749 -13.5700 -13.5700 -9.9156 -9.9156 -9.8502 -9.8502 -5.5656 -5.5656 -5.4701 -5.4701 -2.3946 -2.3946 -2.2919 -2.2919 -1.2531 -1.2531 -1.1803 -1.1803 0.1494 0.1494 0.2529 0.2529 4.3914 4.3914 4.6116 4.6116 6.0902 6.0902 6.2414 6.2414 k = 0.5000 1.4285 1.2441 ( 8656 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1628 -16.1628 -16.1556 -16.1556 -13.6674 -13.6674 -13.6609 -13.6609 -13.6117 -13.6117 -13.6021 -13.6021 -13.5751 -13.5751 -13.5703 -13.5703 -9.9156 -9.9156 -9.8651 -9.8651 -5.5779 -5.5779 -5.4990 -5.4990 -2.3810 -2.3810 -2.2254 -2.2254 -1.2368 -1.2368 -1.1177 -1.1177 0.1576 0.1576 0.2346 0.2346 4.3539 4.3539 4.6031 4.6031 6.0708 6.0708 6.2366 6.2366 k = 0.5000 1.4000 1.2157 ( 8660 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1626 -16.1626 -16.1555 -16.1555 -13.6668 -13.6668 -13.6593 -13.6593 -13.6117 -13.6117 -13.6021 -13.6021 -13.5753 -13.5753 -13.5707 -13.5707 -9.9156 -9.9156 -9.8827 -9.8827 -5.5911 -5.5911 -5.5317 -5.5317 -2.3653 -2.3653 -2.1480 -2.1480 -1.2199 -1.2199 -1.0429 -1.0429 0.1625 0.1625 0.2188 0.2188 4.3066 4.3066 4.5978 4.5978 6.0451 6.0451 6.2351 6.2351 k = 0.5000 1.3714 1.1874 ( 8664 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1624 -16.1624 -16.1554 -16.1554 -13.6661 -13.6661 -13.6576 -13.6576 -13.6118 -13.6118 -13.6021 -13.6021 -13.5756 -13.5756 -13.5711 -13.5711 -9.9159 -9.9159 -9.9025 -9.9025 -5.6047 -5.6047 -5.5675 -5.5675 -2.3473 -2.3473 -2.0604 -2.0604 -1.2012 -1.2012 -0.9581 -0.9581 0.1545 0.1545 0.2153 0.2153 4.2503 4.2503 4.5956 4.5956 6.0127 6.0127 6.2369 6.2369 k = 0.5000 1.3429 1.1590 ( 8654 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1622 -16.1622 -16.1553 -16.1553 -13.6652 -13.6652 -13.6557 -13.6557 -13.6119 -13.6119 -13.6021 -13.6021 -13.5759 -13.5759 -13.5715 -13.5715 -9.9266 -9.9266 -9.9146 -9.9146 -5.6183 -5.6183 -5.6054 -5.6054 -2.3270 -2.3270 -1.9635 -1.9635 -1.1802 -1.1802 -0.8652 -0.8652 0.1328 0.1328 0.2259 0.2259 4.1864 4.1864 4.5962 4.5962 5.9731 5.9731 6.2414 6.2414 k = 0.5000 1.3144 1.1307 ( 8648 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1619 -16.1619 -16.1552 -16.1552 -13.6642 -13.6642 -13.6538 -13.6538 -13.6121 -13.6121 -13.6021 -13.6021 -13.5763 -13.5763 -13.5720 -13.5720 -9.9511 -9.9511 -9.9152 -9.9152 -5.6459 -5.6459 -5.6303 -5.6303 -2.3045 -2.3045 -1.8583 -1.8583 -1.1567 -1.1567 -0.7661 -0.7661 0.1056 0.1056 0.2437 0.2437 4.1160 4.1160 4.5989 4.5989 5.9257 5.9257 6.2479 6.2479 k = 0.5000 1.2858 1.1023 ( 8644 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1616 -16.1616 -16.1551 -16.1551 -13.6631 -13.6631 -13.6517 -13.6517 -13.6122 -13.6122 -13.6020 -13.6020 -13.5766 -13.5766 -13.5725 -13.5725 -9.9783 -9.9783 -9.9155 -9.9155 -5.6864 -5.6864 -5.6419 -5.6419 -2.2799 -2.2799 -1.7458 -1.7458 -1.1302 -1.1302 -0.6633 -0.6633 0.0778 0.0778 0.2655 0.2655 4.0402 4.0402 4.6035 4.6035 5.8698 5.8698 6.2550 6.2550 k = 0.5000 1.2573 1.0740 ( 8636 PWs) bands (ev): -16.1743 -16.1743 -16.1677 -16.1677 -16.1613 -16.1613 -16.1549 -16.1549 -13.6619 -13.6619 -13.6496 -13.6496 -13.6123 -13.6123 -13.6019 -13.6019 -13.5771 -13.5771 -13.5730 -13.5730 -10.0075 -10.0075 -9.9160 -9.9160 -5.7275 -5.7275 -5.6518 -5.6518 -2.2531 -2.2531 -1.6272 -1.6272 -1.1004 -1.1004 -0.5610 -0.5610 0.0537 0.0537 0.2906 0.2906 3.9603 3.9603 4.6091 4.6091 5.8045 5.8045 6.2608 6.2608 k = 0.5000 1.2288 1.0457 ( 8636 PWs) bands (ev): -16.1743 -16.1743 -16.1678 -16.1678 -16.1610 -16.1610 -16.1548 -16.1548 -13.6606 -13.6606 -13.6473 -13.6473 -13.6124 -13.6124 -13.6019 -13.6019 -13.5775 -13.5775 -13.5736 -13.5736 -10.0387 -10.0387 -9.9165 -9.9165 -5.7683 -5.7683 -5.6597 -5.6597 -2.2242 -2.2242 -1.5043 -1.5043 -1.0662 -1.0662 -0.4660 -0.4660 0.0397 0.0397 0.3192 0.3192 3.8769 3.8769 4.6153 4.6153 5.7296 5.7296 6.2611 6.2611 k = 0.5000 1.2002 1.0173 ( 8640 PWs) bands (ev): -16.1743 -16.1743 -16.1678 -16.1678 -16.1606 -16.1606 -16.1546 -16.1546 -13.6593 -13.6593 -13.6450 -13.6450 -13.6125 -13.6125 -13.6017 -13.6017 -13.5780 -13.5780 -13.5743 -13.5743 -10.0716 -10.0716 -9.9173 -9.9173 -5.8083 -5.8083 -5.6652 -5.6652 -2.1933 -2.1933 -1.3798 -1.3798 -1.0257 -1.0257 -0.3904 -0.3904 0.0463 0.0463 0.3519 0.3519 3.7911 3.7911 4.6210 4.6210 5.6452 5.6452 6.2487 6.2487 k = 0.5000 1.1717 0.9890 ( 8640 PWs) bands (ev): -16.1743 -16.1743 -16.1679 -16.1679 -16.1603 -16.1603 -16.1545 -16.1545 -13.6579 -13.6579 -13.6427 -13.6427 -13.6126 -13.6126 -13.6016 -13.6016 -13.5785 -13.5785 -13.5749 -13.5749 -10.1061 -10.1061 -9.9183 -9.9183 -5.8470 -5.8470 -5.6682 -5.6682 -2.1605 -2.1605 -1.2590 -1.2590 -0.9748 -0.9748 -0.3474 -0.3474 0.0852 0.0852 0.3899 0.3899 3.7036 3.7036 4.6250 4.6250 5.5526 5.5526 6.2142 6.2142 k = 0.5000 1.1432 0.9606 ( 8644 PWs) bands (ev): -16.1743 -16.1743 -16.1680 -16.1680 -16.1599 -16.1599 -16.1543 -16.1543 -13.6566 -13.6566 -13.6403 -13.6403 -13.6127 -13.6127 -13.6014 -13.6014 -13.5791 -13.5791 -13.5756 -13.5756 -10.1420 -10.1420 -9.9196 -9.9196 -5.8839 -5.8839 -5.6683 -5.6683 -2.1257 -2.1257 -1.1509 -1.1509 -0.9055 -0.9055 -0.3387 -0.3387 0.1550 0.1550 0.4361 0.4361 3.6153 3.6153 4.6256 4.6256 5.4543 5.4543 6.1535 6.1535 k = 0.5000 1.1147 0.9323 ( 8636 PWs) bands (ev): -16.1743 -16.1743 -16.1681 -16.1681 -16.1595 -16.1595 -16.1541 -16.1541 -13.6553 -13.6553 -13.6379 -13.6379 -13.6127 -13.6127 -13.6012 -13.6012 -13.5796 -13.5796 -13.5763 -13.5763 -10.1790 -10.1790 -9.9212 -9.9212 -5.9188 -5.9188 -5.6656 -5.6656 -2.0891 -2.0891 -1.0649 -1.0649 -0.8106 -0.8106 -0.3521 -0.3521 0.2389 0.2389 0.4956 0.4956 3.5270 3.5270 4.6200 4.6200 5.3536 5.3536 6.0678 6.0678 k = 0.5000 1.0861 0.9039 ( 8634 PWs) bands (ev): -16.1743 -16.1743 -16.1682 -16.1682 -16.1592 -16.1592 -16.1540 -16.1540 -13.6540 -13.6540 -13.6355 -13.6355 -13.6128 -13.6128 -13.6009 -13.6009 -13.5802 -13.5802 -13.5770 -13.5770 -10.2171 -10.2171 -9.9230 -9.9230 -5.9512 -5.9512 -5.6597 -5.6597 -2.0507 -2.0507 -0.9997 -0.9997 -0.6970 -0.6970 -0.3719 -0.3719 0.3187 0.3187 0.5744 0.5744 3.4398 3.4398 4.6043 4.6043 5.2554 5.2554 5.9628 5.9628 k = 0.5000 1.0576 0.8756 ( 8634 PWs) bands (ev): -16.1744 -16.1744 -16.1683 -16.1683 -16.1588 -16.1588 -16.1538 -16.1538 -13.6529 -13.6529 -13.6331 -13.6331 -13.6128 -13.6128 -13.6006 -13.6006 -13.5808 -13.5808 -13.5778 -13.5778 -10.2560 -10.2560 -9.9252 -9.9252 -5.9808 -5.9808 -5.6507 -5.6507 -2.0107 -2.0107 -0.9464 -0.9464 -0.5933 -0.5933 -0.3729 -0.3729 0.3851 0.3851 0.6737 0.6737 3.3550 3.3550 4.5737 4.5737 5.1648 5.1648 5.8464 5.8464 k = 0.5000 1.0291 0.8472 ( 8622 PWs) bands (ev): -16.1744 -16.1744 -16.1684 -16.1684 -16.1585 -16.1585 -16.1537 -16.1537 -13.6519 -13.6519 -13.6307 -13.6307 -13.6128 -13.6128 -13.6002 -13.6002 -13.5815 -13.5815 -13.5785 -13.5785 -10.2955 -10.2955 -9.9278 -9.9278 -6.0074 -6.0074 -5.6385 -5.6385 -1.9690 -1.9690 -0.8986 -0.8986 -0.5549 -0.5549 -0.3031 -0.3031 0.4397 0.4397 0.7867 0.7867 3.2743 3.2743 4.5235 4.5235 5.0861 5.0861 5.7270 5.7270 k = 0.5000 1.0005 0.8189 ( 8610 PWs) bands (ev): -16.1745 -16.1745 -16.1685 -16.1685 -16.1581 -16.1581 -16.1535 -16.1535 -13.6509 -13.6509 -13.6284 -13.6284 -13.6127 -13.6127 -13.5998 -13.5998 -13.5822 -13.5822 -13.5792 -13.5792 -10.3355 -10.3355 -9.9307 -9.9307 -6.0308 -6.0308 -5.6230 -5.6230 -1.9259 -1.9259 -0.8536 -0.8536 -0.5747 -0.5747 -0.1717 -0.1717 0.4871 0.4871 0.9042 0.9042 3.1997 3.1997 4.4521 4.4521 5.0190 5.0190 5.6122 5.6122 k = 0.5000 0.9720 0.7905 ( 8604 PWs) bands (ev): -16.1745 -16.1745 -16.1686 -16.1686 -16.1578 -16.1578 -16.1534 -16.1534 -13.6502 -13.6502 -13.6261 -13.6261 -13.6126 -13.6126 -13.5993 -13.5993 -13.5828 -13.5828 -13.5800 -13.5800 -10.3758 -10.3758 -9.9340 -9.9340 -6.0508 -6.0508 -5.6043 -5.6043 -1.8814 -1.8814 -0.8106 -0.8106 -0.6117 -0.6117 -0.0199 -0.0199 0.5304 0.5304 1.0184 1.0184 3.1340 3.1340 4.3626 4.3626 4.9568 4.9568 5.5105 5.5105 k = 0.5000 0.9435 0.7622 ( 8596 PWs) bands (ev): -16.1746 -16.1746 -16.1688 -16.1688 -16.1575 -16.1575 -16.1533 -16.1533 -13.6496 -13.6496 -13.6239 -13.6239 -13.6124 -13.6124 -13.5988 -13.5988 -13.5835 -13.5835 -13.5807 -13.5807 -10.4161 -10.4161 -9.9377 -9.9377 -6.0672 -6.0672 -5.5824 -5.5824 -1.8357 -1.8357 -0.7721 -0.7721 -0.6505 -0.6505 0.1386 0.1386 0.5713 0.5713 1.1226 1.1226 3.0806 3.0806 4.2610 4.2610 4.8898 4.8898 5.4301 5.4301 k = 0.5000 0.9150 0.7339 ( 8576 PWs) bands (ev): -16.1747 -16.1747 -16.1689 -16.1689 -16.1571 -16.1571 -16.1532 -16.1532 -13.6492 -13.6492 -13.6219 -13.6219 -13.6121 -13.6121 -13.5983 -13.5983 -13.5842 -13.5842 -13.5814 -13.5814 -10.4564 -10.4564 -9.9417 -9.9417 -6.0800 -6.0800 -5.5573 -5.5573 -1.7888 -1.7888 -0.7535 -0.7535 -0.6714 -0.6714 0.2993 0.2993 0.6104 0.6104 1.2106 1.2106 3.0429 3.0429 4.1539 4.1539 4.8109 4.8109 5.3759 5.3759 k = 0.5000 0.8864 0.7055 ( 8576 PWs) bands (ev): -16.1748 -16.1748 -16.1690 -16.1690 -16.1569 -16.1569 -16.1531 -16.1531 -13.6489 -13.6489 -13.6201 -13.6201 -13.6116 -13.6116 -13.5977 -13.5977 -13.5850 -13.5850 -13.5820 -13.5820 -10.4965 -10.4965 -9.9462 -9.9462 -6.0891 -6.0891 -5.5291 -5.5291 -1.7410 -1.7410 -0.7783 -0.7783 -0.6495 -0.6495 0.4591 0.4591 0.6480 0.6480 1.2769 1.2769 3.0239 3.0239 4.0472 4.0472 4.7204 4.7204 5.3463 5.3463 k = 0.5000 0.8579 0.6772 ( 8568 PWs) bands (ev): -16.1749 -16.1749 -16.1692 -16.1692 -16.1566 -16.1566 -16.1530 -16.1530 -13.6488 -13.6488 -13.6186 -13.6186 -13.6109 -13.6109 -13.5971 -13.5971 -13.5857 -13.5857 -13.5826 -13.5826 -10.5361 -10.5361 -9.9509 -9.9509 -6.0945 -6.0945 -5.4979 -5.4979 -1.6925 -1.6925 -0.8208 -0.8208 -0.6095 -0.6095 0.6147 0.6147 0.6851 0.6851 1.3175 1.3175 3.0241 3.0241 3.9472 3.9472 4.6238 4.6238 5.3356 5.3356 k = 0.5000 0.8294 0.6488 ( 8582 PWs) bands (ev): -16.1750 -16.1750 -16.1693 -16.1693 -16.1564 -16.1564 -16.1530 -16.1530 -13.6489 -13.6489 -13.6175 -13.6175 -13.6100 -13.6100 -13.5965 -13.5965 -13.5864 -13.5864 -13.5832 -13.5832 -10.5753 -10.5753 -9.9560 -9.9560 -6.0961 -6.0961 -5.4639 -5.4639 -1.6433 -1.6433 -0.8666 -0.8666 -0.5655 -0.5655 0.7098 0.7098 0.7744 0.7744 1.3314 1.3314 3.0391 3.0391 3.8617 3.8617 4.5281 4.5281 5.3377 5.3377 k = 0.5000 0.8008 0.6205 ( 8584 PWs) bands (ev): -16.1752 -16.1752 -16.1695 -16.1695 -16.1561 -16.1561 -16.1529 -16.1529 -13.6491 -13.6491 -13.6167 -13.6167 -13.6087 -13.6087 -13.5960 -13.5960 -13.5871 -13.5871 -13.5836 -13.5836 -10.6138 -10.6138 -9.9615 -9.9615 -6.0940 -6.0940 -5.4270 -5.4270 -1.5939 -1.5939 -0.9126 -0.9126 -0.5200 -0.5200 0.7391 0.7391 0.9169 0.9169 1.3215 1.3215 3.0583 3.0583 3.8011 3.8011 4.4393 4.4393 5.3482 5.3482 k = 0.5000 0.7723 0.5921 ( 8610 PWs) bands (ev): -16.1753 -16.1753 -16.1696 -16.1696 -16.1560 -16.1560 -16.1529 -16.1529 -13.6495 -13.6495 -13.6163 -13.6163 -13.6073 -13.6073 -13.5956 -13.5956 -13.5878 -13.5878 -13.5840 -13.5840 -10.6515 -10.6515 -9.9671 -9.9671 -6.0883 -6.0883 -5.3875 -5.3875 -1.5446 -1.5446 -0.9578 -0.9578 -0.4740 -0.4740 0.7589 0.7589 1.0503 1.0503 1.2940 1.2940 3.0665 3.0665 3.7772 3.7772 4.3633 4.3633 5.3638 5.3638 k = 0.5000 0.7438 0.5638 ( 8596 PWs) bands (ev): -16.1755 -16.1755 -16.1697 -16.1697 -16.1558 -16.1558 -16.1529 -16.1529 -13.6500 -13.6500 -13.6160 -13.6160 -13.6058 -13.6058 -13.5952 -13.5952 -13.5885 -13.5885 -13.5842 -13.5842 -10.6883 -10.6883 -9.9731 -9.9731 -6.0790 -6.0790 -5.3454 -5.3454 -1.4957 -1.4957 -1.0012 -1.0012 -0.4279 -0.4279 0.7667 0.7667 1.1672 1.1672 1.2595 1.2595 3.0529 3.0529 3.7958 3.7958 4.3064 4.3064 5.3827 5.3827 k = 0.5000 0.7152 0.5354 ( 8592 PWs) bands (ev): -16.1756 -16.1756 -16.1699 -16.1699 -16.1557 -16.1557 -16.1529 -16.1529 -13.6507 -13.6507 -13.6159 -13.6159 -13.6044 -13.6044 -13.5950 -13.5950 -13.5891 -13.5891 -13.5842 -13.5842 -10.7241 -10.7241 -9.9792 -9.9792 -6.0663 -6.0663 -5.3011 -5.3011 -1.4481 -1.4481 -1.0422 -1.0422 -0.3820 -0.3820 0.7566 0.7566 1.2121 1.2121 1.2795 1.2795 3.0189 3.0189 3.8473 3.8473 4.2771 4.2771 5.4036 5.4036 k = 0.5000 0.6867 0.5071 ( 8596 PWs) bands (ev): -16.1758 -16.1758 -16.1700 -16.1700 -16.1555 -16.1555 -16.1529 -16.1529 -13.6514 -13.6514 -13.6159 -13.6159 -13.6030 -13.6030 -13.5949 -13.5949 -13.5897 -13.5897 -13.5841 -13.5841 -10.7588 -10.7588 -9.9855 -9.9855 -6.0503 -6.0503 -5.2546 -5.2546 -1.4028 -1.4028 -1.0794 -1.0794 -0.3365 -0.3365 0.7233 0.7233 1.1895 1.1895 1.3541 1.3541 2.9746 2.9746 3.9107 3.9107 4.2871 4.2871 5.4259 5.4259 k = 0.5000 0.6582 0.4787 ( 8598 PWs) bands (ev): -16.1760 -16.1760 -16.1702 -16.1702 -16.1554 -16.1554 -16.1530 -16.1530 -13.6522 -13.6522 -13.6159 -13.6159 -13.6017 -13.6017 -13.5950 -13.5950 -13.5903 -13.5903 -13.5839 -13.5839 -10.7923 -10.7923 -9.9919 -9.9919 -6.0313 -6.0313 -5.2061 -5.2061 -1.3624 -1.3624 -1.1108 -1.1108 -0.2918 -0.2918 0.6657 0.6657 1.1770 1.1770 1.4062 1.4062 2.9297 2.9297 3.9676 3.9676 4.3448 4.3448 5.4492 5.4492 k = 0.5000 0.6297 0.4504 ( 8580 PWs) bands (ev): -16.1761 -16.1761 -16.1703 -16.1703 -16.1554 -16.1554 -16.1530 -16.1530 -13.6531 -13.6531 -13.6160 -13.6160 -13.6006 -13.6006 -13.5951 -13.5951 -13.5908 -13.5908 -13.5835 -13.5835 -10.8245 -10.8245 -9.9984 -9.9984 -6.0093 -6.0093 -5.1560 -5.1560 -1.3313 -1.3313 -1.1317 -1.1317 -0.2481 -0.2481 0.5881 0.5881 1.1741 1.1741 1.4326 1.4326 2.8899 2.8899 4.0175 4.0175 4.4432 4.4432 5.4739 5.4739 k = 0.5000 0.6011 0.4221 ( 8566 PWs) bands (ev): -16.1763 -16.1763 -16.1705 -16.1705 -16.1553 -16.1553 -16.1531 -16.1531 -13.6541 -13.6541 -13.6161 -13.6161 -13.5996 -13.5996 -13.5954 -13.5954 -13.5912 -13.5912 -13.5830 -13.5830 -10.8554 -10.8554 -10.0049 -10.0049 -5.9848 -5.9848 -5.1044 -5.1044 -1.3167 -1.3167 -1.1352 -1.1352 -0.2057 -0.2057 0.4968 0.4968 1.1744 1.1744 1.4363 1.4363 2.8570 2.8570 4.0716 4.0716 4.5647 4.5647 5.5007 5.5007 k = 0.5000 0.5726 0.3937 ( 8578 PWs) bands (ev): -16.1765 -16.1765 -16.1706 -16.1706 -16.1553 -16.1553 -16.1531 -16.1531 -13.6551 -13.6551 -13.6163 -13.6163 -13.5989 -13.5989 -13.5956 -13.5956 -13.5914 -13.5914 -13.5825 -13.5825 -10.8848 -10.8848 -10.0113 -10.0113 -5.9578 -5.9578 -5.0516 -5.0516 -1.3212 -1.3212 -1.1189 -1.1189 -0.1650 -0.1650 0.3975 0.3975 1.1692 1.1692 1.4256 1.4256 2.8299 2.8299 4.1378 4.1378 4.6941 4.6941 5.5308 5.5308 k = 0.5000 0.5441 0.3654 ( 8592 PWs) bands (ev): -16.1767 -16.1767 -16.1707 -16.1707 -16.1553 -16.1553 -16.1532 -16.1532 -13.6562 -13.6562 -13.6164 -13.6164 -13.5984 -13.5984 -13.5960 -13.5960 -13.5916 -13.5916 -13.5819 -13.5819 -10.9128 -10.9128 -10.0177 -10.0177 -5.9289 -5.9289 -4.9980 -4.9980 -1.3385 -1.3385 -1.0895 -1.0895 -0.1264 -0.1264 0.2942 0.2942 1.1491 1.1491 1.4125 1.4125 2.8066 2.8066 4.2184 4.2184 4.8206 4.8206 5.5661 5.5661 k = 0.5000 0.5155 0.3370 ( 8598 PWs) bands (ev): -16.1768 -16.1768 -16.1708 -16.1708 -16.1553 -16.1553 -16.1533 -16.1533 -13.6572 -13.6572 -13.6166 -13.6166 -13.5981 -13.5981 -13.5962 -13.5962 -13.5916 -13.5916 -13.5814 -13.5814 -10.9393 -10.9393 -10.0240 -10.0240 -5.8982 -5.8982 -4.9439 -4.9439 -1.3612 -1.3612 -1.0547 -1.0547 -0.0906 -0.0906 0.1901 0.1901 1.1078 1.1078 1.4071 1.4071 2.7854 2.7854 4.3119 4.3119 4.9363 4.9363 5.6086 5.6086 k = 0.5000 0.4870 0.3087 ( 8594 PWs) bands (ev): -16.1770 -16.1770 -16.1710 -16.1710 -16.1554 -16.1554 -16.1534 -16.1533 -13.6583 -13.6583 -13.6168 -13.6168 -13.5982 -13.5982 -13.5965 -13.5965 -13.5915 -13.5915 -13.5808 -13.5808 -10.9642 -10.9642 -10.0301 -10.0301 -5.8661 -5.8661 -4.8897 -4.8897 -1.3855 -1.3855 -1.0188 -1.0188 -0.0584 -0.0584 0.0881 0.0881 1.0472 1.0472 1.4119 1.4119 2.7652 2.7652 4.4146 4.4146 5.0350 5.0350 5.6596 5.6596 k = 0.5000 0.4585 0.2803 ( 8590 PWs) bands (ev): -16.1772 -16.1772 -16.1711 -16.1711 -16.1554 -16.1554 -16.1534 -16.1534 -13.6594 -13.6594 -13.6170 -13.6170 -13.5984 -13.5984 -13.5967 -13.5967 -13.5913 -13.5913 -13.5802 -13.5802 -10.9875 -10.9875 -10.0359 -10.0359 -5.8332 -5.8332 -4.8357 -4.8357 -1.4095 -1.4095 -0.9844 -0.9844 -0.0393 -0.0393 -0.0011 -0.0011 0.9742 0.9742 1.4237 1.4238 2.7458 2.7458 4.5220 4.5220 5.1136 5.1136 5.7184 5.7184 k = 0.5000 0.4299 0.2520 ( 8594 PWs) bands (ev): -16.1773 -16.1773 -16.1712 -16.1712 -16.1555 -16.1555 -16.1535 -16.1535 -13.6605 -13.6605 -13.6172 -13.6172 -13.5987 -13.5987 -13.5969 -13.5969 -13.5911 -13.5911 -13.5796 -13.5796 -11.0091 -11.0091 -10.0415 -10.0415 -5.7997 -5.7997 -4.7825 -4.7825 -1.4322 -1.4322 -0.9532 -0.9532 -0.1111 -0.1111 0.0015 0.0015 0.8957 0.8957 1.4393 1.4393 2.7272 2.7272 4.6293 4.6293 5.1727 5.1727 5.7809 5.7809 k = 0.5000 0.4014 0.2236 ( 8572 PWs) bands (ev): -16.1775 -16.1775 -16.1713 -16.1713 -16.1555 -16.1555 -16.1536 -16.1536 -13.6615 -13.6615 -13.6174 -13.6174 -13.5990 -13.5990 -13.5971 -13.5971 -13.5909 -13.5909 -13.5790 -13.5790 -11.0291 -11.0291 -10.0468 -10.0468 -5.7662 -5.7662 -4.7304 -4.7304 -1.4534 -1.4534 -0.9266 -0.9266 -0.1966 -0.1966 0.0196 0.0196 0.8172 0.8172 1.4563 1.4563 2.7097 2.7097 4.7322 4.7322 5.2154 5.2154 5.8410 5.8410 k = 0.5000 0.3729 0.1953 ( 8580 PWs) bands (ev): -16.1777 -16.1777 -16.1714 -16.1714 -16.1556 -16.1556 -16.1537 -16.1537 -13.6625 -13.6625 -13.6176 -13.6176 -13.5993 -13.5993 -13.5974 -13.5974 -13.5907 -13.5907 -13.5785 -13.5785 -11.0474 -11.0474 -10.0518 -10.0518 -5.7331 -5.7331 -4.6801 -4.6801 -1.4726 -1.4726 -0.9065 -0.9065 -0.2735 -0.2735 0.0321 0.0321 0.7429 0.7429 1.4733 1.4733 2.6936 2.6936 4.8267 4.8267 5.2460 5.2460 5.8931 5.8931 k = 0.5000 0.3444 0.1669 ( 8572 PWs) bands (ev): -16.1778 -16.1778 -16.1715 -16.1715 -16.1556 -16.1556 -16.1538 -16.1538 -13.6634 -13.6634 -13.6178 -13.6178 -13.5997 -13.5997 -13.5976 -13.5976 -13.5905 -13.5905 -13.5781 -13.5781 -11.0641 -11.0641 -10.0564 -10.0564 -5.7010 -5.7010 -4.6321 -4.6321 -1.4898 -1.4898 -0.8944 -0.8944 -0.3390 -0.3390 0.0370 0.0370 0.6765 0.6765 1.4895 1.4895 2.6791 2.6791 4.9100 4.9100 5.2682 5.2682 5.9347 5.9348 k = 0.5000 0.3158 0.1386 ( 8568 PWs) bands (ev): -16.1779 -16.1779 -16.1716 -16.1716 -16.1557 -16.1557 -16.1538 -16.1538 -13.6643 -13.6643 -13.6180 -13.6180 -13.6000 -13.6000 -13.5978 -13.5978 -13.5903 -13.5903 -13.5776 -13.5776 -11.0789 -11.0789 -10.0606 -10.0606 -5.6703 -5.6703 -4.5870 -4.5870 -1.5048 -1.5048 -0.8918 -0.8918 -0.3909 -0.3909 0.0332 0.0332 0.6206 0.6206 1.5043 1.5043 2.6663 2.6663 4.9805 4.9805 5.2847 5.2847 5.9663 5.9663 k = 0.5000 0.2873 0.1103 ( 8566 PWs) bands (ev): -16.1780 -16.1780 -16.1716 -16.1716 -16.1558 -16.1558 -16.1539 -16.1539 -13.6651 -13.6651 -13.6182 -13.6182 -13.6003 -13.6003 -13.5980 -13.5980 -13.5902 -13.5902 -13.5772 -13.5772 -11.0921 -11.0921 -10.0644 -10.0644 -5.6417 -5.6417 -4.5453 -4.5453 -1.5178 -1.5178 -0.8990 -0.8990 -0.4285 -0.4285 0.0208 0.0208 0.5768 0.5768 1.5175 1.5175 2.6553 2.6553 5.0378 5.0378 5.2974 5.2975 5.9898 5.9898 k = 0.5000 0.2588 0.0819 ( 8568 PWs) bands (ev): -16.1782 -16.1782 -16.1717 -16.1717 -16.1558 -16.1558 -16.1540 -16.1540 -13.6658 -13.6658 -13.6183 -13.6183 -13.6005 -13.6005 -13.5982 -13.5982 -13.5901 -13.5901 -13.5769 -13.5769 -11.1035 -11.1035 -10.0677 -10.0677 -5.6155 -5.6155 -4.5077 -4.5077 -1.5288 -1.5288 -0.9145 -0.9145 -0.4527 -0.4527 0.0011 0.0011 0.5449 0.5449 1.5290 1.5290 2.6460 2.6460 5.0826 5.0826 5.3077 5.3077 6.0073 6.0073 k = 0.5000 0.2302 0.0536 ( 8552 PWs) bands (ev): -16.1782 -16.1782 -16.1717 -16.1717 -16.1559 -16.1559 -16.1540 -16.1540 -13.6664 -13.6664 -13.6185 -13.6185 -13.6007 -13.6007 -13.5983 -13.5983 -13.5900 -13.5900 -13.5766 -13.5766 -11.1132 -11.1132 -10.0705 -10.0705 -5.5924 -5.5924 -4.4746 -4.4746 -1.5378 -1.5378 -0.9353 -0.9353 -0.4663 -0.4663 -0.0232 -0.0232 0.5234 0.5234 1.5387 1.5387 2.6385 2.6385 5.1164 5.1164 5.3161 5.3161 6.0202 6.0202 k = 0.5000 0.2017 0.0252 ( 8550 PWs) bands (ev): -16.1783 -16.1783 -16.1718 -16.1718 -16.1560 -16.1560 -16.1541 -16.1541 -13.6669 -13.6669 -13.6186 -13.6186 -13.6009 -13.6009 -13.5985 -13.5985 -13.5900 -13.5900 -13.5764 -13.5764 -11.1211 -11.1211 -10.0729 -10.0729 -5.5727 -5.5727 -4.4467 -4.4467 -1.5449 -1.5449 -0.9575 -0.9575 -0.4726 -0.4726 -0.0487 -0.0487 0.5098 0.5098 1.5466 1.5466 2.6325 2.6325 5.1410 5.1410 5.3231 5.3231 6.0297 6.0297 k = 0.5000 0.1732-0.0031 ( 8554 PWs) bands (ev): -16.1784 -16.1784 -16.1718 -16.1718 -16.1560 -16.1560 -16.1541 -16.1541 -13.6673 -13.6673 -13.6187 -13.6187 -13.6011 -13.6011 -13.5986 -13.5986 -13.5899 -13.5899 -13.5762 -13.5762 -11.1273 -11.1273 -10.0747 -10.0747 -5.5570 -5.5570 -4.4245 -4.4245 -1.5503 -1.5503 -0.9779 -0.9779 -0.4747 -0.4747 -0.0720 -0.0720 0.5018 0.5018 1.5526 1.5526 2.6280 2.6280 5.1580 5.1581 5.3286 5.3286 6.0366 6.0366 k = 0.5000 0.1447-0.0315 ( 8562 PWs) bands (ev): -16.1784 -16.1784 -16.1718 -16.1718 -16.1560 -16.1560 -16.1541 -16.1541 -13.6676 -13.6676 -13.6188 -13.6188 -13.6012 -13.6012 -13.5987 -13.5987 -13.5899 -13.5899 -13.5761 -13.5761 -11.1317 -11.1317 -10.0760 -10.0760 -5.5455 -5.5455 -4.4083 -4.4083 -1.5541 -1.5541 -0.9941 -0.9941 -0.4748 -0.4748 -0.0906 -0.0906 0.4974 0.4974 1.5569 1.5569 2.6249 2.6249 5.1691 5.1691 5.3327 5.3327 6.0412 6.0412 k = 0.5000 0.1161-0.0598 ( 8560 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1541 -16.1541 -13.6678 -13.6678 -13.6188 -13.6188 -13.6012 -13.6012 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1344 -11.1344 -10.0768 -10.0768 -5.5384 -5.5384 -4.3984 -4.3984 -1.5564 -1.5564 -1.0043 -1.0043 -0.4743 -0.4743 -0.1024 -0.1024 0.4953 0.4953 1.5595 1.5595 2.6231 2.6231 5.1753 5.1753 5.3352 5.3352 6.0438 6.0438 k = 0.5000 0.0876-0.0882 ( 8544 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5361 -5.5361 -4.3951 -4.3951 -1.5571 -1.5571 -1.0078 -1.0078 -0.4741 -0.4741 -0.1065 -0.1065 0.4947 0.4947 1.5603 1.5603 2.6225 2.6225 5.1773 5.1773 5.3360 5.3360 6.0447 6.0447 k = 0.0000 1.5054 1.4957 ( 8632 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4470 4.4470 4.6612 4.6612 6.1444 6.1444 6.2559 6.2559 k = 0.0277 1.5102 1.4908 ( 8632 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4468 4.4473 4.6608 4.6614 6.1438 6.1448 6.2554 6.2565 k = 0.0553 1.5151 1.4859 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4468 4.4477 4.6603 4.6615 6.1428 6.1447 6.2552 6.2573 k = 0.9447-1.3399 1.3486 ( 8648 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2985 0.2985 4.4468 4.4477 4.6603 4.6615 6.1428 6.1447 6.2552 6.2573 k = 0.9076-1.3464 1.3552 ( 8656 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1277 0.1277 0.2986 0.2986 4.4470 4.4485 4.6594 4.6614 6.1410 6.1440 6.2553 6.2586 k = 0.8706-1.3529 1.3617 ( 8652 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1276 0.1276 0.2986 0.2986 4.4475 4.4494 4.6583 4.6610 6.1389 6.1427 6.2559 6.2600 k = 0.8335-1.3594 1.3682 ( 8636 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1276 0.1276 0.2986 0.2986 4.4482 4.4506 4.6571 4.6603 6.1365 6.1409 6.2568 6.2616 k = 0.7964-1.3659 1.3748 ( 8640 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1276 0.1276 0.2986 0.2987 4.4491 4.4517 4.6559 4.6595 6.1340 6.1386 6.2581 6.2631 k = 0.7594-1.3724 1.3813 ( 8646 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1275 0.1276 0.2987 0.2987 4.4502 4.4529 4.6547 4.6584 6.1315 6.1361 6.2597 6.2645 k = 0.7223-1.3789 1.3878 ( 8646 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1275 0.1275 0.2987 0.2987 4.4514 4.4541 4.6535 4.6573 6.1291 6.1335 6.2613 6.2659 k = 0.6853-1.3853 1.3944 ( 8652 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1275 0.1275 0.2987 0.2988 4.4525 4.4551 4.6525 4.6560 6.1270 6.1309 6.2630 6.2670 k = 0.6482-1.3918 1.4009 ( 8644 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1275 0.2988 0.2988 4.4537 4.4560 4.6517 4.6548 6.1252 6.1285 6.2646 6.2680 k = 0.6112-1.3983 1.4074 ( 8656 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4548 4.4566 4.6512 4.6537 6.1238 6.1263 6.2661 6.2686 k = 0.5741-1.4048 1.4140 ( 8644 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4557 4.4570 4.6509 4.6527 6.1229 6.1246 6.2673 6.2690 k = 0.5371-1.4113 1.4205 ( 8650 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4564 4.4571 4.6509 4.6518 6.1225 6.1234 6.2682 6.2691 k = 0.5000-1.4178 1.4270 ( 8660 PWs) bands (ev): -16.1744 -16.1744 -16.1678 -16.1678 -16.1633 -16.1633 -16.1559 -16.1559 -13.6683 -13.6683 -13.6660 -13.6660 -13.6114 -13.6114 -13.6021 -13.6021 -13.5745 -13.5745 -13.5694 -13.5694 -9.9159 -9.9159 -9.8174 -9.8174 -5.5349 -5.5349 -5.4027 -5.4027 -2.4456 -2.4456 -2.4188 -2.4188 -1.3437 -1.3437 -1.2657 -1.2657 0.1274 0.1274 0.2988 0.2988 4.4569 4.4569 4.6512 4.6512 6.1227 6.1227 6.2688 6.2688 k = 0.5000 0.0876 1.4173 ( 8588 PWs) bands (ev): -16.1718 -16.1718 -16.1716 -16.1716 -16.1530 -16.1530 -16.1527 -16.1527 -13.6318 -13.6318 -13.6277 -13.6277 -13.5967 -13.5967 -13.5946 -13.5946 -13.5854 -13.5854 -13.5833 -13.5833 -10.2472 -10.2472 -10.2470 -10.2470 -6.2356 -6.2356 -6.2347 -6.2347 -0.2563 -0.2563 -0.2491 -0.2491 0.6448 0.6448 0.7021 0.7021 1.2008 1.2008 1.3024 1.3024 2.8418 2.8418 2.9393 2.9393 4.1528 4.1528 4.2058 4.2058 k = 0.4865 0.0852 1.3790 ( 8589 PWs) bands (ev): -16.1720 -16.1717 -16.1717 -16.1714 -16.1531 -16.1529 -16.1527 -16.1527 -13.6329 -13.6308 -13.6287 -13.6269 -13.5970 -13.5963 -13.5948 -13.5944 -13.5856 -13.5853 -13.5834 -13.5833 -10.2767 -10.2762 -10.2192 -10.2191 -6.2622 -6.2616 -6.2048 -6.2036 -0.3176 -0.3103 -0.1957 -0.1888 0.5978 0.6575 0.6886 0.7419 1.1312 1.2343 1.2702 1.3681 2.7673 2.8674 2.9219 3.0155 4.1023 4.1562 4.2077 4.2592 k = 0.4730 0.0829 1.3407 ( 8588 PWs) bands (ev): -16.1721 -16.1719 -16.1716 -16.1713 -16.1532 -16.1528 -16.1528 -16.1526 -13.6339 -13.6298 -13.6296 -13.6260 -13.5973 -13.5960 -13.5950 -13.5942 -13.5857 -13.5853 -13.5835 -13.5834 -10.3074 -10.3068 -10.1927 -10.1926 -6.2846 -6.2843 -6.1700 -6.1686 -0.3793 -0.3719 -0.1365 -0.1301 0.5484 0.6089 0.7283 0.7764 1.0624 1.1650 1.3378 1.4300 2.6997 2.8006 3.0063 3.0952 4.0568 4.1117 4.2643 4.3148 k = 0.4595 0.0805 1.3024 ( 8594 PWs) bands (ev): -16.1722 -16.1721 -16.1715 -16.1711 -16.1533 -16.1528 -16.1528 -16.1526 -13.6350 -13.6306 -13.6289 -13.6252 -13.5976 -13.5956 -13.5952 -13.5939 -13.5859 -13.5852 -13.5836 -13.5835 -10.3392 -10.3384 -10.1681 -10.1677 -6.3026 -6.3025 -6.1313 -6.1297 -0.4410 -0.4335 -0.0795 -0.0742 0.4978 0.5569 0.7635 0.8049 0.9958 1.0955 1.4022 1.4860 2.6408 2.7402 3.0940 3.1778 4.0169 4.0722 4.3185 4.3684 k = 0.4459 0.0781 1.2640 ( 8593 PWs) bands (ev): -16.1724 -16.1723 -16.1714 -16.1710 -16.1534 -16.1529 -16.1527 -16.1526 -13.6360 -13.6316 -13.6279 -13.6245 -13.5979 -13.5954 -13.5953 -13.5937 -13.5861 -13.5852 -13.5838 -13.5836 -10.3719 -10.3709 -10.1452 -10.1446 -6.3163 -6.3161 -6.0890 -6.0871 -0.5023 -0.4947 -0.0257 -0.0226 0.4475 0.5025 0.7935 0.8253 0.9341 1.0268 1.4614 1.5340 2.5929 2.6876 3.1843 3.2627 3.9823 4.0375 4.3631 4.4115 k = 0.4324 0.0758 1.2257 ( 8594 PWs) bands (ev): -16.1726 -16.1725 -16.1714 -16.1709 -16.1536 -16.1529 -16.1527 -16.1526 -13.6371 -13.6327 -13.6270 -13.6237 -13.5982 -13.5956 -13.5950 -13.5935 -13.5864 -13.5852 -13.5840 -13.5838 -10.4054 -10.4043 -10.1241 -10.1233 -6.3257 -6.3252 -6.0432 -6.0411 -0.5630 -0.5554 0.0219 0.0231 0.4000 0.4470 0.8177 0.8263 0.8897 0.9602 1.5129 1.5711 2.5584 2.6448 3.2760 3.3493 3.9529 4.0075 4.3914 4.4347 k = 0.4189 0.0734 1.1874 ( 8598 PWs) bands (ev): -16.1727 -16.1727 -16.1713 -16.1708 -16.1537 -16.1530 -16.1527 -16.1527 -13.6383 -13.6339 -13.6260 -13.6230 -13.5984 -13.5958 -13.5946 -13.5933 -13.5867 -13.5852 -13.5842 -13.5840 -10.4394 -10.4382 -10.1050 -10.1040 -6.3305 -6.3297 -5.9941 -5.9918 -0.6230 -0.6153 0.0544 0.0642 0.3595 0.3922 0.7883 0.8333 0.8836 0.8995 1.5541 1.5948 2.5395 2.6139 3.3680 3.4367 3.9285 3.9821 4.4062 4.4431 k = 0.4054 0.0710 1.1491 ( 8600 PWs) bands (ev): -16.1729 -16.1729 -16.1713 -16.1707 -16.1539 -16.1531 -16.1527 -16.1527 -13.6394 -13.6351 -13.6252 -13.6224 -13.5986 -13.5960 -13.5943 -13.5931 -13.5870 -13.5852 -13.5845 -13.5843 -10.4739 -10.4725 -10.0878 -10.0866 -6.3309 -6.3298 -5.9419 -5.9396 -0.6819 -0.6742 0.0679 0.0931 0.3319 0.3416 0.7383 0.8164 0.8704 0.8908 1.5824 1.6035 2.5374 2.5968 3.4584 3.5233 3.9096 3.9622 4.4173 4.4501 k = 0.3919 0.0687 1.1108 ( 8600 PWs) bands (ev): -16.1731 -16.1731 -16.1712 -16.1706 -16.1540 -16.1532 -16.1527 -16.1527 -13.6405 -13.6363 -13.6243 -13.6217 -13.5987 -13.5961 -13.5940 -13.5929 -13.5873 -13.5852 -13.5848 -13.5845 -10.5086 -10.5072 -10.0726 -10.0712 -6.3269 -6.3256 -5.8870 -5.8845 -0.7397 -0.7320 0.0571 0.1024 0.3004 0.3206 0.6912 0.7660 0.8759 0.8990 1.5958 1.5971 2.5516 2.5944 3.5440 3.6061 3.8989 3.9508 4.4332 4.4640 k = 0.3784 0.0663 1.0725 ( 8601 PWs) bands (ev): -16.1734 -16.1733 -16.1712 -16.1705 -16.1542 -16.1532 -16.1528 -16.1527 -13.6417 -13.6376 -13.6234 -13.6212 -13.5989 -13.5963 -13.5937 -13.5928 -13.5877 -13.5852 -13.5852 -13.5847 -10.5434 -10.5419 -10.0594 -10.0578 -6.3186 -6.3170 -5.8294 -5.8268 -0.7962 -0.7884 0.0252 0.0857 0.2730 0.3198 0.6508 0.7167 0.8846 0.9073 1.5773 1.5940 2.5795 2.6063 3.6191 3.6779 3.9036 3.9537 4.4578 4.4883 k = 0.3649 0.0639 1.0342 ( 8593 PWs) bands (ev): -16.1736 -16.1735 -16.1711 -16.1705 -16.1543 -16.1533 -16.1529 -16.1527 -13.6429 -13.6389 -13.6226 -13.6206 -13.5990 -13.5964 -13.5934 -13.5927 -13.5881 -13.5856 -13.5852 -13.5848 -10.5782 -10.5766 -10.0482 -10.0464 -6.3061 -6.3043 -5.7695 -5.7669 -0.8513 -0.8434 -0.0195 0.0465 0.2539 0.3181 0.6184 0.6751 0.8936 0.9172 1.5468 1.5780 2.6174 2.6301 3.6760 3.7274 3.9359 3.9794 4.4929 4.5239 k = 0.3514 0.0616 0.9959 ( 8593 PWs) bands (ev): -16.1738 -16.1738 -16.1711 -16.1704 -16.1545 -16.1534 -16.1529 -16.1527 -13.6441 -13.6403 -13.6219 -13.6201 -13.5991 -13.5965 -13.5932 -13.5927 -13.5885 -13.5860 -13.5851 -13.5849 -10.6127 -10.6111 -10.0388 -10.0369 -6.2897 -6.2877 -5.7076 -5.7049 -0.9048 -0.8968 -0.0710 -0.0052 0.2328 0.3071 0.5933 0.6427 0.9041 0.9301 1.5085 1.5501 2.6609 2.6624 3.7115 3.7524 3.9991 4.0326 4.5387 4.5709 k = 0.3378 0.0592 0.9576 ( 8598 PWs) bands (ev): -16.1740 -16.1740 -16.1711 -16.1704 -16.1546 -16.1535 -16.1530 -16.1527 -13.6454 -13.6417 -13.6212 -13.6196 -13.5991 -13.5966 -13.5930 -13.5928 -13.5890 -13.5865 -13.5850 -13.5849 -10.6470 -10.6454 -10.0313 -10.0292 -6.2695 -6.2673 -5.6438 -5.6410 -0.9566 -0.9486 -0.1256 -0.0626 0.2049 0.2836 0.5729 0.6179 0.9175 0.9473 1.4654 1.5130 2.6987 2.7061 3.7334 3.7668 4.0811 4.1074 4.5948 4.6285 k = 0.3243 0.0568 0.9193 ( 8604 PWs) bands (ev): -16.1743 -16.1742 -16.1711 -16.1703 -16.1548 -16.1535 -16.1531 -16.1528 -13.6466 -13.6431 -13.6205 -13.6192 -13.5992 -13.5967 -13.5929 -13.5928 -13.5894 -13.5870 -13.5849 -13.5848 -10.6807 -10.6791 -10.0255 -10.0233 -6.2457 -6.2434 -5.5784 -5.5757 -1.0067 -0.9986 -0.1816 -0.1222 0.1703 0.2494 0.5537 0.5967 0.9346 0.9693 1.4199 1.4693 2.7349 2.7489 3.7527 3.7830 4.1716 4.1946 4.6601 4.6958 k = 0.3108 0.0544 0.8810 ( 8604 PWs) bands (ev): -16.1745 -16.1745 -16.1711 -16.1703 -16.1550 -16.1536 -16.1532 -16.1528 -13.6479 -13.6445 -13.6199 -13.6188 -13.5992 -13.5967 -13.5931 -13.5927 -13.5899 -13.5875 -13.5847 -13.5847 -10.7139 -10.7123 -10.0213 -10.0190 -6.2187 -6.2163 -5.5118 -5.5091 -1.0548 -1.0467 -0.2379 -0.1825 0.1310 0.2080 0.5330 0.5752 0.9544 0.9952 1.3746 1.4217 2.7674 2.7860 3.7774 3.8072 4.2656 4.2877 4.7338 4.7716 k = 0.2973 0.0521 0.8427 ( 8602 PWs) bands (ev): -16.1748 -16.1747 -16.1711 -16.1703 -16.1551 -16.1537 -16.1533 -16.1529 -13.6492 -13.6460 -13.6193 -13.6185 -13.5992 -13.5968 -13.5934 -13.5926 -13.5904 -13.5880 -13.5845 -13.5845 -10.7464 -10.7448 -10.0186 -10.0162 -6.1887 -6.1862 -5.4442 -5.4415 -1.1011 -1.0928 -0.2939 -0.2425 0.0890 0.1623 0.5094 0.5509 0.9743 1.0234 1.3325 1.3727 2.7935 2.8151 3.8122 3.8426 4.3609 4.3830 4.8145 4.8547 k = 0.2838 0.0497 0.8044 ( 8606 PWs) bands (ev): -16.1751 -16.1750 -16.1712 -16.1703 -16.1553 -16.1538 -16.1534 -16.1529 -13.6504 -13.6475 -13.6188 -13.6182 -13.5992 -13.5968 -13.5938 -13.5926 -13.5908 -13.5885 -13.5841 -13.5841 -10.7781 -10.7765 -10.0172 -10.0148 -6.1562 -6.1536 -5.3759 -5.3733 -1.1452 -1.1370 -0.3491 -0.3018 0.0458 0.1148 0.4826 0.5231 0.9899 1.0504 1.2974 1.3256 2.8118 2.8349 3.8590 3.8906 4.4559 4.4781 4.9009 4.9433 k = 0.2703 0.0473 0.7661 ( 8601 PWs) bands (ev): -16.1753 -16.1752 -16.1712 -16.1704 -16.1554 -16.1538 -16.1536 -16.1530 -13.6517 -13.6490 -13.6184 -13.6180 -13.5992 -13.5968 -13.5942 -13.5927 -13.5912 -13.5890 -13.5838 -13.5838 -10.8089 -10.8073 -10.0171 -10.0147 -6.1213 -6.1187 -5.3072 -5.3047 -1.1873 -1.1790 -0.4033 -0.3598 0.0023 0.0668 0.4529 0.4918 0.9956 1.0705 1.2745 1.2862 2.8221 2.8457 3.9182 3.9509 4.5493 4.5709 4.9910 5.0349 k = 0.2568 0.0450 0.7278 ( 8600 PWs) bands (ev): -16.1756 -16.1754 -16.1712 -16.1704 -16.1555 -16.1539 -16.1537 -16.1531 -13.6530 -13.6505 -13.6180 -13.6178 -13.5992 -13.5969 -13.5947 -13.5930 -13.5914 -13.5894 -13.5833 -13.5833 -10.8386 -10.8371 -10.0181 -10.0156 -6.0845 -6.0818 -5.2385 -5.2360 -1.2272 -1.2188 -0.4561 -0.4163 -0.0407 0.0193 0.4208 0.4576 0.9864 1.0737 1.2639 1.2678 2.8251 2.8483 3.9886 4.0224 4.6394 4.6590 5.0804 5.1233 k = 0.2432 0.0426 0.6895 ( 8596 PWs) bands (ev): -16.1758 -16.1757 -16.1712 -16.1705 -16.1557 -16.1540 -16.1538 -16.1531 -13.6542 -13.6520 -13.6177 -13.6176 -13.5992 -13.5969 -13.5952 -13.5933 -13.5915 -13.5898 -13.5829 -13.5829 -10.8673 -10.8659 -10.0199 -10.0175 -6.0461 -6.0435 -5.1700 -5.1677 -1.2648 -1.2565 -0.5074 -0.4711 -0.0826 -0.0271 0.3867 0.4209 0.9628 1.0532 1.2655 1.2766 2.8220 2.8443 4.0685 4.1030 4.7240 4.7396 5.1556 5.1924 k = 0.2297 0.0402 0.6512 ( 8595 PWs) bands (ev): -16.1761 -16.1759 -16.1713 -16.1705 -16.1558 -16.1541 -16.1538 -16.1532 -13.6555 -13.6534 -13.6175 -13.6175 -13.5993 -13.5970 -13.5956 -13.5938 -13.5915 -13.5902 -13.5824 -13.5824 -10.8949 -10.8935 -10.0226 -10.0202 -6.0066 -6.0040 -5.1021 -5.0999 -1.3002 -1.2918 -0.5569 -0.5240 -0.1232 -0.0720 0.3511 0.3826 0.9292 1.0152 1.2845 1.2960 2.8145 2.8355 4.1558 4.1906 4.7992 4.8087 5.1943 5.2306 k = 0.2162 0.0379 0.6129 ( 8594 PWs) bands (ev): -16.1763 -16.1761 -16.1713 -16.1706 -16.1559 -16.1542 -16.1539 -16.1533 -13.6567 -13.6548 -13.6175 -13.6173 -13.5994 -13.5970 -13.5961 -13.5943 -13.5915 -13.5905 -13.5819 -13.5818 -10.9212 -10.9198 -10.0259 -10.0235 -5.9663 -5.9638 -5.0351 -5.0331 -1.3332 -1.3249 -0.6046 -0.5749 -0.1621 -0.1150 0.3146 0.3430 0.8902 0.9693 1.3113 1.3210 2.8037 2.8234 4.2482 4.2830 4.8575 4.8649 5.2145 5.2630 k = 0.2027 0.0355 0.5746 ( 8585 PWs) bands (ev): -16.1766 -16.1764 -16.1714 -16.1707 -16.1560 -16.1544 -16.1540 -16.1534 -13.6579 -13.6562 -13.6175 -13.6172 -13.5995 -13.5972 -13.5965 -13.5948 -13.5914 -13.5907 -13.5813 -13.5813 -10.9462 -10.9449 -10.0297 -10.0274 -5.9257 -5.9233 -4.9695 -4.9676 -1.3639 -1.3556 -0.6503 -0.6235 -0.1992 -0.1561 0.2775 0.3026 0.8490 0.9208 1.3406 1.3483 2.7911 2.8092 4.3436 4.3775 4.8926 4.9079 5.2433 5.3045 k = 0.1892 0.0331 0.5363 ( 8586 PWs) bands (ev): -16.1768 -16.1766 -16.1714 -16.1708 -16.1560 -16.1545 -16.1540 -16.1534 -13.6590 -13.6576 -13.6175 -13.6172 -13.5996 -13.5975 -13.5968 -13.5953 -13.5913 -13.5909 -13.5808 -13.5807 -10.9698 -10.9686 -10.0339 -10.0317 -5.8852 -5.8829 -4.9055 -4.9038 -1.3921 -1.3839 -0.6938 -0.6698 -0.2344 -0.1950 0.2402 0.2620 0.8076 0.8723 1.3698 1.3759 2.7774 2.7940 4.4393 4.4711 4.9114 4.9347 5.2876 5.3576 k = 0.1757 0.0308 0.4980 ( 8585 PWs) bands (ev): -16.1770 -16.1768 -16.1715 -16.1709 -16.1561 -16.1546 -16.1541 -16.1535 -13.6602 -13.6588 -13.6175 -13.6172 -13.5997 -13.5979 -13.5970 -13.5958 -13.5912 -13.5910 -13.5802 -13.5802 -10.9920 -10.9909 -10.0383 -10.0362 -5.8451 -5.8429 -4.8436 -4.8420 -1.4180 -1.4099 -0.7350 -0.7136 -0.2674 -0.2317 0.2029 0.2214 0.7671 0.8249 1.3978 1.4026 2.7635 2.7786 4.5319 4.5595 4.9220 4.9526 5.3439 5.4185 k = 0.1622 0.0284 0.4597 ( 8585 PWs) bands (ev): -16.1772 -16.1770 -16.1715 -16.1710 -16.1562 -16.1548 -16.1541 -16.1536 -13.6612 -13.6601 -13.6176 -13.6173 -13.5999 -13.5983 -13.5972 -13.5962 -13.5911 -13.5910 -13.5797 -13.5797 -11.0127 -11.0117 -10.0429 -10.0409 -5.8059 -5.8039 -4.7842 -4.7827 -1.4414 -1.4336 -0.7738 -0.7548 -0.2982 -0.2659 0.1661 0.1815 0.7282 0.7796 1.4240 1.4278 2.7499 2.7636 4.6153 4.6363 4.9341 4.9728 5.4058 5.4825 k = 0.1486 0.0260 0.4213 ( 8584 PWs) bands (ev): -16.1774 -16.1772 -16.1716 -16.1711 -16.1562 -16.1549 -16.1541 -16.1536 -13.6622 -13.6612 -13.6177 -13.6174 -13.6001 -13.5987 -13.5973 -13.5966 -13.5910 -13.5909 -13.5792 -13.5791 -11.0320 -11.0310 -10.0474 -10.0456 -5.7680 -5.7661 -4.7276 -4.7263 -1.4625 -1.4549 -0.8100 -0.7933 -0.3267 -0.2977 0.1301 0.1424 0.6916 0.7368 1.4479 1.4509 2.7372 2.7494 4.6803 4.6935 4.9596 5.0072 5.4686 5.5458 k = 0.1351 0.0237 0.3830 ( 8583 PWs) bands (ev): -16.1776 -16.1774 -16.1717 -16.1712 -16.1562 -16.1550 -16.1541 -16.1537 -13.6631 -13.6623 -13.6178 -13.6175 -13.6002 -13.5991 -13.5975 -13.5970 -13.5909 -13.5908 -13.5787 -13.5786 -11.0497 -11.0488 -10.0519 -10.0502 -5.7318 -5.7301 -4.6742 -4.6731 -1.4812 -1.4739 -0.8436 -0.8289 -0.3528 -0.3270 0.0951 0.1048 0.6574 0.6970 1.4693 1.4718 2.7254 2.7364 4.7185 4.7267 5.0079 5.0616 5.5291 5.6056 k = 0.1216 0.0213 0.3447 ( 8590 PWs) bands (ev): -16.1778 -16.1776 -16.1717 -16.1713 -16.1563 -16.1552 -16.1542 -16.1538 -13.6640 -13.6633 -13.6180 -13.6177 -13.6004 -13.5995 -13.5977 -13.5973 -13.5908 -13.5906 -13.5782 -13.5782 -11.0658 -11.0650 -10.0563 -10.0547 -5.6977 -5.6961 -4.6245 -4.6235 -1.4976 -1.4907 -0.8743 -0.8616 -0.3766 -0.3537 0.0617 0.0689 0.6262 0.6603 1.4883 1.4903 2.7150 2.7246 4.7334 4.7398 5.0769 5.1317 5.5852 5.6599 k = 0.1081 0.0189 0.3064 ( 8588 PWs) bands (ev): -16.1779 -16.1777 -16.1718 -16.1714 -16.1563 -16.1553 -16.1542 -16.1538 -13.6648 -13.6642 -13.6181 -13.6178 -13.6006 -13.5998 -13.5979 -13.5976 -13.5907 -13.5905 -13.5778 -13.5777 -11.0802 -11.0795 -10.0603 -10.0589 -5.6660 -5.6646 -4.5788 -4.5779 -1.5119 -1.5054 -0.9022 -0.8912 -0.3978 -0.3778 0.0301 0.0352 0.5979 0.6271 1.5048 1.5064 2.7058 2.7142 4.7352 4.7404 5.1565 5.2092 5.6356 5.7073 k = 0.0946 0.0166 0.2681 ( 8588 PWs) bands (ev): -16.1781 -16.1779 -16.1718 -16.1714 -16.1563 -16.1554 -16.1542 -16.1539 -13.6655 -13.6650 -13.6183 -13.6180 -13.6008 -13.6001 -13.5981 -13.5979 -13.5906 -13.5903 -13.5774 -13.5773 -11.0931 -11.0925 -10.0641 -10.0628 -5.6371 -5.6359 -4.5375 -4.5367 -1.5239 -1.5180 -0.9270 -0.9176 -0.4165 -0.3993 0.0007 0.0042 0.5729 0.5974 1.5189 1.5202 2.6980 2.7052 4.7309 4.7350 5.2388 5.2877 5.6794 5.7468 k = 0.0811 0.0142 0.2298 ( 8593 PWs) bands (ev): -16.1782 -16.1780 -16.1718 -16.1715 -16.1563 -16.1555 -16.1542 -16.1539 -13.6661 -13.6657 -13.6184 -13.6182 -13.6009 -13.6004 -13.5982 -13.5981 -13.5904 -13.5902 -13.5770 -13.5770 -11.1042 -11.1037 -10.0675 -10.0664 -5.6113 -5.6103 -4.5008 -4.5002 -1.5340 -1.5287 -0.9486 -0.9408 -0.4326 -0.4181 -0.0259 -0.0238 0.5511 0.5714 1.5307 1.5317 2.6915 2.6976 4.7241 4.7273 5.3189 5.3631 5.7161 5.7777 k = 0.0676 0.0118 0.1915 ( 8600 PWs) bands (ev): -16.1783 -16.1781 -16.1719 -16.1716 -16.1563 -16.1556 -16.1542 -16.1540 -13.6667 -13.6663 -13.6185 -13.6184 -13.6010 -13.6006 -13.5984 -13.5983 -13.5903 -13.5901 -13.5767 -13.5767 -11.1137 -11.1133 -10.0704 -10.0695 -5.5890 -5.5881 -4.4692 -4.4687 -1.5422 -1.5376 -0.9670 -0.9607 -0.4462 -0.4342 -0.0493 -0.0482 0.5328 0.5492 1.5404 1.5412 2.6863 2.6913 4.7167 4.7191 5.3938 5.4324 5.7454 5.7998 k = 0.0541 0.0095 0.1532 ( 8601 PWs) bands (ev): -16.1784 -16.1782 -16.1719 -16.1717 -16.1562 -16.1557 -16.1542 -16.1540 -13.6671 -13.6668 -13.6186 -13.6185 -13.6012 -13.6008 -13.5985 -13.5984 -13.5902 -13.5900 -13.5764 -13.5764 -11.1215 -11.1211 -10.0728 -10.0721 -5.5703 -5.5696 -4.4430 -4.4426 -1.5485 -1.5448 -0.9821 -0.9771 -0.4571 -0.4476 -0.0692 -0.0688 0.5180 0.5307 1.5480 1.5487 2.6822 2.6862 4.7097 4.7116 5.4611 5.4936 5.7677 5.8135 k = 0.0405 0.0071 0.1149 ( 8594 PWs) bands (ev): -16.1784 -16.1783 -16.1719 -16.1717 -16.1562 -16.1558 -16.1542 -16.1541 -13.6674 -13.6673 -13.6187 -13.6186 -13.6012 -13.6010 -13.5986 -13.5985 -13.5901 -13.5899 -13.5762 -13.5762 -11.1275 -11.1273 -10.0747 -10.0742 -5.5555 -5.5550 -4.4223 -4.4220 -1.5532 -1.5503 -0.9938 -0.9901 -0.4654 -0.4583 -0.0852 -0.0851 0.5067 0.5160 1.5538 1.5543 2.6793 2.6823 4.7039 4.7052 5.5187 5.5443 5.7835 5.8195 k = 0.0270 0.0047 0.0766 ( 8605 PWs) bands (ev): -16.1784 -16.1784 -16.1719 -16.1718 -16.1562 -16.1559 -16.1542 -16.1541 -13.6677 -13.6676 -13.6188 -13.6187 -13.6013 -13.6011 -13.5987 -13.5986 -13.5900 -13.5899 -13.5761 -13.5761 -11.1318 -11.1317 -10.0761 -10.0757 -5.5448 -5.5444 -4.4073 -4.4071 -1.5563 -1.5544 -1.0020 -0.9996 -0.4710 -0.4663 -0.0970 -0.0969 0.4990 0.5051 1.5579 1.5582 2.6774 2.6794 4.6996 4.7004 5.5644 5.5824 5.7942 5.8194 k = 0.0135 0.0024 0.0383 ( 8609 PWs) bands (ev): -16.1785 -16.1784 -16.1719 -16.1718 -16.1561 -16.1560 -16.1542 -16.1541 -13.6678 -13.6677 -13.6188 -13.6188 -13.6013 -13.6012 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1344 -11.1343 -10.0769 -10.0767 -5.5383 -5.5381 -4.3983 -4.3982 -1.5580 -1.5570 -1.0067 -1.0055 -0.4739 -0.4715 -0.1041 -0.1041 0.4950 0.4980 1.5603 1.5605 2.6765 2.6775 4.6970 4.6974 5.5955 5.6050 5.8019 5.8150 k = 0.0000 0.0000 0.0000 ( 8611 PWs) bands (ev): -16.1785 -16.1785 -16.1719 -16.1719 -16.1560 -16.1560 -16.1542 -16.1542 -13.6678 -13.6678 -13.6188 -13.6188 -13.6013 -13.6013 -13.5987 -13.5987 -13.5899 -13.5899 -13.5760 -13.5760 -11.1352 -11.1352 -10.0771 -10.0771 -5.5360 -5.5360 -4.3952 -4.3952 -1.5582 -1.5582 -1.0079 -1.0079 -0.4741 -0.4741 -0.1065 -0.1065 0.4946 0.4946 1.5612 1.5612 2.6765 2.6765 4.6962 4.6962 5.6096 5.6096 5.8087 5.8087 Writing output data file PbSe.save init_run : 3.91s CPU 12.01s WALL ( 1 calls) electrons : 1085.64s CPU 1094.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.41s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1085.61s CPU 1094.11s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.81s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.49s WALL ( 1 calls) newd : 0.22s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.19s WALL ( 370 calls) cegterg : 1020.67s CPU 1026.37s WALL ( 867 calls) Called by sum_band: Called by *egterg: h_psi : 686.20s CPU 695.15s WALL ( 15009 calls) s_psi : 24.29s CPU 24.89s WALL ( 15009 calls) g_psi : 1.32s CPU 1.32s WALL ( 13772 calls) cdiaghg : 213.99s CPU 211.28s WALL ( 14142 calls) cegterg:over : 66.95s CPU 63.37s WALL ( 13772 calls) cegterg:upda : 21.27s CPU 25.87s WALL ( 13772 calls) cegterg:last : 15.96s CPU 16.77s WALL ( 1977 calls) Called by h_psi: h_psi:vloc : 629.98s CPU 637.79s WALL ( 15009 calls) h_psi:vnl : 55.45s CPU 55.93s WALL ( 15009 calls) add_vuspsi : 16.59s CPU 20.91s WALL ( 15009 calls) General routines calbec : 38.80s CPU 34.88s WALL ( 15009 calls) fft : 0.50s CPU 1.73s WALL ( 19 calls) ffts : 0.05s CPU 0.08s WALL ( 4 calls) fftw : 585.67s CPU 589.59s WALL ( 1157144 calls) interpolate : 0.16s CPU 0.21s WALL ( 4 calls) davcio : 0.05s CPU 1.83s WALL ( 740 calls) Parallel routines fft_scatter : 249.26s CPU 249.50s WALL ( 1157167 calls) PWSCF : 19m24.31s CPU 22m45.40s WALL This run was terminated on: 22:43:16 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=