Program PWSCF v.5.1.1 starts on 25Oct2015 at 7:41: 7 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: ./Al2HgSe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 107 44 12 3547 932 141 Max 108 45 13 3550 959 143 Sum 5151 2129 603 170311 45363 6815 bravais-lattice index = 14 lattice parameter (alat) = 12.7212 a.u. unit-cell volume = 1187.6437 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.721241 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.639220 celldm(5)= -0.639220 celldm(6)= 0.278440 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.278440 0.960454 0.000000 ) a(3) = ( -0.639220 -0.480227 0.600650 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.289904 0.832432 ) b(2) = ( 0.000000 1.041175 0.832432 ) b(3) = ( 0.000000 0.000000 1.664864 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 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= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0213444), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0426888), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0640332), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0853776), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.1067220), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1280665), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1494109), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1707553), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1920997), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.2134441), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.2347885), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.2561329), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.2774773), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2988217), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.3201661), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.3415105), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.3628549), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.3841993), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.4055437), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.4268882), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.4482326), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.4695770), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.4909214), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.5122658), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.5336102), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.5549546), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.5762990), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.5976434), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.6189878), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.6403322), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.6616766), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.6830211), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.7043655), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.7257099), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.7470543), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.7683987), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.7897431), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.8110875), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.8324319), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.8324319), wk = 0.0036496 k( 42) = ( -0.0128274 0.0170743 0.8324319), wk = 0.0036496 k( 43) = ( -0.0256549 0.0341486 0.8324319), wk = 0.0036496 k( 44) = ( -0.0384823 0.0512230 0.8324319), wk = 0.0036496 k( 45) = ( -0.0513097 0.0682973 0.8324319), wk = 0.0036496 k( 46) = ( -0.0641371 0.0853716 0.8324319), wk = 0.0036496 k( 47) = ( -0.0769646 0.1024459 0.8324319), wk = 0.0036496 k( 48) = ( -0.0897920 0.1195203 0.8324319), wk = 0.0036496 k( 49) = ( -0.1026194 0.1365946 0.8324319), wk = 0.0036496 k( 50) = ( -0.1154469 0.1536689 0.8324319), wk = 0.0036496 k( 51) = ( -0.1282743 0.1707432 0.8324319), wk = 0.0036496 k( 52) = ( -0.1411017 0.1878175 0.8324319), wk = 0.0036496 k( 53) = ( -0.1411017 0.1878175 0.8324319), wk = 0.0036496 k( 54) = ( -0.1500742 0.1997606 0.8174940), wk = 0.0036496 k( 55) = ( -0.1590466 0.2117036 0.8025561), wk = 0.0036496 k( 56) = ( -0.1680191 0.2236467 0.7876182), wk = 0.0036496 k( 57) = ( -0.1769915 0.2355897 0.7726802), wk = 0.0036496 k( 58) = ( -0.1859640 0.2475328 0.7577423), wk = 0.0036496 k( 59) = ( -0.1949365 0.2594758 0.7428044), wk = 0.0036496 k( 60) = ( -0.2039089 0.2714189 0.7278665), wk = 0.0036496 k( 61) = ( -0.2128814 0.2833619 0.7129285), wk = 0.0036496 k( 62) = ( -0.2218538 0.2953050 0.6979906), wk = 0.0036496 k( 63) = ( -0.2308263 0.3072480 0.6830527), wk = 0.0036496 k( 64) = ( -0.2397987 0.3191911 0.6681148), wk = 0.0036496 k( 65) = ( -0.2487712 0.3311341 0.6531769), wk = 0.0036496 k( 66) = ( -0.2577437 0.3430772 0.6382390), wk = 0.0036496 k( 67) = ( -0.2667161 0.3550202 0.6233010), wk = 0.0036496 k( 68) = ( -0.2756886 0.3669633 0.6083631), wk = 0.0036496 k( 69) = ( -0.2846610 0.3789063 0.5934252), wk = 0.0036496 k( 70) = ( -0.2936335 0.3908494 0.5784873), wk = 0.0036496 k( 71) = ( -0.3026059 0.4027924 0.5635494), wk = 0.0036496 k( 72) = ( -0.3115784 0.4147355 0.5486114), wk = 0.0036496 k( 73) = ( -0.3205509 0.4266785 0.5336735), wk = 0.0036496 k( 74) = ( -0.3205509 0.4266785 0.5336735), wk = 0.0036496 k( 75) = ( -0.3116467 0.4148264 0.5188493), wk = 0.0036496 k( 76) = ( -0.3027425 0.4029742 0.5040250), wk = 0.0036496 k( 77) = ( -0.2938383 0.3911220 0.4892007), wk = 0.0036496 k( 78) = ( -0.2849341 0.3792698 0.4743765), wk = 0.0036496 k( 79) = ( -0.2760299 0.3674176 0.4595522), wk = 0.0036496 k( 80) = ( -0.2671257 0.3555654 0.4447279), wk = 0.0036496 k( 81) = ( -0.2582215 0.3437133 0.4299037), wk = 0.0036496 k( 82) = ( -0.2493173 0.3318611 0.4150794), wk = 0.0036496 k( 83) = ( -0.2404131 0.3200089 0.4002551), wk = 0.0036496 k( 84) = ( -0.2315089 0.3081567 0.3854309), wk = 0.0036496 k( 85) = ( -0.2226048 0.2963045 0.3706066), wk = 0.0036496 k( 86) = ( -0.2137006 0.2844524 0.3557823), wk = 0.0036496 k( 87) = ( -0.2047964 0.2726002 0.3409581), wk = 0.0036496 k( 88) = ( -0.1958922 0.2607480 0.3261338), wk = 0.0036496 k( 89) = ( -0.1869880 0.2488958 0.3113096), wk = 0.0036496 k( 90) = ( -0.1780838 0.2370436 0.2964853), wk = 0.0036496 k( 91) = ( -0.1691796 0.2251915 0.2816610), wk = 0.0036496 k( 92) = ( -0.1602754 0.2133393 0.2668368), wk = 0.0036496 k( 93) = ( -0.1513712 0.2014871 0.2520125), wk = 0.0036496 k( 94) = ( -0.1424671 0.1896349 0.2371882), wk = 0.0036496 k( 95) = ( -0.1335629 0.1777827 0.2223640), wk = 0.0036496 k( 96) = ( -0.1246587 0.1659305 0.2075397), wk = 0.0036496 k( 97) = ( -0.1157545 0.1540784 0.1927154), wk = 0.0036496 k( 98) = ( -0.1068503 0.1422262 0.1778912), wk = 0.0036496 k( 99) = ( -0.0979461 0.1303740 0.1630669), wk = 0.0036496 k( 100) = ( -0.0890419 0.1185218 0.1482426), wk = 0.0036496 k( 101) = ( -0.0801377 0.1066696 0.1334184), wk = 0.0036496 k( 102) = ( -0.0712335 0.0948174 0.1185941), wk = 0.0036496 k( 103) = ( -0.0623293 0.0829653 0.1037698), wk = 0.0036496 k( 104) = ( -0.0534251 0.0711131 0.0889456), wk = 0.0036496 k( 105) = ( -0.0445209 0.0592609 0.0741213), wk = 0.0036496 k( 106) = ( -0.0356168 0.0474087 0.0592971), wk = 0.0036496 k( 107) = ( -0.0267126 0.0355565 0.0444728), wk = 0.0036496 k( 108) = ( -0.0178084 0.0237044 0.0296485), wk = 0.0036496 k( 109) = ( -0.0089042 0.0118522 0.0148243), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0125212 0.0000000), wk = 0.0036496 k( 113) = ( 0.0333333 0.0250423 0.0000000), wk = 0.0036496 k( 114) = ( 0.0500000 0.0375635 0.0000000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0500847 0.0000000), wk = 0.0036496 k( 116) = ( 0.0833333 0.0626058 0.0000000), wk = 0.0036496 k( 117) = ( 0.1000000 0.0751270 0.0000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.0876482 0.0000000), wk = 0.0036496 k( 119) = ( 0.1333333 0.1001694 0.0000000), wk = 0.0036496 k( 120) = ( 0.1500000 0.1126905 0.0000000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1252117 0.0000000), wk = 0.0036496 k( 122) = ( 0.1833333 0.1377329 0.0000000), wk = 0.0036496 k( 123) = ( 0.2000000 0.1502540 0.0000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.1627752 0.0000000), wk = 0.0036496 k( 125) = ( 0.2333333 0.1752964 0.0000000), wk = 0.0036496 k( 126) = ( 0.2500000 0.1878175 0.0000000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2003387 0.0000000), wk = 0.0036496 k( 128) = ( 0.2833333 0.2128599 0.0000000), wk = 0.0036496 k( 129) = ( 0.3000000 0.2253810 0.0000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.2379022 0.0000000), wk = 0.0036496 k( 131) = ( 0.3333333 0.2504234 0.0000000), wk = 0.0036496 k( 132) = ( 0.3500000 0.2629446 0.0000000), wk = 0.0036496 k( 133) = ( 0.3666667 0.2754657 0.0000000), wk = 0.0036496 k( 134) = ( 0.3833333 0.2879869 0.0000000), wk = 0.0036496 k( 135) = ( 0.4000000 0.3005081 0.0000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.3130292 0.0000000), wk = 0.0036496 k( 137) = ( 0.4333333 0.3255504 0.0000000), wk = 0.0036496 k( 138) = ( 0.4500000 0.3380716 0.0000000), wk = 0.0036496 k( 139) = ( 0.4666667 0.3505927 0.0000000), wk = 0.0036496 k( 140) = ( 0.4833333 0.3631139 0.0000000), wk = 0.0036496 k( 141) = ( 0.5000000 0.3756351 0.0000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.3756351 0.0000000), wk = 0.0036496 k( 143) = ( 0.4910275 0.3875781 0.0149379), wk = 0.0036496 k( 144) = ( 0.4820551 0.3995212 0.0298758), wk = 0.0036496 k( 145) = ( 0.4730826 0.4114642 0.0448138), wk = 0.0036496 k( 146) = ( 0.4641102 0.4234073 0.0597517), wk = 0.0036496 k( 147) = ( 0.4551377 0.4353503 0.0746896), wk = 0.0036496 k( 148) = ( 0.4461653 0.4472934 0.0896275), wk = 0.0036496 k( 149) = ( 0.4371928 0.4592364 0.1045654), wk = 0.0036496 k( 150) = ( 0.4282203 0.4711795 0.1195034), wk = 0.0036496 k( 151) = ( 0.4192479 0.4831225 0.1344413), wk = 0.0036496 k( 152) = ( 0.4102754 0.4950656 0.1493792), wk = 0.0036496 k( 153) = ( 0.4013030 0.5070086 0.1643171), wk = 0.0036496 k( 154) = ( 0.3923305 0.5189517 0.1792550), wk = 0.0036496 k( 155) = ( 0.3833581 0.5308947 0.1941929), wk = 0.0036496 k( 156) = ( 0.3743856 0.5428378 0.2091309), wk = 0.0036496 k( 157) = ( 0.3654131 0.5547808 0.2240688), wk = 0.0036496 k( 158) = ( 0.3564407 0.5667239 0.2390067), wk = 0.0036496 k( 159) = ( 0.3474682 0.5786669 0.2539446), wk = 0.0036496 k( 160) = ( 0.3384958 0.5906100 0.2688825), wk = 0.0036496 k( 161) = ( 0.3295233 0.6025530 0.2838205), wk = 0.0036496 k( 162) = ( 0.3205509 0.6144961 0.2987584), wk = 0.0036496 k( 163) = ( 0.3205509 0.6144961 0.2987584), wk = 0.0036496 k( 164) = ( 0.3016949 0.6089720 0.3056677), wk = 0.0036496 k( 165) = ( 0.2828390 0.6034480 0.3125769), wk = 0.0036496 k( 166) = ( 0.2639831 0.5979239 0.3194862), wk = 0.0036496 k( 167) = ( 0.2451271 0.5923999 0.3263955), wk = 0.0036496 k( 168) = ( 0.2262712 0.5868759 0.3333047), wk = 0.0036496 k( 169) = ( 0.2074153 0.5813518 0.3402140), wk = 0.0036496 k( 170) = ( 0.1885593 0.5758278 0.3471233), wk = 0.0036496 k( 171) = ( 0.1697034 0.5703037 0.3540325), wk = 0.0036496 k( 172) = ( 0.1508475 0.5647797 0.3609418), wk = 0.0036496 k( 173) = ( 0.1319915 0.5592556 0.3678511), wk = 0.0036496 k( 174) = ( 0.1131356 0.5537316 0.3747603), wk = 0.0036496 k( 175) = ( 0.0942797 0.5482075 0.3816696), wk = 0.0036496 k( 176) = ( 0.0754237 0.5426835 0.3885789), wk = 0.0036496 k( 177) = ( 0.0565678 0.5371595 0.3954881), wk = 0.0036496 k( 178) = ( 0.0377119 0.5316354 0.4023974), wk = 0.0036496 k( 179) = ( 0.0188559 0.5261114 0.4093067), wk = 0.0036496 k( 180) = ( 0.0000000 0.5205873 0.4162160), wk = 0.0036496 k( 181) = ( 0.0000000 0.5205873 0.4162160), wk = 0.0036496 k( 182) = ( 0.0089286 0.5087027 0.4310808), wk = 0.0036496 k( 183) = ( 0.0178571 0.4968180 0.4459457), wk = 0.0036496 k( 184) = ( 0.0267857 0.4849334 0.4608105), wk = 0.0036496 k( 185) = ( 0.0357143 0.4730488 0.4756754), wk = 0.0036496 k( 186) = ( 0.0446429 0.4611641 0.4905402), wk = 0.0036496 k( 187) = ( 0.0535714 0.4492795 0.5054051), wk = 0.0036496 k( 188) = ( 0.0625000 0.4373949 0.5202699), wk = 0.0036496 k( 189) = ( 0.0714286 0.4255102 0.5351348), wk = 0.0036496 k( 190) = ( 0.0803571 0.4136256 0.5499996), wk = 0.0036496 k( 191) = ( 0.0892857 0.4017410 0.5648645), wk = 0.0036496 k( 192) = ( 0.0982143 0.3898563 0.5797294), wk = 0.0036496 k( 193) = ( 0.1071429 0.3779717 0.5945942), wk = 0.0036496 k( 194) = ( 0.1160714 0.3660871 0.6094591), wk = 0.0036496 k( 195) = ( 0.1250000 0.3542024 0.6243239), wk = 0.0036496 k( 196) = ( 0.1339286 0.3423178 0.6391888), wk = 0.0036496 k( 197) = ( 0.1428571 0.3304332 0.6540536), wk = 0.0036496 k( 198) = ( 0.1517857 0.3185485 0.6689185), wk = 0.0036496 k( 199) = ( 0.1607143 0.3066639 0.6837834), wk = 0.0036496 k( 200) = ( 0.1696429 0.2947792 0.6986482), wk = 0.0036496 k( 201) = ( 0.1785714 0.2828946 0.7135131), wk = 0.0036496 k( 202) = ( 0.1875000 0.2710100 0.7283779), wk = 0.0036496 k( 203) = ( 0.1964286 0.2591254 0.7432428), wk = 0.0036496 k( 204) = ( 0.2053571 0.2472407 0.7581076), wk = 0.0036496 k( 205) = ( 0.2142857 0.2353561 0.7729725), wk = 0.0036496 k( 206) = ( 0.2232143 0.2234714 0.7878373), wk = 0.0036496 k( 207) = ( 0.2321429 0.2115868 0.8027022), wk = 0.0036496 k( 208) = ( 0.2410714 0.1997022 0.8175671), wk = 0.0036496 k( 209) = ( 0.2500000 0.1878175 0.8324319), wk = 0.0036496 k( 210) = ( 0.2500000 0.1878175 0.8324319), wk = 0.0036496 k( 211) = ( 0.2631579 0.1977027 0.8200679), wk = 0.0036496 k( 212) = ( 0.2763158 0.2075878 0.8077040), wk = 0.0036496 k( 213) = ( 0.2894737 0.2174729 0.7953400), wk = 0.0036496 k( 214) = ( 0.3026316 0.2273581 0.7829761), wk = 0.0036496 k( 215) = ( 0.3157895 0.2372432 0.7706121), wk = 0.0036496 k( 216) = ( 0.3289474 0.2471283 0.7582482), wk = 0.0036496 k( 217) = ( 0.3421053 0.2570135 0.7458842), wk = 0.0036496 k( 218) = ( 0.3552632 0.2668986 0.7335203), wk = 0.0036496 k( 219) = ( 0.3684211 0.2767837 0.7211563), wk = 0.0036496 k( 220) = ( 0.3815789 0.2866689 0.7087924), wk = 0.0036496 k( 221) = ( 0.3947368 0.2965540 0.6964284), wk = 0.0036496 k( 222) = ( 0.4078947 0.3064391 0.6840645), wk = 0.0036496 k( 223) = ( 0.4210526 0.3163243 0.6717005), wk = 0.0036496 k( 224) = ( 0.4342105 0.3262094 0.6593365), wk = 0.0036496 k( 225) = ( 0.4473684 0.3360945 0.6469726), wk = 0.0036496 k( 226) = ( 0.4605263 0.3459797 0.6346086), wk = 0.0036496 k( 227) = ( 0.4736842 0.3558648 0.6222447), wk = 0.0036496 k( 228) = ( 0.4868421 0.3657500 0.6098807), wk = 0.0036496 k( 229) = ( 0.5000000 0.3756351 0.5975168), wk = 0.0036496 k( 230) = ( 0.5000000 0.3756351 0.5975168), wk = 0.0036496 k( 231) = ( 0.5000000 0.3756351 0.5761769), wk = 0.0036496 k( 232) = ( 0.5000000 0.3756351 0.5548370), wk = 0.0036496 k( 233) = ( 0.5000000 0.3756351 0.5334971), wk = 0.0036496 k( 234) = ( 0.5000000 0.3756351 0.5121572), wk = 0.0036496 k( 235) = ( 0.5000000 0.3756351 0.4908174), wk = 0.0036496 k( 236) = ( 0.5000000 0.3756351 0.4694775), wk = 0.0036496 k( 237) = ( 0.5000000 0.3756351 0.4481376), wk = 0.0036496 k( 238) = ( 0.5000000 0.3756351 0.4267977), wk = 0.0036496 k( 239) = ( 0.5000000 0.3756351 0.4054578), wk = 0.0036496 k( 240) = ( 0.5000000 0.3756351 0.3841179), wk = 0.0036496 k( 241) = ( 0.5000000 0.3756351 0.3627780), wk = 0.0036496 k( 242) = ( 0.5000000 0.3756351 0.3414381), wk = 0.0036496 k( 243) = ( 0.5000000 0.3756351 0.3200983), wk = 0.0036496 k( 244) = ( 0.5000000 0.3756351 0.2987584), wk = 0.0036496 k( 245) = ( 0.5000000 0.3756351 0.2774185), wk = 0.0036496 k( 246) = ( 0.5000000 0.3756351 0.2560786), wk = 0.0036496 k( 247) = ( 0.5000000 0.3756351 0.2347387), wk = 0.0036496 k( 248) = ( 0.5000000 0.3756351 0.2133988), wk = 0.0036496 k( 249) = ( 0.5000000 0.3756351 0.1920590), wk = 0.0036496 k( 250) = ( 0.5000000 0.3756351 0.1707191), wk = 0.0036496 k( 251) = ( 0.5000000 0.3756351 0.1493792), wk = 0.0036496 k( 252) = ( 0.5000000 0.3756351 0.1280393), wk = 0.0036496 k( 253) = ( 0.5000000 0.3756351 0.1066994), wk = 0.0036496 k( 254) = ( 0.5000000 0.3756351 0.0853595), wk = 0.0036496 k( 255) = ( 0.5000000 0.3756351 0.0640197), wk = 0.0036496 k( 256) = ( 0.5000000 0.3756351 0.0426798), wk = 0.0036496 k( 257) = ( 0.5000000 0.3756351 0.0213399), wk = 0.0036496 k( 258) = ( 0.5000000 0.3756351 0.0000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.8324319), wk = 0.0036496 k( 260) = ( 0.0166667 0.0125212 0.8324319), wk = 0.0036496 k( 261) = ( 0.0333333 0.0250423 0.8324319), wk = 0.0036496 k( 262) = ( 0.0500000 0.0375635 0.8324319), wk = 0.0036496 k( 263) = ( 0.0666667 0.0500847 0.8324319), wk = 0.0036496 k( 264) = ( 0.0833333 0.0626058 0.8324319), wk = 0.0036496 k( 265) = ( 0.1000000 0.0751270 0.8324319), wk = 0.0036496 k( 266) = ( 0.1166667 0.0876482 0.8324319), wk = 0.0036496 k( 267) = ( 0.1333333 0.1001694 0.8324319), wk = 0.0036496 k( 268) = ( 0.1500000 0.1126905 0.8324319), wk = 0.0036496 k( 269) = ( 0.1666667 0.1252117 0.8324319), wk = 0.0036496 k( 270) = ( 0.1833333 0.1377329 0.8324319), wk = 0.0036496 k( 271) = ( 0.2000000 0.1502540 0.8324319), wk = 0.0036496 k( 272) = ( 0.2166667 0.1627752 0.8324319), wk = 0.0036496 k( 273) = ( 0.2333333 0.1752964 0.8324319), wk = 0.0036496 k( 274) = ( 0.2500000 0.1878175 0.8324319), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 42) = ( -0.0128274 0.0128274 0.5000000), wk = 0.0036496 k( 43) = ( -0.0256549 0.0256549 0.5000000), wk = 0.0036496 k( 44) = ( -0.0384823 0.0384823 0.5000000), wk = 0.0036496 k( 45) = ( -0.0513097 0.0513097 0.5000000), wk = 0.0036496 k( 46) = ( -0.0641371 0.0641371 0.5000000), wk = 0.0036496 k( 47) = ( -0.0769646 0.0769646 0.5000000), wk = 0.0036496 k( 48) = ( -0.0897920 0.0897920 0.5000000), wk = 0.0036496 k( 49) = ( -0.1026194 0.1026194 0.5000000), wk = 0.0036496 k( 50) = ( -0.1154469 0.1154469 0.5000000), wk = 0.0036496 k( 51) = ( -0.1282743 0.1282743 0.5000000), wk = 0.0036496 k( 52) = ( -0.1411017 0.1411017 0.5000000), wk = 0.0036496 k( 53) = ( -0.1411017 0.1411017 0.5000000), wk = 0.0036496 k( 54) = ( -0.1500742 0.1500742 0.4910275), wk = 0.0036496 k( 55) = ( -0.1590466 0.1590466 0.4820551), wk = 0.0036496 k( 56) = ( -0.1680191 0.1680191 0.4730826), wk = 0.0036496 k( 57) = ( -0.1769915 0.1769915 0.4641102), wk = 0.0036496 k( 58) = ( -0.1859640 0.1859640 0.4551377), wk = 0.0036496 k( 59) = ( -0.1949365 0.1949365 0.4461653), wk = 0.0036496 k( 60) = ( -0.2039089 0.2039089 0.4371928), wk = 0.0036496 k( 61) = ( -0.2128814 0.2128814 0.4282203), wk = 0.0036496 k( 62) = ( -0.2218538 0.2218538 0.4192479), wk = 0.0036496 k( 63) = ( -0.2308263 0.2308263 0.4102754), wk = 0.0036496 k( 64) = ( -0.2397987 0.2397987 0.4013030), wk = 0.0036496 k( 65) = ( -0.2487712 0.2487712 0.3923305), wk = 0.0036496 k( 66) = ( -0.2577437 0.2577437 0.3833581), wk = 0.0036496 k( 67) = ( -0.2667161 0.2667161 0.3743856), wk = 0.0036496 k( 68) = ( -0.2756886 0.2756886 0.3654131), wk = 0.0036496 k( 69) = ( -0.2846610 0.2846610 0.3564407), wk = 0.0036496 k( 70) = ( -0.2936335 0.2936335 0.3474682), wk = 0.0036496 k( 71) = ( -0.3026059 0.3026059 0.3384958), wk = 0.0036496 k( 72) = ( -0.3115784 0.3115784 0.3295233), wk = 0.0036496 k( 73) = ( -0.3205509 0.3205509 0.3205509), wk = 0.0036496 k( 74) = ( -0.3205509 0.3205509 0.3205509), wk = 0.0036496 k( 75) = ( -0.3116467 0.3116467 0.3116467), wk = 0.0036496 k( 76) = ( -0.3027425 0.3027425 0.3027425), wk = 0.0036496 k( 77) = ( -0.2938383 0.2938383 0.2938383), wk = 0.0036496 k( 78) = ( -0.2849341 0.2849341 0.2849341), wk = 0.0036496 k( 79) = ( -0.2760299 0.2760299 0.2760299), wk = 0.0036496 k( 80) = ( -0.2671257 0.2671257 0.2671257), wk = 0.0036496 k( 81) = ( -0.2582215 0.2582215 0.2582215), wk = 0.0036496 k( 82) = ( -0.2493173 0.2493173 0.2493173), wk = 0.0036496 k( 83) = ( -0.2404131 0.2404131 0.2404131), wk = 0.0036496 k( 84) = ( -0.2315089 0.2315089 0.2315090), wk = 0.0036496 k( 85) = ( -0.2226048 0.2226048 0.2226048), wk = 0.0036496 k( 86) = ( -0.2137006 0.2137006 0.2137006), wk = 0.0036496 k( 87) = ( -0.2047964 0.2047964 0.2047964), wk = 0.0036496 k( 88) = ( -0.1958922 0.1958922 0.1958922), wk = 0.0036496 k( 89) = ( -0.1869880 0.1869880 0.1869880), wk = 0.0036496 k( 90) = ( -0.1780838 0.1780838 0.1780838), wk = 0.0036496 k( 91) = ( -0.1691796 0.1691796 0.1691796), wk = 0.0036496 k( 92) = ( -0.1602754 0.1602754 0.1602754), wk = 0.0036496 k( 93) = ( -0.1513712 0.1513712 0.1513712), wk = 0.0036496 k( 94) = ( -0.1424671 0.1424671 0.1424671), wk = 0.0036496 k( 95) = ( -0.1335629 0.1335629 0.1335629), wk = 0.0036496 k( 96) = ( -0.1246587 0.1246587 0.1246587), wk = 0.0036496 k( 97) = ( -0.1157545 0.1157545 0.1157545), wk = 0.0036496 k( 98) = ( -0.1068503 0.1068503 0.1068503), wk = 0.0036496 k( 99) = ( -0.0979461 0.0979461 0.0979461), wk = 0.0036496 k( 100) = ( -0.0890419 0.0890419 0.0890419), wk = 0.0036496 k( 101) = ( -0.0801377 0.0801377 0.0801377), wk = 0.0036496 k( 102) = ( -0.0712335 0.0712335 0.0712335), wk = 0.0036496 k( 103) = ( -0.0623293 0.0623293 0.0623293), wk = 0.0036496 k( 104) = ( -0.0534251 0.0534251 0.0534251), wk = 0.0036496 k( 105) = ( -0.0445209 0.0445209 0.0445210), wk = 0.0036496 k( 106) = ( -0.0356168 0.0356168 0.0356168), wk = 0.0036496 k( 107) = ( -0.0267126 0.0267126 0.0267126), wk = 0.0036496 k( 108) = ( -0.0178084 0.0178084 0.0178084), wk = 0.0036496 k( 109) = ( -0.0089042 0.0089042 0.0089042), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036496 k( 113) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036496 k( 114) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036496 k( 116) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036496 k( 117) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036496 k( 119) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036496 k( 120) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036496 k( 122) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036496 k( 123) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036496 k( 125) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036496 k( 126) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036496 k( 128) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036496 k( 129) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036496 k( 131) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036496 k( 132) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036496 k( 133) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036496 k( 134) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036496 k( 135) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036496 k( 137) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036496 k( 138) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036496 k( 139) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036496 k( 140) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036496 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 143) = ( 0.4910275 0.5089725 -0.4910275), wk = 0.0036496 k( 144) = ( 0.4820551 0.5179449 -0.4820551), wk = 0.0036496 k( 145) = ( 0.4730826 0.5269174 -0.4730826), wk = 0.0036496 k( 146) = ( 0.4641102 0.5358898 -0.4641102), wk = 0.0036496 k( 147) = ( 0.4551377 0.5448623 -0.4551377), wk = 0.0036496 k( 148) = ( 0.4461653 0.5538347 -0.4461653), wk = 0.0036496 k( 149) = ( 0.4371928 0.5628072 -0.4371928), wk = 0.0036496 k( 150) = ( 0.4282203 0.5717797 -0.4282203), wk = 0.0036496 k( 151) = ( 0.4192479 0.5807521 -0.4192479), wk = 0.0036496 k( 152) = ( 0.4102754 0.5897246 -0.4102754), wk = 0.0036496 k( 153) = ( 0.4013030 0.5986970 -0.4013030), wk = 0.0036496 k( 154) = ( 0.3923305 0.6076695 -0.3923305), wk = 0.0036496 k( 155) = ( 0.3833581 0.6166419 -0.3833581), wk = 0.0036496 k( 156) = ( 0.3743856 0.6256144 -0.3743856), wk = 0.0036496 k( 157) = ( 0.3654131 0.6345869 -0.3654131), wk = 0.0036496 k( 158) = ( 0.3564407 0.6435593 -0.3564407), wk = 0.0036496 k( 159) = ( 0.3474682 0.6525318 -0.3474682), wk = 0.0036496 k( 160) = ( 0.3384958 0.6615042 -0.3384958), wk = 0.0036496 k( 161) = ( 0.3295233 0.6704767 -0.3295233), wk = 0.0036496 k( 162) = ( 0.3205509 0.6794491 -0.3205509), wk = 0.0036496 k( 163) = ( 0.3205509 0.6794491 -0.3205509), wk = 0.0036496 k( 164) = ( 0.3016949 0.6688933 -0.3016949), wk = 0.0036496 k( 165) = ( 0.2828390 0.6583375 -0.2828390), wk = 0.0036496 k( 166) = ( 0.2639831 0.6477816 -0.2639831), wk = 0.0036496 k( 167) = ( 0.2451271 0.6372258 -0.2451271), wk = 0.0036496 k( 168) = ( 0.2262712 0.6266700 -0.2262712), wk = 0.0036496 k( 169) = ( 0.2074153 0.6161142 -0.2074153), wk = 0.0036496 k( 170) = ( 0.1885593 0.6055583 -0.1885593), wk = 0.0036496 k( 171) = ( 0.1697034 0.5950025 -0.1697034), wk = 0.0036496 k( 172) = ( 0.1508475 0.5844467 -0.1508475), wk = 0.0036496 k( 173) = ( 0.1319915 0.5738908 -0.1319915), wk = 0.0036496 k( 174) = ( 0.1131356 0.5633350 -0.1131356), wk = 0.0036496 k( 175) = ( 0.0942797 0.5527792 -0.0942797), wk = 0.0036496 k( 176) = ( 0.0754237 0.5422233 -0.0754237), wk = 0.0036496 k( 177) = ( 0.0565678 0.5316675 -0.0565678), wk = 0.0036496 k( 178) = ( 0.0377119 0.5211117 -0.0377119), wk = 0.0036496 k( 179) = ( 0.0188559 0.5105558 -0.0188559), wk = 0.0036496 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 182) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036496 k( 183) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036496 k( 184) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036496 k( 185) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036496 k( 186) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036496 k( 187) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036496 k( 188) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036496 k( 189) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036496 k( 190) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036496 k( 191) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036496 k( 192) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036496 k( 193) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036496 k( 194) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036496 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036496 k( 196) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036496 k( 197) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036496 k( 198) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036496 k( 199) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036496 k( 200) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036496 k( 201) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036496 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036496 k( 203) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036496 k( 204) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036496 k( 205) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036496 k( 206) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036496 k( 207) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036496 k( 208) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036496 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 211) = ( 0.2631579 0.2631579 0.2294157), wk = 0.0036496 k( 212) = ( 0.2763158 0.2763158 0.2088314), wk = 0.0036496 k( 213) = ( 0.2894737 0.2894737 0.1882471), wk = 0.0036496 k( 214) = ( 0.3026316 0.3026316 0.1676628), wk = 0.0036496 k( 215) = ( 0.3157895 0.3157895 0.1470785), wk = 0.0036496 k( 216) = ( 0.3289474 0.3289474 0.1264942), wk = 0.0036496 k( 217) = ( 0.3421053 0.3421053 0.1059099), wk = 0.0036496 k( 218) = ( 0.3552632 0.3552632 0.0853256), wk = 0.0036496 k( 219) = ( 0.3684211 0.3684211 0.0647413), wk = 0.0036496 k( 220) = ( 0.3815789 0.3815789 0.0441570), wk = 0.0036496 k( 221) = ( 0.3947368 0.3947368 0.0235727), wk = 0.0036496 k( 222) = ( 0.4078947 0.4078947 0.0029884), wk = 0.0036496 k( 223) = ( 0.4210526 0.4210526 -0.0175959), wk = 0.0036496 k( 224) = ( 0.4342105 0.4342105 -0.0381802), wk = 0.0036496 k( 225) = ( 0.4473684 0.4473684 -0.0587645), wk = 0.0036496 k( 226) = ( 0.4605263 0.4605263 -0.0793488), wk = 0.0036496 k( 227) = ( 0.4736842 0.4736842 -0.0999331), wk = 0.0036496 k( 228) = ( 0.4868421 0.4868421 -0.1205174), wk = 0.0036496 k( 229) = ( 0.5000000 0.5000000 -0.1411017), wk = 0.0036496 k( 230) = ( 0.5000000 0.5000000 -0.1411017), wk = 0.0036496 k( 231) = ( 0.5000000 0.5000000 -0.1539195), wk = 0.0036496 k( 232) = ( 0.5000000 0.5000000 -0.1667373), wk = 0.0036496 k( 233) = ( 0.5000000 0.5000000 -0.1795551), wk = 0.0036496 k( 234) = ( 0.5000000 0.5000000 -0.1923729), wk = 0.0036496 k( 235) = ( 0.5000000 0.5000000 -0.2051907), wk = 0.0036496 k( 236) = ( 0.5000000 0.5000000 -0.2180085), wk = 0.0036496 k( 237) = ( 0.5000000 0.5000000 -0.2308263), wk = 0.0036496 k( 238) = ( 0.5000000 0.5000000 -0.2436441), wk = 0.0036496 k( 239) = ( 0.5000000 0.5000000 -0.2564619), wk = 0.0036496 k( 240) = ( 0.5000000 0.5000000 -0.2692797), wk = 0.0036496 k( 241) = ( 0.5000000 0.5000000 -0.2820975), wk = 0.0036496 k( 242) = ( 0.5000000 0.5000000 -0.2949153), wk = 0.0036496 k( 243) = ( 0.5000000 0.5000000 -0.3077331), wk = 0.0036496 k( 244) = ( 0.5000000 0.5000000 -0.3205509), wk = 0.0036496 k( 245) = ( 0.5000000 0.5000000 -0.3333686), wk = 0.0036496 k( 246) = ( 0.5000000 0.5000000 -0.3461865), wk = 0.0036496 k( 247) = ( 0.5000000 0.5000000 -0.3590042), wk = 0.0036496 k( 248) = ( 0.5000000 0.5000000 -0.3718220), wk = 0.0036496 k( 249) = ( 0.5000000 0.5000000 -0.3846398), wk = 0.0036496 k( 250) = ( 0.5000000 0.5000000 -0.3974576), wk = 0.0036496 k( 251) = ( 0.5000000 0.5000000 -0.4102754), wk = 0.0036496 k( 252) = ( 0.5000000 0.5000000 -0.4230932), wk = 0.0036496 k( 253) = ( 0.5000000 0.5000000 -0.4359110), wk = 0.0036496 k( 254) = ( 0.5000000 0.5000000 -0.4487288), wk = 0.0036496 k( 255) = ( 0.5000000 0.5000000 -0.4615466), wk = 0.0036496 k( 256) = ( 0.5000000 0.5000000 -0.4743644), wk = 0.0036496 k( 257) = ( 0.5000000 0.5000000 -0.4871822), wk = 0.0036496 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 260) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036496 k( 261) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036496 k( 262) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036496 k( 263) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036496 k( 264) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036496 k( 265) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036496 k( 266) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036496 k( 267) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036496 k( 268) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036496 k( 269) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036496 k( 270) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036496 k( 271) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036496 k( 272) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036496 k( 273) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036496 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 Dense grid: 170311 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 45363 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 254, 50) NL pseudopotentials 0.25 Mb ( 127, 130) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3548) G-vector shells 0.01 Mb ( 1675) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 254, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2HgSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.7 secs Computing kpt #: 2 total cpu time spent up to now is 54.0 secs Computing kpt #: 3 total cpu time spent up to now is 58.5 secs Computing kpt #: 4 total cpu time spent up to now is 63.0 secs Computing kpt #: 5 total cpu time spent up to now is 67.2 secs Computing kpt #: 6 total cpu time spent up to now is 71.3 secs Computing kpt #: 7 total cpu time spent up to now is 75.2 secs Computing kpt #: 8 total cpu time spent up to now is 79.3 secs Computing kpt #: 9 total cpu time spent up to now is 83.4 secs Computing kpt #: 10 total cpu time spent up to now is 87.2 secs Computing kpt #: 11 total cpu time spent up to now is 91.1 secs Computing kpt #: 12 total cpu time spent up to now is 94.7 secs Computing kpt #: 13 total cpu time spent up to now is 98.4 secs Computing kpt #: 14 total cpu time spent up to now is 102.0 secs Computing kpt #: 15 total cpu time spent up to now is 105.9 secs Computing kpt #: 16 total cpu time spent up to now is 109.6 secs Computing kpt #: 17 total cpu time spent up to now is 113.2 secs Computing kpt #: 18 total cpu time spent up to now is 116.9 secs Computing kpt #: 19 total cpu time spent up to now is 120.8 secs Computing kpt #: 20 total cpu time spent up to now is 124.8 secs Computing kpt #: 21 total cpu time spent up to now is 128.8 secs Computing kpt #: 22 total cpu time spent up to now is 133.0 secs Computing kpt #: 23 total cpu time spent up to now is 136.7 secs Computing kpt #: 24 total cpu time spent up to now is 140.5 secs Computing kpt #: 25 total cpu time spent up to now is 144.3 secs Computing kpt #: 26 total cpu time spent up to now is 148.2 secs Computing kpt #: 27 total cpu time spent up to now is 151.8 secs Computing kpt #: 28 total cpu time spent up to now is 155.4 secs Computing kpt #: 29 total cpu time spent up to now is 159.0 secs Computing kpt #: 30 total cpu time spent up to now is 162.6 secs Computing kpt #: 31 total cpu time spent up to now is 166.3 secs Computing kpt #: 32 total cpu time spent up to now is 169.9 secs Computing kpt #: 33 total cpu time spent up to now is 173.5 secs Computing kpt #: 34 total cpu time spent up to now is 177.1 secs Computing kpt #: 35 total cpu time spent up to now is 180.7 secs Computing kpt #: 36 total cpu time spent up to now is 184.2 secs Computing kpt #: 37 total cpu time spent up to now is 187.8 secs Computing kpt #: 38 total cpu time spent up to now is 191.4 secs Computing kpt #: 39 total cpu time spent up to now is 194.9 secs Computing kpt #: 40 total cpu time spent up to now is 198.5 secs Computing kpt #: 41 total cpu time spent up to now is 202.0 secs Computing kpt #: 42 total cpu time spent up to now is 205.6 secs Computing kpt #: 43 total cpu time spent up to now is 209.2 secs Computing kpt #: 44 total cpu time spent up to now is 213.0 secs Computing kpt #: 45 total cpu time spent up to now is 216.8 secs Computing kpt #: 46 total cpu time spent up to now is 220.4 secs Computing kpt #: 47 total cpu time spent up to now is 224.2 secs Computing kpt #: 48 total cpu time spent up to now is 228.1 secs Computing kpt #: 49 total cpu time spent up to now is 232.0 secs Computing kpt #: 50 total cpu time spent up to now is 235.8 secs Computing kpt #: 51 total cpu time spent up to now is 239.8 secs Computing kpt #: 52 total cpu time spent up to now is 243.8 secs Computing kpt #: 53 total cpu time spent up to now is 247.9 secs Computing kpt #: 54 total cpu time spent up to now is 251.9 secs Computing kpt #: 55 total cpu time spent up to now is 256.0 secs Computing kpt #: 56 total cpu time spent up to now is 260.0 secs Computing kpt #: 57 total cpu time spent up to now is 264.1 secs Computing kpt #: 58 total cpu time spent up to now is 268.1 secs Computing kpt #: 59 total cpu time spent up to now is 271.9 secs Computing kpt #: 60 total cpu time spent up to now is 275.7 secs Computing kpt #: 61 total cpu time spent up to now is 279.5 secs Computing kpt #: 62 total cpu time spent up to now is 283.3 secs Computing kpt #: 63 total cpu time spent up to now is 287.0 secs Computing kpt #: 64 total cpu time spent up to now is 290.9 secs Computing kpt #: 65 total cpu time spent up to now is 294.6 secs Computing kpt #: 66 total cpu time spent up to now is 298.4 secs Computing kpt #: 67 total cpu time spent up to now is 302.2 secs Computing kpt #: 68 total cpu time spent up to now is 306.0 secs Computing kpt #: 69 total cpu time spent up to now is 309.8 secs Computing kpt #: 70 total cpu time spent up to now is 313.6 secs Computing kpt #: 71 total cpu time spent up to now is 317.2 secs Computing kpt #: 72 total cpu time spent up to now is 320.9 secs Computing kpt #: 73 total cpu time spent up to now is 324.7 secs Computing kpt #: 74 total cpu time spent up to now is 328.4 secs Computing kpt #: 75 total cpu time spent up to now is 332.1 secs Computing kpt #: 76 total cpu time spent up to now is 335.7 secs Computing kpt #: 77 total cpu time spent up to now is 339.4 secs Computing kpt #: 78 total cpu time spent up to now is 344.2 secs Computing kpt #: 79 total cpu time spent up to now is 349.4 secs Computing kpt #: 80 total cpu time spent up to now is 353.0 secs Computing kpt #: 81 total cpu time spent up to now is 356.7 secs Computing kpt #: 82 total cpu time spent up to now is 360.2 secs Computing kpt #: 83 total cpu time spent up to now is 363.8 secs Computing kpt #: 84 total cpu time spent up to now is 367.5 secs Computing kpt #: 85 total cpu time spent up to now is 371.2 secs Computing kpt #: 86 total cpu time spent up to now is 375.0 secs Computing kpt #: 87 total cpu time spent up to now is 378.9 secs Computing kpt #: 88 total cpu time spent up to now is 382.7 secs Computing kpt #: 89 total cpu time spent up to now is 386.8 secs Computing kpt #: 90 total cpu time spent up to now is 390.8 secs Computing kpt #: 91 total cpu time spent up to now is 394.9 secs Computing kpt #: 92 total cpu time spent up to now is 399.0 secs Computing kpt #: 93 total cpu time spent up to now is 402.8 secs Computing kpt #: 94 total cpu time spent up to now is 406.8 secs Computing kpt #: 95 total cpu time spent up to now is 410.5 secs Computing kpt #: 96 total cpu time spent up to now is 414.4 secs Computing kpt #: 97 total cpu time spent up to now is 418.2 secs Computing kpt #: 98 total cpu time spent up to now is 422.1 secs Computing kpt #: 99 total cpu time spent up to now is 426.0 secs Computing kpt #: 100 total cpu time spent up to now is 429.9 secs Computing kpt #: 101 total cpu time spent up to now is 433.8 secs Computing kpt #: 102 total cpu time spent up to now is 437.7 secs Computing kpt #: 103 total cpu time spent up to now is 441.7 secs Computing kpt #: 104 total cpu time spent up to now is 445.7 secs Computing kpt #: 105 total cpu time spent up to now is 450.0 secs Computing kpt #: 106 total cpu time spent up to now is 454.1 secs Computing kpt #: 107 total cpu time spent up to now is 459.0 secs Computing kpt #: 108 total cpu time spent up to now is 464.2 secs Computing kpt #: 109 total cpu time spent up to now is 469.4 secs Computing kpt #: 110 total cpu time spent up to now is 474.2 secs Computing kpt #: 111 total cpu time spent up to now is 479.3 secs Computing kpt #: 112 total cpu time spent up to now is 484.3 secs Computing kpt #: 113 total cpu time spent up to now is 489.4 secs Computing kpt #: 114 total cpu time spent up to now is 494.5 secs Computing kpt #: 115 total cpu time spent up to now is 499.6 secs Computing kpt #: 116 total cpu time spent up to now is 503.7 secs Computing kpt #: 117 total cpu time spent up to now is 507.6 secs Computing kpt #: 118 total cpu time spent up to now is 511.5 secs Computing kpt #: 119 total cpu time spent up to now is 515.3 secs Computing kpt #: 120 total cpu time spent up to now is 519.2 secs Computing kpt #: 121 total cpu time spent up to now is 523.0 secs Computing kpt #: 122 total cpu time spent up to now is 526.9 secs Computing kpt #: 123 total cpu time spent up to now is 530.6 secs Computing kpt #: 124 total cpu time spent up to now is 534.3 secs Computing kpt #: 125 total cpu time spent up to now is 538.1 secs Computing kpt #: 126 total cpu time spent up to now is 541.8 secs Computing kpt #: 127 total cpu time spent up to now is 545.6 secs Computing kpt #: 128 total cpu time spent up to now is 549.6 secs Computing kpt #: 129 total cpu time spent up to now is 553.4 secs Computing kpt #: 130 total cpu time spent up to now is 557.1 secs Computing kpt #: 131 total cpu time spent up to now is 560.8 secs Computing kpt #: 132 total cpu time spent up to now is 564.4 secs Computing kpt #: 133 total cpu time spent up to now is 568.1 secs Computing kpt #: 134 total cpu time spent up to now is 571.7 secs Computing kpt #: 135 total cpu time spent up to now is 575.5 secs Computing kpt #: 136 total cpu time spent up to now is 579.2 secs Computing kpt #: 137 total cpu time spent up to now is 582.9 secs Computing kpt #: 138 total cpu time spent up to now is 586.6 secs Computing kpt #: 139 total cpu time spent up to now is 590.3 secs Computing kpt #: 140 total cpu time spent up to now is 593.9 secs Computing kpt #: 141 total cpu time spent up to now is 597.3 secs Computing kpt #: 142 total cpu time spent up to now is 600.9 secs Computing kpt #: 143 total cpu time spent up to now is 604.4 secs Computing kpt #: 144 total cpu time spent up to now is 608.0 secs Computing kpt #: 145 total cpu time spent up to now is 611.6 secs Computing kpt #: 146 total cpu time spent up to now is 615.3 secs Computing kpt #: 147 total cpu time spent up to now is 619.0 secs Computing kpt #: 148 total cpu time spent up to now is 622.6 secs Computing kpt #: 149 total cpu time spent up to now is 626.3 secs Computing kpt #: 150 total cpu time spent up to now is 630.1 secs Computing kpt #: 151 total cpu time spent up to now is 634.1 secs Computing kpt #: 152 total cpu time spent up to now is 637.9 secs Computing kpt #: 153 total cpu time spent up to now is 641.8 secs Computing kpt #: 154 total cpu time spent up to now is 648.1 secs Computing kpt #: 155 total cpu time spent up to now is 652.1 secs Computing kpt #: 156 total cpu time spent up to now is 655.9 secs Computing kpt #: 157 total cpu time spent up to now is 659.7 secs Computing kpt #: 158 total cpu time spent up to now is 663.5 secs Computing kpt #: 159 total cpu time spent up to now is 667.2 secs Computing kpt #: 160 total cpu time spent up to now is 671.1 secs Computing kpt #: 161 total cpu time spent up to now is 674.8 secs Computing kpt #: 162 total cpu time spent up to now is 678.5 secs Computing kpt #: 163 total cpu time spent up to now is 682.2 secs Computing kpt #: 164 total cpu time spent up to now is 685.9 secs Computing kpt #: 165 total cpu time spent up to now is 689.6 secs Computing kpt #: 166 total cpu time spent up to now is 693.2 secs Computing kpt #: 167 total cpu time spent up to now is 696.9 secs Computing kpt #: 168 total cpu time spent up to now is 700.5 secs Computing kpt #: 169 total cpu time spent up to now is 704.0 secs Computing kpt #: 170 total cpu time spent up to now is 707.6 secs Computing kpt #: 171 total cpu time spent up to now is 711.2 secs Computing kpt #: 172 total cpu time spent up to now is 714.8 secs Computing kpt #: 173 total cpu time spent up to now is 718.2 secs Computing kpt #: 174 total cpu time spent up to now is 721.8 secs Computing kpt #: 175 total cpu time spent up to now is 725.5 secs Computing kpt #: 176 total cpu time spent up to now is 729.1 secs Computing kpt #: 177 total cpu time spent up to now is 732.6 secs Computing kpt #: 178 total cpu time spent up to now is 736.2 secs Computing kpt #: 179 total cpu time spent up to now is 739.7 secs Computing kpt #: 180 total cpu time spent up to now is 743.3 secs Computing kpt #: 181 total cpu time spent up to now is 746.8 secs Computing kpt #: 182 total cpu time spent up to now is 750.6 secs Computing kpt #: 183 total cpu time spent up to now is 754.2 secs Computing kpt #: 184 total cpu time spent up to now is 757.8 secs Computing kpt #: 185 total cpu time spent up to now is 761.5 secs Computing kpt #: 186 total cpu time spent up to now is 765.2 secs Computing kpt #: 187 total cpu time spent up to now is 768.9 secs Computing kpt #: 188 total cpu time spent up to now is 772.6 secs Computing kpt #: 189 total cpu time spent up to now is 776.4 secs Computing kpt #: 190 total cpu time spent up to now is 780.1 secs Computing kpt #: 191 total cpu time spent up to now is 783.9 secs Computing kpt #: 192 total cpu time spent up to now is 788.2 secs Computing kpt #: 193 total cpu time spent up to now is 792.2 secs Computing kpt #: 194 total cpu time spent up to now is 796.3 secs Computing kpt #: 195 total cpu time spent up to now is 800.5 secs Computing kpt #: 196 total cpu time spent up to now is 804.6 secs Computing kpt #: 197 total cpu time spent up to now is 808.7 secs Computing kpt #: 198 total cpu time spent up to now is 812.7 secs Computing kpt #: 199 total cpu time spent up to now is 816.8 secs Computing kpt #: 200 total cpu time spent up to now is 820.7 secs Computing kpt #: 201 total cpu time spent up to now is 824.7 secs Computing kpt #: 202 total cpu time spent up to now is 828.6 secs Computing kpt #: 203 total cpu time spent up to now is 832.4 secs Computing kpt #: 204 total cpu time spent up to now is 836.1 secs Computing kpt #: 205 total cpu time spent up to now is 840.0 secs Computing kpt #: 206 total cpu time spent up to now is 843.6 secs Computing kpt #: 207 total cpu time spent up to now is 847.3 secs Computing kpt #: 208 total cpu time spent up to now is 850.9 secs Computing kpt #: 209 total cpu time spent up to now is 854.5 secs Computing kpt #: 210 total cpu time spent up to now is 858.2 secs Computing kpt #: 211 total cpu time spent up to now is 861.8 secs Computing kpt #: 212 total cpu time spent up to now is 865.4 secs Computing kpt #: 213 total cpu time spent up to now is 869.0 secs Computing kpt #: 214 total cpu time spent up to now is 872.7 secs Computing kpt #: 215 total cpu time spent up to now is 876.4 secs Computing kpt #: 216 total cpu time spent up to now is 880.0 secs Computing kpt #: 217 total cpu time spent up to now is 884.0 secs Computing kpt #: 218 total cpu time spent up to now is 887.7 secs Computing kpt #: 219 total cpu time spent up to now is 891.7 secs Computing kpt #: 220 total cpu time spent up to now is 895.6 secs Computing kpt #: 221 total cpu time spent up to now is 899.6 secs Computing kpt #: 222 total cpu time spent up to now is 903.5 secs Computing kpt #: 223 total cpu time spent up to now is 907.4 secs Computing kpt #: 224 total cpu time spent up to now is 911.4 secs Computing kpt #: 225 total cpu time spent up to now is 915.3 secs Computing kpt #: 226 total cpu time spent up to now is 919.3 secs Computing kpt #: 227 total cpu time spent up to now is 923.3 secs Computing kpt #: 228 total cpu time spent up to now is 927.3 secs Computing kpt #: 229 total cpu time spent up to now is 931.3 secs Computing kpt #: 230 total cpu time spent up to now is 935.3 secs Computing kpt #: 231 total cpu time spent up to now is 939.4 secs Computing kpt #: 232 total cpu time spent up to now is 944.4 secs Computing kpt #: 233 total cpu time spent up to now is 950.3 secs Computing kpt #: 234 total cpu time spent up to now is 954.2 secs Computing kpt #: 235 total cpu time spent up to now is 957.9 secs Computing kpt #: 236 total cpu time spent up to now is 961.7 secs Computing kpt #: 237 total cpu time spent up to now is 965.4 secs Computing kpt #: 238 total cpu time spent up to now is 969.2 secs Computing kpt #: 239 total cpu time spent up to now is 973.0 secs Computing kpt #: 240 total cpu time spent up to now is 976.8 secs Computing kpt #: 241 total cpu time spent up to now is 980.6 secs Computing kpt #: 242 total cpu time spent up to now is 984.4 secs Computing kpt #: 243 total cpu time spent up to now is 988.1 secs Computing kpt #: 244 total cpu time spent up to now is 991.9 secs Computing kpt #: 245 total cpu time spent up to now is 995.6 secs Computing kpt #: 246 total cpu time spent up to now is 999.3 secs Computing kpt #: 247 total cpu time spent up to now is 1003.0 secs Computing kpt #: 248 total cpu time spent up to now is 1006.7 secs Computing kpt #: 249 total cpu time spent up to now is 1010.4 secs Computing kpt #: 250 total cpu time spent up to now is 1014.2 secs Computing kpt #: 251 total cpu time spent up to now is 1017.9 secs Computing kpt #: 252 total cpu time spent up to now is 1021.8 secs Computing kpt #: 253 total cpu time spent up to now is 1025.4 secs Computing kpt #: 254 total cpu time spent up to now is 1029.1 secs Computing kpt #: 255 total cpu time spent up to now is 1032.7 secs Computing kpt #: 256 total cpu time spent up to now is 1036.4 secs Computing kpt #: 257 total cpu time spent up to now is 1040.0 secs Computing kpt #: 258 total cpu time spent up to now is 1043.6 secs Computing kpt #: 259 total cpu time spent up to now is 1047.1 secs Computing kpt #: 260 total cpu time spent up to now is 1050.7 secs Computing kpt #: 261 total cpu time spent up to now is 1054.4 secs Computing kpt #: 262 total cpu time spent up to now is 1058.0 secs Computing kpt #: 263 total cpu time spent up to now is 1061.6 secs Computing kpt #: 264 total cpu time spent up to now is 1065.2 secs Computing kpt #: 265 total cpu time spent up to now is 1068.9 secs Computing kpt #: 266 total cpu time spent up to now is 1072.5 secs Computing kpt #: 267 total cpu time spent up to now is 1076.1 secs Computing kpt #: 268 total cpu time spent up to now is 1079.7 secs Computing kpt #: 269 total cpu time spent up to now is 1083.3 secs Computing kpt #: 270 total cpu time spent up to now is 1086.9 secs Computing kpt #: 271 total cpu time spent up to now is 1090.5 secs Computing kpt #: 272 total cpu time spent up to now is 1094.2 secs Computing kpt #: 273 total cpu time spent up to now is 1097.8 secs Computing kpt #: 274 total cpu time spent up to now is 1101.4 secs ethr = 2.38E-11, avg # of iterations = 41.2 total cpu time spent up to now is 1101.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -8.3105 -8.3105 -7.0697 -7.0697 -7.0651 -7.0651 -6.9917 -6.9917 -2.2186 -2.2186 -2.2131 -2.2131 -0.9998 -0.9998 -0.6270 -0.6270 -0.5284 -0.5284 -0.1642 -0.1642 0.0418 0.0418 1.5143 1.5143 1.6405 1.6405 1.7054 1.7054 1.8133 1.8133 2.6870 2.6870 3.2632 3.2632 3.2724 3.2724 4.4518 4.4518 4.7989 4.7989 4.8855 4.8855 6.4543 6.4543 7.9025 7.9025 8.3694 8.3694 10.1753 10.1753 k = 0.0000 0.0000 0.0213 ( 5655 PWs) bands (ev): -8.3098 -8.3098 -7.0703 -7.0702 -7.0657 -7.0656 -6.9916 -6.9916 -2.2198 -2.2184 -2.2132 -2.2122 -1.0053 -0.9933 -0.6324 -0.6217 -0.5325 -0.5251 -0.1728 -0.1573 0.0404 0.0450 1.5000 1.5174 1.6192 1.6625 1.6935 1.7205 1.8017 1.8382 2.6838 2.6877 3.2616 3.2646 3.2700 3.2774 4.4476 4.4518 4.7943 4.7960 4.8780 4.8819 6.4640 6.4651 7.9052 7.9063 8.3716 8.3754 10.1690 10.1746 k = 0.0000 0.0000 0.0427 ( 5664 PWs) bands (ev): -8.3075 -8.3075 -7.0720 -7.0718 -7.0673 -7.0671 -6.9916 -6.9915 -2.2213 -2.2195 -2.2122 -2.2111 -1.0096 -0.9859 -0.6377 -0.6165 -0.5374 -0.5228 -0.1826 -0.1522 0.0406 0.0496 1.4794 1.5089 1.5978 1.6764 1.6870 1.7416 1.8097 1.8701 2.6779 2.6857 3.2582 3.2609 3.2770 3.2850 4.4386 4.4476 4.7799 4.7848 4.8628 4.8693 6.4932 6.4956 7.9142 7.9162 8.3820 8.3895 10.1544 10.1650 k = 0.0000 0.0000 0.0640 ( 5650 PWs) bands (ev): -8.3039 -8.3038 -7.0749 -7.0746 -7.0698 -7.0695 -6.9915 -6.9913 -2.2229 -2.2213 -2.2106 -2.2100 -1.0127 -0.9775 -0.6431 -0.6114 -0.5430 -0.5213 -0.1933 -0.1492 0.0422 0.0552 1.4575 1.4936 1.5763 1.6529 1.7137 1.7653 1.8358 1.9063 2.6692 2.6806 3.2506 3.2576 3.2892 3.2975 4.4235 4.4385 4.7506 4.7620 4.8477 4.8543 6.5396 6.5435 7.9291 7.9319 8.4008 8.4118 10.1289 10.1448 k = 0.0000 0.0000 0.0854 ( 5654 PWs) bands (ev): -8.2987 -8.2986 -7.0790 -7.0786 -7.0730 -7.0728 -6.9914 -6.9912 -2.2246 -2.2233 -2.2095 -2.2085 -1.0146 -0.9684 -0.6482 -0.6066 -0.5489 -0.5207 -0.2046 -0.1484 0.0447 0.0611 1.4373 1.4763 1.5555 1.6263 1.7406 1.7892 1.8735 1.9458 2.6572 2.6722 3.2429 3.2536 3.3058 3.3149 4.4002 4.4229 4.7070 4.7275 4.8363 4.8421 6.5999 6.6055 7.9494 7.9529 8.4280 8.4425 10.0941 10.1153 k = 0.0000 0.0000 0.1067 ( 5660 PWs) bands (ev): -8.2921 -8.2920 -7.0843 -7.0838 -7.0770 -7.0767 -6.9915 -6.9911 -2.2264 -2.2252 -2.2089 -2.2066 -1.0152 -0.9586 -0.6532 -0.6021 -0.5550 -0.5209 -0.2161 -0.1496 0.0472 0.0664 1.4204 1.4593 1.5369 1.5993 1.7658 1.8125 1.9181 1.9882 2.6416 2.6602 3.2369 3.2501 3.3264 3.3367 4.3663 4.3984 4.6560 4.6865 4.8273 4.8328 6.6706 6.6782 7.9744 7.9785 8.4638 8.4816 10.0537 10.0786 k = 0.0000 0.0000 0.1281 ( 5660 PWs) bands (ev): -8.2840 -8.2839 -7.0907 -7.0901 -7.0816 -7.0813 -6.9917 -6.9913 -2.2286 -2.2269 -2.2085 -2.2046 -1.0144 -0.9483 -0.6579 -0.5982 -0.5608 -0.5217 -0.2280 -0.1527 0.0491 0.0704 1.4073 1.4432 1.5227 1.5740 1.7881 1.8344 1.9668 2.0334 2.6222 2.6446 3.2340 3.2489 3.3505 3.3623 4.3195 4.3617 4.6055 4.6454 4.8190 4.8249 6.7487 6.7584 8.0032 8.0083 8.5081 8.5289 10.0101 10.0371 k = 0.0000 0.0000 0.1494 ( 5666 PWs) bands (ev): -8.2745 -8.2744 -7.0982 -7.0975 -7.0868 -7.0866 -6.9922 -6.9916 -2.2309 -2.2283 -2.2084 -2.2026 -1.0122 -0.9374 -0.6623 -0.5955 -0.5657 -0.5230 -0.2400 -0.1576 0.0496 0.0721 1.3968 1.4278 1.5151 1.5528 1.8068 1.8536 2.0182 2.0810 2.5995 2.6258 3.2355 3.2512 3.3773 3.3910 4.2594 4.3105 4.5611 4.6079 4.8106 4.8172 6.8312 6.8433 8.0352 8.0415 8.5604 8.5843 9.9649 9.9930 k = 0.0000 0.0000 0.1708 ( 5668 PWs) bands (ev): -8.2637 -8.2635 -7.1065 -7.1057 -7.0927 -7.0925 -6.9930 -6.9922 -2.2333 -2.2296 -2.2084 -2.2007 -1.0086 -0.9261 -0.6661 -0.5949 -0.5685 -0.5247 -0.2521 -0.1640 0.0481 0.0708 1.3855 1.4137 1.5156 1.5396 1.8212 1.8689 2.0713 2.1305 2.5743 2.6047 3.2420 3.2582 3.4057 3.4222 4.1878 4.2464 4.5242 4.5748 4.8016 4.8092 6.9159 6.9304 8.0699 8.0778 8.6199 8.6469 9.9192 9.9480 k = 0.0000 0.0000 0.1921 ( 5652 PWs) bands (ev): -8.2514 -8.2512 -7.1157 -7.1147 -7.0992 -7.0990 -6.9942 -6.9931 -2.2357 -2.2308 -2.2086 -2.1988 -1.0035 -0.9146 -0.6695 -0.5971 -0.5685 -0.5268 -0.2644 -0.1721 0.0442 0.0661 1.3699 1.4005 1.5237 1.5399 1.8306 1.8791 2.1255 2.1814 2.5484 2.5830 3.2538 3.2703 3.4344 3.4553 4.1081 4.1739 4.4927 4.5449 4.7920 4.8005 7.0009 7.0177 8.1070 8.1166 8.6854 8.7156 9.8740 9.9034 k = 0.0000 0.0000 0.2134 ( 5656 PWs) bands (ev): -8.2378 -8.2376 -7.1256 -7.1244 -7.1063 -7.1061 -6.9957 -6.9945 -2.2379 -2.2321 -2.2089 -2.1969 -0.9971 -0.9029 -0.6722 -0.6014 -0.5663 -0.5291 -0.2769 -0.1816 0.0377 0.0577 1.3508 1.3854 1.5397 1.5563 1.8343 1.8830 2.1804 2.2330 2.5239 2.5629 3.2704 3.2875 3.4617 3.4893 4.0237 4.0985 4.4639 4.5166 4.7817 4.7912 7.0847 7.1036 8.1462 8.1575 8.7554 8.7890 9.8301 9.8605 k = 0.0000 0.0000 0.2348 ( 5652 PWs) bands (ev): -8.2229 -8.2226 -7.1362 -7.1348 -7.1139 -7.1137 -6.9976 -6.9962 -2.2401 -2.2333 -2.2093 -2.1951 -0.9892 -0.8910 -0.6743 -0.6068 -0.5630 -0.5315 -0.2894 -0.1926 0.0284 0.0456 1.3298 1.3671 1.5667 1.5849 1.8316 1.8797 2.2354 2.2840 2.5033 2.5472 3.2912 3.3092 3.4852 3.5229 3.9384 4.0255 4.4360 4.4887 4.7709 4.7812 7.1660 7.1868 8.1874 8.2000 8.8275 8.8647 9.7886 9.8205 k = 0.0000 0.0000 0.2561 ( 5648 PWs) bands (ev): -8.2068 -8.2064 -7.1474 -7.1458 -7.1220 -7.1217 -7.0000 -6.9983 -2.2421 -2.2345 -2.2096 -2.1934 -0.9800 -0.8792 -0.6756 -0.6125 -0.5593 -0.5341 -0.3021 -0.2050 0.0164 0.0302 1.3082 1.3467 1.6044 1.6227 1.8225 1.8685 2.2895 2.3327 2.4890 2.5390 3.3148 3.3346 3.5017 3.5533 3.8567 3.9604 4.4081 4.4604 4.7595 4.7706 7.2440 7.2663 8.2303 8.2437 8.8989 8.9398 9.7507 9.7849 k = 0.0000 0.0000 0.2775 ( 5648 PWs) bands (ev): -8.1894 -8.1890 -7.1590 -7.1573 -7.1305 -7.1302 -7.0029 -7.0010 -2.2440 -2.2358 -2.2100 -2.1918 -0.9694 -0.8676 -0.6762 -0.6183 -0.5556 -0.5365 -0.3148 -0.2189 0.0019 0.0117 1.2863 1.3250 1.6502 1.6678 1.8090 1.8498 2.3404 2.3761 2.4839 2.5422 3.3388 3.3622 3.5079 3.5740 3.7869 3.9091 4.3799 4.4316 4.7478 4.7596 7.3182 7.3414 8.2743 8.2882 8.9659 9.0102 9.7181 9.7560 k = 0.0000 0.0000 0.2988 ( 5646 PWs) bands (ev): -8.1708 -8.1703 -7.1712 -7.1693 -7.1394 -7.1390 -7.0062 -7.0041 -2.2456 -2.2371 -2.2102 -2.1903 -0.9575 -0.8562 -0.6760 -0.6239 -0.5525 -0.5385 -0.3276 -0.2341 -0.0149 -0.0093 1.2641 1.3025 1.6971 1.7162 1.7995 1.8259 2.3830 2.4104 2.4930 2.5605 3.3582 3.3895 3.5041 3.5711 3.7461 3.8763 4.3517 4.4022 4.7358 4.7481 7.3880 7.4117 8.3189 8.3328 9.0238 9.0710 9.6934 9.7366 k = 0.0000 0.0000 0.3202 ( 5644 PWs) bands (ev): -8.1511 -8.1505 -7.1836 -7.1816 -7.1486 -7.1481 -7.0101 -7.0078 -2.2471 -2.2385 -2.2104 -2.1889 -0.9444 -0.8451 -0.6750 -0.6294 -0.5512 -0.5389 -0.3402 -0.2504 -0.0336 -0.0320 1.2411 1.2793 1.7153 1.7564 1.8101 1.8231 2.4103 2.4341 2.5222 2.5940 3.3622 3.4085 3.5007 3.5431 3.7436 3.8615 4.3245 4.3728 4.7237 4.7364 7.4534 7.4768 8.3636 8.3770 9.0676 9.1162 9.6794 9.7298 k = 0.0000 0.0000 0.3415 ( 5640 PWs) bands (ev): -8.1304 -8.1297 -7.1964 -7.1942 -7.1580 -7.1575 -7.0146 -7.0121 -2.2483 -2.2399 -2.2105 -2.1877 -0.9302 -0.8345 -0.6733 -0.6345 -0.5525 -0.5371 -0.3526 -0.2679 -0.0569 -0.0531 1.2167 1.2550 1.6990 1.7431 1.8546 1.8817 2.4240 2.4503 2.5679 2.6379 3.3414 3.3993 3.5117 3.5290 3.7615 3.8590 4.2996 4.3444 4.7115 4.7244 7.5142 7.5364 8.4073 8.4201 9.0931 9.1410 9.6783 9.7374 k = 0.0000 0.0000 0.3629 ( 5646 PWs) bands (ev): -8.1086 -8.1078 -7.2094 -7.2071 -7.1676 -7.1670 -7.0196 -7.0170 -2.2493 -2.2414 -2.2104 -2.1866 -0.9149 -0.8245 -0.6710 -0.6394 -0.5555 -0.5340 -0.3646 -0.2862 -0.0822 -0.0740 1.1899 1.2291 1.6743 1.7097 1.9235 1.9543 2.4303 2.4623 2.6210 2.6865 3.3037 3.3597 3.5364 3.5465 3.7841 3.8611 4.2791 4.3184 4.6994 4.7123 7.5703 7.5904 8.4492 8.4615 9.0984 9.1442 9.6893 9.7578 k = 0.0000 0.0000 0.3842 ( 5644 PWs) bands (ev): -8.0858 -8.0849 -7.2226 -7.2202 -7.1773 -7.1766 -7.0253 -7.0224 -2.2501 -2.2429 -2.2103 -2.1858 -0.8987 -0.8151 -0.6683 -0.6439 -0.5595 -0.5305 -0.3763 -0.3051 -0.1080 -0.0952 1.1595 1.2010 1.6502 1.6756 1.9987 2.0332 2.4313 2.4709 2.6766 2.7363 3.2623 3.3155 3.5671 3.5772 3.8049 3.8617 4.2651 4.2966 4.6875 4.7001 7.6214 7.6383 8.4884 8.5003 9.0853 9.1286 9.7085 9.7856 k = 0.0000 0.0000 0.4055 ( 5642 PWs) bands (ev): -8.0622 -8.0611 -7.2358 -7.2333 -7.1871 -7.1863 -7.0315 -7.0285 -2.2506 -2.2444 -2.2101 -2.1851 -0.8817 -0.8065 -0.6654 -0.6479 -0.5641 -0.5271 -0.3875 -0.3243 -0.1338 -0.1164 1.1246 1.1700 1.6295 1.6452 2.0772 2.1153 2.4269 2.4749 2.7322 2.7846 3.2265 3.2803 3.5988 3.6118 3.8204 3.8568 4.2588 4.2816 4.6759 4.6881 7.6672 7.6797 8.5238 8.5358 9.0579 9.0994 9.7296 9.8134 k = 0.0000 0.0000 0.4269 ( 5656 PWs) bands (ev): -8.0377 -8.0365 -7.2491 -7.2465 -7.1969 -7.1961 -7.0384 -7.0353 -2.2509 -2.2458 -2.2098 -2.1846 -0.8641 -0.7986 -0.6631 -0.6506 -0.5692 -0.5238 -0.3982 -0.3435 -0.1590 -0.1370 1.0849 1.1355 1.6117 1.6232 2.1565 2.1970 2.4177 2.4730 2.7863 2.8299 3.2031 3.2595 3.6286 3.6472 3.8276 3.8466 4.2590 4.2769 4.6647 4.6763 7.7067 7.7138 8.5545 8.5670 9.0209 9.0618 9.7467 9.8345 k = 0.0000 0.0000 0.4482 ( 5652 PWs) bands (ev): -8.0125 -8.0111 -7.2624 -7.2597 -7.2066 -7.2057 -7.0459 -7.0427 -2.2510 -2.2472 -2.2095 -2.1843 -0.8462 -0.7914 -0.6630 -0.6510 -0.5747 -0.5208 -0.4084 -0.3624 -0.1834 -0.1564 1.0405 1.0969 1.5951 1.6133 2.2331 2.2704 2.4095 2.4651 2.8376 2.8723 3.1965 3.2551 3.6541 3.6817 3.8191 3.8403 4.2630 4.2852 4.6541 4.6649 7.7368 7.7414 8.5796 8.5926 8.9790 9.0207 9.7555 9.8447 k = 0.0000 0.0000 0.4696 ( 5658 PWs) bands (ev): -7.9866 -7.9851 -7.2756 -7.2729 -7.2162 -7.2152 -7.0540 -7.0507 -2.2509 -2.2484 -2.2093 -2.1843 -0.8282 -0.7850 -0.6651 -0.6492 -0.5804 -0.5184 -0.4180 -0.3806 -0.2063 -0.1741 0.9924 1.0541 1.5839 1.6122 2.2930 2.3137 2.4262 2.4584 2.8859 2.9137 3.2077 3.2662 3.6725 3.7135 3.7998 3.8394 4.2719 4.3029 4.6442 4.6539 7.7527 7.7643 8.5980 8.6116 8.9365 8.9801 9.7546 9.8432 k = 0.0000 0.0000 0.4909 ( 5658 PWs) bands (ev): -7.9601 -7.9585 -7.2888 -7.2860 -7.2257 -7.2246 -7.0627 -7.0594 -2.2506 -2.2494 -2.2091 -2.1845 -0.8107 -0.7791 -0.6681 -0.6468 -0.5864 -0.5167 -0.4271 -0.3976 -0.2274 -0.1897 0.9413 1.0075 1.5795 1.6179 2.2869 2.3390 2.4601 2.4952 2.9322 2.9571 3.2344 3.2899 3.6808 3.7377 3.7852 3.8410 4.2863 4.3258 4.6352 4.6437 7.7560 7.7771 8.6084 8.6236 8.8976 8.9434 9.7450 9.8318 k = 0.0000 0.0000 0.5123 ( 5650 PWs) bands (ev): -7.9332 -7.9314 -7.3018 -7.2989 -7.2350 -7.2338 -7.0720 -7.0686 -2.2505 -2.2498 -2.2090 -2.1850 -0.7947 -0.7731 -0.6711 -0.6450 -0.5923 -0.5159 -0.4354 -0.4131 -0.2461 -0.2026 0.8882 0.9577 1.5818 1.6294 2.2519 2.3248 2.5070 2.5622 2.9795 3.0048 3.2728 3.3215 3.6779 3.7425 3.7926 3.8471 4.3046 4.3517 4.6273 4.6343 7.7457 7.7767 8.6100 8.6293 8.8655 8.9131 9.7296 9.8134 k = 0.0000 0.0000 0.5336 ( 5646 PWs) bands (ev): -7.9058 -7.9038 -7.3147 -7.3117 -7.2440 -7.2427 -7.0818 -7.0784 -2.2511 -2.2492 -2.2090 -2.1858 -0.7821 -0.7656 -0.6739 -0.6444 -0.5981 -0.5165 -0.4428 -0.4267 -0.2620 -0.2125 0.8341 0.9056 1.5901 1.6462 2.2088 2.2895 2.5603 2.6253 3.0298 3.0583 3.3185 3.3567 3.6678 3.7390 3.8141 3.8575 4.3254 4.3788 4.6204 4.6262 7.7207 7.7607 8.6043 8.6292 8.8418 8.8902 9.7115 9.7914 k = 0.0000 0.0000 0.5550 ( 5648 PWs) bands (ev): -7.8781 -7.8760 -7.3274 -7.3243 -7.2527 -7.2513 -7.0921 -7.0887 -2.2515 -2.2483 -2.2092 -2.1869 -0.7748 -0.7555 -0.6760 -0.6451 -0.6036 -0.5186 -0.4491 -0.4379 -0.2745 -0.2192 0.7796 0.8521 1.6035 1.6677 2.1624 2.2475 2.6068 2.6773 3.0830 3.1179 3.3669 3.3938 3.6583 3.7419 3.8366 3.8708 4.3471 4.4061 4.6143 4.6198 7.6808 7.7278 8.5945 8.6238 8.8262 8.8743 9.6937 9.7687 k = 0.0000 0.0000 0.5763 ( 5652 PWs) bands (ev): -7.8503 -7.8480 -7.3400 -7.3368 -7.2610 -7.2596 -7.1027 -7.0994 -2.2516 -2.2473 -2.2095 -2.1882 -0.7708 -0.7456 -0.6772 -0.6474 -0.6087 -0.5225 -0.4556 -0.4450 -0.2831 -0.2226 0.7254 0.7978 1.6211 1.6931 2.1153 2.2043 2.6420 2.7150 3.1375 3.1804 3.4114 3.4378 3.6556 3.7539 3.8580 3.8857 4.3684 4.4326 4.6087 4.6157 7.6271 7.6782 8.5829 8.6129 8.8177 8.8649 9.6781 9.7474 k = 0.0000 0.0000 0.5976 ( 5650 PWs) bands (ev): -7.8224 -7.8199 -7.3525 -7.3492 -7.2690 -7.2675 -7.1135 -7.1104 -2.2515 -2.2461 -2.2100 -2.1898 -0.7683 -0.7384 -0.6771 -0.6512 -0.6131 -0.5280 -0.4625 -0.4478 -0.2877 -0.2227 0.6720 0.7434 1.6417 1.7221 2.0691 2.1626 2.6643 2.7370 3.1901 3.2393 3.4540 3.4910 3.6633 3.7735 3.8788 3.9030 4.3885 4.4577 4.6035 4.6139 7.5615 7.6137 8.5695 8.5963 8.8158 8.8622 9.6662 9.7291 k = 0.0000 0.0000 0.6190 ( 5646 PWs) bands (ev): -7.7945 -7.7918 -7.3650 -7.3615 -7.2765 -7.2749 -7.1245 -7.1215 -2.2511 -2.2447 -2.2107 -2.1917 -0.7666 -0.7349 -0.6761 -0.6561 -0.6166 -0.5347 -0.4683 -0.4480 -0.2879 -0.2197 0.6199 0.6894 1.6643 1.7538 2.0250 2.1249 2.6736 2.7436 3.2378 3.2872 3.5065 3.5485 3.6813 3.7965 3.9004 3.9248 4.4066 4.4809 4.5990 4.6142 7.4865 7.5375 8.5525 8.5738 8.8205 8.8666 9.6586 9.7147 k = 0.0000 0.0000 0.6403 ( 5646 PWs) bands (ev): -7.7669 -7.7640 -7.3775 -7.3739 -7.2836 -7.2820 -7.1354 -7.1326 -2.2505 -2.2433 -2.2116 -2.1938 -0.7655 -0.7345 -0.6751 -0.6618 -0.6191 -0.5422 -0.4720 -0.4471 -0.2836 -0.2139 0.5695 0.6364 1.6872 1.7873 1.9845 2.0931 2.6705 2.7361 3.2797 3.3225 3.5713 3.6065 3.7063 3.8202 3.9238 3.9544 4.4223 4.5015 4.5951 4.6162 7.4053 7.4532 8.5299 8.5460 8.8319 8.8777 9.6552 9.7043 k = 0.0000 0.0000 0.6617 ( 5638 PWs) bands (ev): -7.7395 -7.7365 -7.3900 -7.3863 -7.2901 -7.2885 -7.1461 -7.1435 -2.2495 -2.2417 -2.2126 -2.1961 -0.7648 -0.7364 -0.6755 -0.6674 -0.6202 -0.5503 -0.4735 -0.4458 -0.2751 -0.2057 0.5214 0.5849 1.7087 1.8203 1.9498 2.0693 2.6560 2.7166 3.3166 3.3503 3.6326 3.6685 3.7317 3.8491 3.9501 3.9919 4.4354 4.5191 4.5920 4.6196 7.3207 7.3645 8.5019 8.5143 8.8493 8.8941 9.6554 9.6976 k = 0.0000 0.0000 0.6830 ( 5642 PWs) bands (ev): -7.7127 -7.7095 -7.4028 -7.3989 -7.2961 -7.2945 -7.1563 -7.1540 -2.2483 -2.2401 -2.2137 -2.1986 -0.7644 -0.7396 -0.6782 -0.6722 -0.6202 -0.5585 -0.4729 -0.4446 -0.2627 -0.1955 0.4760 0.5353 1.7265 1.8454 1.9286 2.0557 2.6321 2.6878 3.3503 3.3757 3.6671 3.7437 3.7493 3.8926 3.9807 4.0340 4.4461 4.5331 4.5896 4.6237 7.2359 7.2748 8.4701 8.4803 8.8715 8.9138 9.6584 9.6939 k = 0.0000 0.0000 0.7044 ( 5648 PWs) bands (ev): -7.6867 -7.6833 -7.4158 -7.4118 -7.3015 -7.2999 -7.1658 -7.1637 -2.2469 -2.2385 -2.2150 -2.2012 -0.7644 -0.7434 -0.6827 -0.6758 -0.6193 -0.5666 -0.4709 -0.4439 -0.2471 -0.1841 0.4341 0.4884 1.7391 1.8451 1.9379 2.0537 2.6009 2.6520 3.3817 3.4016 3.6820 3.7488 3.8276 3.9492 4.0156 4.0769 4.4550 4.5427 4.5883 4.6277 7.1539 7.1875 8.4369 8.4457 8.8965 8.9350 9.6632 9.6926 k = 0.0000 0.0000 0.7257 ( 5672 PWs) bands (ev): -7.6616 -7.6582 -7.4290 -7.4250 -7.3061 -7.3047 -7.1743 -7.1726 -2.2453 -2.2370 -2.2162 -2.2040 -0.7644 -0.7474 -0.6873 -0.6794 -0.6178 -0.5743 -0.4679 -0.4437 -0.2293 -0.1722 0.3963 0.4448 1.7459 1.8267 1.9702 2.0631 2.5648 2.6118 3.4113 3.4289 3.6850 3.7411 3.9061 4.0080 4.0539 4.1174 4.4632 4.5472 4.5887 4.6308 7.0778 7.1058 8.4048 8.4124 8.9223 8.9558 9.6690 9.6926 k = 0.0000 0.0000 0.7471 ( 5676 PWs) bands (ev): -7.6379 -7.6345 -7.4424 -7.4385 -7.3100 -7.3088 -7.1816 -7.1802 -2.2434 -2.2357 -2.2173 -2.2067 -0.7645 -0.7512 -0.6910 -0.6831 -0.6158 -0.5815 -0.4644 -0.4440 -0.2102 -0.1611 0.3638 0.4053 1.7482 1.8061 2.0088 2.0814 2.5268 2.5695 3.4394 3.4566 3.6804 3.7273 3.9777 4.0590 4.0952 4.1526 4.4717 4.5468 4.5907 4.6320 7.0104 7.0329 8.3759 8.3822 8.9470 8.9748 9.6749 9.6932 k = 0.0000 0.0000 0.7684 ( 5668 PWs) bands (ev): -7.6162 -7.6130 -7.4556 -7.4520 -7.3131 -7.3121 -7.1875 -7.1865 -2.2415 -2.2347 -2.2180 -2.2093 -0.7645 -0.7547 -0.6937 -0.6866 -0.6133 -0.5879 -0.4607 -0.4450 -0.1912 -0.1519 0.3379 0.3709 1.7482 1.7877 2.0483 2.1041 2.4901 2.5274 3.4658 3.4829 3.6718 3.7101 4.0395 4.0979 4.1359 4.1800 4.4816 4.5428 4.5940 4.6307 6.9548 6.9717 8.3519 8.3568 8.9691 8.9904 9.6804 9.6938 k = 0.0000 0.0000 0.7897 ( 5672 PWs) bands (ev): -7.5975 -7.5948 -7.4677 -7.4646 -7.3153 -7.3146 -7.1918 -7.1911 -2.2395 -2.2344 -2.2181 -2.2119 -0.7642 -0.7578 -0.6951 -0.6898 -0.6104 -0.5937 -0.4572 -0.4465 -0.1737 -0.1461 0.3198 0.3430 1.7482 1.7728 2.0854 2.1253 2.4594 2.4887 3.4897 3.5049 3.6627 3.6914 4.0887 4.1253 4.1694 4.1978 4.4934 4.5361 4.5984 4.6264 6.9136 6.9249 8.3341 8.3374 8.9870 9.0015 9.6852 9.6940 k = 0.0000 0.0000 0.8111 ( 5672 PWs) bands (ev): -7.5837 -7.5820 -7.4766 -7.4747 -7.3165 -7.3162 -7.1944 -7.1940 -2.2377 -2.2349 -2.2175 -2.2142 -0.7634 -0.7603 -0.6952 -0.6924 -0.6071 -0.5988 -0.4539 -0.4485 -0.1593 -0.1450 0.3109 0.3229 1.7497 1.7615 2.1161 2.1377 2.4409 2.4577 3.5089 3.5185 3.6578 3.6740 4.1229 4.1405 4.1919 4.2055 4.5058 4.5277 4.6043 4.6197 6.8890 6.8946 8.3234 8.3250 8.9998 9.0070 9.6889 9.6933 k = 0.0000 0.0000 0.8324 ( 5680 PWs) bands (ev): -7.5778 -7.5778 -7.4794 -7.4794 -7.3168 -7.3168 -7.1951 -7.1951 -2.2361 -2.2361 -2.2161 -2.2161 -0.7621 -0.7621 -0.6943 -0.6943 -0.6033 -0.6033 -0.4510 -0.4510 -0.1495 -0.1495 0.3119 0.3119 1.7540 1.7540 2.1350 2.1350 2.4402 2.4402 3.5198 3.5198 3.6615 3.6615 4.1403 4.1403 4.2035 4.2035 4.5176 4.5176 4.6118 4.6118 6.8825 6.8825 8.3203 8.3203 9.0065 9.0065 9.6916 9.6916 k = 0.0000 0.0000 0.8324 ( 5680 PWs) bands (ev): -7.5778 -7.5778 -7.4794 -7.4794 -7.3168 -7.3168 -7.1951 -7.1951 -2.2361 -2.2361 -2.2161 -2.2161 -0.7621 -0.7621 -0.6943 -0.6943 -0.6033 -0.6033 -0.4510 -0.4510 -0.1495 -0.1495 0.3119 0.3119 1.7540 1.7540 2.1350 2.1350 2.4402 2.4402 3.5198 3.5198 3.6615 3.6615 4.1403 4.1403 4.2035 4.2035 4.5176 4.5176 4.6118 4.6118 6.8825 6.8825 8.3203 8.3203 9.0065 9.0065 9.6916 9.6916 k =-0.0128 0.0171 0.8324 ( 5676 PWs) bands (ev): -7.5779 -7.5775 -7.4801 -7.4797 -7.3167 -7.3166 -7.1954 -7.1951 -2.2379 -2.2345 -2.2208 -2.2121 -0.7754 -0.7570 -0.6981 -0.6861 -0.6148 -0.5861 -0.4546 -0.4440 -0.1505 -0.1458 0.3078 0.3162 1.7534 1.7552 2.1334 2.1368 2.4389 2.4422 3.5137 3.5221 3.6548 3.6618 4.1355 4.1433 4.1991 4.2066 4.5050 4.5188 4.6092 4.6183 6.8852 6.8877 8.3220 8.3234 9.0078 9.0144 9.6930 9.6955 k =-0.0257 0.0341 0.8324 ( 5660 PWs) bands (ev): -7.5775 -7.5767 -7.4816 -7.4808 -7.3162 -7.3161 -7.1959 -7.1953 -2.2399 -2.2334 -2.2260 -2.2090 -0.7935 -0.7598 -0.6982 -0.6761 -0.6185 -0.5658 -0.4550 -0.4330 -0.1489 -0.1393 0.3039 0.3206 1.7534 1.7569 2.1320 2.1389 2.4384 2.4449 3.5038 3.5206 3.6418 3.6555 4.1290 4.1444 4.1936 4.2081 4.4842 4.5089 4.6106 4.6258 6.8959 6.9006 8.3284 8.3312 9.0178 9.0313 9.6993 9.7045 k =-0.0385 0.0512 0.8324 ( 5662 PWs) bands (ev): -7.5768 -7.5756 -7.4840 -7.4828 -7.3152 -7.3151 -7.1966 -7.1957 -2.2422 -2.2345 -2.2299 -2.2068 -0.8140 -0.7670 -0.6988 -0.6663 -0.6143 -0.5455 -0.4510 -0.4166 -0.1447 -0.1301 0.2999 0.3252 1.7540 1.7593 2.1309 2.1411 2.4386 2.4484 3.4903 3.5152 3.6226 3.6428 4.1208 4.1433 4.1873 4.2080 4.4582 4.4911 4.6131 4.6317 6.9141 6.9209 8.3393 8.3438 9.0357 9.0560 9.7100 9.7179 k =-0.0513 0.0683 0.8324 ( 5672 PWs) bands (ev): -7.5759 -7.5743 -7.4872 -7.4858 -7.3138 -7.3137 -7.1974 -7.1963 -2.2451 -2.2397 -2.2300 -2.2053 -0.8352 -0.7755 -0.7015 -0.6572 -0.6048 -0.5288 -0.4404 -0.3937 -0.1378 -0.1180 0.2959 0.3300 1.7553 1.7623 2.1300 2.1436 2.4394 2.4525 3.4734 3.5061 3.5977 3.6240 4.1110 4.1399 4.1805 4.2063 4.4293 4.4688 4.6141 4.6345 6.9395 6.9479 8.3545 8.3610 9.0596 9.0872 9.7238 9.7348 k =-0.0641 0.0854 0.8324 ( 5666 PWs) bands (ev): -7.5747 -7.5728 -7.4913 -7.4896 -7.3119 -7.3118 -7.1985 -7.1970 -2.2495 -2.2447 -2.2296 -2.2047 -0.8562 -0.7842 -0.7052 -0.6488 -0.5941 -0.5181 -0.4213 -0.3640 -0.1284 -0.1029 0.2918 0.3350 1.7573 1.7658 2.1294 2.1464 2.4410 2.4572 3.4532 3.4932 3.5677 3.5994 4.0997 4.1341 4.1737 4.2028 4.3988 4.4441 4.6125 4.6336 6.9715 6.9811 8.3736 8.3824 9.0872 9.1225 9.7389 9.7533 k =-0.0770 0.1024 0.8324 ( 5670 PWs) bands (ev): -7.5734 -7.5712 -7.4963 -7.4943 -7.3095 -7.3093 -7.1995 -7.1978 -2.2560 -2.2481 -2.2294 -2.2047 -0.8763 -0.7928 -0.7087 -0.6414 -0.5845 -0.5127 -0.3936 -0.3284 -0.1164 -0.0847 0.2875 0.3401 1.7599 1.7700 2.1291 2.1494 2.4431 2.4624 3.4299 3.4760 3.5342 3.5696 4.0870 4.1258 4.1669 4.1978 4.3680 4.4183 4.6077 4.6288 7.0092 7.0197 8.3962 8.4077 9.1156 9.1588 9.7520 9.7709 k =-0.0898 0.1195 0.8324 ( 5670 PWs) bands (ev): -7.5721 -7.5696 -7.5019 -7.4998 -7.3064 -7.3063 -7.2006 -7.1987 -2.2634 -2.2511 -2.2295 -2.2052 -0.8953 -0.8011 -0.7115 -0.6351 -0.5767 -0.5108 -0.3590 -0.2886 -0.1019 -0.0631 0.2828 0.3454 1.7632 1.7749 2.1292 2.1527 2.4457 2.4681 3.4035 3.4527 3.5000 3.5356 4.0731 4.1152 4.1601 4.1911 4.3378 4.3921 4.5999 4.6203 7.0518 7.0629 8.4217 8.4363 9.1416 9.1924 9.7583 9.7835 k =-0.1026 0.1366 0.8324 ( 5670 PWs) bands (ev): -7.5709 -7.5683 -7.5082 -7.5060 -7.3028 -7.3027 -7.2017 -7.1995 -2.2708 -2.2540 -2.2301 -2.2061 -0.9129 -0.8092 -0.7133 -0.6304 -0.5706 -0.5106 -0.3188 -0.2462 -0.0849 -0.0380 0.2779 0.3507 1.7674 1.7804 2.1295 2.1564 2.4487 2.4741 3.3738 3.4203 3.4695 3.4987 4.0580 4.1027 4.1529 4.1830 4.3089 4.3662 4.5892 4.6083 7.0985 7.1098 8.4493 8.4675 9.1620 9.2192 9.7514 9.7858 k =-0.1154 0.1537 0.8324 ( 5662 PWs) bands (ev): -7.5703 -7.5676 -7.5147 -7.5127 -7.2985 -7.2984 -7.2026 -7.2001 -2.2782 -2.2569 -2.2311 -2.2072 -0.9290 -0.8173 -0.7141 -0.6273 -0.5656 -0.5115 -0.2747 -0.2028 -0.0654 -0.0091 0.2728 0.3560 1.7723 1.7868 2.1303 2.1605 2.4520 2.4804 3.3400 3.3795 3.4440 3.4607 4.0419 4.0884 4.1454 4.1736 4.2817 4.3411 4.5759 4.5934 7.1484 7.1595 8.4781 8.5003 9.1744 9.2358 9.7268 9.7730 k =-0.1283 0.1707 0.8324 ( 5666 PWs) bands (ev): -7.5704 -7.5679 -7.5213 -7.5195 -7.2937 -7.2934 -7.2032 -7.2005 -2.2853 -2.2599 -2.2327 -2.2083 -0.9437 -0.8253 -0.7140 -0.6260 -0.5613 -0.5129 -0.2279 -0.1596 -0.0432 0.0234 0.2676 0.3614 1.7782 1.7941 2.1315 2.1650 2.4556 2.4868 3.3012 3.3344 3.4200 3.4243 4.0249 4.0727 4.1373 4.1628 4.2566 4.3171 4.5604 4.5760 7.2004 7.2114 8.5070 8.5338 9.1772 9.2404 9.6844 9.7434 k =-0.1411 0.1878 0.8324 ( 5654 PWs) bands (ev): -7.5720 -7.5697 -7.5273 -7.5261 -7.2882 -7.2878 -7.2034 -7.2006 -2.2920 -2.2631 -2.2349 -2.2093 -0.9569 -0.8333 -0.7132 -0.6266 -0.5573 -0.5145 -0.1802 -0.1176 -0.0177 0.0591 0.2630 0.3668 1.7851 1.8025 2.1331 2.1701 2.4592 2.4932 3.2573 3.2878 3.3880 3.3999 4.0071 4.0557 4.1286 4.1510 4.2337 4.2942 4.5428 4.5567 7.2537 7.2643 8.5348 8.5665 9.1705 9.2332 9.6273 9.6982 k =-0.1411 0.1878 0.8324 ( 5654 PWs) bands (ev): -7.5720 -7.5697 -7.5273 -7.5261 -7.2882 -7.2878 -7.2034 -7.2006 -2.2920 -2.2631 -2.2349 -2.2093 -0.9569 -0.8333 -0.7132 -0.6266 -0.5573 -0.5145 -0.1802 -0.1176 -0.0177 0.0591 0.2630 0.3668 1.7851 1.8025 2.1331 2.1701 2.4592 2.4932 3.2573 3.2878 3.3880 3.3999 4.0071 4.0557 4.1286 4.1510 4.2337 4.2942 4.5428 4.5567 7.2537 7.2643 8.5348 8.5665 9.1705 9.2332 9.6273 9.6982 k =-0.1501 0.1998 0.8175 ( 5654 PWs) bands (ev): -7.5819 -7.5795 -7.5208 -7.5200 -7.2928 -7.2924 -7.1971 -7.1940 -2.2967 -2.2661 -2.2368 -2.2085 -0.9656 -0.8364 -0.7141 -0.6286 -0.5528 -0.5116 -0.1473 -0.0907 -0.0196 0.0625 0.2837 0.3958 1.7893 1.8128 2.1335 2.1667 2.4629 2.5072 3.2297 3.2585 3.3456 3.3775 3.9893 4.0466 4.0994 4.1352 4.2193 4.2858 4.5388 4.5544 7.2994 7.3087 8.5496 8.5861 9.1645 9.2293 9.5918 9.6680 k =-0.1590 0.2117 0.8026 ( 5657 PWs) bands (ev): -7.5929 -7.5901 -7.5151 -7.5142 -7.2973 -7.2969 -7.1892 -7.1859 -2.3012 -2.2690 -2.2391 -2.2076 -0.9735 -0.8388 -0.7151 -0.6314 -0.5480 -0.5090 -0.1183 -0.0725 -0.0163 0.0697 0.3114 0.4284 1.7951 1.8255 2.1285 2.1607 2.4724 2.5244 3.1891 3.2217 3.3136 3.3621 3.9593 4.0239 4.0631 4.1146 4.2168 4.2839 4.5355 4.5527 7.3518 7.3600 8.5657 8.6072 9.1538 9.2209 9.5532 9.6303 k =-0.1680 0.2236 0.7876 ( 5652 PWs) bands (ev): -7.6040 -7.6009 -7.5107 -7.5098 -7.3015 -7.3011 -7.1801 -7.1765 -2.3055 -2.2718 -2.2415 -2.2065 -0.9804 -0.8405 -0.7162 -0.6351 -0.5431 -0.5066 -0.0986 -0.0661 -0.0012 0.0855 0.3434 0.4634 1.8023 1.8402 2.1201 2.1533 2.4861 2.5432 3.1398 3.1755 3.2933 3.3509 3.9205 3.9850 4.0281 4.0886 4.2206 4.2873 4.5337 4.5520 7.4097 7.4170 8.5823 8.6288 9.1388 9.2083 9.4996 9.5554 k =-0.1770 0.2356 0.7727 ( 5657 PWs) bands (ev): -7.6148 -7.6114 -7.5077 -7.5069 -7.3054 -7.3049 -7.1699 -7.1662 -2.3094 -2.2745 -2.2441 -2.2054 -0.9866 -0.8416 -0.7178 -0.6393 -0.5382 -0.5045 -0.0930 -0.0648 0.0249 0.1107 0.3778 0.4997 1.8108 1.8567 2.1103 2.1457 2.5021 2.5619 3.0860 3.1232 3.2803 3.3419 3.8761 3.9361 3.9933 4.0574 4.2272 4.2940 4.5336 4.5521 7.4717 7.4787 8.5987 8.6498 9.1191 9.1904 9.4180 9.4963 k =-0.1860 0.2475 0.7577 ( 5663 PWs) bands (ev): -7.6251 -7.6216 -7.5061 -7.5054 -7.3089 -7.3084 -7.1590 -7.1552 -2.3130 -2.2770 -2.2468 -2.2044 -0.9919 -0.8419 -0.7200 -0.6440 -0.5337 -0.5026 -0.0978 -0.0645 0.0583 0.1425 0.4135 0.5367 1.8201 1.8747 2.1008 2.1394 2.5184 2.5791 3.0299 3.0681 3.2712 3.3340 3.8286 3.8842 3.9557 4.0218 4.2346 4.3025 4.5353 4.5530 7.5367 7.5438 8.6138 8.6689 9.0933 9.1627 9.3376 9.4240 k =-0.1949 0.2595 0.7428 ( 5662 PWs) bands (ev): -7.6350 -7.6313 -7.5057 -7.5052 -7.3119 -7.3114 -7.1476 -7.1437 -2.3162 -2.2793 -2.2496 -2.2033 -0.9965 -0.8415 -0.7230 -0.6488 -0.5295 -0.5010 -0.1063 -0.0652 0.0955 0.1781 0.4494 0.5734 1.8298 1.8933 2.0933 2.1354 2.5337 2.5936 2.9726 3.0119 3.2644 3.3265 3.7799 3.8324 3.9154 3.9826 4.2421 4.3114 4.5388 4.5547 7.6033 7.6112 8.6266 8.6845 9.0585 9.1184 9.2781 9.3528 k =-0.2039 0.2714 0.7279 ( 5664 PWs) bands (ev): -7.6444 -7.6405 -7.5065 -7.5061 -7.3145 -7.3139 -7.1359 -7.1320 -2.3191 -2.2814 -2.2524 -2.2024 -1.0004 -0.8405 -0.7271 -0.6536 -0.5258 -0.4996 -0.1155 -0.0659 0.1344 0.2154 0.4850 0.6096 1.8395 1.9116 2.0895 2.1348 2.5466 2.6045 2.9152 2.9558 3.2591 3.3189 3.7314 3.7828 3.8731 3.9407 4.2492 4.3201 4.5437 4.5569 7.6701 7.6793 8.6361 8.6945 9.0115 9.0598 9.2424 9.2955 k =-0.2129 0.2834 0.7129 ( 5664 PWs) bands (ev): -7.6531 -7.6491 -7.5083 -7.5077 -7.3166 -7.3160 -7.1243 -7.1204 -2.3216 -2.2833 -2.2552 -2.2017 -1.0035 -0.8387 -0.7325 -0.6580 -0.5227 -0.4987 -0.1241 -0.0656 0.1738 0.2532 0.5196 0.6445 1.8486 1.9279 2.0913 2.1385 2.5562 2.6110 2.8582 2.9004 3.2549 3.3110 3.6844 3.7365 3.8301 3.8970 4.2557 4.3282 4.5497 4.5596 7.7358 7.7469 8.6406 8.6958 8.9545 8.9993 9.2192 9.2561 k =-0.2219 0.2953 0.6980 ( 5670 PWs) bands (ev): -7.6612 -7.6571 -7.5108 -7.5100 -7.3183 -7.3176 -7.1130 -7.1090 -2.3238 -2.2850 -2.2579 -2.2011 -1.0060 -0.8362 -0.7393 -0.6618 -0.5202 -0.4982 -0.1316 -0.0640 0.2128 0.2907 0.5529 0.6778 1.8570 1.9407 2.1005 2.1468 2.5617 2.6126 2.8022 2.8463 3.2517 3.3027 3.6399 3.6944 3.7874 3.8524 4.2615 4.3354 4.5563 4.5628 7.7990 7.8124 8.6381 8.6840 8.8999 8.9431 9.1997 9.2338 k =-0.2308 0.3072 0.6831 ( 5664 PWs) bands (ev): -7.6687 -7.6644 -7.5139 -7.5128 -7.3196 -7.3189 -7.1021 -7.0981 -2.3255 -2.2866 -2.2604 -2.2007 -1.0078 -0.8331 -0.7474 -0.6650 -0.5182 -0.4984 -0.1375 -0.0607 0.2508 0.3269 0.5846 0.7090 1.8644 1.9489 2.1178 2.1598 2.5625 2.6093 2.7478 2.7942 3.2489 3.2942 3.5986 3.6573 3.7460 3.8079 4.2666 4.3418 4.5620 4.5673 7.8583 7.8742 8.6260 8.6545 8.8596 8.8958 9.1832 9.2225 k =-0.2398 0.3192 0.6681 ( 5658 PWs) bands (ev): -7.6754 -7.6711 -7.5174 -7.5160 -7.3204 -7.3197 -7.0918 -7.0879 -2.3270 -2.2880 -2.2628 -2.2004 -1.0091 -0.8293 -0.7567 -0.6676 -0.5168 -0.4993 -0.1417 -0.0558 0.2871 0.3613 0.6143 0.7378 1.8710 1.9530 2.1422 2.1772 2.5581 2.6015 2.6955 2.7448 3.2458 3.2864 3.5608 3.6252 3.7065 3.7647 4.2711 4.3472 4.5655 4.5741 7.9124 7.9308 8.6020 8.6095 8.8347 8.8627 9.1715 9.2166 k =-0.2488 0.3311 0.6532 ( 5657 PWs) bands (ev): -7.6814 -7.6769 -7.5211 -7.5194 -7.3209 -7.3201 -7.0823 -7.0784 -2.3280 -2.2892 -2.2649 -2.2004 -1.0098 -0.8250 -0.7666 -0.6697 -0.5157 -0.5010 -0.1441 -0.0495 0.3213 0.3931 0.6420 0.7639 1.8771 1.9544 2.1707 2.1987 2.5485 2.5908 2.6458 2.6986 3.2415 3.2805 3.5265 3.5978 3.6695 3.7241 4.2750 4.3518 4.5676 4.5816 7.9602 7.9809 8.5572 8.5675 8.8190 8.8453 9.1654 9.2143 k =-0.2577 0.3431 0.6382 ( 5653 PWs) bands (ev): -7.6866 -7.6821 -7.5250 -7.5230 -7.3210 -7.3202 -7.0738 -7.0699 -2.3288 -2.2904 -2.2667 -2.2006 -1.0100 -0.8206 -0.7767 -0.6712 -0.5149 -0.5038 -0.1446 -0.0417 0.3525 0.4216 0.6676 0.7870 1.8828 1.9540 2.1980 2.2252 2.5340 2.5801 2.5995 2.6566 3.2349 3.2780 3.4956 3.5742 3.6350 3.6878 4.2785 4.3556 4.5688 4.5890 8.0007 8.0233 8.5048 8.5268 8.8091 8.8384 9.1653 9.2153 k =-0.2667 0.3550 0.6233 ( 5651 PWs) bands (ev): -7.6910 -7.6865 -7.5288 -7.5266 -7.3207 -7.3198 -7.0663 -7.0624 -2.3293 -2.2915 -2.2682 -2.2010 -1.0098 -0.8170 -0.7856 -0.6724 -0.5144 -0.5075 -0.1435 -0.0327 0.3804 0.4461 0.6909 0.8069 1.8884 1.9525 2.2182 2.2564 2.5157 2.5572 2.5732 2.6201 3.2260 3.2790 3.4682 3.5520 3.6040 3.6573 4.2817 4.3588 4.5688 4.5958 8.0335 8.0574 8.4562 8.4849 8.8037 8.8363 9.1710 9.2199 k =-0.2757 0.3670 0.6084 ( 5653 PWs) bands (ev): -7.6947 -7.6901 -7.5327 -7.5301 -7.3200 -7.3191 -7.0599 -7.0561 -2.3295 -2.2926 -2.2693 -2.2015 -1.0093 -0.8173 -0.7901 -0.6732 -0.5141 -0.5120 -0.1407 -0.0227 0.4043 0.4658 0.7121 0.8234 1.8939 1.9502 2.2293 2.2865 2.4967 2.5209 2.5724 2.5919 3.2154 3.2828 3.4445 3.5274 3.5795 3.6329 4.2845 4.3613 4.5677 4.6017 8.0585 8.0833 8.4135 8.4455 8.8011 8.8360 9.1813 9.2283 k =-0.2847 0.3789 0.5934 ( 5658 PWs) bands (ev): -7.6975 -7.6929 -7.5364 -7.5336 -7.3190 -7.3180 -7.0548 -7.0510 -2.3295 -2.2936 -2.2699 -2.2023 -1.0083 -0.8237 -0.7877 -0.6737 -0.5179 -0.5135 -0.1364 -0.0119 0.4236 0.4804 0.7309 0.8365 1.8990 1.9472 2.2298 2.3059 2.4757 2.4991 2.5635 2.5921 3.2035 3.2885 3.4249 3.4981 3.5638 3.6142 4.2872 4.3633 4.5652 4.6063 8.0761 8.1012 8.3778 8.4108 8.8002 8.8364 9.1945 9.2399 k =-0.2936 0.3908 0.5785 ( 5662 PWs) bands (ev): -7.6995 -7.6949 -7.5399 -7.5369 -7.3176 -7.3166 -7.0510 -7.0472 -2.3294 -2.2945 -2.2701 -2.2032 -1.0071 -0.8333 -0.7812 -0.6740 -0.5242 -0.5133 -0.1308 -0.0004 0.4380 0.4895 0.7470 0.8458 1.9036 1.9433 2.2199 2.3067 2.4501 2.4962 2.5598 2.6163 3.1909 3.2956 3.4096 3.4663 3.5552 3.6002 4.2897 4.3648 4.5612 4.6095 8.0870 8.1122 8.3497 8.3821 8.8001 8.8369 9.2084 9.2533 k =-0.3026 0.4028 0.5635 ( 5656 PWs) bands (ev): -7.7006 -7.6960 -7.5432 -7.5400 -7.3158 -7.3147 -7.0486 -7.0448 -2.3291 -2.2952 -2.2700 -2.2043 -1.0057 -0.8437 -0.7728 -0.6740 -0.5313 -0.5131 -0.1241 0.0117 0.4471 0.4930 0.7599 0.8514 1.9070 1.9389 2.2014 2.2903 2.4279 2.4937 2.5823 2.6525 3.1777 3.3029 3.3986 3.4351 3.5513 3.5901 4.2922 4.3659 4.5557 4.6110 8.0921 8.1172 8.3293 8.3602 8.8008 8.8376 9.2211 9.2658 k =-0.3116 0.4147 0.5486 ( 5657 PWs) bands (ev): -7.7010 -7.6963 -7.5462 -7.5429 -7.3137 -7.3126 -7.0475 -7.0438 -2.3287 -2.2958 -2.2694 -2.2054 -1.0041 -0.8540 -0.7633 -0.6736 -0.5390 -0.5129 -0.1164 0.0241 0.4506 0.4911 0.7689 0.8530 1.9089 1.9342 2.1773 2.2643 2.4116 2.4891 2.6251 2.6976 3.1644 3.3083 3.3915 3.4081 3.5510 3.5836 4.2946 4.3666 4.5486 4.6107 8.0923 8.1172 8.3166 8.3453 8.8021 8.8390 9.2311 9.2747 k =-0.3206 0.4267 0.5337 ( 5651 PWs) bands (ev): -7.7004 -7.6958 -7.5490 -7.5455 -7.3113 -7.3100 -7.0479 -7.0442 -2.3283 -2.2961 -2.2685 -2.2067 -1.0024 -0.8638 -0.7530 -0.6730 -0.5472 -0.5128 -0.1078 0.0367 0.4485 0.4842 0.7733 0.8505 1.9086 1.9301 2.1505 2.2340 2.4020 2.4868 2.6779 2.7492 3.1516 3.3073 3.3852 3.3929 3.5539 3.5807 4.2970 4.3669 4.5400 4.6084 8.0881 8.1125 8.3120 8.3377 8.8042 8.8412 9.2376 9.2780 k =-0.3206 0.4267 0.5337 ( 5651 PWs) bands (ev): -7.7004 -7.6958 -7.5490 -7.5455 -7.3113 -7.3100 -7.0479 -7.0442 -2.3283 -2.2961 -2.2685 -2.2067 -1.0024 -0.8638 -0.7530 -0.6730 -0.5472 -0.5128 -0.1078 0.0367 0.4485 0.4842 0.7733 0.8505 1.9086 1.9301 2.1505 2.2340 2.4020 2.4868 2.6779 2.7492 3.1516 3.3073 3.3852 3.3929 3.5539 3.5807 4.2970 4.3669 4.5400 4.6084 8.0881 8.1125 8.3120 8.3377 8.8042 8.8412 9.2376 9.2780 k =-0.3116 0.4148 0.5188 ( 5659 PWs) bands (ev): -7.7073 -7.7030 -7.5393 -7.5356 -7.3150 -7.3140 -7.0453 -7.0416 -2.3290 -2.2938 -2.2651 -2.2064 -0.9975 -0.8592 -0.7490 -0.6658 -0.5483 -0.5173 -0.1052 0.0275 0.4329 0.4715 0.7937 0.8758 1.8903 1.9065 2.1268 2.2086 2.3946 2.4840 2.6537 2.7244 3.1257 3.2905 3.3697 3.4066 3.5404 3.5976 4.3108 4.3788 4.5530 4.6200 8.1355 8.1615 8.3662 8.3897 8.8434 8.8834 9.2585 9.2973 k =-0.3027 0.4030 0.5040 ( 5655 PWs) bands (ev): -7.7181 -7.7142 -7.5279 -7.5239 -7.3159 -7.3153 -7.0426 -7.0389 -2.3292 -2.2914 -2.2614 -2.2060 -0.9918 -0.8549 -0.7450 -0.6587 -0.5513 -0.5208 -0.1063 0.0143 0.4167 0.4565 0.8213 0.9056 1.8717 1.8825 2.1031 2.1835 2.3884 2.4823 2.6294 2.6988 3.1011 3.2709 3.3525 3.4253 3.5357 3.6221 4.3196 4.3847 4.5645 4.6293 8.1785 8.2057 8.4231 8.4442 8.8753 8.9163 9.2777 9.3166 k =-0.2938 0.3911 0.4892 ( 5649 PWs) bands (ev): -7.7326 -7.7291 -7.5149 -7.5108 -7.3143 -7.3140 -7.0400 -7.0362 -2.3289 -2.2890 -2.2575 -2.2057 -0.9853 -0.8510 -0.7410 -0.6521 -0.5562 -0.5232 -0.1106 -0.0020 0.4004 0.4402 0.8537 0.9386 1.8521 1.8589 2.0801 2.1593 2.3836 2.4815 2.6050 2.6725 3.0776 3.2468 3.3436 3.4402 3.5426 3.6514 4.3232 4.3845 4.5742 4.6364 8.2165 8.2444 8.4826 8.5012 8.9008 8.9412 9.2945 9.3343 k =-0.2849 0.3793 0.4744 ( 5641 PWs) bands (ev): -7.7502 -7.7471 -7.5005 -7.4963 -7.3106 -7.3104 -7.0373 -7.0334 -2.3280 -2.2866 -2.2535 -2.2054 -0.9782 -0.8478 -0.7368 -0.6466 -0.5623 -0.5248 -0.1179 -0.0206 0.3844 0.4233 0.8893 0.9737 1.8297 1.8382 2.0585 2.1363 2.3799 2.4812 2.5811 2.6461 3.0557 3.2201 3.3426 3.4508 3.5613 3.6843 4.3213 4.3784 4.5819 4.6411 8.2491 8.2772 8.5444 8.5604 8.9213 8.9597 9.3088 9.3491 k =-0.2760 0.3674 0.4596 ( 5641 PWs) bands (ev): -7.7703 -7.7677 -7.4849 -7.4807 -7.3051 -7.3049 -7.0346 -7.0307 -2.3266 -2.2842 -2.2492 -2.2052 -0.9705 -0.8452 -0.7324 -0.6428 -0.5682 -0.5258 -0.1278 -0.0404 0.3688 0.4062 0.9264 1.0098 1.8054 1.8200 2.0386 2.1147 2.3767 2.4800 2.5589 2.6201 3.0363 3.1934 3.3473 3.4588 3.5887 3.7202 4.3138 4.3665 4.5873 4.6434 8.2763 8.3038 8.6080 8.6216 8.9380 8.9736 9.3205 9.3606 k =-0.2671 0.3556 0.4447 ( 5647 PWs) bands (ev): -7.7924 -7.7902 -7.4685 -7.4642 -7.2981 -7.2977 -7.0319 -7.0281 -2.3247 -2.2819 -2.2448 -2.2051 -0.9622 -0.8434 -0.7278 -0.6417 -0.5727 -0.5266 -0.1402 -0.0603 0.3535 0.3892 0.9636 1.0459 1.7813 1.8031 2.0208 2.0947 2.3732 2.4749 2.5411 2.5951 3.0209 3.1692 3.3560 3.4662 3.6218 3.7585 4.3006 4.3495 4.5902 4.6434 8.2977 8.3239 8.6729 8.6844 8.9523 8.9847 9.3301 9.3689 k =-0.2582 0.3437 0.4299 ( 5639 PWs) bands (ev): -7.8161 -7.8141 -7.4514 -7.4470 -7.2899 -7.2893 -7.0292 -7.0254 -2.3223 -2.2794 -2.2403 -2.2051 -0.9535 -0.8424 -0.7233 -0.6441 -0.5746 -0.5274 -0.1550 -0.0792 0.3386 0.3725 0.9997 1.0812 1.7582 1.7879 2.0052 2.0766 2.3686 2.4626 2.5302 2.5719 3.0109 3.1492 3.3673 3.4735 3.6586 3.7990 4.2819 4.3277 4.5904 4.6412 8.3131 8.3374 8.7383 8.7482 8.9654 8.9943 9.3380 9.3744 k =-0.2493 0.3319 0.4151 ( 5629 PWs) bands (ev): -7.8408 -7.8391 -7.4337 -7.4293 -7.2807 -7.2800 -7.0265 -7.0228 -2.3195 -2.2770 -2.2358 -2.2051 -0.9445 -0.8420 -0.7190 -0.6497 -0.5737 -0.5281 -0.1722 -0.0963 0.3240 0.3560 1.0336 1.1147 1.7368 1.7746 1.9919 2.0603 2.3619 2.4433 2.5244 2.5516 3.0080 3.1351 3.3801 3.4807 3.6980 3.8413 4.2578 4.3016 4.5880 4.6373 8.3222 8.3439 8.8023 8.8123 8.9794 9.0037 9.3445 9.3777 k =-0.2404 0.3200 0.4003 ( 5641 PWs) bands (ev): -7.8663 -7.8648 -7.4156 -7.4113 -7.2708 -7.2700 -7.0239 -7.0202 -2.3162 -2.2746 -2.2314 -2.2052 -0.9355 -0.8420 -0.7154 -0.6575 -0.5708 -0.5287 -0.1911 -0.1112 0.3095 0.3398 1.0643 1.1455 1.7178 1.7636 1.9811 2.0463 2.3526 2.4200 2.5171 2.5374 3.0135 3.1280 3.3935 3.4872 3.7390 3.8851 4.2288 4.2718 4.5830 4.6319 8.3242 8.3432 8.8617 8.8753 8.9975 9.0144 9.3501 9.3792 k =-0.2315 0.3082 0.3854 ( 5639 PWs) bands (ev): -7.8922 -7.8909 -7.3972 -7.3929 -7.2604 -7.2594 -7.0213 -7.0177 -2.3125 -2.2721 -2.2270 -2.2054 -0.9269 -0.8422 -0.7132 -0.6660 -0.5667 -0.5289 -0.2110 -0.1240 0.2952 0.3240 1.0911 1.1726 1.7015 1.7551 1.9729 2.0349 2.3401 2.3949 2.5037 2.5312 3.0280 3.1291 3.4067 3.4923 3.7813 3.9300 4.1956 4.2387 4.5759 4.6258 8.3183 8.3351 8.9107 8.9333 9.0251 9.0306 9.3548 9.3783 k =-0.2226 0.2963 0.3706 ( 5639 PWs) bands (ev): -7.9183 -7.9172 -7.3786 -7.3743 -7.2495 -7.2485 -7.0188 -7.0152 -2.3084 -2.2696 -2.2227 -2.2057 -0.9194 -0.8418 -0.7133 -0.6737 -0.5623 -0.5285 -0.2311 -0.1349 0.2811 0.3085 1.1137 1.1956 1.6882 1.7488 1.9678 2.0266 2.3242 2.3692 2.4886 2.5276 3.0518 3.1388 3.4192 3.4952 3.8240 3.9754 4.1592 4.2027 4.5669 4.6193 8.3034 8.3193 8.9439 8.9782 9.0535 9.0719 9.3588 9.3736 k =-0.2137 0.2845 0.3558 ( 5659 PWs) bands (ev): -7.9444 -7.9435 -7.3599 -7.3557 -7.2384 -7.2373 -7.0163 -7.0129 -2.3041 -2.2671 -2.2187 -2.2060 -0.9140 -0.8398 -0.7167 -0.6794 -0.5583 -0.5271 -0.2504 -0.1441 0.2671 0.2933 1.1319 1.2138 1.6778 1.7440 1.9662 2.0217 2.3043 2.3440 2.4746 2.5237 3.0843 3.1570 3.4303 3.4955 3.8663 4.0198 4.1222 4.1644 4.5568 4.6133 8.2786 8.2955 8.9649 9.0050 9.0890 9.1278 9.3576 9.3666 k =-0.2048 0.2726 0.3410 ( 5659 PWs) bands (ev): -7.9703 -7.9695 -7.3412 -7.3371 -7.2271 -7.2260 -7.0139 -7.0106 -2.2994 -2.2645 -2.2151 -2.2062 -0.9117 -0.8353 -0.7233 -0.6829 -0.5549 -0.5246 -0.2684 -0.1520 0.2533 0.2785 1.1459 1.2273 1.6697 1.7399 1.9685 2.0209 2.2803 2.3198 2.4627 2.5194 3.1246 3.1830 3.4399 3.4925 3.9061 4.0505 4.0986 4.1252 4.5461 4.6083 8.2437 8.2630 8.9800 9.0214 9.1183 9.1825 9.3351 9.3739 k =-0.1959 0.2607 0.3261 ( 5659 PWs) bands (ev): -7.9958 -7.9952 -7.3226 -7.3186 -7.2158 -7.2147 -7.0116 -7.0084 -2.2946 -2.2620 -2.2121 -2.2060 -0.9129 -0.8278 -0.7319 -0.6854 -0.5523 -0.5210 -0.2845 -0.1586 0.2396 0.2641 1.1565 1.2365 1.6633 1.7355 1.9748 2.0243 2.2527 2.2965 2.4535 2.5151 3.1718 3.2151 3.4482 3.4862 3.9359 4.0357 4.0832 4.1301 4.5357 4.6048 8.1988 8.2210 8.9918 9.0335 9.1216 9.2017 9.3240 9.3946 k =-0.1870 0.2489 0.3113 ( 5659 PWs) bands (ev): -8.0209 -8.0204 -7.3041 -7.3003 -7.2046 -7.2035 -7.0093 -7.0063 -2.2895 -2.2595 -2.2104 -2.2049 -0.9171 -0.8177 -0.7415 -0.6875 -0.5504 -0.5168 -0.2981 -0.1640 0.2260 0.2500 1.1642 1.2420 1.6577 1.7300 1.9848 2.0317 2.2225 2.2737 2.4473 2.5113 3.2245 3.2506 3.4551 3.4778 3.9347 4.0192 4.0591 4.1747 4.5263 4.6034 8.1443 8.1693 8.9993 9.0417 9.0916 9.1491 9.3654 9.4319 k =-0.1781 0.2370 0.2965 ( 5655 PWs) bands (ev): -8.0454 -8.0449 -7.2859 -7.2823 -7.1935 -7.1923 -7.0072 -7.0043 -2.2844 -2.2570 -2.2101 -2.2028 -0.9237 -0.8060 -0.7513 -0.6897 -0.5491 -0.5125 -0.3091 -0.1682 0.2127 0.2363 1.1700 1.2450 1.6521 1.7232 1.9974 2.0426 2.1909 2.2513 2.4441 2.5087 3.2810 3.2857 3.4540 3.4773 3.9024 3.9856 4.0801 4.2214 4.5186 4.6042 8.0808 8.1080 8.9905 9.0365 9.0475 9.0747 9.4243 9.4792 k =-0.1692 0.2252 0.2817 ( 5653 PWs) bands (ev): -8.0692 -8.0688 -7.2680 -7.2645 -7.1826 -7.1814 -7.0051 -7.0024 -2.2792 -2.2545 -2.2104 -2.2005 -0.9319 -0.7948 -0.7597 -0.6918 -0.5481 -0.5086 -0.3171 -0.1714 0.1995 0.2231 1.1748 1.2463 1.6461 1.7151 2.0106 2.0558 2.1587 2.2299 2.4440 2.5076 3.3114 3.3417 3.4393 3.4955 3.8610 3.9453 4.1180 4.2680 4.5134 4.6076 8.0090 8.0377 8.9318 8.9674 9.0241 9.0582 9.4784 9.5229 k =-0.1603 0.2133 0.2668 ( 5653 PWs) bands (ev): -8.0923 -8.0919 -7.2504 -7.2472 -7.1719 -7.1708 -7.0032 -7.0006 -2.2739 -2.2521 -2.2108 -2.1984 -0.9409 -0.7906 -0.7608 -0.6934 -0.5477 -0.5055 -0.3219 -0.1734 0.1865 0.2102 1.1793 1.2470 1.6397 1.7060 2.0219 2.0694 2.1273 2.2108 2.4468 2.5083 3.3250 3.4018 3.4202 3.5280 3.8193 3.9068 4.1593 4.3135 4.5114 4.6136 7.9296 7.9591 8.8484 8.8741 9.0151 9.0521 9.5163 9.5508 k =-0.1514 0.2015 0.2520 ( 5649 PWs) bands (ev): -8.1144 -8.1141 -7.2333 -7.2303 -7.1616 -7.1605 -7.0014 -6.9990 -2.2687 -2.2498 -2.2113 -2.1966 -0.9504 -0.7978 -0.7504 -0.6942 -0.5478 -0.5036 -0.3236 -0.1745 0.1737 0.1978 1.1844 1.2479 1.6328 1.6963 2.0279 2.0751 2.1038 2.1959 2.4525 2.5111 3.3256 3.3981 3.4597 3.5694 3.7827 3.8744 4.2012 4.3572 4.5131 4.6219 7.8436 7.8733 8.7591 8.7807 8.9994 9.0388 9.5455 9.5746 k =-0.1425 0.1896 0.2372 ( 5649 PWs) bands (ev): -8.1357 -8.1354 -7.2167 -7.2139 -7.1516 -7.1505 -6.9997 -6.9975 -2.2636 -2.2476 -2.2118 -2.1952 -0.9599 -0.8099 -0.7355 -0.6940 -0.5486 -0.5028 -0.3223 -0.1745 0.1611 0.1858 1.1905 1.2495 1.6257 1.6863 2.0258 2.0534 2.1065 2.1867 2.4609 2.5162 3.3170 3.3760 3.5075 3.6054 3.7624 3.8546 4.2428 4.3978 4.5195 4.6325 7.7520 7.7812 8.6692 8.6891 8.9746 9.0162 9.5754 9.6028 k =-0.1336 0.1778 0.2224 ( 5653 PWs) bands (ev): -8.1559 -8.1557 -7.2007 -7.1981 -7.1420 -7.1410 -6.9982 -6.9962 -2.2587 -2.2454 -2.2123 -2.1942 -0.9691 -0.8235 -0.7198 -0.6924 -0.5501 -0.5030 -0.3185 -0.1736 0.1487 0.1741 1.1982 1.2526 1.6187 1.6764 2.0149 2.0230 2.1152 2.1824 2.4719 2.5236 3.3033 3.3541 3.5360 3.6130 3.7784 3.8568 4.2835 4.4334 4.5322 4.6450 7.6558 7.6841 8.5812 8.6003 8.9408 8.9837 9.6090 9.6364 k =-0.1247 0.1659 0.2075 ( 5663 PWs) bands (ev): -8.1751 -8.1749 -7.1853 -7.1829 -7.1329 -7.1320 -6.9968 -6.9950 -2.2539 -2.2434 -2.2126 -2.1937 -0.9779 -0.8379 -0.7054 -0.6878 -0.5524 -0.5039 -0.3125 -0.1719 0.1367 0.1627 1.2079 1.2575 1.6121 1.6670 1.9919 1.9969 2.1206 2.1803 2.4854 2.5335 3.2874 3.3336 3.5385 3.5930 3.8282 3.8871 4.3232 4.4625 4.5525 4.6591 7.5560 7.5829 8.4967 8.5149 8.8990 8.9422 9.6469 9.6749 k =-0.1158 0.1541 0.1927 ( 5671 PWs) bands (ev): -8.1931 -8.1930 -7.1707 -7.1685 -7.1243 -7.1234 -6.9955 -6.9939 -2.2493 -2.2414 -2.2129 -2.1935 -0.9860 -0.8526 -0.6962 -0.6771 -0.5555 -0.5054 -0.3049 -0.1695 0.1250 0.1516 1.2200 1.2646 1.6063 1.6583 1.9615 1.9742 2.1206 2.1768 2.5013 2.5458 3.2714 3.3151 3.5202 3.5628 3.8931 3.9400 4.3618 4.4851 4.5797 4.6744 7.4537 7.4789 8.4165 8.4338 8.8510 8.8933 9.6888 9.7177 k =-0.1069 0.1422 0.1779 ( 5653 PWs) bands (ev): -8.2100 -8.2099 -7.1567 -7.1548 -7.1162 -7.1153 -6.9944 -6.9930 -2.2450 -2.2395 -2.2131 -2.1937 -0.9934 -0.8673 -0.6908 -0.6620 -0.5592 -0.5070 -0.2960 -0.1665 0.1136 0.1407 1.2347 1.2741 1.6014 1.6506 1.9318 1.9488 2.1143 2.1694 2.5190 2.5601 3.2572 3.2991 3.4915 3.5293 3.9641 4.0053 4.3995 4.5042 4.6108 4.6906 7.3498 7.3730 8.3413 8.3574 8.7987 8.8394 9.7339 9.7638 k =-0.0979 0.1304 0.1631 ( 5647 PWs) bands (ev): -8.2257 -8.2256 -7.1436 -7.1419 -7.1086 -7.1078 -6.9935 -6.9923 -2.2409 -2.2377 -2.2132 -2.1943 -0.9998 -0.8819 -0.6861 -0.6461 -0.5633 -0.5088 -0.2861 -0.1631 0.1027 0.1300 1.2521 1.2862 1.5976 1.6442 1.9030 1.9220 2.1014 2.1568 2.5382 2.5759 3.2457 3.2861 3.4595 3.4949 4.0374 4.0756 4.4364 4.5223 4.6431 4.7074 7.2453 7.2663 8.2714 8.2861 8.7442 8.7825 9.7814 9.8122 k =-0.0890 0.1185 0.1482 ( 5647 PWs) bands (ev): -8.2402 -8.2401 -7.1314 -7.1299 -7.1016 -7.1009 -6.9927 -6.9917 -2.2372 -2.2359 -2.2133 -2.1953 -1.0052 -0.8962 -0.6813 -0.6306 -0.5677 -0.5105 -0.2755 -0.1595 0.0923 0.1195 1.2722 1.3009 1.5951 1.6393 1.8753 1.8947 2.0820 2.1385 2.5582 2.5926 3.2376 3.2763 3.4275 3.4609 4.1101 4.1465 4.4733 4.5415 4.6748 4.7245 7.1413 7.1600 8.2072 8.2205 8.6892 8.7246 9.8302 9.8619 k =-0.0801 0.1067 0.1334 ( 5661 PWs) bands (ev): -8.2533 -8.2532 -7.1200 -7.1188 -7.0952 -7.0945 -6.9921 -6.9913 -2.2343 -2.2336 -2.2133 -2.1966 -1.0096 -0.9099 -0.6762 -0.6163 -0.5720 -0.5121 -0.2643 -0.1559 0.0825 0.1091 1.2951 1.3183 1.5937 1.6363 1.8486 1.8675 2.0567 2.1147 2.5782 2.6094 3.2331 3.2694 3.3970 3.4283 4.1797 4.2145 4.5111 4.5634 4.7050 4.7415 7.0388 7.0552 8.1490 8.1606 8.6352 8.6675 9.8795 9.9120 k =-0.0712 0.0948 0.1186 ( 5655 PWs) bands (ev): -8.2652 -8.2651 -7.1097 -7.1086 -7.0894 -7.0888 -6.9917 -6.9910 -2.2325 -2.2306 -2.2132 -2.1981 -1.0129 -0.9231 -0.6709 -0.6045 -0.5749 -0.5136 -0.2527 -0.1525 0.0734 0.0990 1.3204 1.3384 1.5935 1.6355 1.8227 1.8411 2.0261 2.0861 2.5976 2.6256 3.2319 3.2653 3.3691 3.3981 4.2434 4.2764 4.5509 4.5896 4.7331 4.7584 6.9391 6.9531 8.0968 8.1068 8.5837 8.6127 9.9284 9.9615 k =-0.0623 0.0830 0.1038 ( 5657 PWs) bands (ev): -8.2757 -8.2757 -7.1003 -7.0995 -7.0842 -7.0837 -6.9914 -6.9909 -2.2308 -2.2278 -2.2132 -2.1999 -1.0151 -0.9356 -0.6654 -0.5979 -0.5740 -0.5150 -0.2408 -0.1497 0.0650 0.0892 1.3476 1.3612 1.5941 1.6374 1.7973 1.8162 1.9913 2.0534 2.6159 2.6407 3.2335 3.2633 3.3442 3.3705 4.2989 4.3293 4.5937 4.6211 4.7591 4.7748 6.8435 6.8551 8.0507 8.0593 8.5358 8.5614 9.9759 10.0091 k =-0.0534 0.0711 0.0889 ( 5653 PWs) bands (ev): -8.2849 -8.2848 -7.0921 -7.0914 -7.0796 -7.0792 -6.9913 -6.9909 -2.2290 -2.2253 -2.2131 -2.2018 -1.0162 -0.9474 -0.6598 -0.5982 -0.5675 -0.5163 -0.2287 -0.1477 0.0576 0.0798 1.3757 1.3873 1.5953 1.6423 1.7723 1.7937 1.9534 2.0179 2.6325 2.6542 3.2373 3.2628 3.3227 3.3461 4.3445 4.3713 4.6392 4.6578 4.7831 4.7908 6.7535 6.7630 8.0109 8.0180 8.4926 8.5146 10.0213 10.0534 k =-0.0445 0.0593 0.0741 ( 5653 PWs) bands (ev): -8.2927 -8.2926 -7.0851 -7.0846 -7.0757 -7.0753 -6.9913 -6.9910 -2.2272 -2.2231 -2.2131 -2.2039 -1.0162 -0.9584 -0.6542 -0.6018 -0.5590 -0.5176 -0.2166 -0.1466 0.0513 0.0709 1.4032 1.4169 1.5969 1.6501 1.7478 1.7739 1.9138 1.9804 2.6473 2.6656 3.2426 3.2631 3.3049 3.3250 4.3801 4.4025 4.6855 4.6970 4.8056 4.8066 6.6711 6.6784 7.9773 7.9830 8.4549 8.4733 10.0636 10.0930 k =-0.0356 0.0474 0.0593 ( 5647 PWs) bands (ev): -8.2991 -8.2990 -7.0793 -7.0789 -7.0723 -7.0719 -6.9913 -6.9911 -2.2253 -2.2213 -2.2132 -2.2061 -1.0151 -0.9685 -0.6486 -0.6064 -0.5509 -0.5190 -0.2047 -0.1469 0.0463 0.0628 1.4300 1.4484 1.5990 1.6605 1.7242 1.7572 1.8743 1.9423 2.6599 2.6748 3.2488 3.2635 3.2909 3.3074 4.4068 4.4244 4.7281 4.7343 4.8232 4.8274 6.5984 6.6038 7.9499 7.9544 8.4234 8.4382 10.1015 10.1260 k =-0.0267 0.0356 0.0445 ( 5647 PWs) bands (ev): -8.3041 -8.3040 -7.0749 -7.0746 -7.0694 -7.0692 -6.9914 -6.9913 -2.2234 -2.2198 -2.2133 -2.2082 -1.0128 -0.9778 -0.6431 -0.6115 -0.5437 -0.5206 -0.1932 -0.1487 0.0427 0.0556 1.4559 1.4790 1.6021 1.6721 1.7024 1.7437 1.8379 1.9048 2.6703 2.6816 3.2550 3.2633 3.2805 3.2936 4.4261 4.4389 4.7614 4.7649 4.8418 4.8490 6.5379 6.5416 7.9288 7.9320 8.3987 8.4099 10.1329 10.1509 k =-0.0178 0.0237 0.0296 ( 5657 PWs) bands (ev): -8.3077 -8.3076 -7.0719 -7.0717 -7.0672 -7.0670 -6.9915 -6.9915 -2.2216 -2.2188 -2.2134 -2.2103 -1.0095 -0.9861 -0.6376 -0.6166 -0.5375 -0.5226 -0.1824 -0.1521 0.0407 0.0496 1.4800 1.5041 1.6082 1.6783 1.6874 1.7321 1.8106 1.8693 2.6783 2.6859 3.2605 3.2628 3.2733 3.2837 4.4394 4.4477 4.7829 4.7855 4.8617 4.8686 6.4921 6.4944 7.9139 7.9160 8.3813 8.3888 10.1556 10.1671 k =-0.0089 0.0119 0.0148 ( 5665 PWs) bands (ev): -8.3098 -8.3098 -7.0702 -7.0701 -7.0656 -7.0656 -6.9916 -6.9916 -2.2198 -2.2182 -2.2135 -2.2120 -1.0052 -0.9934 -0.6323 -0.6218 -0.5325 -0.5252 -0.1727 -0.1573 0.0404 0.0449 1.5004 1.5168 1.6210 1.6610 1.6950 1.7189 1.8018 1.8378 2.6839 2.6877 3.2618 3.2651 3.2693 3.2772 4.4478 4.4518 4.7947 4.7961 4.8781 4.8820 6.4636 6.4647 7.9051 7.9062 8.3715 8.3752 10.1692 10.1748 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -8.3105 -8.3105 -7.0697 -7.0697 -7.0651 -7.0651 -6.9917 -6.9917 -2.2186 -2.2186 -2.2131 -2.2131 -0.9998 -0.9998 -0.6270 -0.6270 -0.5284 -0.5284 -0.1642 -0.1642 0.0418 0.0418 1.5143 1.5143 1.6405 1.6405 1.7054 1.7054 1.8133 1.8133 2.6870 2.6870 3.2632 3.2632 3.2724 3.2724 4.4518 4.4518 4.7989 4.7989 4.8855 4.8855 6.4543 6.4543 7.9025 7.9025 8.3694 8.3694 10.1753 10.1753 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -8.3105 -8.3105 -7.0697 -7.0697 -7.0651 -7.0651 -6.9917 -6.9917 -2.2186 -2.2186 -2.2131 -2.2131 -0.9998 -0.9998 -0.6270 -0.6270 -0.5284 -0.5284 -0.1642 -0.1642 0.0418 0.0418 1.5143 1.5143 1.6405 1.6405 1.7054 1.7054 1.8133 1.8133 2.6870 2.6870 3.2632 3.2632 3.2724 3.2724 4.4518 4.4518 4.7989 4.7989 4.8855 4.8855 6.4543 6.4543 7.9025 7.9025 8.3694 8.3694 10.1753 10.1753 k = 0.0167 0.0125 0.0000 ( 5649 PWs) bands (ev): -8.3098 -8.3098 -7.0697 -7.0697 -7.0651 -7.0651 -6.9928 -6.9928 -2.2207 -2.2207 -2.2114 -2.2114 -0.9997 -0.9997 -0.6265 -0.6265 -0.5288 -0.5288 -0.1637 -0.1637 0.0398 0.0398 1.5178 1.5178 1.6412 1.6412 1.7066 1.7066 1.8122 1.8122 2.6892 2.6892 3.2642 3.2642 3.2739 3.2739 4.4486 4.4486 4.7950 4.7950 4.8835 4.8835 6.4595 6.4595 7.9050 7.9050 8.3707 8.3707 10.1617 10.1617 k = 0.0333 0.0250 0.0000 ( 5641 PWs) bands (ev): -8.3076 -8.3076 -7.0698 -7.0698 -7.0652 -7.0652 -6.9961 -6.9961 -2.2246 -2.2246 -2.2086 -2.2086 -0.9994 -0.9994 -0.6249 -0.6249 -0.5299 -0.5299 -0.1621 -0.1621 0.0340 0.0340 1.5282 1.5282 1.6434 1.6434 1.7102 1.7102 1.8090 1.8090 2.6958 2.6958 3.2673 3.2673 3.2781 3.2781 4.4390 4.4390 4.7836 4.7836 4.8772 4.8772 6.4749 6.4749 7.9122 7.9122 8.3747 8.3747 10.1231 10.1231 k = 0.0500 0.0376 0.0000 ( 5633 PWs) bands (ev): -8.3039 -8.3039 -7.0699 -7.0699 -7.0653 -7.0653 -7.0016 -7.0016 -2.2291 -2.2291 -2.2060 -2.2060 -0.9988 -0.9988 -0.6223 -0.6223 -0.5318 -0.5318 -0.1595 -0.1595 0.0246 0.0246 1.5451 1.5451 1.6469 1.6469 1.7162 1.7162 1.8041 1.8041 2.7066 2.7066 3.2726 3.2726 3.2850 3.2850 4.4230 4.4230 4.7655 4.7655 4.8669 4.8669 6.4998 6.4998 7.9240 7.9240 8.3815 8.3815 10.0637 10.0637 k = 0.0667 0.0501 0.0000 ( 5633 PWs) bands (ev): -8.2988 -8.2988 -7.0701 -7.0701 -7.0655 -7.0655 -7.0093 -7.0093 -2.2339 -2.2339 -2.2038 -2.2038 -0.9980 -0.9980 -0.6189 -0.6189 -0.5344 -0.5344 -0.1560 -0.1560 0.0125 0.0125 1.5676 1.5676 1.6514 1.6514 1.7246 1.7246 1.7982 1.7982 2.7213 2.7213 3.2800 3.2800 3.2945 3.2945 4.4007 4.4007 4.7415 4.7415 4.8526 4.8526 6.5333 6.5333 7.9399 7.9399 8.3910 8.3910 9.9879 9.9879 k = 0.0833 0.0626 0.0000 ( 5649 PWs) bands (ev): -8.2922 -8.2922 -7.0704 -7.0704 -7.0657 -7.0657 -7.0191 -7.0191 -2.2389 -2.2389 -2.2020 -2.2020 -0.9971 -0.9971 -0.6150 -0.6150 -0.5377 -0.5377 -0.1518 -0.1518 -0.0015 -0.0015 1.5941 1.5941 1.6570 1.6571 1.7354 1.7354 1.7926 1.7926 2.7396 2.7396 3.2896 3.2896 3.3064 3.3064 4.3725 4.3725 4.7128 4.7128 4.8345 4.8345 6.5741 6.5741 7.9595 7.9595 8.4036 8.4036 9.8995 9.8995 k = 0.1000 0.0751 0.0000 ( 5657 PWs) bands (ev): -8.2842 -8.2842 -7.0707 -7.0707 -7.0660 -7.0660 -7.0310 -7.0310 -2.2440 -2.2440 -2.2007 -2.2007 -0.9960 -0.9960 -0.6108 -0.6108 -0.5416 -0.5416 -0.1475 -0.1475 -0.0162 -0.0161 1.6209 1.6209 1.6654 1.6654 1.7483 1.7483 1.7892 1.7892 2.7611 2.7611 3.3014 3.3014 3.3205 3.3205 4.3387 4.3387 4.6805 4.6805 4.8129 4.8129 6.6210 6.6210 7.9820 7.9820 8.4193 8.4193 9.8014 9.8014 k = 0.1167 0.0876 0.0000 ( 5677 PWs) bands (ev): -8.2748 -8.2748 -7.0712 -7.0712 -7.0663 -7.0663 -7.0449 -7.0449 -2.2493 -2.2493 -2.1998 -2.1998 -0.9948 -0.9948 -0.6068 -0.6068 -0.5460 -0.5460 -0.1443 -0.1443 -0.0294 -0.0294 1.6373 1.6373 1.6841 1.6841 1.7627 1.7627 1.7910 1.7910 2.7853 2.7853 3.3152 3.3152 3.3368 3.3368 4.2998 4.2998 4.6455 4.6455 4.7879 4.7879 6.6727 6.6727 8.0065 8.0065 8.4385 8.4385 9.6960 9.6960 k = 0.1333 0.1002 0.0000 ( 5677 PWs) bands (ev): -8.2640 -8.2640 -7.0718 -7.0718 -7.0667 -7.0667 -7.0604 -7.0604 -2.2545 -2.2545 -2.1994 -2.1994 -0.9935 -0.9934 -0.6033 -0.6033 -0.5508 -0.5508 -0.1439 -0.1439 -0.0386 -0.0386 1.6385 1.6385 1.7145 1.7145 1.7766 1.7767 1.8029 1.8029 2.8119 2.8119 3.3310 3.3310 3.3550 3.3550 4.2567 4.2567 4.6086 4.6086 4.7599 4.7599 6.7280 6.7280 8.0321 8.0321 8.4611 8.4611 9.5854 9.5854 k = 0.1500 0.1127 0.0000 ( 5669 PWs) bands (ev): -8.2518 -8.2518 -7.0794 -7.0794 -7.0712 -7.0712 -7.0669 -7.0669 -2.2597 -2.2597 -2.1994 -2.1994 -0.9920 -0.9920 -0.6011 -0.6011 -0.5558 -0.5558 -0.1484 -0.1484 -0.0409 -0.0409 1.6310 1.6310 1.7467 1.7467 1.7904 1.7904 1.8272 1.8272 2.8404 2.8404 3.3485 3.3485 3.3750 3.3750 4.2101 4.2101 4.5703 4.5703 4.7292 4.7292 6.7858 6.7858 8.0579 8.0579 8.4874 8.4874 9.4714 9.4714 k = 0.1667 0.1252 0.0000 ( 5661 PWs) bands (ev): -8.2382 -8.2382 -7.0985 -7.0985 -7.0721 -7.0721 -7.0673 -7.0673 -2.2649 -2.2649 -2.1998 -2.1998 -0.9904 -0.9904 -0.6006 -0.6006 -0.5607 -0.5607 -0.1582 -0.1582 -0.0352 -0.0352 1.6182 1.6182 1.7755 1.7755 1.8073 1.8073 1.8620 1.8620 2.8705 2.8705 3.3675 3.3675 3.3966 3.3966 4.1611 4.1611 4.5310 4.5310 4.6962 4.6962 6.8450 6.8450 8.0828 8.0828 8.5171 8.5171 9.3555 9.3556 k = 0.1833 0.1377 0.0000 ( 5677 PWs) bands (ev): -8.2233 -8.2233 -7.1196 -7.1196 -7.0726 -7.0726 -7.0678 -7.0678 -2.2699 -2.2699 -2.2006 -2.2006 -0.9887 -0.9887 -0.6026 -0.6026 -0.5651 -0.5651 -0.1717 -0.1717 -0.0225 -0.0225 1.6018 1.6018 1.8005 1.8006 1.8278 1.8278 1.9045 1.9045 2.9017 2.9017 3.3880 3.3880 3.4195 3.4195 4.1105 4.1105 4.4910 4.4910 4.6611 4.6611 6.9044 6.9044 8.1062 8.1062 8.5496 8.5496 9.2392 9.2392 k = 0.2000 0.1503 0.0000 ( 5669 PWs) bands (ev): -8.2070 -8.2070 -7.1424 -7.1424 -7.0732 -7.0732 -7.0682 -7.0682 -2.2748 -2.2748 -2.2018 -2.2018 -0.9869 -0.9869 -0.6074 -0.6074 -0.5689 -0.5689 -0.1866 -0.1866 -0.0046 -0.0046 1.5828 1.5828 1.8240 1.8240 1.8510 1.8510 1.9517 1.9517 2.9338 2.9338 3.4095 3.4095 3.4434 3.4434 4.0595 4.0595 4.4507 4.4507 4.6245 4.6245 6.9631 6.9631 8.1276 8.1276 8.5839 8.5839 9.1235 9.1235 k = 0.2167 0.1628 0.0000 ( 5677 PWs) bands (ev): -8.1895 -8.1895 -7.1667 -7.1667 -7.0737 -7.0737 -7.0687 -7.0687 -2.2794 -2.2794 -2.2032 -2.2032 -0.9849 -0.9849 -0.6149 -0.6149 -0.5724 -0.5724 -0.2015 -0.2015 0.0174 0.0174 1.5621 1.5621 1.8477 1.8477 1.8757 1.8757 2.0013 2.0013 2.9664 2.9664 3.4319 3.4319 3.4681 3.4681 4.0089 4.0089 4.4103 4.4103 4.5868 4.5869 7.0198 7.0198 8.1470 8.1470 8.6184 8.6184 9.0099 9.0099 k = 0.2333 0.1753 0.0000 ( 5677 PWs) bands (ev): -8.1707 -8.1707 -7.1924 -7.1924 -7.0743 -7.0743 -7.0691 -7.0691 -2.2838 -2.2838 -2.2049 -2.2049 -0.9827 -0.9826 -0.6247 -0.6247 -0.5759 -0.5759 -0.2155 -0.2155 0.0427 0.0427 1.5401 1.5401 1.8722 1.8722 1.9015 1.9016 2.0516 2.0516 2.9991 2.9991 3.4547 3.4547 3.4931 3.4931 3.9596 3.9596 4.3700 4.3700 4.5485 4.5485 7.0734 7.0734 8.1645 8.1645 8.6500 8.6500 8.9003 8.9003 k = 0.2500 0.1878 0.0000 ( 5661 PWs) bands (ev): -8.1508 -8.1508 -7.2193 -7.2193 -7.0748 -7.0748 -7.0696 -7.0696 -2.2880 -2.2880 -2.2069 -2.2069 -0.9802 -0.9802 -0.6364 -0.6364 -0.5797 -0.5797 -0.2281 -0.2281 0.0707 0.0707 1.5172 1.5172 1.8976 1.8976 1.9282 1.9282 2.1017 2.1017 3.0317 3.0317 3.4777 3.4777 3.5179 3.5179 3.9125 3.9125 4.3304 4.3304 4.5101 4.5101 7.1224 7.1224 8.1810 8.1810 8.6716 8.6716 8.7999 8.7999 k = 0.2667 0.2003 0.0000 ( 5677 PWs) bands (ev): -8.1296 -8.1296 -7.2474 -7.2474 -7.0754 -7.0754 -7.0701 -7.0701 -2.2919 -2.2919 -2.2090 -2.2090 -0.9775 -0.9775 -0.6498 -0.6498 -0.5839 -0.5839 -0.2392 -0.2392 0.1010 0.1010 1.4935 1.4935 1.9238 1.9239 1.9554 1.9554 2.1506 2.1506 3.0639 3.0639 3.5004 3.5004 3.5420 3.5420 3.8684 3.8684 4.2918 4.2918 4.4720 4.4720 7.1653 7.1653 8.1973 8.1973 8.6483 8.6483 8.7317 8.7317 k = 0.2833 0.2129 0.0000 ( 5665 PWs) bands (ev): -8.1074 -8.1074 -7.2765 -7.2765 -7.0759 -7.0759 -7.0706 -7.0706 -2.2954 -2.2954 -2.2112 -2.2112 -0.9745 -0.9745 -0.6645 -0.6645 -0.5883 -0.5883 -0.2486 -0.2486 0.1332 0.1332 1.4694 1.4694 1.9507 1.9507 1.9829 1.9829 2.1976 2.1976 3.0953 3.0953 3.5223 3.5223 3.5646 3.5646 3.8282 3.8282 4.2548 4.2548 4.4349 4.4349 7.2009 7.2009 8.2143 8.2143 8.5666 8.5666 8.6413 8.6413 k = 0.3000 0.2254 0.0000 ( 5665 PWs) bands (ev): -8.0841 -8.0841 -7.3065 -7.3065 -7.0765 -7.0765 -7.0710 -7.0710 -2.2987 -2.2987 -2.2136 -2.2136 -0.9712 -0.9712 -0.6802 -0.6802 -0.5930 -0.5930 -0.2566 -0.2566 0.1667 0.1667 1.4449 1.4449 1.9779 1.9779 2.0104 2.0104 2.2420 2.2420 3.1257 3.1257 3.5430 3.5430 3.5848 3.5848 3.7927 3.7927 4.2199 4.2199 4.3993 4.3993 7.2280 7.2280 8.2319 8.2319 8.4790 8.4790 8.5451 8.5451 k = 0.3167 0.2379 0.0000 ( 5649 PWs) bands (ev): -8.0598 -8.0598 -7.3372 -7.3372 -7.0770 -7.0770 -7.0715 -7.0715 -2.3017 -2.3017 -2.2160 -2.2159 -0.9675 -0.9675 -0.6967 -0.6967 -0.5977 -0.5977 -0.2632 -0.2632 0.2013 0.2013 1.4203 1.4203 2.0051 2.0051 2.0377 2.0377 2.2833 2.2833 3.1549 3.1549 3.5620 3.5620 3.6015 3.6015 3.7630 3.7630 4.1878 4.1878 4.3658 4.3658 7.2459 7.2459 8.2450 8.2450 8.4034 8.4034 8.4533 8.4533 k = 0.3333 0.2504 0.0000 ( 5641 PWs) bands (ev): -8.0345 -8.0345 -7.3685 -7.3685 -7.0774 -7.0774 -7.0719 -7.0719 -2.3043 -2.3043 -2.2183 -2.2183 -0.9633 -0.9633 -0.7136 -0.7136 -0.6023 -0.6023 -0.2686 -0.2686 0.2363 0.2363 1.3957 1.3957 2.0320 2.0320 2.0644 2.0645 2.3209 2.3209 3.1825 3.1825 3.5788 3.5788 3.6131 3.6131 3.7402 3.7402 4.1593 4.1593 4.3349 4.3349 7.2547 7.2547 8.2321 8.2321 8.3597 8.3597 8.3715 8.3715 k = 0.3500 0.2629 0.0000 ( 5641 PWs) bands (ev): -8.0085 -8.0085 -7.4003 -7.4003 -7.0779 -7.0779 -7.0723 -7.0723 -2.3067 -2.3067 -2.2206 -2.2206 -0.9587 -0.9587 -0.7307 -0.7307 -0.6067 -0.6067 -0.2730 -0.2730 0.2712 0.2712 1.3713 1.3713 2.0583 2.0583 2.0902 2.0902 2.3546 2.3546 3.2083 3.2083 3.5928 3.5928 3.6185 3.6185 3.7250 3.7250 4.1349 4.1349 4.3072 4.3072 7.2551 7.2551 8.1802 8.1802 8.2852 8.2852 8.3771 8.3771 k = 0.3667 0.2755 0.0000 ( 5641 PWs) bands (ev): -7.9817 -7.9817 -7.4323 -7.4323 -7.0783 -7.0783 -7.0727 -7.0727 -2.3087 -2.3087 -2.2229 -2.2229 -0.9537 -0.9537 -0.7478 -0.7477 -0.6109 -0.6109 -0.2766 -0.2766 0.3055 0.3055 1.3473 1.3473 2.0835 2.0835 2.1147 2.1147 2.3841 2.3841 3.2321 3.2321 3.6033 3.6033 3.6184 3.6184 3.7168 3.7168 4.1152 4.1152 4.2829 4.2829 7.2485 7.2485 8.1167 8.1167 8.2114 8.2114 8.4116 8.4116 k = 0.3833 0.2880 0.0000 ( 5633 PWs) bands (ev): -7.9544 -7.9544 -7.4644 -7.4644 -7.0787 -7.0787 -7.0730 -7.0730 -2.3105 -2.3105 -2.2249 -2.2249 -0.9481 -0.9481 -0.7644 -0.7644 -0.6147 -0.6147 -0.2795 -0.2795 0.3386 0.3386 1.3242 1.3242 2.1073 2.1073 2.1375 2.1375 2.4092 2.4092 3.2538 3.2538 3.6068 3.6069 3.6186 3.6186 3.7127 3.7127 4.1004 4.1004 4.2624 4.2624 7.2368 7.2368 8.0552 8.0552 8.1447 8.1447 8.4544 8.4544 k = 0.4000 0.3005 0.0000 ( 5658 PWs) bands (ev): -7.9267 -7.9267 -7.4963 -7.4963 -7.0790 -7.0790 -7.0733 -7.0733 -2.3120 -2.3120 -2.2268 -2.2268 -0.9421 -0.9421 -0.7805 -0.7805 -0.6181 -0.6181 -0.2818 -0.2818 0.3697 0.3697 1.3023 1.3023 2.1292 2.1292 2.1582 2.1583 2.4302 2.4302 3.2730 3.2730 3.6025 3.6025 3.6225 3.6225 3.7101 3.7101 4.0904 4.0904 4.2456 4.2456 7.2220 7.2220 7.9994 7.9994 8.0855 8.0855 8.4986 8.4986 k = 0.4167 0.3130 0.0000 ( 5658 PWs) bands (ev): -7.8990 -7.8990 -7.5277 -7.5277 -7.0793 -7.0793 -7.0736 -7.0736 -2.3132 -2.3132 -2.2285 -2.2285 -0.9358 -0.9358 -0.7957 -0.7957 -0.6210 -0.6210 -0.2836 -0.2836 0.3982 0.3982 1.2822 1.2822 2.1487 2.1487 2.1765 2.1765 2.4473 2.4473 3.2897 3.2897 3.5967 3.5967 3.6258 3.6258 3.7074 3.7074 4.0844 4.0844 4.2324 4.2324 7.2059 7.2059 7.9510 7.9510 8.0345 8.0345 8.5370 8.5370 k = 0.4333 0.3256 0.0000 ( 5650 PWs) bands (ev): -7.8718 -7.8718 -7.5580 -7.5580 -7.0796 -7.0796 -7.0738 -7.0738 -2.3142 -2.3142 -2.2299 -2.2299 -0.9291 -0.9291 -0.8097 -0.8097 -0.6235 -0.6235 -0.2850 -0.2850 0.4231 0.4231 1.2644 1.2644 2.1655 2.1655 2.1920 2.1920 2.4606 2.4606 3.3037 3.3037 3.5914 3.5914 3.6277 3.6277 3.7044 3.7044 4.0816 4.0816 4.2224 4.2224 7.1903 7.1903 7.9105 7.9105 7.9921 7.9921 8.5610 8.5610 k = 0.4500 0.3381 0.0000 ( 5646 PWs) bands (ev): -7.8459 -7.8459 -7.5863 -7.5863 -7.0798 -7.0798 -7.0740 -7.0740 -2.3150 -2.3150 -2.2311 -2.2311 -0.9225 -0.9225 -0.8222 -0.8222 -0.6254 -0.6254 -0.2860 -0.2860 0.4437 0.4437 1.2495 1.2495 2.1790 2.1790 2.2043 2.2044 2.4705 2.4705 3.3148 3.3148 3.5870 3.5870 3.6285 3.6285 3.7014 3.7014 4.0809 4.0809 4.2153 4.2153 7.1767 7.1767 7.8786 7.8786 7.9586 7.9586 8.5692 8.5692 k = 0.4667 0.3506 0.0000 ( 5638 PWs) bands (ev): -7.8231 -7.8231 -7.6109 -7.6109 -7.0799 -7.0799 -7.0741 -7.0741 -2.3155 -2.3155 -2.2319 -2.2319 -0.9165 -0.9165 -0.8325 -0.8325 -0.6268 -0.6268 -0.2867 -0.2867 0.4591 0.4591 1.2383 1.2383 2.1889 2.1890 2.2134 2.2134 2.4774 2.4774 3.3229 3.3229 3.5838 3.5838 3.6285 3.6285 3.6989 3.6989 4.0811 4.0811 4.2106 4.2106 7.1661 7.1661 7.8556 7.8556 7.9345 7.9345 8.5694 8.5694 k = 0.4833 0.3631 0.0000 ( 5638 PWs) bands (ev): -7.8062 -7.8062 -7.6288 -7.6288 -7.0800 -7.0800 -7.0742 -7.0742 -2.3158 -2.3158 -2.2324 -2.2324 -0.9121 -0.9121 -0.8396 -0.8396 -0.6277 -0.6277 -0.2871 -0.2871 0.4686 0.4686 1.2313 1.2313 2.1951 2.1951 2.2188 2.2188 2.4814 2.4814 3.3278 3.3278 3.5818 3.5818 3.6284 3.6284 3.6972 3.6972 4.0817 4.0817 4.2079 4.2079 7.1595 7.1595 7.8417 7.8417 7.9199 7.9199 8.5678 8.5678 k = 0.5000 0.3756 0.0000 ( 5654 PWs) bands (ev): -7.7998 -7.7998 -7.6356 -7.6356 -7.0800 -7.0800 -7.0742 -7.0742 -2.3159 -2.3159 -2.2326 -2.2326 -0.9104 -0.9104 -0.8421 -0.8421 -0.6280 -0.6280 -0.2872 -0.2872 0.4719 0.4719 1.2289 1.2289 2.1971 2.1971 2.2207 2.2207 2.4827 2.4827 3.3295 3.3295 3.5811 3.5811 3.6283 3.6283 3.6966 3.6966 4.0819 4.0819 4.2070 4.2070 7.1572 7.1572 7.8371 7.8371 7.9150 7.9150 8.5670 8.5670 k = 0.5000 0.3756 0.0000 ( 5654 PWs) bands (ev): -7.7998 -7.7998 -7.6356 -7.6356 -7.0800 -7.0800 -7.0742 -7.0742 -2.3159 -2.3159 -2.2326 -2.2326 -0.9104 -0.9104 -0.8421 -0.8421 -0.6280 -0.6280 -0.2872 -0.2872 0.4719 0.4719 1.2289 1.2289 2.1971 2.1971 2.2207 2.2207 2.4827 2.4827 3.3295 3.3295 3.5811 3.5811 3.6283 3.6283 3.6966 3.6966 4.0819 4.0819 4.2070 4.2070 7.1572 7.1572 7.8371 7.8371 7.9150 7.9150 8.5670 8.5670 k = 0.4910 0.3876 0.0149 ( 5638 PWs) bands (ev): -7.7995 -7.7992 -7.6354 -7.6352 -7.0807 -7.0804 -7.0746 -7.0745 -2.3173 -2.3144 -2.2372 -2.2284 -0.9177 -0.9044 -0.8570 -0.8246 -0.6320 -0.6226 -0.2971 -0.2757 0.4694 0.4744 1.2228 1.2285 2.1930 2.2019 2.2201 2.2220 2.4797 2.4851 3.3249 3.3307 3.5498 3.5913 3.6281 3.6342 3.6760 3.7268 4.0716 4.0935 4.2053 4.2087 7.1610 7.1614 7.8337 7.8433 7.9162 7.9171 8.5663 8.5789 k = 0.4821 0.3995 0.0299 ( 5640 PWs) bands (ev): -7.7982 -7.7976 -7.6345 -7.6342 -7.0828 -7.0823 -7.0754 -7.0751 -2.3185 -2.3126 -2.2422 -2.2247 -0.9262 -0.9003 -0.8672 -0.8058 -0.6344 -0.6161 -0.3053 -0.2623 0.4671 0.4771 1.2106 1.2217 2.1889 2.2064 2.2203 2.2257 2.4761 2.4870 3.3176 3.3277 3.5134 3.5705 3.6258 3.6369 3.6851 3.7578 4.0629 4.1044 4.2039 4.2116 7.1726 7.1735 7.8329 7.8524 7.9210 7.9223 8.5768 8.6011 k = 0.4731 0.4115 0.0448 ( 5632 PWs) bands (ev): -7.7961 -7.7952 -7.6330 -7.6326 -7.0870 -7.0864 -7.0758 -7.0752 -2.3194 -2.3108 -2.2476 -2.2214 -0.9361 -0.8997 -0.8706 -0.7870 -0.6347 -0.6084 -0.3117 -0.2473 0.4650 0.4799 1.1926 1.2086 2.1835 2.2077 2.2228 2.2337 2.4722 2.4881 3.3076 3.3189 3.4767 3.5339 3.6169 3.6369 3.7118 3.7878 4.0544 4.1108 4.2045 4.2186 7.1920 7.1933 7.8343 7.8639 7.9292 7.9327 8.5982 8.6325 k = 0.4641 0.4234 0.0598 ( 5648 PWs) bands (ev): -7.7931 -7.7919 -7.6308 -7.6303 -7.0936 -7.0928 -7.0756 -7.0748 -2.3201 -2.3088 -2.2532 -2.2186 -0.9470 -0.9020 -0.8677 -0.7695 -0.6326 -0.5997 -0.3162 -0.2305 0.4631 0.4827 1.1695 1.1898 2.1760 2.2046 2.2288 2.2457 2.4680 2.4888 3.2947 3.3024 3.4432 3.4916 3.6062 3.6353 3.7411 3.8163 4.0443 4.1091 4.2090 4.2326 7.2185 7.2203 7.8379 7.8767 7.9419 7.9496 8.6298 8.6718 k = 0.4551 0.4354 0.0747 ( 5642 PWs) bands (ev): -7.7892 -7.7878 -7.6281 -7.6275 -7.1020 -7.1012 -7.0751 -7.0740 -2.3206 -2.3066 -2.2590 -2.2163 -0.9581 -0.9046 -0.8617 -0.7544 -0.6278 -0.5896 -0.3186 -0.2119 0.4615 0.4857 1.1421 1.1660 2.1664 2.1984 2.2372 2.2603 2.4638 2.4889 3.2734 3.2810 3.4137 3.4506 3.5937 3.6309 3.7701 3.8432 4.0312 4.0999 4.2184 4.2535 7.2519 7.2540 7.8439 7.8898 7.9612 7.9732 8.6700 8.7174 k = 0.4462 0.4473 0.0896 ( 5652 PWs) bands (ev): -7.7845 -7.7828 -7.6249 -7.6241 -7.1123 -7.1114 -7.0744 -7.0730 -2.3209 -2.3044 -2.2649 -2.2143 -0.9688 -0.9065 -0.8542 -0.7426 -0.6206 -0.5778 -0.3188 -0.1917 0.4601 0.4887 1.1113 1.1379 2.1547 2.1899 2.2468 2.2763 2.4596 2.4888 3.2375 3.2599 3.3837 3.4199 3.5790 3.6234 3.7975 3.8676 4.0154 4.0865 4.2328 4.2790 7.2913 7.2940 7.8524 7.9028 7.9882 8.0035 8.7175 8.7674 k = 0.4372 0.4592 0.1046 ( 5642 PWs) bands (ev): -7.7790 -7.7770 -7.6211 -7.6202 -7.1242 -7.1232 -7.0734 -7.0718 -2.3209 -2.3022 -2.2709 -2.2128 -0.9786 -0.9074 -0.8460 -0.7339 -0.6120 -0.5645 -0.3161 -0.1700 0.4591 0.4918 1.0778 1.1062 2.1414 2.1793 2.2564 2.2930 2.4555 2.4887 3.1942 3.2319 3.3520 3.4029 3.5616 3.6123 3.8213 3.8868 3.9996 4.0734 4.2516 4.3069 7.3361 7.3394 7.8640 7.9162 8.0230 8.0404 8.7706 8.8200 k = 0.4282 0.4712 0.1195 ( 5646 PWs) bands (ev): -7.7727 -7.7704 -7.6169 -7.6158 -7.1376 -7.1364 -7.0723 -7.0705 -2.3207 -2.2998 -2.2768 -2.2116 -0.9873 -0.9074 -0.8374 -0.7279 -0.6031 -0.5500 -0.3103 -0.1469 0.4586 0.4950 1.0426 1.0717 2.1266 2.1667 2.2650 2.3096 2.4517 2.4888 3.1468 3.1948 3.3263 3.3935 3.5412 3.5976 3.8376 3.8957 3.9903 4.0660 4.2737 4.3358 7.3856 7.3897 7.8789 7.9312 8.0652 8.0834 8.8272 8.8736 k = 0.4192 0.4831 0.1344 ( 5650 PWs) bands (ev): -7.7658 -7.7631 -7.6122 -7.6111 -7.1523 -7.1510 -7.0709 -7.0689 -2.3202 -2.2975 -2.2826 -2.2107 -0.9948 -0.9065 -0.8287 -0.7237 -0.5947 -0.5355 -0.3006 -0.1229 0.4586 0.4983 1.0064 1.0354 2.1105 2.1524 2.2716 2.3252 2.4480 2.4896 3.0976 3.1504 3.3083 3.3880 3.5179 3.5793 3.8406 3.8890 3.9947 4.0697 4.2980 4.3649 7.4391 7.4440 7.8973 7.9484 8.1141 8.1322 8.8849 8.9267 k = 0.4103 0.4951 0.1494 ( 5654 PWs) bands (ev): -7.7582 -7.7553 -7.6073 -7.6060 -7.1681 -7.1667 -7.0695 -7.0672 -2.3196 -2.2951 -2.2881 -2.2101 -1.0010 -0.9049 -0.8198 -0.7204 -0.5870 -0.5224 -0.2870 -0.0982 0.4592 0.5016 0.9701 0.9979 2.0935 2.1364 2.2756 2.3390 2.4445 2.4911 3.0478 3.1023 3.2964 3.3850 3.4918 3.5576 3.8274 3.8698 4.0128 4.0856 4.3236 4.3935 7.4957 7.5018 7.9192 7.9684 8.1693 8.1865 8.9403 8.9786 k = 0.4013 0.5070 0.1643 ( 5660 PWs) bands (ev): -7.7501 -7.7469 -7.6020 -7.6007 -7.1848 -7.1832 -7.0678 -7.0654 -2.3189 -2.2934 -2.2925 -2.2096 -1.0061 -0.9026 -0.8110 -0.7176 -0.5801 -0.5117 -0.2695 -0.0735 0.4607 0.5048 0.9345 0.9601 2.0757 2.1192 2.2764 2.3499 2.4412 2.4935 2.9986 3.0535 3.2890 3.3839 3.4636 3.5331 3.8023 3.8431 4.0393 4.1104 4.3498 4.4214 7.5548 7.5621 7.9446 7.9914 8.2300 8.2456 8.9894 9.0281 k = 0.3923 0.5190 0.1793 ( 5652 PWs) bands (ev): -7.7415 -7.7381 -7.5967 -7.5952 -7.2020 -7.2003 -7.0660 -7.0634 -2.3181 -2.2978 -2.2902 -2.2092 -1.0099 -0.8997 -0.8025 -0.7148 -0.5739 -0.5039 -0.2487 -0.0493 0.4630 0.5078 0.9005 0.9230 2.0574 2.1007 2.2738 2.3563 2.4386 2.4962 2.9509 3.0062 3.2849 3.3831 3.4351 3.5065 3.7704 3.8119 4.0703 4.1403 4.3759 4.4482 7.6157 7.6244 7.9734 8.0177 8.2954 8.3090 9.0306 9.0730 k = 0.3834 0.5309 0.1942 ( 5650 PWs) bands (ev): -7.7328 -7.7291 -7.5912 -7.5896 -7.2194 -7.2177 -7.0641 -7.0614 -2.3177 -2.3016 -2.2878 -2.2089 -1.0125 -0.8962 -0.7943 -0.7117 -0.5683 -0.4989 -0.2259 -0.0264 0.4661 0.5102 0.8688 0.8880 2.0387 2.0814 2.2680 2.3570 2.4370 2.4987 2.9055 2.9618 3.2834 3.3774 3.4125 3.4786 3.7352 3.7778 4.1033 4.1727 4.4014 4.4738 7.6776 7.6880 8.0055 8.0472 8.3642 8.3761 9.0652 9.1125 k = 0.3744 0.5428 0.2091 ( 5650 PWs) bands (ev): -7.7241 -7.7201 -7.5858 -7.5841 -7.2367 -7.2349 -7.0621 -7.0592 -2.3179 -2.3040 -2.2853 -2.2086 -1.0141 -0.8923 -0.7865 -0.7082 -0.5633 -0.4964 -0.2024 -0.0055 0.4701 0.5115 0.8394 0.8573 2.0199 2.0614 2.2590 2.3515 2.4361 2.5004 2.8629 2.9212 3.2830 3.3578 3.4063 3.4508 3.6984 3.7423 4.1367 4.2061 4.4259 4.4980 7.7399 7.7521 8.0408 8.0799 8.4348 8.4462 9.0953 9.1467 k = 0.3654 0.5548 0.2241 ( 5650 PWs) bands (ev): -7.7158 -7.7116 -7.5805 -7.5785 -7.2535 -7.2516 -7.0600 -7.0569 -2.3192 -2.3047 -2.2828 -2.2084 -1.0145 -0.8880 -0.7794 -0.7040 -0.5589 -0.4960 -0.1794 0.0124 0.4742 0.5114 0.8120 0.8338 2.0011 2.0407 2.2471 2.3405 2.4346 2.5008 2.8239 2.8849 3.2791 3.3364 3.4061 3.4268 3.6616 3.7065 4.1695 4.2392 4.4491 4.5208 7.8021 7.8162 8.0791 8.1158 8.5054 8.5185 9.1221 9.1759 k = 0.3564 0.5667 0.2390 ( 5653 PWs) bands (ev): -7.7083 -7.7038 -7.5751 -7.5730 -7.2691 -7.2673 -7.0577 -7.0545 -2.3212 -2.3041 -2.2802 -2.2081 -1.0140 -0.8834 -0.7729 -0.6991 -0.5551 -0.4973 -0.1583 0.0266 0.4774 0.5092 0.7880 0.8194 1.9824 2.0196 2.2323 2.3248 2.4314 2.4997 2.7886 2.8529 3.2630 3.3286 3.3905 3.4219 3.6267 3.6711 4.2009 4.2710 4.4708 4.5419 7.8634 7.8796 8.1203 8.1546 8.5745 8.5912 9.1467 9.2005 k = 0.3475 0.5787 0.2539 ( 5651 PWs) bands (ev): -7.7023 -7.6976 -7.5697 -7.5673 -7.2832 -7.2814 -7.0554 -7.0520 -2.3234 -2.3026 -2.2776 -2.2078 -1.0124 -0.8786 -0.7671 -0.6934 -0.5519 -0.4999 -0.1400 0.0365 0.4777 0.5055 0.7701 0.8143 1.9638 1.9980 2.2150 2.3055 2.4259 2.4974 2.7571 2.8244 3.2366 3.3341 3.3680 3.4249 3.5965 3.6374 4.2299 4.3006 4.4907 4.5613 7.9233 7.9416 8.1642 8.1963 8.6405 8.6622 9.1700 9.2217 k = 0.3385 0.5906 0.2689 ( 5647 PWs) bands (ev): -7.6984 -7.6936 -7.5638 -7.5611 -7.2952 -7.2935 -7.0529 -7.0495 -2.3254 -2.3006 -2.2747 -2.2075 -1.0100 -0.8737 -0.7619 -0.6871 -0.5494 -0.5036 -0.1252 0.0415 0.4727 0.5006 0.7608 0.8183 1.9453 1.9759 2.1953 2.2833 2.4185 2.4941 2.7287 2.7985 3.2076 3.3391 3.3544 3.4231 3.5756 3.6066 4.2560 4.3270 4.5088 4.5789 7.9811 8.0016 8.2108 8.2408 8.7018 8.7290 9.1928 9.2408 k = 0.3295 0.6026 0.2838 ( 5647 PWs) bands (ev): -7.6976 -7.6928 -7.5571 -7.5540 -7.3046 -7.3032 -7.0504 -7.0469 -2.3271 -2.2985 -2.2717 -2.2071 -1.0066 -0.8687 -0.7573 -0.6802 -0.5477 -0.5081 -0.1144 0.0416 0.4624 0.4939 0.7618 0.8308 1.9270 1.9533 2.1736 2.2592 2.4102 2.4904 2.7027 2.7738 3.1790 3.3240 3.3673 3.4117 3.5667 3.5819 4.2786 4.3494 4.5252 4.5947 8.0363 8.0588 8.2600 8.2879 8.7568 8.7893 9.2154 9.2592 k = 0.3206 0.6145 0.2988 ( 5651 PWs) bands (ev): -7.7004 -7.6958 -7.5490 -7.5455 -7.3113 -7.3100 -7.0479 -7.0442 -2.3283 -2.2961 -2.2685 -2.2067 -1.0024 -0.8638 -0.7530 -0.6730 -0.5472 -0.5128 -0.1078 0.0367 0.4485 0.4842 0.7733 0.8505 1.9086 1.9301 2.1505 2.2340 2.4020 2.4868 2.6779 2.7492 3.1516 3.3073 3.3852 3.3929 3.5539 3.5807 4.2970 4.3669 4.5400 4.6084 8.0881 8.1125 8.3120 8.3377 8.8042 8.8412 9.2376 9.2780 k = 0.3206 0.6145 0.2988 ( 5651 PWs) bands (ev): -7.7004 -7.6958 -7.5490 -7.5455 -7.3113 -7.3100 -7.0479 -7.0442 -2.3283 -2.2961 -2.2685 -2.2067 -1.0024 -0.8638 -0.7530 -0.6730 -0.5472 -0.5128 -0.1078 0.0367 0.4485 0.4842 0.7733 0.8505 1.9086 1.9301 2.1505 2.2340 2.4020 2.4868 2.6779 2.7492 3.1516 3.3073 3.3852 3.3929 3.5539 3.5807 4.2970 4.3669 4.5400 4.6084 8.0881 8.1125 8.3120 8.3377 8.8042 8.8412 9.2376 9.2780 k = 0.3017 0.6090 0.3057 ( 5660 PWs) bands (ev): -7.7048 -7.7004 -7.5435 -7.5399 -7.3125 -7.3113 -7.0468 -7.0432 -2.3286 -2.2951 -2.2667 -2.2065 -1.0001 -0.8616 -0.7513 -0.6694 -0.5475 -0.5150 -0.1069 0.0317 0.4416 0.4779 0.7839 0.8629 1.8975 1.9160 2.1383 2.2200 2.4011 2.4852 2.6699 2.7394 3.1374 3.2938 3.3842 3.3986 3.5504 3.5872 4.3009 4.3684 4.5493 4.6155 8.1104 8.1357 8.3401 8.3650 8.8246 8.8631 9.2423 9.2819 k = 0.2828 0.6034 0.3126 ( 5654 PWs) bands (ev): -7.7125 -7.7084 -7.5366 -7.5330 -7.3110 -7.3099 -7.0462 -7.0425 -2.3286 -2.2943 -2.2645 -2.2062 -0.9972 -0.8594 -0.7498 -0.6652 -0.5481 -0.5171 -0.1085 0.0230 0.4363 0.4712 0.7992 0.8783 1.8812 1.8963 2.1234 2.2016 2.4055 2.4834 2.6680 2.7326 3.1214 3.2733 3.3859 3.4096 3.5544 3.5946 4.2983 4.3606 4.5626 4.6238 8.1316 8.1576 8.3751 8.3994 8.8458 8.8851 9.2386 9.2781 k = 0.2640 0.5979 0.3195 ( 5657 PWs) bands (ev): -7.7220 -7.7183 -7.5299 -7.5263 -7.3066 -7.3056 -7.0459 -7.0422 -2.3283 -2.2938 -2.2618 -2.2058 -0.9939 -0.8573 -0.7487 -0.6608 -0.5490 -0.5190 -0.1129 0.0106 0.4337 0.4658 0.8172 0.8954 1.8602 1.8726 2.1053 2.1790 2.4139 2.4821 2.6708 2.7288 3.1061 3.2523 3.3890 3.4218 3.5643 3.6021 4.2901 4.3465 4.5767 4.6321 8.1519 8.1783 8.4167 8.4407 8.8679 8.9075 9.2300 9.2702 k = 0.2451 0.5924 0.3264 ( 5652 PWs) bands (ev): -7.7325 -7.7290 -7.5245 -7.5210 -7.2994 -7.2984 -7.0462 -7.0424 -2.3277 -2.2936 -2.2586 -2.2053 -0.9900 -0.8555 -0.7476 -0.6564 -0.5504 -0.5208 -0.1199 -0.0052 0.4345 0.4632 0.8366 0.9133 1.8349 1.8469 2.0834 2.1525 2.4250 2.4825 2.6762 2.7286 3.0937 3.2338 3.3908 3.4347 3.5786 3.6103 4.2776 4.3281 4.5891 4.6388 8.1717 8.1981 8.4647 8.4885 8.8909 8.9304 9.2194 9.2610 k = 0.2263 0.5869 0.3333 ( 5652 PWs) bands (ev): -7.7431 -7.7400 -7.5207 -7.5174 -7.2896 -7.2885 -7.0469 -7.0432 -2.3268 -2.2936 -2.2551 -2.2048 -0.9856 -0.8539 -0.7466 -0.6522 -0.5521 -0.5223 -0.1291 -0.0238 0.4389 0.4638 0.8565 0.9314 1.8064 1.8207 2.0576 2.1227 2.4373 2.4852 2.6821 2.7324 3.0855 3.2189 3.3909 3.4473 3.5961 3.6201 4.2616 4.3067 4.5985 4.6429 8.1911 8.2171 8.5187 8.5422 8.9149 8.9538 9.2092 9.2528 k = 0.2074 0.5814 0.3402 ( 5654 PWs) bands (ev): -7.7536 -7.7507 -7.5187 -7.5155 -7.2775 -7.2764 -7.0482 -7.0445 -2.3258 -2.2939 -2.2513 -2.2044 -0.9807 -0.8527 -0.7454 -0.6485 -0.5540 -0.5237 -0.1402 -0.0444 0.4465 0.4677 0.8762 0.9490 1.7763 1.7947 2.0280 2.0905 2.4492 2.4905 2.6876 2.7402 3.0820 3.2075 3.3897 3.4583 3.6156 3.6328 4.2429 4.2832 4.6040 4.6438 8.2103 8.2353 8.5781 8.6012 8.9395 8.9775 9.2009 9.2470 k = 0.1886 0.5758 0.3471 ( 5656 PWs) bands (ev): -7.7636 -7.7610 -7.5180 -7.5151 -7.2638 -7.2626 -7.0502 -7.0465 -2.3245 -2.2944 -2.2473 -2.2040 -0.9751 -0.8521 -0.7439 -0.6456 -0.5558 -0.5249 -0.1526 -0.0662 0.4566 0.4747 0.8954 0.9657 1.7461 1.7693 1.9953 2.0567 2.4599 2.4980 2.6932 2.7510 3.0828 3.1989 3.3884 3.4669 3.6356 3.6498 4.2221 4.2582 4.6055 4.6411 8.2292 8.2528 8.6422 8.6649 8.9642 9.0009 9.1957 9.2449 k = 0.1697 0.5703 0.3540 ( 5655 PWs) bands (ev): -7.7729 -7.7706 -7.5185 -7.5158 -7.2490 -7.2477 -7.0528 -7.0492 -2.3230 -2.2951 -2.2431 -2.2037 -0.9690 -0.8522 -0.7419 -0.6439 -0.5574 -0.5261 -0.1654 -0.0882 0.4686 0.4842 0.9136 0.9811 1.7169 1.7449 1.9606 2.0220 2.4690 2.5062 2.7001 2.7639 3.0870 3.1918 3.3880 3.4731 3.6561 3.6710 4.1999 4.2322 4.6030 4.6349 8.2478 8.2696 8.7100 8.7322 8.9883 9.0232 9.1949 9.2475 k = 0.1508 0.5648 0.3609 ( 5657 PWs) bands (ev): -7.7815 -7.7795 -7.5196 -7.5172 -7.2336 -7.2321 -7.0561 -7.0526 -2.3214 -2.2960 -2.2389 -2.2035 -0.9624 -0.8532 -0.7394 -0.6437 -0.5584 -0.5273 -0.1782 -0.1099 0.4818 0.4956 0.9309 0.9950 1.6895 1.7221 1.9255 1.9874 2.4767 2.5135 2.7095 2.7780 3.0930 3.1850 3.3900 3.4774 3.6777 3.6945 4.1767 4.2056 4.5970 4.6255 8.2659 8.2856 8.7803 8.8020 9.0111 9.0431 9.1996 9.2556 k = 0.1320 0.5593 0.3679 ( 5656 PWs) bands (ev): -7.7892 -7.7875 -7.5212 -7.5191 -7.2180 -7.2163 -7.0601 -7.0567 -2.3198 -2.2969 -2.2348 -2.2035 -0.9553 -0.8552 -0.7361 -0.6451 -0.5586 -0.5286 -0.1902 -0.1306 0.4956 0.5081 0.9470 1.0070 1.6645 1.7009 1.8915 1.9535 2.4832 2.5186 2.7222 2.7926 3.0992 3.1772 3.3954 3.4808 3.7006 3.7185 4.1532 4.1789 4.5880 4.6133 8.2831 8.3004 8.8511 8.8723 9.0323 9.0597 9.2109 9.2700 k = 0.1131 0.5537 0.3748 ( 5660 PWs) bands (ev): -7.7960 -7.7945 -7.5229 -7.5211 -7.2025 -7.2007 -7.0649 -7.0616 -2.3180 -2.2981 -2.2308 -2.2037 -0.9476 -0.8583 -0.7319 -0.6484 -0.5579 -0.5300 -0.2010 -0.1500 0.5094 0.5209 0.9620 1.0169 1.6424 1.6812 1.8602 1.9212 2.4886 2.5212 2.7381 2.8072 3.1041 3.1677 3.4046 3.4841 3.7240 3.7420 4.1301 4.1527 4.5770 4.5992 8.2991 8.3139 8.9189 8.9404 9.0527 9.0733 9.2291 9.2908 k = 0.0943 0.5482 0.3817 ( 5674 PWs) bands (ev): -7.8018 -7.8006 -7.5246 -7.5231 -7.1875 -7.1855 -7.0705 -7.0672 -2.3161 -2.2993 -2.2269 -2.2042 -0.9396 -0.8624 -0.7269 -0.6532 -0.5564 -0.5316 -0.2100 -0.1675 0.5226 0.5331 0.9758 1.0245 1.6239 1.6629 1.8333 1.8910 2.4930 2.5216 2.7565 2.8211 3.1068 3.1567 3.4173 3.4878 3.7469 3.7640 4.1082 4.1278 4.5649 4.5841 8.3135 8.3259 8.9775 9.0004 9.0754 9.0878 9.2542 9.3176 k = 0.0754 0.5427 0.3886 ( 5670 PWs) bands (ev): -7.8066 -7.8056 -7.5262 -7.5250 -7.1732 -7.1711 -7.0767 -7.0736 -2.3143 -2.3007 -2.2232 -2.2049 -0.9312 -0.8676 -0.7211 -0.6593 -0.5543 -0.5335 -0.2171 -0.1830 0.5347 0.5439 0.9884 1.0297 1.6093 1.6459 1.8121 1.8636 2.4968 2.5203 2.7762 2.8334 3.1071 3.1447 3.4325 3.4915 3.7682 3.7835 4.0883 4.1049 4.5530 4.5690 8.3261 8.3359 9.0180 9.0410 9.1029 9.1144 9.2860 9.3491 k = 0.0566 0.5372 0.3955 ( 5668 PWs) bands (ev): -7.8103 -7.8095 -7.5275 -7.5266 -7.1599 -7.1578 -7.0835 -7.0806 -2.3124 -2.3021 -2.2197 -2.2060 -0.9226 -0.8738 -0.7145 -0.6665 -0.5517 -0.5356 -0.2218 -0.1962 0.5452 0.5527 0.9999 1.0323 1.5990 1.6301 1.7974 1.8396 2.5001 2.5180 2.7961 2.8429 3.1057 3.1328 3.4486 3.4945 3.7868 3.7996 4.0717 4.0849 4.5426 4.5550 8.3365 8.3438 9.0397 9.0579 9.1361 9.1502 9.3246 9.3825 k = 0.0377 0.5316 0.4024 ( 5668 PWs) bands (ev): -7.8129 -7.8124 -7.5284 -7.5278 -7.1481 -7.1462 -7.0903 -7.0878 -2.3106 -2.3037 -2.2166 -2.2074 -0.9139 -0.8808 -0.7071 -0.6744 -0.5489 -0.5379 -0.2241 -0.2070 0.5536 0.5589 1.0099 1.0324 1.5935 1.6160 1.7896 1.8196 2.5030 2.5150 2.8148 2.8482 3.1040 3.1220 3.4641 3.4955 3.8018 3.8111 4.0596 4.0690 4.5348 4.5433 8.3444 8.3493 9.0513 9.0631 9.1667 9.1785 9.3668 9.4122 k = 0.0189 0.5261 0.4093 ( 5672 PWs) bands (ev): -7.8144 -7.8142 -7.5289 -7.5286 -7.1389 -7.1375 -7.0960 -7.0944 -2.3088 -2.3053 -2.2138 -2.2092 -0.9052 -0.8884 -0.6993 -0.6827 -0.5460 -0.5405 -0.2237 -0.2152 0.5594 0.5622 1.0185 1.0300 1.5927 1.6046 1.7885 1.8041 2.5059 2.5120 2.8306 2.8481 3.1040 3.1131 3.4774 3.4934 3.8123 3.8173 4.0529 4.0578 4.5305 4.5349 8.3497 8.3521 9.0581 9.0639 9.1876 9.1941 9.4046 9.4298 k = 0.0000 0.5206 0.4162 ( 5674 PWs) bands (ev): -7.8149 -7.8149 -7.5290 -7.5290 -7.1345 -7.1345 -7.0979 -7.0979 -2.3070 -2.3070 -2.2113 -2.2113 -0.8966 -0.8966 -0.6910 -0.6910 -0.5432 -0.5432 -0.2208 -0.2208 0.5624 0.5624 1.0253 1.0253 1.5965 1.5965 1.7935 1.7935 2.5089 2.5089 2.8421 2.8421 3.1069 3.1069 3.4874 3.4874 3.8176 3.8176 4.0523 4.0523 4.5305 4.5305 8.3523 8.3523 9.0621 9.0621 9.1969 9.1969 9.4277 9.4277 k = 0.0000 0.5206 0.4162 ( 5674 PWs) bands (ev): -7.8149 -7.8149 -7.5290 -7.5290 -7.1345 -7.1345 -7.0979 -7.0979 -2.3070 -2.3070 -2.2113 -2.2113 -0.8966 -0.8966 -0.6910 -0.6910 -0.5432 -0.5432 -0.2208 -0.2208 0.5624 0.5624 1.0253 1.0253 1.5965 1.5965 1.7935 1.7935 2.5089 2.5089 2.8421 2.8421 3.1069 3.1069 3.4874 3.4874 3.8176 3.8176 4.0523 4.0523 4.5305 4.5305 8.3523 8.3523 9.0621 9.0621 9.1969 9.1969 9.4277 9.4277 k = 0.0089 0.5087 0.4311 ( 5670 PWs) bands (ev): -7.8145 -7.8143 -7.5288 -7.5287 -7.1352 -7.1349 -7.0982 -7.0980 -2.3081 -2.3057 -2.2128 -2.2097 -0.9009 -0.8917 -0.6957 -0.6858 -0.5471 -0.5394 -0.2267 -0.2177 0.5562 0.5607 1.0154 1.0282 1.5921 1.6065 1.7917 1.8009 2.5044 2.5116 2.8383 2.8474 3.1025 3.1171 3.4851 3.4942 3.8145 3.8232 4.0514 4.0554 4.5285 4.5318 8.3472 8.3495 9.0568 9.0602 9.1852 9.1977 9.4254 9.4388 k = 0.0179 0.4968 0.4459 ( 5662 PWs) bands (ev): -7.8133 -7.8128 -7.5281 -7.5278 -7.1368 -7.1364 -7.0989 -7.0984 -2.3088 -2.3040 -2.2141 -2.2080 -0.9044 -0.8860 -0.6999 -0.6801 -0.5511 -0.5358 -0.2351 -0.2174 0.5424 0.5514 0.9994 1.0238 1.5934 1.6211 1.7957 1.8138 2.4982 2.5125 2.8372 2.8540 3.1044 3.1318 3.4872 3.5053 3.8138 3.8312 4.0527 4.0608 4.5257 4.5323 8.3343 8.3387 9.0446 9.0515 9.1654 9.1861 9.4333 9.4561 k = 0.0268 0.4849 0.4608 ( 5662 PWs) bands (ev): -7.8112 -7.8104 -7.5268 -7.5264 -7.1394 -7.1388 -7.1000 -7.0992 -2.3092 -2.3021 -2.2153 -2.2063 -0.9071 -0.8797 -0.7035 -0.6740 -0.5552 -0.5322 -0.2460 -0.2199 0.5216 0.5349 0.9780 1.0117 1.5997 1.6391 1.8055 1.8318 2.4904 2.5120 2.8397 2.8622 3.1126 3.1502 3.4934 3.5202 3.8153 3.8416 4.0563 4.0685 4.5221 4.5321 8.3137 8.3203 9.0261 9.0373 9.1402 9.1644 9.4503 9.4778 k = 0.0357 0.4730 0.4757 ( 5662 PWs) bands (ev): -7.8081 -7.8072 -7.5251 -7.5245 -7.1430 -7.1422 -7.1014 -7.1005 -2.3092 -2.3000 -2.2163 -2.2045 -0.9090 -0.8728 -0.7065 -0.6674 -0.5594 -0.5288 -0.2589 -0.2251 0.4947 0.5120 0.9519 0.9924 1.6099 1.6591 1.8210 1.8543 2.4817 2.5106 2.8468 2.8728 3.1263 3.1711 3.5030 3.5382 3.8190 3.8540 4.0624 4.0788 4.5177 4.5312 8.2857 8.2945 9.0019 9.0187 9.1121 9.1369 9.4735 9.5025 k = 0.0446 0.4612 0.4905 ( 5662 PWs) bands (ev): -7.8042 -7.8030 -7.5228 -7.5221 -7.1475 -7.1466 -7.1032 -7.1021 -2.3089 -2.2976 -2.2172 -2.2026 -0.9102 -0.8653 -0.7089 -0.6604 -0.5638 -0.5256 -0.2734 -0.2326 0.4626 0.4839 0.9215 0.9664 1.6220 1.6793 1.8420 1.8809 2.4730 2.5092 2.8591 2.8868 3.1443 3.1938 3.5152 3.5588 3.8247 3.8680 4.0712 4.0919 4.5124 4.5295 8.2510 8.2619 8.9726 8.9959 9.0834 9.1085 9.5004 9.5293 k = 0.0536 0.4493 0.5054 ( 5666 PWs) bands (ev): -7.7994 -7.7980 -7.5201 -7.5193 -7.1530 -7.1518 -7.1055 -7.1041 -2.3082 -2.2951 -2.2179 -2.2008 -0.9105 -0.8574 -0.7106 -0.6530 -0.5683 -0.5225 -0.2891 -0.2423 0.4265 0.4514 0.8873 0.9346 1.6342 1.6981 1.8681 1.9109 2.4657 2.5089 2.8766 2.9051 3.1652 3.2179 3.5293 3.5811 3.8320 3.8833 4.0829 4.1079 4.5063 4.5270 8.2100 8.2231 8.9390 8.9683 9.0568 9.0821 9.5290 9.5573 k = 0.0625 0.4374 0.5203 ( 5666 PWs) bands (ev): -7.7937 -7.7921 -7.5169 -7.5160 -7.1593 -7.1580 -7.1081 -7.1065 -2.3072 -2.2924 -2.2184 -2.1991 -0.9100 -0.8491 -0.7116 -0.6455 -0.5727 -0.5196 -0.3055 -0.2538 0.3873 0.4157 0.8497 0.8977 1.6446 1.7138 1.8989 1.9440 2.4612 2.5110 2.8993 2.9281 3.1880 3.2429 3.5446 3.6046 3.8410 3.8993 4.0975 4.1268 4.4992 4.5238 8.1636 8.1788 8.9026 8.9363 9.0338 9.0590 9.5581 9.5857 k = 0.0714 0.4255 0.5351 ( 5668 PWs) bands (ev): -7.7872 -7.7854 -7.5133 -7.5122 -7.1664 -7.1650 -7.1112 -7.1094 -2.3059 -2.2895 -2.2187 -2.1974 -0.9087 -0.8405 -0.7118 -0.6379 -0.5769 -0.5170 -0.3220 -0.2667 0.3459 0.3775 0.8091 0.8566 1.6515 1.7247 1.9339 1.9799 2.4609 2.5164 2.9268 2.9558 3.2114 3.2682 3.5606 3.6286 3.8514 3.9156 4.1151 4.1485 4.4913 4.5197 8.1125 8.1298 8.8652 8.9014 9.0143 9.0387 9.5871 9.6140 k = 0.0804 0.4136 0.5500 ( 5666 PWs) bands (ev): -7.7799 -7.7779 -7.5093 -7.5082 -7.1743 -7.1727 -7.1146 -7.1126 -2.3041 -2.2865 -2.2189 -2.1959 -0.9066 -0.8318 -0.7110 -0.6309 -0.5805 -0.5146 -0.3382 -0.2807 0.3031 0.3379 0.7659 0.8119 1.6540 1.7294 1.9729 2.0185 2.4658 2.5258 2.9587 2.9882 3.2346 3.2935 3.5770 3.6525 3.8632 3.9320 4.1354 4.1728 4.4826 4.5149 8.0576 8.0769 8.8282 8.8658 8.9974 9.0204 9.6155 9.6421 k = 0.0893 0.4017 0.5649 ( 5660 PWs) bands (ev): -7.7718 -7.7696 -7.5049 -7.5037 -7.1829 -7.1812 -7.1184 -7.1162 -2.3021 -2.2835 -2.2189 -2.1945 -0.9037 -0.8232 -0.7092 -0.6255 -0.5823 -0.5126 -0.3535 -0.2953 0.2597 0.2974 0.7205 0.7645 1.6515 1.7273 2.0153 2.0597 2.4764 2.5396 2.9945 3.0248 3.2570 3.3182 3.5937 3.6760 3.8764 3.9485 4.1578 4.1992 4.4732 4.5093 7.9996 8.0209 8.7927 8.8310 8.9819 9.0033 9.6433 9.6698 k = 0.0982 0.3899 0.5797 ( 5660 PWs) bands (ev): -7.7630 -7.7605 -7.5003 -7.4991 -7.1922 -7.1904 -7.1225 -7.1201 -2.2997 -2.2804 -2.2188 -2.1933 -0.9000 -0.8149 -0.7063 -0.6231 -0.5809 -0.5110 -0.3675 -0.3103 0.2162 0.2566 0.6734 0.7148 1.6440 1.7185 2.0606 2.1032 2.4924 2.5575 3.0333 3.0651 3.2784 3.3420 3.6104 3.6988 3.8909 3.9651 4.1815 4.2269 4.4632 4.5029 7.9395 7.9625 8.7598 8.7982 8.9670 8.9868 9.6703 9.6975 k = 0.1071 0.3780 0.5946 ( 5662 PWs) bands (ev): -7.7534 -7.7508 -7.4955 -7.4942 -7.2020 -7.2001 -7.1270 -7.1244 -2.2970 -2.2772 -2.2186 -2.1924 -0.8957 -0.8072 -0.7022 -0.6245 -0.5756 -0.5099 -0.3797 -0.3252 0.1731 0.2161 0.6248 0.6634 1.6320 1.7038 2.1081 2.1485 2.5133 2.5792 3.0737 3.1082 3.2989 3.3646 3.6273 3.7209 3.9066 3.9822 4.2057 4.2553 4.4530 4.4959 7.8779 7.9024 8.7299 8.7679 8.9523 8.9705 9.6966 9.7255 k = 0.1161 0.3661 0.6095 ( 5656 PWs) bands (ev): -7.7431 -7.7404 -7.4905 -7.4891 -7.2123 -7.2103 -7.1319 -7.1290 -2.2940 -2.2739 -2.2183 -2.1917 -0.8908 -0.8001 -0.6968 -0.6285 -0.5673 -0.5093 -0.3899 -0.3395 0.1310 0.1763 0.5753 0.6108 1.6163 1.6843 2.1572 2.1950 2.5383 2.6043 3.1142 3.1530 3.3190 3.3864 3.6442 3.7420 3.9234 3.9999 4.2289 4.2834 4.4432 4.4885 7.8156 7.8413 8.7033 8.7405 8.9374 8.9541 9.7218 9.7541 k = 0.1250 0.3542 0.6243 ( 5652 PWs) bands (ev): -7.7323 -7.7293 -7.4855 -7.4841 -7.2230 -7.2210 -7.1369 -7.1339 -2.2908 -2.2707 -2.2180 -2.1913 -0.8855 -0.7939 -0.6904 -0.6338 -0.5574 -0.5093 -0.3979 -0.3525 0.0902 0.1375 0.5250 0.5575 1.5977 1.6613 2.2069 2.2420 2.5667 2.6324 3.1524 3.1973 3.3402 3.4079 3.6612 3.7625 3.9410 4.0184 4.2500 4.3101 4.4347 4.4809 7.7533 7.7799 8.6801 8.7160 8.9218 8.9380 9.7437 9.7834 k = 0.1339 0.3423 0.6392 ( 5658 PWs) bands (ev): -7.7208 -7.7177 -7.4805 -7.4791 -7.2340 -7.2319 -7.1423 -7.1390 -2.2873 -2.2674 -2.2176 -2.1911 -0.8799 -0.7885 -0.6834 -0.6391 -0.5469 -0.5097 -0.4038 -0.3636 0.0511 0.1000 0.4744 0.5039 1.5772 1.6360 2.2566 2.2888 2.5979 2.6631 3.1858 3.2381 3.3648 3.4303 3.6787 3.7825 3.9592 4.0378 4.2671 4.3340 4.4288 4.4737 7.6915 7.7188 8.6601 8.6944 8.9055 8.9223 9.7565 9.8126 k = 0.1429 0.3304 0.6541 ( 5662 PWs) bands (ev): -7.7088 -7.7056 -7.4757 -7.4743 -7.2451 -7.2430 -7.1478 -7.1443 -2.2837 -2.2642 -2.2172 -2.1913 -0.8742 -0.7837 -0.6768 -0.6431 -0.5370 -0.5103 -0.4076 -0.3718 0.0140 0.0641 0.4238 0.4502 1.5556 1.6095 2.3052 2.3345 2.6315 2.6965 3.2126 3.2711 3.3951 3.4540 3.6974 3.8025 3.9777 4.0581 4.2787 4.3534 4.4270 4.4678 7.6311 7.6585 8.6430 8.6755 8.8884 8.9074 9.7549 9.8219 k = 0.1518 0.3185 0.6689 ( 5658 PWs) bands (ev): -7.6963 -7.6930 -7.4714 -7.4698 -7.2561 -7.2541 -7.1535 -7.1497 -2.2799 -2.2609 -2.2169 -2.1919 -0.8689 -0.7792 -0.6725 -0.6438 -0.5294 -0.5103 -0.4093 -0.3759 -0.0207 0.0301 0.3732 0.3971 1.5337 1.5825 2.3520 2.3785 2.6671 2.7323 3.2317 3.2943 3.4313 3.4786 3.7183 3.8231 3.9961 4.0790 4.2837 4.3665 4.4304 4.4641 7.5726 7.5999 8.6285 8.6590 8.8709 8.8933 9.7450 9.8083 k = 0.1607 0.3067 0.6838 ( 5660 PWs) bands (ev): -7.6834 -7.6800 -7.4676 -7.4659 -7.2669 -7.2649 -7.1592 -7.1553 -2.2760 -2.2576 -2.2166 -2.1928 -0.8641 -0.7747 -0.6720 -0.6400 -0.5267 -0.5085 -0.4079 -0.3754 -0.0529 -0.0019 0.3229 0.3447 1.5120 1.5559 2.3960 2.4200 2.7047 2.7704 3.2439 3.3087 3.4696 3.5021 3.7433 3.8453 4.0142 4.1003 4.2827 4.3725 4.4377 4.4637 7.5167 7.5434 8.6159 8.6446 8.8535 8.8799 9.7337 9.7919 k = 0.1696 0.2948 0.6986 ( 5652 PWs) bands (ev): -7.6702 -7.6668 -7.4646 -7.4627 -7.2772 -7.2754 -7.1649 -7.1608 -2.2721 -2.2543 -2.2164 -2.1940 -0.8604 -0.7696 -0.6739 -0.6333 -0.5287 -0.5061 -0.4022 -0.3705 -0.0823 -0.0318 0.2730 0.2936 1.4911 1.5303 2.4365 2.4586 2.7438 2.8107 3.2505 3.3166 3.5047 3.5221 3.7737 3.8703 4.0318 4.1216 4.2772 4.3726 4.4456 4.4665 7.4639 7.4897 8.6050 8.6321 8.8369 8.8673 9.7242 9.7768 k = 0.1786 0.2829 0.7135 ( 5646 PWs) bands (ev): -7.6569 -7.6535 -7.4626 -7.4604 -7.2867 -7.2851 -7.1706 -7.1662 -2.2683 -2.2510 -2.2163 -2.1955 -0.8578 -0.7635 -0.6764 -0.6262 -0.5336 -0.5047 -0.3914 -0.3617 -0.1086 -0.0592 0.2238 0.2441 1.4715 1.5062 2.4730 2.4938 2.7842 2.8526 3.2531 3.3201 3.5288 3.5399 3.8101 3.8989 4.0486 4.1427 4.2692 4.3688 4.4519 4.4706 7.4150 7.4394 8.5953 8.6210 8.8215 8.8554 9.7178 9.7643 k = 0.1875 0.2710 0.7284 ( 5646 PWs) bands (ev): -7.6434 -7.6401 -7.4619 -7.4594 -7.2952 -7.2938 -7.1761 -7.1715 -2.2645 -2.2477 -2.2164 -2.1973 -0.8565 -0.7561 -0.6786 -0.6200 -0.5404 -0.5045 -0.3760 -0.3494 -0.1317 -0.0842 0.1753 0.1966 1.4536 1.4839 2.5053 2.5253 2.8251 2.8954 3.2529 3.3206 3.5368 3.5577 3.8518 3.9316 4.0644 4.1634 4.2600 4.3630 4.4557 4.4736 7.3704 7.3932 8.5867 8.6111 8.8080 8.8440 9.7147 9.7550 k = 0.1964 0.2591 0.7432 ( 5640 PWs) bands (ev): -7.6302 -7.6269 -7.4627 -7.4597 -7.3025 -7.3014 -7.1812 -7.1765 -2.2610 -2.2443 -2.2165 -2.1994 -0.8564 -0.7476 -0.6803 -0.6155 -0.5481 -0.5047 -0.3570 -0.3339 -0.1514 -0.1064 0.1279 0.1514 1.4377 1.4638 2.5332 2.5528 2.8655 2.9380 3.2513 3.3191 3.5366 3.5680 3.8966 3.9674 4.0792 4.1833 4.2504 4.3567 4.4566 4.4738 7.3308 7.3516 8.5791 8.6021 8.7966 8.8332 9.7149 9.7488 k = 0.2054 0.2472 0.7581 ( 5638 PWs) bands (ev): -7.6172 -7.6141 -7.4649 -7.4614 -7.3084 -7.3075 -7.1860 -7.1810 -2.2578 -2.2408 -2.2168 -2.2018 -0.8570 -0.7380 -0.6816 -0.6136 -0.5557 -0.5050 -0.3356 -0.3159 -0.1675 -0.1259 0.0822 0.1091 1.4240 1.4461 2.5567 2.5763 2.9044 2.9791 3.2494 3.3161 3.5310 3.5702 3.9423 4.0041 4.0927 4.2017 4.2413 4.3511 4.4543 4.4703 7.2967 7.3151 8.5727 8.5938 8.7878 8.8229 9.7178 9.7453 k = 0.2143 0.2354 0.7730 ( 5630 PWs) bands (ev): -7.6050 -7.6022 -7.4685 -7.4644 -7.3129 -7.3122 -7.1901 -7.1850 -2.2551 -2.2374 -2.2172 -2.2043 -0.8580 -0.7277 -0.6823 -0.6149 -0.5617 -0.5053 -0.3127 -0.2960 -0.1801 -0.1424 0.0388 0.0701 1.4128 1.4312 2.5759 2.5956 2.9403 3.0168 3.2484 3.3118 3.5221 3.5662 3.9861 4.0392 4.1053 4.2145 4.2364 4.3471 4.4492 4.4633 7.2683 7.2843 8.5678 8.5861 8.7816 8.8132 9.7225 9.7440 k = 0.2232 0.2235 0.7878 ( 5630 PWs) bands (ev): -7.5940 -7.5915 -7.4728 -7.4682 -7.3160 -7.3155 -7.1936 -7.1883 -2.2528 -2.2339 -2.2178 -2.2067 -0.8592 -0.7175 -0.6827 -0.6194 -0.5657 -0.5055 -0.2903 -0.2749 -0.1890 -0.1559 -0.0013 0.0356 1.4041 1.4192 2.5909 2.6108 2.9715 3.0489 3.2497 3.3061 3.5120 3.5586 4.0249 4.0706 4.1171 4.2105 4.2459 4.3454 4.4418 4.4534 7.2462 7.2596 8.5644 8.5791 8.7780 8.8043 9.7281 9.7439 k = 0.2321 0.2116 0.8027 ( 5628 PWs) bands (ev): -7.5848 -7.5830 -7.4771 -7.4722 -7.3180 -7.3177 -7.1962 -7.1908 -2.2512 -2.2306 -2.2186 -2.2090 -0.8602 -0.7082 -0.6825 -0.6258 -0.5678 -0.5056 -0.2711 -0.2537 -0.1941 -0.1660 -0.0362 0.0073 1.3981 1.4103 2.6016 2.6216 2.9961 3.0730 3.2547 3.2984 3.5028 3.5500 4.0547 4.0978 4.1279 4.1981 4.2602 4.3461 4.4339 4.4421 7.2304 7.2415 8.5627 8.5730 8.7768 8.7966 9.7336 9.7442 k = 0.2411 0.1997 0.8176 ( 5630 PWs) bands (ev): -7.5784 -7.5774 -7.4804 -7.4752 -7.3191 -7.3189 -7.1978 -7.1923 -2.2502 -2.2279 -2.2196 -2.2106 -0.8609 -0.7015 -0.6818 -0.6317 -0.5686 -0.5057 -0.2584 -0.2358 -0.1962 -0.1723 -0.0619 -0.0120 1.3947 1.4047 2.6080 2.6282 3.0121 3.0875 3.2637 3.2885 3.4964 3.5433 4.0720 4.1215 4.1358 4.1835 4.2714 4.3480 4.4278 4.4322 7.2210 7.2303 8.5628 8.5681 8.7774 8.7905 9.7380 9.7441 k = 0.2500 0.1878 0.8324 ( 5628 PWs) bands (ev): -7.5759 -7.5757 -7.4817 -7.4764 -7.3194 -7.3193 -7.1983 -7.1929 -2.2498 -2.2267 -2.2202 -2.2112 -0.8612 -0.6991 -0.6814 -0.6342 -0.5688 -0.5057 -0.2541 -0.2280 -0.1968 -0.1743 -0.0720 -0.0189 1.3935 1.4028 2.6102 2.6304 3.0177 3.0922 3.2727 3.2794 3.4941 3.5408 4.0773 4.1350 4.1377 4.1744 4.2758 4.3491 4.4262 4.4274 7.2179 7.2266 8.5642 8.5650 8.7783 8.7878 9.7400 9.7436 k = 0.2500 0.1878 0.8324 ( 5628 PWs) bands (ev): -7.5759 -7.5757 -7.4817 -7.4764 -7.3194 -7.3193 -7.1983 -7.1929 -2.2498 -2.2267 -2.2202 -2.2112 -0.8612 -0.6991 -0.6814 -0.6342 -0.5688 -0.5057 -0.2541 -0.2280 -0.1968 -0.1743 -0.0720 -0.0189 1.3935 1.4028 2.6102 2.6304 3.0177 3.0922 3.2727 3.2794 3.4941 3.5408 4.0773 4.1350 4.1377 4.1744 4.2758 4.3491 4.4262 4.4274 7.2179 7.2266 8.5642 8.5650 8.7783 8.7878 9.7400 9.7436 k = 0.2632 0.1977 0.8201 ( 5622 PWs) bands (ev): -7.5768 -7.5762 -7.4813 -7.4761 -7.3193 -7.3192 -7.1981 -7.1927 -2.2499 -2.2271 -2.2199 -2.2110 -0.8608 -0.7011 -0.6807 -0.6334 -0.5689 -0.5058 -0.2780 -0.2219 -0.2021 -0.1528 -0.0685 -0.0171 1.3958 1.4053 2.6051 2.6249 3.0112 3.0859 3.2712 3.2850 3.4988 3.5439 4.0764 4.1284 4.1390 4.1781 4.2762 4.3498 4.4273 4.4302 7.2164 7.2252 8.5615 8.5646 8.7801 8.7907 9.7392 9.7436 k = 0.2763 0.2076 0.8077 ( 5626 PWs) bands (ev): -7.5788 -7.5777 -7.4803 -7.4753 -7.3190 -7.3188 -7.1976 -7.1923 -2.2501 -2.2284 -2.2195 -2.2104 -0.8597 -0.7060 -0.6801 -0.6304 -0.5688 -0.5061 -0.3123 -0.2487 -0.1729 -0.1234 -0.0590 -0.0124 1.4024 1.4125 2.5902 2.6091 2.9941 3.0689 3.2709 3.2913 3.5127 3.5536 4.0746 4.1159 4.1393 4.1856 4.2778 4.3529 4.4312 4.4368 7.2119 7.2210 8.5558 8.5613 8.7862 8.7990 9.7380 9.7437 k = 0.2895 0.2175 0.7953 ( 5629 PWs) bands (ev): -7.5813 -7.5799 -7.4792 -7.4744 -7.3184 -7.3181 -7.1969 -7.1917 -2.2505 -2.2301 -2.2192 -2.2095 -0.8581 -0.7130 -0.6812 -0.6253 -0.5683 -0.5066 -0.3459 -0.2744 -0.1453 -0.0953 -0.0436 -0.0041 1.4133 1.4242 2.5667 2.5845 2.9696 3.0436 3.2714 3.2947 3.5332 3.5689 4.0727 4.1019 4.1376 4.1932 4.2813 4.3590 4.4377 4.4459 7.2042 7.2136 8.5482 8.5551 8.7972 8.8121 9.7373 9.7441 k = 0.3026 0.2274 0.7830 ( 5628 PWs) bands (ev): -7.5840 -7.5823 -7.4782 -7.4736 -7.3176 -7.3173 -7.1961 -7.1911 -2.2510 -2.2320 -2.2192 -2.2082 -0.8561 -0.7218 -0.6839 -0.6189 -0.5671 -0.5076 -0.3762 -0.2966 -0.1233 -0.0704 -0.0233 0.0103 1.4283 1.4400 2.5358 2.5530 2.9394 3.0114 3.2730 3.2960 3.5556 3.5867 4.0709 4.0881 4.1343 4.1994 4.2871 4.3677 4.4469 4.4572 7.1938 7.2031 8.5393 8.5467 8.8133 8.8296 9.7378 9.7454 k = 0.3158 0.2372 0.7706 ( 5638 PWs) bands (ev): -7.5867 -7.5848 -7.4773 -7.4732 -7.3166 -7.3164 -7.1953 -7.1905 -2.2518 -2.2342 -2.2196 -2.2069 -0.8541 -0.7321 -0.6875 -0.6130 -0.5648 -0.5092 -0.4014 -0.3146 -0.1080 -0.0503 -0.0004 0.0342 1.4470 1.4595 2.4993 2.5166 2.9047 2.9734 3.2765 3.2968 3.5758 3.6037 4.0680 4.0764 4.1300 4.2039 4.2946 4.3775 4.4591 4.4708 7.1811 7.1901 8.5300 8.5370 8.8339 8.8512 9.7397 9.7479 k = 0.3289 0.2471 0.7582 ( 5642 PWs) bands (ev): -7.5892 -7.5871 -7.4769 -7.4731 -7.3155 -7.3152 -7.1947 -7.1901 -2.2527 -2.2364 -2.2202 -2.2056 -0.8525 -0.7433 -0.6917 -0.6086 -0.5617 -0.5114 -0.4198 -0.3282 -0.0975 -0.0369 0.0263 0.0655 1.4691 1.4822 2.4589 2.4773 2.8662 2.9309 3.2820 3.2983 3.5916 3.6170 4.0596 4.0716 4.1256 4.2070 4.3023 4.3863 4.4749 4.4869 7.1671 7.1754 8.5209 8.5267 8.8585 8.8765 9.7431 9.7516 k = 0.3421 0.2570 0.7459 ( 5642 PWs) bands (ev): -7.5912 -7.5889 -7.4769 -7.4735 -7.3143 -7.3140 -7.1942 -7.1898 -2.2538 -2.2387 -2.2211 -2.2045 -0.8520 -0.7547 -0.6962 -0.6064 -0.5594 -0.5132 -0.4302 -0.3370 -0.0900 -0.0286 0.0563 0.1000 1.4941 1.5077 2.4165 2.4366 2.8249 2.8852 3.2893 3.3006 3.6015 3.6247 4.0493 4.0701 4.1218 4.2091 4.3087 4.3925 4.4941 4.5055 7.1529 7.1600 8.5124 8.5165 8.8864 8.9052 9.7477 9.7566 k = 0.3553 0.2669 0.7335 ( 5652 PWs) bands (ev): -7.5926 -7.5903 -7.4774 -7.4745 -7.3129 -7.3126 -7.1940 -7.1899 -2.2553 -2.2411 -2.2221 -2.2037 -0.8535 -0.7653 -0.7010 -0.6062 -0.5596 -0.5133 -0.4324 -0.3410 -0.0841 -0.0229 0.0876 0.1354 1.5216 1.5357 2.3735 2.3959 2.7816 2.8376 3.2975 3.3040 3.6052 3.6260 4.0402 4.0688 4.1191 4.2107 4.3127 4.3956 4.5154 4.5260 7.1395 7.1452 8.5050 8.5069 8.9167 8.9368 9.7531 9.7626 k = 0.3684 0.2768 0.7212 ( 5651 PWs) bands (ev): -7.5935 -7.5911 -7.4785 -7.4760 -7.3114 -7.3111 -7.1941 -7.1903 -2.2571 -2.2434 -2.2232 -2.2031 -0.8576 -0.7744 -0.7058 -0.6076 -0.5620 -0.5117 -0.4272 -0.3399 -0.0792 -0.0185 0.1184 0.1703 1.5510 1.5654 2.3315 2.3564 2.7374 2.7893 3.3052 3.3089 3.6025 3.6210 4.0326 4.0674 4.1179 4.2118 4.3137 4.3955 4.5368 4.5471 7.1282 7.1323 8.4982 8.4992 8.9487 8.9710 9.7586 9.7695 k = 0.3816 0.2867 0.7088 ( 5653 PWs) bands (ev): -7.5936 -7.5912 -7.4802 -7.4781 -7.3098 -7.3095 -7.1945 -7.1910 -2.2593 -2.2456 -2.2244 -2.2029 -0.8647 -0.7817 -0.7101 -0.6100 -0.5649 -0.5099 -0.4158 -0.3335 -0.0749 -0.0146 0.1478 0.2038 1.5817 1.5964 2.2916 2.3190 2.6933 2.7413 3.3100 3.3165 3.5940 3.6102 4.0268 4.0659 4.1179 4.2127 4.3116 4.3926 4.5564 4.5671 7.1200 7.1228 8.4913 8.4950 8.9815 9.0070 9.7634 9.7766 k = 0.3947 0.2966 0.6964 ( 5653 PWs) bands (ev): -7.5931 -7.5906 -7.4827 -7.4808 -7.3081 -7.3078 -7.1953 -7.1920 -2.2619 -2.2478 -2.2256 -2.2030 -0.8742 -0.7878 -0.7135 -0.6129 -0.5669 -0.5088 -0.3997 -0.3219 -0.0709 -0.0109 0.1749 0.2352 1.6130 1.6279 2.2549 2.2847 2.6503 2.6947 3.3134 3.3244 3.5800 3.5942 4.0226 4.0648 4.1189 4.2132 4.3068 4.3873 4.5726 4.5843 7.1155 7.1181 8.4862 8.4929 9.0143 9.0441 9.7664 9.7830 k = 0.4079 0.3064 0.6841 ( 5658 PWs) bands (ev): -7.5918 -7.5893 -7.4859 -7.4843 -7.3062 -7.3059 -7.1963 -7.1933 -2.2650 -2.2498 -2.2268 -2.2034 -0.8853 -0.7935 -0.7157 -0.6159 -0.5677 -0.5084 -0.3799 -0.3051 -0.0670 -0.0070 0.1990 0.2640 1.6441 1.6593 2.2223 2.2542 2.6094 2.6505 3.3158 3.3313 3.5614 3.5739 4.0200 4.0642 4.1204 4.2132 4.2994 4.3799 4.5842 4.5971 7.1154 7.1192 8.4832 8.4930 9.0463 9.0812 9.7663 9.7877 k = 0.4211 0.3163 0.6717 ( 5661 PWs) bands (ev): -7.5898 -7.5873 -7.4900 -7.4885 -7.3042 -7.3039 -7.1975 -7.1947 -2.2684 -2.2518 -2.2279 -2.2040 -0.8971 -0.7993 -0.7168 -0.6186 -0.5676 -0.5087 -0.3572 -0.2838 -0.0631 -0.0027 0.2198 0.2895 1.6742 1.6897 2.1945 2.2279 2.5715 2.6096 3.3168 3.3365 3.5388 3.5500 4.0187 4.0644 4.1219 4.2123 4.2902 4.3707 4.5905 4.6046 7.1206 7.1261 8.4826 8.4956 9.0769 9.1173 9.7619 9.7891 k = 0.4342 0.3262 0.6593 ( 5661 PWs) bands (ev): -7.5870 -7.5845 -7.4950 -7.4936 -7.3020 -7.3017 -7.1989 -7.1961 -2.2721 -2.2537 -2.2290 -2.2048 -0.9088 -0.8053 -0.7169 -0.6208 -0.5667 -0.5094 -0.3317 -0.2587 -0.0588 0.0024 0.2367 0.3116 1.7025 1.7182 2.1720 2.2063 2.5378 2.5732 3.3161 3.3396 3.5134 3.5234 4.0185 4.0654 4.1231 4.2095 4.2800 4.3599 4.5914 4.6063 7.1315 7.1386 8.4847 8.5009 9.1050 9.1511 9.7522 9.7860 k = 0.4474 0.3361 0.6470 ( 5663 PWs) bands (ev): -7.5837 -7.5812 -7.5009 -7.4995 -7.2997 -7.2994 -7.2002 -7.1976 -2.2761 -2.2556 -2.2301 -2.2058 -0.9201 -0.8114 -0.7164 -0.6225 -0.5652 -0.5103 -0.3037 -0.2308 -0.0540 0.0085 0.2496 0.3299 1.7278 1.7437 2.1549 2.1896 2.5090 2.5423 3.3131 3.3398 3.4862 3.4949 4.0189 4.0667 4.1240 4.2039 4.2699 4.3480 4.5871 4.6025 7.1479 7.1564 8.4895 8.5088 9.1299 9.1814 9.7369 9.7776 k = 0.4605 0.3460 0.6346 ( 5659 PWs) bands (ev): -7.5798 -7.5774 -7.5077 -7.5062 -7.2971 -7.2969 -7.2015 -7.1988 -2.2801 -2.2575 -2.2312 -2.2068 -0.9307 -0.8174 -0.7156 -0.6238 -0.5635 -0.5114 -0.2734 -0.2012 -0.0483 0.0163 0.2583 0.3443 1.7494 1.7655 2.1432 2.1779 2.4861 2.5182 3.3070 3.3362 3.4591 3.4655 4.0192 4.0677 4.1248 4.1942 4.2609 4.3351 4.5785 4.5941 7.1693 7.1788 8.4971 8.5196 9.1503 9.2066 9.7162 9.7639 k = 0.4737 0.3559 0.6222 ( 5659 PWs) bands (ev): -7.5759 -7.5734 -7.5151 -7.5135 -7.2944 -7.2941 -7.2025 -7.1998 -2.2842 -2.2593 -2.2323 -2.2078 -0.9405 -0.8231 -0.7147 -0.6249 -0.5616 -0.5125 -0.2417 -0.1715 -0.0409 0.0265 0.2631 0.3550 1.7664 1.7827 2.1362 2.1710 2.4699 2.5017 3.2967 3.3273 3.4339 3.4370 4.0184 4.0672 4.1261 4.1804 4.2529 4.3216 4.5671 4.5824 7.1947 7.2050 8.5074 8.5330 9.1649 9.2249 9.6908 9.7459 k = 0.4868 0.3657 0.6099 ( 5667 PWs) bands (ev): -7.5727 -7.5703 -7.5222 -7.5207 -7.2914 -7.2911 -7.2032 -7.2004 -2.2882 -2.2612 -2.2336 -2.2087 -0.9492 -0.8284 -0.7139 -0.6258 -0.5595 -0.5135 -0.2098 -0.1431 -0.0312 0.0404 0.2644 0.3624 1.7783 1.7950 2.1331 2.1686 2.4609 2.4934 3.2805 3.3114 3.4095 3.4149 4.0149 4.0635 4.1285 4.1642 4.2445 4.3077 4.5546 4.5693 7.2232 7.2339 8.5201 8.5488 9.1722 9.2344 9.6613 9.7244 k = 0.5000 0.3756 0.5975 ( 5654 PWs) bands (ev): -7.5719 -7.5696 -7.5273 -7.5261 -7.2882 -7.2878 -7.2034 -7.2006 -2.2920 -2.2631 -2.2349 -2.2093 -0.9569 -0.8333 -0.7132 -0.6266 -0.5573 -0.5145 -0.1802 -0.1176 -0.0177 0.0591 0.2630 0.3668 1.7851 1.8025 2.1330 2.1701 2.4593 2.4932 3.2572 3.2878 3.3880 3.3999 4.0071 4.0557 4.1286 4.1510 4.2337 4.2942 4.5428 4.5567 7.2537 7.2643 8.5348 8.5665 9.1705 9.2332 9.6273 9.6982 k = 0.5000 0.3756 0.5975 ( 5654 PWs) bands (ev): -7.5719 -7.5696 -7.5273 -7.5261 -7.2882 -7.2878 -7.2034 -7.2006 -2.2920 -2.2631 -2.2349 -2.2093 -0.9569 -0.8333 -0.7132 -0.6266 -0.5573 -0.5145 -0.1802 -0.1176 -0.0177 0.0591 0.2630 0.3668 1.7851 1.8025 2.1330 2.1701 2.4593 2.4932 3.2572 3.2878 3.3880 3.3999 4.0071 4.0557 4.1286 4.1510 4.2337 4.2942 4.5428 4.5567 7.2537 7.2643 8.5348 8.5665 9.1705 9.2332 9.6273 9.6982 k = 0.5000 0.3756 0.5762 ( 5652 PWs) bands (ev): -7.5755 -7.5733 -7.5325 -7.5317 -7.2822 -7.2816 -7.2032 -7.2002 -2.2982 -2.2663 -2.2375 -2.2102 -0.9687 -0.8412 -0.7118 -0.6289 -0.5537 -0.5161 -0.1337 -0.0776 0.0119 0.0963 0.2603 0.3724 1.7932 1.8122 2.1351 2.1757 2.4629 2.4996 3.2096 3.2403 3.3572 3.3789 3.9886 4.0376 4.1193 4.1382 4.2130 4.2727 4.5235 4.5362 7.3072 7.3175 8.5598 8.5968 9.1549 9.2163 9.5593 9.6400 k = 0.5000 0.3756 0.5548 ( 5654 PWs) bands (ev): -7.5814 -7.5791 -7.5370 -7.5355 -7.2755 -7.2748 -7.2024 -7.1992 -2.3038 -2.2697 -2.2404 -2.2108 -0.9792 -0.8489 -0.7101 -0.6328 -0.5506 -0.5173 -0.0912 -0.0405 0.0472 0.1321 0.2625 0.3784 1.8027 1.8235 2.1377 2.1820 2.4663 2.5057 3.1606 3.1921 3.3302 3.3592 3.9695 4.0186 4.1094 4.1245 4.1945 4.2524 4.5027 4.5149 7.3602 7.3700 8.5804 8.6228 9.1320 9.1926 9.4833 9.5714 k = 0.5000 0.3756 0.5335 ( 5656 PWs) bands (ev): -7.5897 -7.5869 -7.5404 -7.5383 -7.2684 -7.2675 -7.2010 -7.1976 -2.3088 -2.2732 -2.2437 -2.2113 -0.9883 -0.8566 -0.7082 -0.6380 -0.5483 -0.5179 -0.0548 -0.0078 0.0891 0.1618 0.2744 0.3852 1.8137 1.8366 2.1408 2.1890 2.4694 2.5116 3.1121 3.1437 3.3069 3.3409 3.9500 3.9991 4.0989 4.1103 4.1781 4.2335 4.4806 4.4935 7.4115 7.4208 8.5949 8.6422 9.1030 9.1643 9.4021 9.4937 k = 0.5000 0.3756 0.5122 ( 5652 PWs) bands (ev): -7.5995 -7.5963 -7.5432 -7.5405 -7.2606 -7.2597 -7.1988 -7.1954 -2.3130 -2.2768 -2.2470 -2.2117 -0.9962 -0.8641 -0.7064 -0.6443 -0.5472 -0.5176 -0.0253 0.0183 0.1359 0.1844 0.2988 0.3940 1.8264 1.8518 2.1446 2.1968 2.4720 2.5170 3.0656 3.0962 3.2870 3.3242 3.9302 3.9792 4.0877 4.0958 4.1636 4.2158 4.4576 4.4722 7.4603 7.4690 8.6017 8.6527 9.0685 9.1318 9.3183 9.4084 k = 0.5000 0.3756 0.4908 ( 5670 PWs) bands (ev): -7.6104 -7.6069 -7.5458 -7.5428 -7.2525 -7.2514 -7.1958 -7.1923 -2.3165 -2.2804 -2.2505 -2.2119 -1.0029 -0.8713 -0.7047 -0.6516 -0.5474 -0.5163 -0.0026 0.0346 0.1783 0.2132 0.3304 0.4070 1.8411 1.8693 2.1490 2.2055 2.4739 2.5219 3.0223 3.0505 3.2702 3.3095 3.9102 3.9591 4.0751 4.0820 4.1510 4.1992 4.4343 4.4512 7.5053 7.5133 8.5997 8.6522 9.0277 9.0920 9.2357 9.3212 k = 0.5000 0.3756 0.4695 ( 5654 PWs) bands (ev): -7.6220 -7.6183 -7.5485 -7.5453 -7.2438 -7.2426 -7.1921 -7.1886 -2.3191 -2.2841 -2.2539 -2.2120 -1.0086 -0.8783 -0.7032 -0.6596 -0.5488 -0.5141 0.0135 0.0395 0.2071 0.2626 0.3591 0.4291 1.8578 1.8895 2.1542 2.2150 2.4749 2.5262 2.9829 3.0078 3.2565 3.2970 3.8901 3.9391 4.0605 4.0696 4.1401 4.1836 4.4111 4.4305 7.5456 7.5527 8.5885 8.6398 8.9774 9.0383 9.1603 9.2397 k = 0.5000 0.3756 0.4481 ( 5656 PWs) bands (ev): -7.6340 -7.6302 -7.5515 -7.5483 -7.2348 -7.2335 -7.1876 -7.1841 -2.3210 -2.2879 -2.2573 -2.2121 -1.0131 -0.8850 -0.7020 -0.6684 -0.5511 -0.5115 0.0200 0.0372 0.2345 0.3204 0.3792 0.4628 1.8767 1.9124 2.1600 2.2253 2.4749 2.5297 2.9482 2.9690 3.2456 3.2868 3.8701 3.9192 4.0448 4.0579 4.1309 4.1690 4.3884 4.4104 7.5799 7.5863 8.5683 8.6158 8.9144 8.9666 9.0957 9.1684 k = 0.5000 0.3756 0.4268 ( 5656 PWs) bands (ev): -7.6463 -7.6424 -7.5550 -7.5519 -7.2254 -7.2240 -7.1825 -7.1790 -2.3221 -2.2915 -2.2606 -2.2120 -1.0167 -0.8913 -0.7014 -0.6775 -0.5540 -0.5088 0.0095 0.0382 0.2641 0.3790 0.3946 0.5039 1.8977 1.9379 2.1666 2.2366 2.4735 2.5325 2.9188 2.9356 3.2374 3.2791 3.8503 3.8996 4.0288 4.0464 4.1234 4.1553 4.3665 4.3909 7.6074 7.6129 8.5396 8.5815 8.8391 8.8825 9.0401 9.1072 k = 0.5000 0.3756 0.4055 ( 5646 PWs) bands (ev): -7.6586 -7.6548 -7.5590 -7.5559 -7.2157 -7.2143 -7.1766 -7.1732 -2.3224 -2.2951 -2.2638 -2.2119 -1.0192 -0.8973 -0.7016 -0.6866 -0.5575 -0.5061 -0.0114 0.0385 0.2944 0.4038 0.4424 0.5480 1.9204 1.9658 2.1739 2.2486 2.4705 2.5343 2.8944 2.9093 3.2315 3.2739 3.8308 3.8803 4.0127 4.0347 4.1175 4.1424 4.3457 4.3723 7.6272 7.6319 8.5030 8.5385 8.7557 8.7940 8.9917 9.0541 k = 0.5000 0.3756 0.3841 ( 5654 PWs) bands (ev): -7.6709 -7.6671 -7.5634 -7.5605 -7.2057 -7.2043 -7.1703 -7.1670 -2.3219 -2.2985 -2.2669 -2.2117 -1.0208 -0.9029 -0.7046 -0.6939 -0.5615 -0.5037 -0.0373 0.0349 0.3236 0.4154 0.5023 0.5934 1.9446 1.9955 2.1819 2.2613 2.4660 2.5350 2.8748 2.8924 3.2280 3.2712 3.8117 3.8615 3.9968 4.0228 4.1132 4.1304 4.3263 4.3545 7.6386 7.6426 8.4588 8.4882 8.6691 8.7059 8.9510 9.0087 k = 0.5000 0.3756 0.3628 ( 5650 PWs) bands (ev): -7.6830 -7.6793 -7.5683 -7.5655 -7.1956 -7.1941 -7.1635 -7.1603 -2.3208 -2.3017 -2.2700 -2.2114 -1.0215 -0.9080 -0.7126 -0.6969 -0.5657 -0.5017 -0.0663 0.0270 0.3503 0.4268 0.5617 0.6394 1.9697 2.0261 2.1905 2.2743 2.4598 2.5344 2.8611 2.8853 3.2265 3.2709 3.7930 3.8430 3.9809 4.0108 4.1102 4.1194 4.3083 4.3377 7.6414 7.6450 8.4077 8.4319 8.5833 8.6210 8.9187 8.9712 k = 0.5000 0.3756 0.3414 ( 5656 PWs) bands (ev): -7.6949 -7.6912 -7.5735 -7.5709 -7.1853 -7.1839 -7.1564 -7.1534 -2.3190 -2.3046 -2.2729 -2.2112 -1.0212 -0.9127 -0.7230 -0.6981 -0.5704 -0.5004 -0.0972 0.0153 0.3737 0.4382 0.6200 0.6862 1.9950 2.0564 2.1997 2.2873 2.4524 2.5325 2.8553 2.8878 3.2269 3.2728 3.7749 3.8249 3.9651 3.9984 4.1060 4.1120 4.2920 4.3219 7.6358 7.6390 8.3506 8.3709 8.5013 8.5408 8.8950 8.9417 k = 0.5000 0.3756 0.3201 ( 5652 PWs) bands (ev): -7.7064 -7.7028 -7.5789 -7.5765 -7.1751 -7.1736 -7.1490 -7.1463 -2.3169 -2.3070 -2.2758 -2.2109 -1.0200 -0.9168 -0.7343 -0.6991 -0.5753 -0.5000 -0.1292 0.0003 0.3931 0.4493 0.6767 0.7337 2.0198 2.0852 2.2093 2.2995 2.4442 2.5293 2.8585 2.8997 3.2291 3.2768 3.7575 3.8073 3.9493 3.9857 4.0974 4.1113 4.2774 4.3071 7.6223 7.6249 8.2888 8.3074 8.4248 8.4656 8.8790 8.9195 k = 0.5000 0.3756 0.2988 ( 5658 PWs) bands (ev): -7.7175 -7.7141 -7.5845 -7.5823 -7.1649 -7.1633 -7.1416 -7.1390 -2.3150 -2.3083 -2.2784 -2.2107 -1.0179 -0.9204 -0.7460 -0.7003 -0.5806 -0.5006 -0.1613 -0.0175 0.4087 0.4598 0.7318 0.7820 2.0436 2.1112 2.2189 2.3099 2.4363 2.5248 2.8716 2.9208 3.2330 3.2826 3.7407 3.7901 3.9335 3.9726 4.0887 4.1129 4.2645 4.2932 7.6017 7.6033 8.2243 8.2440 8.3543 8.3955 8.8693 8.9036 k = 0.5000 0.3756 0.2774 ( 5656 PWs) bands (ev): -7.7281 -7.7249 -7.5902 -7.5882 -7.1549 -7.1533 -7.1342 -7.1318 -2.3149 -2.3071 -2.2809 -2.2105 -1.0148 -0.9235 -0.7580 -0.7019 -0.5862 -0.5028 -0.1925 -0.0375 0.4209 0.4690 0.7852 0.8308 2.0658 2.1336 2.2281 2.3173 2.4297 2.5196 2.8945 2.9506 3.2385 3.2900 3.7248 3.7734 3.9176 3.9591 4.0807 4.1158 4.2533 4.2802 7.5746 7.5750 8.1598 8.1835 8.2895 8.3300 8.8643 8.8925 k = 0.5000 0.3756 0.2561 ( 5652 PWs) bands (ev): -7.7382 -7.7351 -7.5959 -7.5940 -7.1451 -7.1435 -7.1269 -7.1247 -2.3161 -2.3043 -2.2829 -2.2104 -1.0107 -0.9258 -0.7701 -0.7038 -0.5921 -0.5068 -0.2218 -0.0590 0.4305 0.4765 0.8369 0.8795 2.0860 2.1522 2.2363 2.3201 2.4261 2.5141 2.9268 2.9885 3.2457 3.2988 3.7096 3.7571 3.9014 3.9450 4.0737 4.1197 4.2437 4.2679 7.5409 7.5420 8.0982 8.1276 8.2299 8.2691 8.8622 8.8849 k = 0.5000 0.3756 0.2347 ( 5660 PWs) bands (ev): -7.7477 -7.7448 -7.6014 -7.5997 -7.1357 -7.1341 -7.1198 -7.1179 -2.3174 -2.3013 -2.2840 -2.2104 -1.0056 -0.9275 -0.7822 -0.7064 -0.5983 -0.5130 -0.2483 -0.0815 0.4380 0.4821 0.8869 0.9274 2.1042 2.1673 2.2425 2.3177 2.4261 2.5087 2.9673 3.0333 3.2544 3.3089 3.6954 3.7414 3.8848 3.9304 4.0675 4.1243 4.2357 4.2563 7.5024 7.5047 8.0418 8.0773 8.1750 8.2125 8.8612 8.8793 k = 0.5000 0.3756 0.2134 ( 5660 PWs) bands (ev): -7.7565 -7.7538 -7.6068 -7.6053 -7.1268 -7.1251 -7.1129 -7.1113 -2.3186 -2.2995 -2.2833 -2.2106 -0.9994 -0.9284 -0.7944 -0.7097 -0.6047 -0.5218 -0.2709 -0.1044 0.4439 0.4859 0.9351 0.9740 2.1203 2.1793 2.2463 2.3105 2.4294 2.5038 3.0144 3.0833 3.2651 3.3202 3.6822 3.7262 3.8676 3.9152 4.0624 4.1292 4.2291 4.2452 7.4606 7.4638 7.9921 8.0333 8.1250 8.1603 8.8589 8.8742 k = 0.5000 0.3756 0.1921 ( 5662 PWs) bands (ev): -7.7646 -7.7621 -7.6118 -7.6105 -7.1184 -7.1168 -7.1065 -7.1050 -2.3196 -2.2994 -2.2804 -2.2111 -0.9922 -0.9285 -0.8064 -0.7141 -0.6113 -0.5329 -0.2889 -0.1274 0.4486 0.4880 0.9813 1.0184 2.1344 2.1889 2.2476 2.2999 2.4348 2.4998 3.0661 3.1362 3.2781 3.3330 3.6699 3.7116 3.8497 3.8993 4.0581 4.1341 4.2237 4.2348 7.4169 7.4204 7.9500 7.9956 8.0798 8.1127 8.8485 8.8667 k = 0.5000 0.3756 0.1707 ( 5664 PWs) bands (ev): -7.7719 -7.7696 -7.6165 -7.6154 -7.1107 -7.1091 -7.1004 -7.0992 -2.3203 -2.3007 -2.2760 -2.2118 -0.9840 -0.9277 -0.8182 -0.7201 -0.6178 -0.5459 -0.3022 -0.1500 0.4524 0.4886 1.0252 1.0602 2.1467 2.1965 2.2464 2.2872 2.4412 2.4966 3.1201 3.1884 3.2950 3.3479 3.6588 3.6977 3.8309 3.8828 4.0548 4.1383 4.2189 4.2255 7.3727 7.3760 7.9154 7.9639 8.0398 8.0698 8.8150 8.8515 k = 0.5000 0.3756 0.1494 ( 5636 PWs) bands (ev): -7.7784 -7.7764 -7.6208 -7.6198 -7.1037 -7.1022 -7.0948 -7.0938 -2.3207 -2.3025 -2.2706 -2.2129 -0.9748 -0.9258 -0.8296 -0.7282 -0.6239 -0.5598 -0.3110 -0.1718 0.4555 0.4881 1.0662 1.0987 2.1573 2.2024 2.2433 2.2737 2.4480 2.4942 3.1737 3.2338 3.3187 3.3670 3.6490 3.6845 3.8109 3.8654 4.0525 4.1409 4.2133 4.2191 7.3296 7.3322 7.8880 7.9373 8.0054 8.0318 8.7662 8.8176 k = 0.5000 0.3756 0.1280 ( 5626 PWs) bands (ev): -7.7841 -7.7824 -7.6247 -7.6238 -7.0975 -7.0961 -7.0898 -7.0890 -2.3208 -2.3045 -2.2650 -2.2143 -0.9648 -0.9227 -0.8406 -0.7389 -0.6292 -0.5735 -0.3157 -0.1927 0.4581 0.4868 1.1039 1.1333 2.1664 2.2069 2.2387 2.2601 2.4546 2.4925 3.2229 3.2668 3.3501 3.3954 3.6404 3.6721 3.7896 3.8469 4.0513 4.1409 4.2072 4.2158 7.2888 7.2906 7.8672 7.9150 7.9769 7.9991 8.7162 8.7698 k = 0.5000 0.3756 0.1067 ( 5636 PWs) bands (ev): -7.7890 -7.7875 -7.6280 -7.6273 -7.0923 -7.0910 -7.0853 -7.0847 -2.3206 -2.3066 -2.2591 -2.2162 -0.9544 -0.9183 -0.8508 -0.7525 -0.6331 -0.5863 -0.3171 -0.2123 0.4605 0.4848 1.1378 1.1634 2.1740 2.2101 2.2335 2.2473 2.4608 2.4911 3.2626 3.2897 3.3843 3.4370 3.6335 3.6606 3.7666 3.8272 4.0516 4.1371 4.2030 4.2138 7.2516 7.2527 7.8522 7.8957 7.9546 7.9719 8.6700 8.7202 k = 0.5000 0.3756 0.0854 ( 5632 PWs) bands (ev): -7.7930 -7.7918 -7.6307 -7.6302 -7.0880 -7.0869 -7.0815 -7.0811 -2.3201 -2.3087 -2.2533 -2.2185 -0.9440 -0.9125 -0.8597 -0.7686 -0.6353 -0.5977 -0.3155 -0.2304 0.4627 0.4824 1.1671 1.1885 2.1802 2.2119 2.2282 2.2363 2.4664 2.4899 3.2892 3.3076 3.4224 3.4858 3.6284 3.6503 3.7418 3.8057 4.0534 4.1294 4.2015 4.2124 7.2192 7.2199 7.8420 7.8790 7.9383 7.9502 8.6301 8.6740 k = 0.5000 0.3756 0.0640 ( 5636 PWs) bands (ev): -7.7960 -7.7951 -7.6329 -7.6325 -7.0846 -7.0837 -7.0784 -7.0781 -2.3194 -2.3107 -2.2477 -2.2213 -0.9343 -0.9060 -0.8660 -0.7866 -0.6358 -0.6074 -0.3115 -0.2471 0.4648 0.4798 1.1915 1.2080 2.1852 2.2115 2.2233 2.2284 2.4715 2.4887 3.3058 3.3205 3.4647 3.5342 3.6258 3.6411 3.7157 3.7820 4.0573 4.1187 4.2019 4.2111 7.1926 7.1934 7.8359 7.8645 7.9271 7.9342 8.5986 8.6339 k = 0.5000 0.3756 0.0427 ( 5638 PWs) bands (ev): -7.7982 -7.7976 -7.6345 -7.6342 -7.0821 -7.0816 -7.0761 -7.0759 -2.3185 -2.3126 -2.2423 -2.2246 -0.9256 -0.9023 -0.8660 -0.8055 -0.6347 -0.6157 -0.3053 -0.2621 0.4671 0.4771 1.2101 1.2214 2.1892 2.2076 2.2206 2.2241 2.4759 2.4871 3.3170 3.3280 3.5080 3.5746 3.6270 3.6335 3.6902 3.7556 4.0633 4.1064 4.2034 4.2099 7.1730 7.1737 7.8333 7.8525 7.9199 7.9234 8.5770 8.6017 k = 0.5000 0.3756 0.0213 ( 5638 PWs) bands (ev): -7.7994 -7.7991 -7.6354 -7.6352 -7.0806 -7.0803 -7.0747 -7.0746 -2.3173 -2.3143 -2.2373 -2.2283 -0.9176 -0.9045 -0.8570 -0.8244 -0.6320 -0.6225 -0.2972 -0.2755 0.4694 0.4745 1.2227 1.2285 2.1930 2.2021 2.2202 2.2219 2.4796 2.4852 3.3248 3.3307 3.5485 3.5934 3.6281 3.6321 3.6775 3.7266 4.0716 4.0937 4.2053 4.2086 7.1611 7.1615 7.8337 7.8433 7.9160 7.9173 8.5663 8.5790 k = 0.5000 0.3756 0.0000 ( 5654 PWs) bands (ev): -7.7998 -7.7998 -7.6356 -7.6356 -7.0800 -7.0800 -7.0742 -7.0742 -2.3159 -2.3159 -2.2326 -2.2326 -0.9104 -0.9104 -0.8421 -0.8421 -0.6280 -0.6280 -0.2872 -0.2872 0.4719 0.4719 1.2289 1.2289 2.1971 2.1971 2.2207 2.2207 2.4827 2.4827 3.3295 3.3295 3.5811 3.5811 3.6283 3.6283 3.6966 3.6966 4.0819 4.0819 4.2070 4.2070 7.1572 7.1572 7.8371 7.8371 7.9150 7.9150 8.5670 8.5670 k = 0.0000 0.0000 0.8324 ( 5680 PWs) bands (ev): -7.5778 -7.5778 -7.4794 -7.4794 -7.3168 -7.3168 -7.1951 -7.1951 -2.2361 -2.2361 -2.2161 -2.2161 -0.7621 -0.7621 -0.6943 -0.6943 -0.6033 -0.6033 -0.4510 -0.4510 -0.1495 -0.1495 0.3119 0.3119 1.7540 1.7540 2.1350 2.1350 2.4402 2.4402 3.5198 3.5198 3.6615 3.6615 4.1403 4.1403 4.2035 4.2035 4.5176 4.5176 4.6118 4.6118 6.8825 6.8825 8.3203 8.3203 9.0065 9.0065 9.6916 9.6916 k = 0.0167 0.0125 0.8324 ( 5676 PWs) bands (ev): -7.5778 -7.5778 -7.4797 -7.4791 -7.3169 -7.3169 -7.1954 -7.1948 -2.2374 -2.2347 -2.2164 -2.2158 -0.7717 -0.7544 -0.6957 -0.6888 -0.6066 -0.5999 -0.4537 -0.4478 -0.1522 -0.1449 0.3066 0.3096 1.7474 1.7489 2.1376 2.1409 2.4430 2.4531 3.5180 3.5186 3.6607 3.6612 4.1393 4.1407 4.2023 4.2041 4.5145 4.5160 4.6092 4.6094 6.8857 6.8865 8.3225 8.3229 9.0044 9.0049 9.6921 9.6924 k = 0.0333 0.0250 0.8324 ( 5672 PWs) bands (ev): -7.5778 -7.5777 -7.4800 -7.4789 -7.3170 -7.3169 -7.1957 -7.1946 -2.2388 -2.2335 -2.2168 -2.2154 -0.7822 -0.7489 -0.6937 -0.6790 -0.6096 -0.5965 -0.4562 -0.4441 -0.1529 -0.1385 0.2938 0.2998 1.7300 1.7331 2.1494 2.1547 2.4613 2.4804 3.5132 3.5143 3.6586 3.6597 4.1376 4.1405 4.2005 4.2041 4.5069 4.5102 4.6019 4.6024 6.8959 6.8974 8.3296 8.3304 8.9985 8.9994 9.6938 9.6942 k = 0.0500 0.0376 0.8324 ( 5666 PWs) bands (ev): -7.5777 -7.5776 -7.4802 -7.4786 -7.3171 -7.3171 -7.1960 -7.1943 -2.2402 -2.2323 -2.2171 -2.2151 -0.7930 -0.7450 -0.6895 -0.6659 -0.6117 -0.5932 -0.4584 -0.4395 -0.1518 -0.1305 0.2740 0.2830 1.7037 1.7085 2.1703 2.1760 2.4928 2.5193 3.5053 3.5068 3.6551 3.6569 4.1352 4.1398 4.1979 4.2035 4.4950 4.5003 4.5903 4.5910 6.9127 6.9149 8.3412 8.3425 8.9889 8.9903 9.6966 9.6972 k = 0.0667 0.0501 0.8324 ( 5670 PWs) bands (ev): -7.5776 -7.5775 -7.4804 -7.4783 -7.3173 -7.3172 -7.1963 -7.1941 -2.2416 -2.2312 -2.2175 -2.2147 -0.8034 -0.7419 -0.6837 -0.6525 -0.6111 -0.5899 -0.4603 -0.4337 -0.1490 -0.1212 0.2479 0.2597 1.6714 1.6777 2.1998 2.2044 2.5345 2.5670 3.4942 3.4962 3.6502 3.6528 4.1319 4.1388 4.1946 4.2023 4.4792 4.4869 4.5752 4.5761 6.9353 6.9382 8.3570 8.3587 8.9758 8.9776 9.7002 9.7012 k = 0.0833 0.0626 0.8324 ( 5650 PWs) bands (ev): -7.5774 -7.5773 -7.4806 -7.4780 -7.3175 -7.3175 -7.1966 -7.1939 -2.2429 -2.2302 -2.2178 -2.2143 -0.8131 -0.7389 -0.6769 -0.6438 -0.6037 -0.5867 -0.4615 -0.4261 -0.1448 -0.1108 0.2164 0.2309 1.6355 1.6431 2.2365 2.2392 2.5834 2.6209 3.4799 3.4824 3.6435 3.6472 4.1278 4.1377 4.1905 4.2005 4.4599 4.4709 4.5574 4.5586 6.9627 6.9664 8.3764 8.3784 8.9592 8.9615 9.7047 9.7060 k = 0.1000 0.0751 0.8324 ( 5652 PWs) bands (ev): -7.5772 -7.5771 -7.4808 -7.4777 -7.3178 -7.3177 -7.1969 -7.1937 -2.2441 -2.2294 -2.2182 -2.2139 -0.8221 -0.7358 -0.6698 -0.6423 -0.5875 -0.5836 -0.4616 -0.4163 -0.1395 -0.0998 0.1804 0.1975 1.5982 1.6067 2.2792 2.2796 2.6371 2.6789 3.4624 3.4653 3.6349 3.6401 4.1230 4.1364 4.1856 4.1982 4.4379 4.4531 4.5380 4.5395 6.9940 6.9984 8.3986 8.4010 8.9397 8.9426 9.7097 9.7113 k = 0.1167 0.0876 0.8324 ( 5646 PWs) bands (ev): -7.5770 -7.5769 -7.4810 -7.4775 -7.3180 -7.3179 -7.1972 -7.1935 -2.2452 -2.2287 -2.2185 -2.2135 -0.8303 -0.7323 -0.6627 -0.6448 -0.5806 -0.5671 -0.4598 -0.4038 -0.1335 -0.0885 0.1410 0.1605 1.5612 1.5704 2.3241 2.3263 2.6933 2.7394 3.4417 3.4450 3.6240 3.6311 4.1174 4.1352 4.1798 4.1954 4.4141 4.4346 4.5181 4.5197 7.0277 7.0328 8.4228 8.4255 8.9179 8.9213 9.7150 9.7169 k = 0.1333 0.1002 0.8324 ( 5642 PWs) bands (ev): -7.5768 -7.5766 -7.4812 -7.4773 -7.3183 -7.3182 -7.1974 -7.1934 -2.2462 -2.2281 -2.2189 -2.2130 -0.8375 -0.7284 -0.6561 -0.6489 -0.5779 -0.5464 -0.4541 -0.3882 -0.1273 -0.0775 0.0992 0.1210 1.5259 1.5354 2.3715 2.3762 2.7504 2.8007 3.4182 3.4218 3.6107 3.6204 4.1112 4.1342 4.1733 4.1921 4.3893 4.4163 4.4986 4.5004 7.0625 7.0683 8.4481 8.4510 8.8944 8.8984 9.7203 9.7226 k = 0.1500 0.1127 0.8324 ( 5640 PWs) bands (ev): -7.5766 -7.5764 -7.4813 -7.4770 -7.3185 -7.3185 -7.1976 -7.1932 -2.2472 -2.2277 -2.2192 -2.2126 -0.8437 -0.7241 -0.6538 -0.6502 -0.5754 -0.5290 -0.4421 -0.3692 -0.1218 -0.0674 0.0562 0.0801 1.4933 1.5030 2.4199 2.4273 2.8067 2.8615 3.3924 3.3961 3.5946 3.6079 4.1046 4.1335 4.1663 4.1886 4.3646 4.3992 4.4804 4.4823 7.0970 7.1034 8.4733 8.4763 8.8702 8.8749 9.7253 9.7279 k = 0.1667 0.1252 0.8324 ( 5640 PWs) bands (ev): -7.5764 -7.5762 -7.4814 -7.4769 -7.3188 -7.3187 -7.1978 -7.1931 -2.2480 -2.2273 -2.2195 -2.2122 -0.8491 -0.7195 -0.6591 -0.6452 -0.5734 -0.5175 -0.4216 -0.3467 -0.1181 -0.0595 0.0134 0.0394 1.4643 1.4740 2.4675 2.4777 2.8605 2.9200 3.3653 3.3688 3.5761 3.5940 4.0979 4.1332 4.1591 4.1849 4.3410 4.3840 4.4643 4.4662 7.1297 7.1367 8.4975 8.5004 8.8465 8.8520 9.7297 9.7326 k = 0.1833 0.1377 0.8324 ( 5636 PWs) bands (ev): -7.5762 -7.5760 -7.4815 -7.4767 -7.3190 -7.3189 -7.1980 -7.1930 -2.2486 -2.2271 -2.2197 -2.2119 -0.8534 -0.7147 -0.6645 -0.6412 -0.5717 -0.5112 -0.3935 -0.3207 -0.1191 -0.0575 -0.0258 0.0029 1.4396 1.4493 2.5123 2.5252 2.9101 2.9744 3.3386 3.3413 3.5554 3.5793 4.0914 4.1333 4.1523 4.1815 4.3197 4.3714 4.4508 4.4525 7.1590 7.1666 8.5194 8.5220 8.8245 8.8310 9.7334 9.7366 k = 0.2000 0.1503 0.8324 ( 5642 PWs) bands (ev): -7.5761 -7.5759 -7.4816 -7.4766 -7.3192 -7.3191 -7.1981 -7.1929 -2.2491 -2.2269 -2.2199 -2.2116 -0.8568 -0.7098 -0.6700 -0.6381 -0.5704 -0.5080 -0.3599 -0.2913 -0.1314 -0.0731 -0.0546 -0.0174 1.4198 1.4293 2.5517 2.5672 2.9532 3.0220 3.3142 3.3153 3.5340 3.5649 4.0857 4.1337 4.1463 4.1785 4.3015 4.3616 4.4401 4.4416 7.1837 7.1917 8.5380 8.5401 8.8056 8.8130 9.7363 9.7397 k = 0.2167 0.1628 0.8324 ( 5626 PWs) bands (ev): -7.5760 -7.5758 -7.4816 -7.4765 -7.3193 -7.3192 -7.1982 -7.1929 -2.2495 -2.2267 -2.2201 -2.2114 -0.8592 -0.7050 -0.6752 -0.6359 -0.5695 -0.5065 -0.3230 -0.2590 -0.1602 -0.1070 -0.0675 -0.0204 1.4053 1.4147 2.5829 2.6008 2.9874 3.0597 3.2932 3.2950 3.5142 3.5525 4.0812 4.1343 4.1417 4.1763 4.2876 4.3546 4.4324 4.4337 7.2023 7.2107 8.5522 8.5537 8.7909 8.7993 9.7384 9.7419 k = 0.2333 0.1753 0.8324 ( 5622 PWs) bands (ev): -7.5759 -7.5757 -7.4816 -7.4764 -7.3194 -7.3193 -7.1983 -7.1929 -2.2497 -2.2267 -2.2201 -2.2112 -0.8607 -0.7009 -0.6795 -0.6347 -0.5690 -0.5059 -0.2842 -0.2246 -0.1978 -0.1451 -0.0712 -0.0195 1.3965 1.4058 2.6031 2.6227 3.0098 3.0839 3.2782 3.2832 3.4996 3.5439 4.0783 4.1348 4.1387 4.1749 4.2788 4.3504 4.4277 4.4290 7.2140 7.2225 8.5612 8.5621 8.7815 8.7907 9.7396 9.7432 k = 0.2500 0.1878 0.8324 ( 5628 PWs) bands (ev): -7.5759 -7.5757 -7.4817 -7.4764 -7.3194 -7.3193 -7.1983 -7.1929 -2.2498 -2.2267 -2.2202 -2.2112 -0.8612 -0.6991 -0.6814 -0.6342 -0.5688 -0.5057 -0.2541 -0.2280 -0.1968 -0.1743 -0.0720 -0.0189 1.3935 1.4028 2.6102 2.6304 3.0177 3.0922 3.2727 3.2794 3.4941 3.5408 4.0773 4.1350 4.1377 4.1744 4.2758 4.3491 4.4262 4.4274 7.2179 7.2266 8.5642 8.5650 8.7783 8.7878 9.7400 9.7436 Writing output data file Al2HgSe4.save init_run : 5.29s CPU 12.29s WALL ( 1 calls) electrons : 1053.12s CPU 1062.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.67s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1053.09s CPU 1061.74s WALL ( 1 calls) v_of_rho : 0.35s CPU 0.92s WALL ( 1 calls) v_h : 0.02s CPU 0.06s WALL ( 1 calls) v_xc : 0.32s CPU 0.66s WALL ( 1 calls) newd : 0.58s CPU 0.81s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 274 calls) cegterg : 1006.91s CPU 1012.41s WALL ( 656 calls) Called by sum_band: Called by *egterg: h_psi : 618.24s CPU 626.93s WALL ( 12210 calls) s_psi : 33.54s CPU 33.96s WALL ( 12210 calls) g_psi : 1.08s CPU 1.17s WALL ( 11280 calls) cdiaghg : 249.82s CPU 247.33s WALL ( 11554 calls) cegterg:over : 71.77s CPU 68.79s WALL ( 11280 calls) cegterg:upda : 18.61s CPU 22.02s WALL ( 11280 calls) cegterg:last : 16.24s CPU 17.16s WALL ( 2315 calls) Called by h_psi: h_psi:vloc : 544.91s CPU 551.80s WALL ( 12210 calls) h_psi:vnl : 72.87s CPU 73.92s WALL ( 12210 calls) add_vuspsi : 25.17s CPU 29.00s WALL ( 12210 calls) General routines calbec : 47.65s CPU 44.77s WALL ( 12210 calls) fft : 0.70s CPU 1.55s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 509.75s CPU 503.52s WALL ( 1424464 calls) interpolate : 0.14s CPU 0.15s WALL ( 4 calls) davcio : 0.06s CPU 1.73s WALL ( 548 calls) Parallel routines fft_scatter : 292.97s CPU 286.72s WALL ( 1424487 calls) PWSCF : 18m29.20s CPU 20m33.01s WALL This run was terminated on: 8: 1:39 25Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=