Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:27:57 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ni3Se2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 23 7 872 518 85 Max 34 24 8 878 536 89 Sum 1201 861 261 31457 18925 3173 bravais-lattice index = 14 lattice parameter (alat) = 8.0077 a.u. unit-cell volume = 513.4409 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.007714 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.007330 celldm(5)= -0.007330 celldm(6)= -0.007330 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.007330 0.999973 0.000000 ) a(3) = ( -0.007330 -0.007384 0.999946 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.007331 0.007385 ) b(2) = ( 0.000000 1.000027 0.007385 ) b(3) = ( 0.000000 0.000000 1.000054 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ni 10.00 58.69340 Ni( 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 and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0077557 -0.0078127 0.0077552), wk = 0.0024510 k( 3) = ( 0.0155113 -0.0156254 0.0155105), wk = 0.0024510 k( 4) = ( 0.0232670 -0.0234381 0.0232657), wk = 0.0024510 k( 5) = ( 0.0310226 -0.0312508 0.0310209), wk = 0.0024510 k( 6) = ( 0.0387782 -0.0390636 0.0387761), wk = 0.0024510 k( 7) = ( 0.0465339 -0.0468763 0.0465314), wk = 0.0024510 k( 8) = ( 0.0542895 -0.0546890 0.0542866), wk = 0.0024510 k( 9) = ( 0.0620452 -0.0625017 0.0620418), wk = 0.0024510 k( 10) = ( 0.0698008 -0.0703144 0.0697971), wk = 0.0024510 k( 11) = ( 0.0775565 -0.0781271 0.0775523), wk = 0.0024510 k( 12) = ( 0.0853121 -0.0859398 0.0853075), wk = 0.0024510 k( 13) = ( 0.0930678 -0.0937525 0.0930627), wk = 0.0024510 k( 14) = ( 0.1008234 -0.1015652 0.1008180), wk = 0.0024510 k( 15) = ( 0.1085791 -0.1093779 0.1085732), wk = 0.0024510 k( 16) = ( 0.1163347 -0.1171906 0.1163284), wk = 0.0024510 k( 17) = ( 0.1240904 -0.1250034 0.1240837), wk = 0.0024510 k( 18) = ( 0.1318460 -0.1328161 0.1318389), wk = 0.0024510 k( 19) = ( 0.1396017 -0.1406288 0.1395941), wk = 0.0024510 k( 20) = ( 0.1473573 -0.1484415 0.1473493), wk = 0.0024510 k( 21) = ( 0.1551130 -0.1562542 0.1551046), wk = 0.0024510 k( 22) = ( 0.1628686 -0.1640669 0.1628598), wk = 0.0024510 k( 23) = ( 0.1706243 -0.1718796 0.1706150), wk = 0.0024510 k( 24) = ( 0.1783799 -0.1796923 0.1783703), wk = 0.0024510 k( 25) = ( 0.1861356 -0.1875050 0.1861255), wk = 0.0024510 k( 26) = ( 0.1938912 -0.1953177 0.1938807), wk = 0.0024510 k( 27) = ( 0.2016469 -0.2031305 0.2016359), wk = 0.0024510 k( 28) = ( 0.2094025 -0.2109432 0.2093912), wk = 0.0024510 k( 29) = ( 0.2171582 -0.2187559 0.2171464), wk = 0.0024510 k( 30) = ( 0.2249138 -0.2265686 0.2249016), wk = 0.0024510 k( 31) = ( 0.2326695 -0.2343813 0.2326569), wk = 0.0024510 k( 32) = ( 0.2404251 -0.2421940 0.2404121), wk = 0.0024510 k( 33) = ( 0.2481808 -0.2500067 0.2481673), wk = 0.0024510 k( 34) = ( 0.2559364 -0.2578194 0.2559225), wk = 0.0024510 k( 35) = ( 0.2636921 -0.2656321 0.2636778), wk = 0.0024510 k( 36) = ( 0.2714477 -0.2734448 0.2714330), wk = 0.0024510 k( 37) = ( 0.2792034 -0.2812576 0.2791882), wk = 0.0024510 k( 38) = ( 0.2869590 -0.2890703 0.2869435), wk = 0.0024510 k( 39) = ( 0.2947147 -0.2968830 0.2946987), wk = 0.0024510 k( 40) = ( 0.3024703 -0.3046957 0.3024539), wk = 0.0024510 k( 41) = ( 0.3102259 -0.3125084 0.3102092), wk = 0.0024510 k( 42) = ( 0.3179816 -0.3203211 0.3179644), wk = 0.0024510 k( 43) = ( 0.3257372 -0.3281338 0.3257196), wk = 0.0024510 k( 44) = ( 0.3334929 -0.3359465 0.3334748), wk = 0.0024510 k( 45) = ( 0.3412485 -0.3437592 0.3412301), wk = 0.0024510 k( 46) = ( 0.3490042 -0.3515719 0.3489853), wk = 0.0024510 k( 47) = ( 0.3567598 -0.3593847 0.3567405), wk = 0.0024510 k( 48) = ( 0.3645155 -0.3671974 0.3644958), wk = 0.0024510 k( 49) = ( 0.3722711 -0.3750101 0.3722510), wk = 0.0024510 k( 50) = ( 0.3800268 -0.3828228 0.3800062), wk = 0.0024510 k( 51) = ( 0.3877824 -0.3906355 0.3877614), wk = 0.0024510 k( 52) = ( 0.3955381 -0.3984482 0.3955167), wk = 0.0024510 k( 53) = ( 0.4032937 -0.4062609 0.4032719), wk = 0.0024510 k( 54) = ( 0.4110494 -0.4140736 0.4110271), wk = 0.0024510 k( 55) = ( 0.4188050 -0.4218863 0.4187824), wk = 0.0024510 k( 56) = ( 0.4265607 -0.4296990 0.4265376), wk = 0.0024510 k( 57) = ( 0.4343163 -0.4375118 0.4342928), wk = 0.0024510 k( 58) = ( 0.4420720 -0.4453245 0.4420480), wk = 0.0024510 k( 59) = ( 0.4498276 -0.4531372 0.4498033), wk = 0.0024510 k( 60) = ( 0.4575833 -0.4609499 0.4575585), wk = 0.0024510 k( 61) = ( 0.4653389 -0.4687626 0.4653137), wk = 0.0024510 k( 62) = ( 0.4730946 -0.4765753 0.4730690), wk = 0.0024510 k( 63) = ( 0.4808502 -0.4843880 0.4808242), wk = 0.0024510 k( 64) = ( 0.4886059 -0.4922007 0.4885794), wk = 0.0024510 k( 65) = ( 0.4963615 -0.5000134 0.4963346), wk = 0.0024510 k( 66) = ( 0.4963615 -0.5000134 0.4963346), wk = 0.0024510 k( 67) = ( 0.5000000 -0.4963482 0.5000271), wk = 0.0024510 k( 68) = ( 0.5000000 -0.4963482 0.5000271), wk = 0.0024510 k( 69) = ( 0.4999017 -0.4829334 0.5000271), wk = 0.0024510 k( 70) = ( 0.4998033 -0.4695185 0.5000271), wk = 0.0024510 k( 71) = ( 0.4997050 -0.4561037 0.5000271), wk = 0.0024510 k( 72) = ( 0.4996066 -0.4426889 0.5000271), wk = 0.0024510 k( 73) = ( 0.4995083 -0.4292741 0.5000271), wk = 0.0024510 k( 74) = ( 0.4994100 -0.4158593 0.5000271), wk = 0.0024510 k( 75) = ( 0.4993116 -0.4024445 0.5000271), wk = 0.0024510 k( 76) = ( 0.4992133 -0.3890297 0.5000271), wk = 0.0024510 k( 77) = ( 0.4991150 -0.3756148 0.5000271), wk = 0.0024510 k( 78) = ( 0.4990166 -0.3622000 0.5000271), wk = 0.0024510 k( 79) = ( 0.4989183 -0.3487852 0.5000271), wk = 0.0024510 k( 80) = ( 0.4988200 -0.3353704 0.5000271), wk = 0.0024510 k( 81) = ( 0.4987216 -0.3219556 0.5000271), wk = 0.0024510 k( 82) = ( 0.4986233 -0.3085408 0.5000271), wk = 0.0024510 k( 83) = ( 0.4985249 -0.2951259 0.5000271), wk = 0.0024510 k( 84) = ( 0.4984266 -0.2817111 0.5000271), wk = 0.0024510 k( 85) = ( 0.4983283 -0.2682963 0.5000271), wk = 0.0024510 k( 86) = ( 0.4982299 -0.2548815 0.5000271), wk = 0.0024510 k( 87) = ( 0.4981316 -0.2414667 0.5000271), wk = 0.0024510 k( 88) = ( 0.4980332 -0.2280519 0.5000271), wk = 0.0024510 k( 89) = ( 0.4979349 -0.2146370 0.5000271), wk = 0.0024510 k( 90) = ( 0.4978366 -0.2012222 0.5000271), wk = 0.0024510 k( 91) = ( 0.4977382 -0.1878074 0.5000271), wk = 0.0024510 k( 92) = ( 0.4976399 -0.1743926 0.5000271), wk = 0.0024510 k( 93) = ( 0.4975416 -0.1609778 0.5000271), wk = 0.0024510 k( 94) = ( 0.4974432 -0.1475630 0.5000271), wk = 0.0024510 k( 95) = ( 0.4973449 -0.1341482 0.5000271), wk = 0.0024510 k( 96) = ( 0.4972466 -0.1207333 0.5000271), wk = 0.0024510 k( 97) = ( 0.4971482 -0.1073185 0.5000271), wk = 0.0024510 k( 98) = ( 0.4970499 -0.0939037 0.5000271), wk = 0.0024510 k( 99) = ( 0.4969515 -0.0804889 0.5000271), wk = 0.0024510 k( 100) = ( 0.4968532 -0.0670741 0.5000271), wk = 0.0024510 k( 101) = ( 0.4967549 -0.0536593 0.5000271), wk = 0.0024510 k( 102) = ( 0.4966565 -0.0402445 0.5000271), wk = 0.0024510 k( 103) = ( 0.4965582 -0.0268296 0.5000271), wk = 0.0024510 k( 104) = ( 0.4964598 -0.0134148 0.5000271), wk = 0.0024510 k( 105) = ( 0.4963615 -0.0000000 0.5000271), wk = 0.0024510 k( 106) = ( 0.4962632 0.0134148 0.5000271), wk = 0.0024510 k( 107) = ( 0.4961648 0.0268296 0.5000271), wk = 0.0024510 k( 108) = ( 0.4960665 0.0402444 0.5000271), wk = 0.0024510 k( 109) = ( 0.4959682 0.0536593 0.5000271), wk = 0.0024510 k( 110) = ( 0.4958698 0.0670741 0.5000271), wk = 0.0024510 k( 111) = ( 0.4957715 0.0804889 0.5000271), wk = 0.0024510 k( 112) = ( 0.4956732 0.0939037 0.5000271), wk = 0.0024510 k( 113) = ( 0.4955748 0.1073185 0.5000271), wk = 0.0024510 k( 114) = ( 0.4954765 0.1207333 0.5000271), wk = 0.0024510 k( 115) = ( 0.4953781 0.1341482 0.5000271), wk = 0.0024510 k( 116) = ( 0.4952798 0.1475630 0.5000271), wk = 0.0024510 k( 117) = ( 0.4951815 0.1609778 0.5000271), wk = 0.0024510 k( 118) = ( 0.4950831 0.1743926 0.5000271), wk = 0.0024510 k( 119) = ( 0.4949848 0.1878074 0.5000271), wk = 0.0024510 k( 120) = ( 0.4948864 0.2012222 0.5000271), wk = 0.0024510 k( 121) = ( 0.4947881 0.2146371 0.5000271), wk = 0.0024510 k( 122) = ( 0.4946898 0.2280519 0.5000271), wk = 0.0024510 k( 123) = ( 0.4945914 0.2414667 0.5000271), wk = 0.0024510 k( 124) = ( 0.4944931 0.2548815 0.5000271), wk = 0.0024510 k( 125) = ( 0.4943948 0.2682963 0.5000271), wk = 0.0024510 k( 126) = ( 0.4942964 0.2817111 0.5000271), wk = 0.0024510 k( 127) = ( 0.4941981 0.2951259 0.5000271), wk = 0.0024510 k( 128) = ( 0.4940998 0.3085408 0.5000271), wk = 0.0024510 k( 129) = ( 0.4940014 0.3219556 0.5000271), wk = 0.0024510 k( 130) = ( 0.4939031 0.3353704 0.5000271), wk = 0.0024510 k( 131) = ( 0.4938047 0.3487852 0.5000271), wk = 0.0024510 k( 132) = ( 0.4937064 0.3622000 0.5000271), wk = 0.0024510 k( 133) = ( 0.4936081 0.3756148 0.5000271), wk = 0.0024510 k( 134) = ( 0.4935097 0.3890297 0.5000271), wk = 0.0024510 k( 135) = ( 0.4934114 0.4024445 0.5000271), wk = 0.0024510 k( 136) = ( 0.4933130 0.4158593 0.5000271), wk = 0.0024510 k( 137) = ( 0.4932147 0.4292741 0.5000271), wk = 0.0024510 k( 138) = ( 0.4931164 0.4426889 0.5000271), wk = 0.0024510 k( 139) = ( 0.4930180 0.4561037 0.5000271), wk = 0.0024510 k( 140) = ( 0.4929197 0.4695185 0.5000271), wk = 0.0024510 k( 141) = ( 0.4928214 0.4829334 0.5000271), wk = 0.0024510 k( 142) = ( 0.4927230 0.4963482 0.5000271), wk = 0.0024510 k( 143) = ( 0.4927230 0.4963482 0.5000271), wk = 0.0024510 k( 144) = ( 0.4850242 0.4885927 0.4922141), wk = 0.0024510 k( 145) = ( 0.4773254 0.4808373 0.4844012), wk = 0.0024510 k( 146) = ( 0.4696266 0.4730819 0.4765883), wk = 0.0024510 k( 147) = ( 0.4619278 0.4653264 0.4687754), wk = 0.0024510 k( 148) = ( 0.4542290 0.4575710 0.4609625), wk = 0.0024510 k( 149) = ( 0.4465302 0.4498155 0.4531495), wk = 0.0024510 k( 150) = ( 0.4388314 0.4420601 0.4453366), wk = 0.0024510 k( 151) = ( 0.4311327 0.4343047 0.4375237), wk = 0.0024510 k( 152) = ( 0.4234339 0.4265492 0.4297108), wk = 0.0024510 k( 153) = ( 0.4157350 0.4187938 0.4218978), wk = 0.0024510 k( 154) = ( 0.4080363 0.4110383 0.4140849), wk = 0.0024510 k( 155) = ( 0.4003375 0.4032829 0.4062720), wk = 0.0024510 k( 156) = ( 0.3926387 0.3955275 0.3984591), wk = 0.0024510 k( 157) = ( 0.3849399 0.3877720 0.3906461), wk = 0.0024510 k( 158) = ( 0.3772411 0.3800166 0.3828332), wk = 0.0024510 k( 159) = ( 0.3695423 0.3722611 0.3750203), wk = 0.0024510 k( 160) = ( 0.3618435 0.3645057 0.3672074), wk = 0.0024510 k( 161) = ( 0.3541447 0.3567502 0.3593945), wk = 0.0024510 k( 162) = ( 0.3464459 0.3489948 0.3515815), wk = 0.0024510 k( 163) = ( 0.3387471 0.3412394 0.3437686), wk = 0.0024510 k( 164) = ( 0.3310483 0.3334839 0.3359557), wk = 0.0024510 k( 165) = ( 0.3233495 0.3257285 0.3281428), wk = 0.0024510 k( 166) = ( 0.3156507 0.3179731 0.3203298), wk = 0.0024510 k( 167) = ( 0.3079519 0.3102176 0.3125169), wk = 0.0024510 k( 168) = ( 0.3002531 0.3024622 0.3047040), wk = 0.0024510 k( 169) = ( 0.2925543 0.2947067 0.2968911), wk = 0.0024510 k( 170) = ( 0.2848555 0.2869513 0.2890781), wk = 0.0024510 k( 171) = ( 0.2771567 0.2791958 0.2812652), wk = 0.0024510 k( 172) = ( 0.2694579 0.2714404 0.2734523), wk = 0.0024510 k( 173) = ( 0.2617591 0.2636850 0.2656394), wk = 0.0024510 k( 174) = ( 0.2540603 0.2559295 0.2578265), wk = 0.0024510 k( 175) = ( 0.2463615 0.2481741 0.2500135), wk = 0.0024510 k( 176) = ( 0.2386627 0.2404187 0.2422006), wk = 0.0024510 k( 177) = ( 0.2309639 0.2326632 0.2343877), wk = 0.0024510 k( 178) = ( 0.2232651 0.2249078 0.2265748), wk = 0.0024510 k( 179) = ( 0.2155663 0.2171523 0.2187618), wk = 0.0024510 k( 180) = ( 0.2078675 0.2093969 0.2109489), wk = 0.0024510 k( 181) = ( 0.2001687 0.2016414 0.2031360), wk = 0.0024510 k( 182) = ( 0.1924699 0.1938860 0.1953231), wk = 0.0024510 k( 183) = ( 0.1847711 0.1861306 0.1875101), wk = 0.0024510 k( 184) = ( 0.1770723 0.1783751 0.1796972), wk = 0.0024510 k( 185) = ( 0.1693735 0.1706197 0.1718843), wk = 0.0024510 k( 186) = ( 0.1616747 0.1628642 0.1640714), wk = 0.0024510 k( 187) = ( 0.1539760 0.1551088 0.1562585), wk = 0.0024510 k( 188) = ( 0.1462771 0.1473534 0.1484455), wk = 0.0024510 k( 189) = ( 0.1385783 0.1395979 0.1406326), wk = 0.0024510 k( 190) = ( 0.1308796 0.1318425 0.1328197), wk = 0.0024510 k( 191) = ( 0.1231808 0.1240870 0.1250068), wk = 0.0024510 k( 192) = ( 0.1154820 0.1163316 0.1171938), wk = 0.0024510 k( 193) = ( 0.1077832 0.1085762 0.1093809), wk = 0.0024510 k( 194) = ( 0.1000844 0.1008207 0.1015680), wk = 0.0024510 k( 195) = ( 0.0923856 0.0930653 0.0937551), wk = 0.0024510 k( 196) = ( 0.0846868 0.0853098 0.0859422), wk = 0.0024510 k( 197) = ( 0.0769880 0.0775544 0.0781292), wk = 0.0024510 k( 198) = ( 0.0692892 0.0697990 0.0703163), wk = 0.0024510 k( 199) = ( 0.0615904 0.0620435 0.0625034), wk = 0.0024510 k( 200) = ( 0.0538916 0.0542881 0.0546905), wk = 0.0024510 k( 201) = ( 0.0461928 0.0465326 0.0468775), wk = 0.0024510 k( 202) = ( 0.0384940 0.0387772 0.0390646), wk = 0.0024510 k( 203) = ( 0.0307952 0.0310218 0.0312517), wk = 0.0024510 k( 204) = ( 0.0230964 0.0232663 0.0234388), wk = 0.0024510 k( 205) = ( 0.0153976 0.0155109 0.0156258), wk = 0.0024510 k( 206) = ( 0.0076988 0.0077554 0.0078129), wk = 0.0024510 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 209) = ( 0.0094340 -0.0093651 0.0000000), wk = 0.0024510 k( 210) = ( 0.0188679 -0.0187301 0.0000000), wk = 0.0024510 k( 211) = ( 0.0283019 -0.0280952 0.0000000), wk = 0.0024510 k( 212) = ( 0.0377359 -0.0374602 0.0000000), wk = 0.0024510 k( 213) = ( 0.0471698 -0.0468253 0.0000000), wk = 0.0024510 k( 214) = ( 0.0566038 -0.0561904 0.0000000), wk = 0.0024510 k( 215) = ( 0.0660377 -0.0655554 0.0000000), wk = 0.0024510 k( 216) = ( 0.0754717 -0.0749205 0.0000000), wk = 0.0024510 k( 217) = ( 0.0849057 -0.0842855 0.0000000), wk = 0.0024510 k( 218) = ( 0.0943396 -0.0936506 0.0000000), wk = 0.0024510 k( 219) = ( 0.1037736 -0.1030157 0.0000000), wk = 0.0024510 k( 220) = ( 0.1132076 -0.1123807 0.0000000), wk = 0.0024510 k( 221) = ( 0.1226415 -0.1217458 0.0000000), wk = 0.0024510 k( 222) = ( 0.1320755 -0.1311108 0.0000000), wk = 0.0024510 k( 223) = ( 0.1415094 -0.1404759 0.0000000), wk = 0.0024510 k( 224) = ( 0.1509434 -0.1498410 0.0000000), wk = 0.0024510 k( 225) = ( 0.1603774 -0.1592060 0.0000000), wk = 0.0024510 k( 226) = ( 0.1698113 -0.1685711 0.0000000), wk = 0.0024510 k( 227) = ( 0.1792453 -0.1779361 0.0000000), wk = 0.0024510 k( 228) = ( 0.1886792 -0.1873012 0.0000000), wk = 0.0024510 k( 229) = ( 0.1981132 -0.1966663 0.0000000), wk = 0.0024510 k( 230) = ( 0.2075472 -0.2060313 0.0000000), wk = 0.0024510 k( 231) = ( 0.2169811 -0.2153964 0.0000000), wk = 0.0024510 k( 232) = ( 0.2264151 -0.2247614 0.0000000), wk = 0.0024510 k( 233) = ( 0.2358491 -0.2341265 0.0000000), wk = 0.0024510 k( 234) = ( 0.2452830 -0.2434916 0.0000000), wk = 0.0024510 k( 235) = ( 0.2547170 -0.2528566 0.0000000), wk = 0.0024510 k( 236) = ( 0.2641509 -0.2622217 0.0000000), wk = 0.0024510 k( 237) = ( 0.2735849 -0.2715867 0.0000000), wk = 0.0024510 k( 238) = ( 0.2830189 -0.2809518 0.0000000), wk = 0.0024510 k( 239) = ( 0.2924528 -0.2903169 0.0000000), wk = 0.0024510 k( 240) = ( 0.3018868 -0.2996819 0.0000000), wk = 0.0024510 k( 241) = ( 0.3113207 -0.3090470 0.0000000), wk = 0.0024510 k( 242) = ( 0.3207547 -0.3184120 0.0000000), wk = 0.0024510 k( 243) = ( 0.3301887 -0.3277771 0.0000000), wk = 0.0024510 k( 244) = ( 0.3396226 -0.3371422 0.0000000), wk = 0.0024510 k( 245) = ( 0.3490566 -0.3465072 0.0000000), wk = 0.0024510 k( 246) = ( 0.3584906 -0.3558723 0.0000000), wk = 0.0024510 k( 247) = ( 0.3679245 -0.3652373 0.0000000), wk = 0.0024510 k( 248) = ( 0.3773585 -0.3746024 0.0000000), wk = 0.0024510 k( 249) = ( 0.3867925 -0.3839675 0.0000000), wk = 0.0024510 k( 250) = ( 0.3962264 -0.3933325 0.0000000), wk = 0.0024510 k( 251) = ( 0.4056604 -0.4026976 0.0000000), wk = 0.0024510 k( 252) = ( 0.4150943 -0.4120626 0.0000000), wk = 0.0024510 k( 253) = ( 0.4245283 -0.4214277 0.0000000), wk = 0.0024510 k( 254) = ( 0.4339623 -0.4307928 0.0000000), wk = 0.0024510 k( 255) = ( 0.4433962 -0.4401578 0.0000000), wk = 0.0024510 k( 256) = ( 0.4528302 -0.4495229 0.0000000), wk = 0.0024510 k( 257) = ( 0.4622641 -0.4588879 0.0000000), wk = 0.0024510 k( 258) = ( 0.4716981 -0.4682530 0.0000000), wk = 0.0024510 k( 259) = ( 0.4811321 -0.4776181 0.0000000), wk = 0.0024510 k( 260) = ( 0.4905660 -0.4869831 0.0000000), wk = 0.0024510 k( 261) = ( 0.5000000 -0.4963482 0.0000000), wk = 0.0024510 k( 262) = ( 0.5000000 -0.4963482 0.0000000), wk = 0.0024510 k( 263) = ( 0.5000983 -0.4962491 -0.0134145), wk = 0.0024510 k( 264) = ( 0.5001967 -0.4961501 -0.0268289), wk = 0.0024510 k( 265) = ( 0.5002950 -0.4960510 -0.0402434), wk = 0.0024510 k( 266) = ( 0.5003933 -0.4959519 -0.0536578), wk = 0.0024510 k( 267) = ( 0.5004917 -0.4958529 -0.0670722), wk = 0.0024510 k( 268) = ( 0.5005900 -0.4957538 -0.0804867), wk = 0.0024510 k( 269) = ( 0.5006884 -0.4956548 -0.0939011), wk = 0.0024510 k( 270) = ( 0.5007867 -0.4955557 -0.1073156), wk = 0.0024510 k( 271) = ( 0.5008850 -0.4954566 -0.1207300), wk = 0.0024510 k( 272) = ( 0.5009834 -0.4953576 -0.1341445), wk = 0.0024510 k( 273) = ( 0.5010817 -0.4952585 -0.1475590), wk = 0.0024510 k( 274) = ( 0.5011800 -0.4951594 -0.1609734), wk = 0.0024510 k( 275) = ( 0.5012784 -0.4950604 -0.1743878), wk = 0.0024510 k( 276) = ( 0.5013767 -0.4949613 -0.1878023), wk = 0.0024510 k( 277) = ( 0.5014751 -0.4948623 -0.2012167), wk = 0.0024510 k( 278) = ( 0.5015734 -0.4947632 -0.2146312), wk = 0.0024510 k( 279) = ( 0.5016717 -0.4946641 -0.2280456), wk = 0.0024510 k( 280) = ( 0.5017701 -0.4945651 -0.2414601), wk = 0.0024510 k( 281) = ( 0.5018684 -0.4944660 -0.2548745), wk = 0.0024510 k( 282) = ( 0.5019668 -0.4943670 -0.2682890), wk = 0.0024510 k( 283) = ( 0.5020651 -0.4942679 -0.2817035), wk = 0.0024510 k( 284) = ( 0.5021634 -0.4941688 -0.2951179), wk = 0.0024510 k( 285) = ( 0.5022618 -0.4940698 -0.3085323), wk = 0.0024510 k( 286) = ( 0.5023601 -0.4939707 -0.3219468), wk = 0.0024510 k( 287) = ( 0.5024584 -0.4938716 -0.3353612), wk = 0.0024510 k( 288) = ( 0.5025568 -0.4937726 -0.3487757), wk = 0.0024510 k( 289) = ( 0.5026551 -0.4936735 -0.3621901), wk = 0.0024510 k( 290) = ( 0.5027535 -0.4935745 -0.3756046), wk = 0.0024510 k( 291) = ( 0.5028518 -0.4934754 -0.3890190), wk = 0.0024510 k( 292) = ( 0.5029501 -0.4933764 -0.4024335), wk = 0.0024510 k( 293) = ( 0.5030485 -0.4932773 -0.4158479), wk = 0.0024510 k( 294) = ( 0.5031468 -0.4931782 -0.4292624), wk = 0.0024510 k( 295) = ( 0.5032451 -0.4930792 -0.4426768), wk = 0.0024510 k( 296) = ( 0.5033435 -0.4929801 -0.4560913), wk = 0.0024510 k( 297) = ( 0.5034418 -0.4928810 -0.4695057), wk = 0.0024510 k( 298) = ( 0.5035401 -0.4927820 -0.4829202), wk = 0.0024510 k( 299) = ( 0.5036385 -0.4926829 -0.4963346), wk = 0.0024510 k( 300) = ( 0.5036385 -0.4926829 -0.4963346), wk = 0.0024510 k( 301) = ( 0.5072770 -0.4890177 -0.4926422), wk = 0.0024510 k( 302) = ( 0.5072770 -0.4890177 -0.4926422), wk = 0.0024510 k( 303) = ( 0.5071370 -0.4795430 -0.4830973), wk = 0.0024510 k( 304) = ( 0.5069971 -0.4700683 -0.4735524), wk = 0.0024510 k( 305) = ( 0.5068571 -0.4605937 -0.4640075), wk = 0.0024510 k( 306) = ( 0.5067172 -0.4511190 -0.4544626), wk = 0.0024510 k( 307) = ( 0.5065773 -0.4416443 -0.4449177), wk = 0.0024510 k( 308) = ( 0.5064373 -0.4321696 -0.4353728), wk = 0.0024510 k( 309) = ( 0.5062974 -0.4226950 -0.4258279), wk = 0.0024510 k( 310) = ( 0.5061574 -0.4132203 -0.4162830), wk = 0.0024510 k( 311) = ( 0.5060175 -0.4037456 -0.4067381), wk = 0.0024510 k( 312) = ( 0.5058776 -0.3942709 -0.3971933), wk = 0.0024510 k( 313) = ( 0.5057376 -0.3847963 -0.3876483), wk = 0.0024510 k( 314) = ( 0.5055977 -0.3753216 -0.3781035), wk = 0.0024510 k( 315) = ( 0.5054577 -0.3658469 -0.3685586), wk = 0.0024510 k( 316) = ( 0.5053178 -0.3563723 -0.3590137), wk = 0.0024510 k( 317) = ( 0.5051779 -0.3468976 -0.3494688), wk = 0.0024510 k( 318) = ( 0.5050379 -0.3374229 -0.3399239), wk = 0.0024510 k( 319) = ( 0.5048980 -0.3279482 -0.3303790), wk = 0.0024510 k( 320) = ( 0.5047580 -0.3184736 -0.3208341), wk = 0.0024510 k( 321) = ( 0.5046181 -0.3089989 -0.3112892), wk = 0.0024510 k( 322) = ( 0.5044781 -0.2995242 -0.3017443), wk = 0.0024510 k( 323) = ( 0.5043382 -0.2900496 -0.2921994), wk = 0.0024510 k( 324) = ( 0.5041982 -0.2805749 -0.2826545), wk = 0.0024510 k( 325) = ( 0.5040583 -0.2711002 -0.2731096), wk = 0.0024510 k( 326) = ( 0.5039184 -0.2616255 -0.2635647), wk = 0.0024510 k( 327) = ( 0.5037784 -0.2521509 -0.2540198), wk = 0.0024510 k( 328) = ( 0.5036385 -0.2426762 -0.2444749), wk = 0.0024510 k( 329) = ( 0.5034985 -0.2332015 -0.2349300), wk = 0.0024510 k( 330) = ( 0.5033586 -0.2237269 -0.2253851), wk = 0.0024510 k( 331) = ( 0.5032187 -0.2142522 -0.2158402), wk = 0.0024510 k( 332) = ( 0.5030787 -0.2047775 -0.2062953), wk = 0.0024510 k( 333) = ( 0.5029388 -0.1953028 -0.1967504), wk = 0.0024510 k( 334) = ( 0.5027988 -0.1858282 -0.1872055), wk = 0.0024510 k( 335) = ( 0.5026589 -0.1763535 -0.1776606), wk = 0.0024510 k( 336) = ( 0.5025190 -0.1668788 -0.1681157), wk = 0.0024510 k( 337) = ( 0.5023790 -0.1574042 -0.1585708), wk = 0.0024510 k( 338) = ( 0.5022391 -0.1479295 -0.1490259), wk = 0.0024510 k( 339) = ( 0.5020991 -0.1384548 -0.1394810), wk = 0.0024510 k( 340) = ( 0.5019592 -0.1289801 -0.1299361), wk = 0.0024510 k( 341) = ( 0.5018192 -0.1195055 -0.1203912), wk = 0.0024510 k( 342) = ( 0.5016793 -0.1100308 -0.1108463), wk = 0.0024510 k( 343) = ( 0.5015394 -0.1005561 -0.1013014), wk = 0.0024510 k( 344) = ( 0.5013994 -0.0910815 -0.0917565), wk = 0.0024510 k( 345) = ( 0.5012595 -0.0816068 -0.0822117), wk = 0.0024510 k( 346) = ( 0.5011195 -0.0721321 -0.0726667), wk = 0.0024510 k( 347) = ( 0.5009796 -0.0626574 -0.0631219), wk = 0.0024510 k( 348) = ( 0.5008396 -0.0531828 -0.0535770), wk = 0.0024510 k( 349) = ( 0.5006997 -0.0437081 -0.0440321), wk = 0.0024510 k( 350) = ( 0.5005598 -0.0342334 -0.0344872), wk = 0.0024510 k( 351) = ( 0.5004198 -0.0247588 -0.0249423), wk = 0.0024510 k( 352) = ( 0.5002799 -0.0152841 -0.0153974), wk = 0.0024510 k( 353) = ( 0.5001399 -0.0058094 -0.0058525), wk = 0.0024510 k( 354) = ( 0.5000000 0.0036653 0.0036924), wk = 0.0024510 k( 355) = ( 0.5000000 0.0036653 0.0036924), wk = 0.0024510 k( 356) = ( 0.5000000 -0.0057690 0.0130572), wk = 0.0024510 k( 357) = ( 0.5000000 -0.0152032 0.0224220), wk = 0.0024510 k( 358) = ( 0.5000000 -0.0246374 0.0317868), wk = 0.0024510 k( 359) = ( 0.5000000 -0.0340716 0.0411516), wk = 0.0024510 k( 360) = ( 0.5000000 -0.0435058 0.0505164), wk = 0.0024510 k( 361) = ( 0.5000000 -0.0529400 0.0598812), wk = 0.0024510 k( 362) = ( 0.5000000 -0.0623743 0.0692461), wk = 0.0024510 k( 363) = ( 0.5000000 -0.0718085 0.0786109), wk = 0.0024510 k( 364) = ( 0.5000000 -0.0812427 0.0879757), wk = 0.0024510 k( 365) = ( 0.5000000 -0.0906769 0.0973405), wk = 0.0024510 k( 366) = ( 0.5000000 -0.1001111 0.1067053), wk = 0.0024510 k( 367) = ( 0.5000000 -0.1095453 0.1160701), wk = 0.0024510 k( 368) = ( 0.5000000 -0.1189795 0.1254349), wk = 0.0024510 k( 369) = ( 0.5000000 -0.1284138 0.1347997), wk = 0.0024510 k( 370) = ( 0.5000000 -0.1378480 0.1441645), wk = 0.0024510 k( 371) = ( 0.5000000 -0.1472822 0.1535293), wk = 0.0024510 k( 372) = ( 0.5000000 -0.1567164 0.1628941), wk = 0.0024510 k( 373) = ( 0.5000000 -0.1661506 0.1722589), wk = 0.0024510 k( 374) = ( 0.5000000 -0.1755848 0.1816237), wk = 0.0024510 k( 375) = ( 0.5000000 -0.1850191 0.1909885), wk = 0.0024510 k( 376) = ( 0.5000000 -0.1944533 0.2003533), wk = 0.0024510 k( 377) = ( 0.5000000 -0.2038875 0.2097181), wk = 0.0024510 k( 378) = ( 0.5000000 -0.2133217 0.2190829), wk = 0.0024510 k( 379) = ( 0.5000000 -0.2227559 0.2284477), wk = 0.0024510 k( 380) = ( 0.5000000 -0.2321901 0.2378125), wk = 0.0024510 k( 381) = ( 0.5000000 -0.2416244 0.2471773), wk = 0.0024510 k( 382) = ( 0.5000000 -0.2510586 0.2565421), wk = 0.0024510 k( 383) = ( 0.5000000 -0.2604928 0.2659069), wk = 0.0024510 k( 384) = ( 0.5000000 -0.2699270 0.2752718), wk = 0.0024510 k( 385) = ( 0.5000000 -0.2793612 0.2846366), wk = 0.0024510 k( 386) = ( 0.5000000 -0.2887954 0.2940014), wk = 0.0024510 k( 387) = ( 0.5000000 -0.2982296 0.3033662), wk = 0.0024510 k( 388) = ( 0.5000000 -0.3076639 0.3127310), wk = 0.0024510 k( 389) = ( 0.5000000 -0.3170981 0.3220958), wk = 0.0024510 k( 390) = ( 0.5000000 -0.3265323 0.3314606), wk = 0.0024510 k( 391) = ( 0.5000000 -0.3359665 0.3408254), wk = 0.0024510 k( 392) = ( 0.5000000 -0.3454007 0.3501902), wk = 0.0024510 k( 393) = ( 0.5000000 -0.3548349 0.3595550), wk = 0.0024510 k( 394) = ( 0.5000000 -0.3642692 0.3689198), wk = 0.0024510 k( 395) = ( 0.5000000 -0.3737034 0.3782846), wk = 0.0024510 k( 396) = ( 0.5000000 -0.3831376 0.3876494), wk = 0.0024510 k( 397) = ( 0.5000000 -0.3925718 0.3970142), wk = 0.0024510 k( 398) = ( 0.5000000 -0.4020060 0.4063790), wk = 0.0024510 k( 399) = ( 0.5000000 -0.4114402 0.4157438), wk = 0.0024510 k( 400) = ( 0.5000000 -0.4208744 0.4251086), wk = 0.0024510 k( 401) = ( 0.5000000 -0.4303087 0.4344734), wk = 0.0024510 k( 402) = ( 0.5000000 -0.4397429 0.4438382), wk = 0.0024510 k( 403) = ( 0.5000000 -0.4491771 0.4532030), wk = 0.0024510 k( 404) = ( 0.5000000 -0.4586113 0.4625678), wk = 0.0024510 k( 405) = ( 0.5000000 -0.4680455 0.4719327), wk = 0.0024510 k( 406) = ( 0.5000000 -0.4774797 0.4812975), wk = 0.0024510 k( 407) = ( 0.5000000 -0.4869140 0.4906623), wk = 0.0024510 k( 408) = ( 0.5000000 -0.4963482 0.5000271), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0077557 -0.0078694 0.0077556), wk = 0.0024510 k( 3) = ( 0.0155113 -0.0157387 0.0155113), wk = 0.0024510 k( 4) = ( 0.0232670 -0.0236080 0.0232670), wk = 0.0024510 k( 5) = ( 0.0310226 -0.0314774 0.0310226), wk = 0.0024510 k( 6) = ( 0.0387782 -0.0393468 0.0387782), wk = 0.0024510 k( 7) = ( 0.0465339 -0.0472161 0.0465339), wk = 0.0024510 k( 8) = ( 0.0542895 -0.0550855 0.0542895), wk = 0.0024510 k( 9) = ( 0.0620452 -0.0629548 0.0620452), wk = 0.0024510 k( 10) = ( 0.0698008 -0.0708242 0.0698008), wk = 0.0024510 k( 11) = ( 0.0775565 -0.0786935 0.0775565), wk = 0.0024510 k( 12) = ( 0.0853121 -0.0865629 0.0853121), wk = 0.0024510 k( 13) = ( 0.0930678 -0.0944322 0.0930678), wk = 0.0024510 k( 14) = ( 0.1008234 -0.1023016 0.1008234), wk = 0.0024510 k( 15) = ( 0.1085791 -0.1101709 0.1085791), wk = 0.0024510 k( 16) = ( 0.1163347 -0.1180403 0.1163347), wk = 0.0024510 k( 17) = ( 0.1240904 -0.1259096 0.1240904), wk = 0.0024510 k( 18) = ( 0.1318460 -0.1337790 0.1318460), wk = 0.0024510 k( 19) = ( 0.1396017 -0.1416483 0.1396017), wk = 0.0024510 k( 20) = ( 0.1473573 -0.1495177 0.1473573), wk = 0.0024510 k( 21) = ( 0.1551130 -0.1573870 0.1551130), wk = 0.0024510 k( 22) = ( 0.1628686 -0.1652564 0.1628686), wk = 0.0024510 k( 23) = ( 0.1706243 -0.1731257 0.1706243), wk = 0.0024510 k( 24) = ( 0.1783799 -0.1809951 0.1783799), wk = 0.0024510 k( 25) = ( 0.1861356 -0.1888644 0.1861356), wk = 0.0024510 k( 26) = ( 0.1938912 -0.1967338 0.1938912), wk = 0.0024510 k( 27) = ( 0.2016469 -0.2046031 0.2016469), wk = 0.0024510 k( 28) = ( 0.2094025 -0.2124725 0.2094025), wk = 0.0024510 k( 29) = ( 0.2171582 -0.2203418 0.2171582), wk = 0.0024510 k( 30) = ( 0.2249138 -0.2282112 0.2249138), wk = 0.0024510 k( 31) = ( 0.2326695 -0.2360805 0.2326695), wk = 0.0024510 k( 32) = ( 0.2404251 -0.2439499 0.2404251), wk = 0.0024510 k( 33) = ( 0.2481808 -0.2518192 0.2481808), wk = 0.0024510 k( 34) = ( 0.2559364 -0.2596886 0.2559364), wk = 0.0024510 k( 35) = ( 0.2636921 -0.2675579 0.2636921), wk = 0.0024510 k( 36) = ( 0.2714477 -0.2754273 0.2714477), wk = 0.0024510 k( 37) = ( 0.2792034 -0.2832967 0.2792034), wk = 0.0024510 k( 38) = ( 0.2869590 -0.2911660 0.2869590), wk = 0.0024510 k( 39) = ( 0.2947147 -0.2990353 0.2947147), wk = 0.0024510 k( 40) = ( 0.3024703 -0.3069047 0.3024703), wk = 0.0024510 k( 41) = ( 0.3102259 -0.3147740 0.3102259), wk = 0.0024510 k( 42) = ( 0.3179816 -0.3226434 0.3179816), wk = 0.0024510 k( 43) = ( 0.3257372 -0.3305128 0.3257372), wk = 0.0024510 k( 44) = ( 0.3334929 -0.3383821 0.3334929), wk = 0.0024510 k( 45) = ( 0.3412485 -0.3462515 0.3412485), wk = 0.0024510 k( 46) = ( 0.3490042 -0.3541208 0.3490042), wk = 0.0024510 k( 47) = ( 0.3567598 -0.3619902 0.3567598), wk = 0.0024510 k( 48) = ( 0.3645155 -0.3698595 0.3645155), wk = 0.0024510 k( 49) = ( 0.3722711 -0.3777289 0.3722711), wk = 0.0024510 k( 50) = ( 0.3800268 -0.3855982 0.3800268), wk = 0.0024510 k( 51) = ( 0.3877824 -0.3934676 0.3877824), wk = 0.0024510 k( 52) = ( 0.3955381 -0.4013369 0.3955381), wk = 0.0024510 k( 53) = ( 0.4032937 -0.4092063 0.4032937), wk = 0.0024510 k( 54) = ( 0.4110494 -0.4170756 0.4110494), wk = 0.0024510 k( 55) = ( 0.4188050 -0.4249450 0.4188050), wk = 0.0024510 k( 56) = ( 0.4265607 -0.4328143 0.4265607), wk = 0.0024510 k( 57) = ( 0.4343163 -0.4406837 0.4343163), wk = 0.0024510 k( 58) = ( 0.4420720 -0.4485530 0.4420720), wk = 0.0024510 k( 59) = ( 0.4498276 -0.4564224 0.4498276), wk = 0.0024510 k( 60) = ( 0.4575833 -0.4642917 0.4575833), wk = 0.0024510 k( 61) = ( 0.4653389 -0.4721611 0.4653389), wk = 0.0024510 k( 62) = ( 0.4730946 -0.4800304 0.4730946), wk = 0.0024510 k( 63) = ( 0.4808502 -0.4878998 0.4808502), wk = 0.0024510 k( 64) = ( 0.4886059 -0.4957691 0.4886059), wk = 0.0024510 k( 65) = ( 0.4963615 -0.5036385 0.4963615), wk = 0.0024510 k( 66) = ( 0.4963615 -0.5036385 0.4963615), wk = 0.0024510 k( 67) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024510 k( 68) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024510 k( 69) = ( 0.4999017 -0.4865848 0.4999017), wk = 0.0024510 k( 70) = ( 0.4998033 -0.4731696 0.4998033), wk = 0.0024510 k( 71) = ( 0.4997050 -0.4597545 0.4997050), wk = 0.0024510 k( 72) = ( 0.4996066 -0.4463393 0.4996066), wk = 0.0024510 k( 73) = ( 0.4995083 -0.4329241 0.4995083), wk = 0.0024510 k( 74) = ( 0.4994100 -0.4195089 0.4994100), wk = 0.0024510 k( 75) = ( 0.4993116 -0.4060938 0.4993116), wk = 0.0024510 k( 76) = ( 0.4992133 -0.3926786 0.4992133), wk = 0.0024510 k( 77) = ( 0.4991150 -0.3792634 0.4991150), wk = 0.0024510 k( 78) = ( 0.4990166 -0.3658482 0.4990166), wk = 0.0024510 k( 79) = ( 0.4989183 -0.3524331 0.4989183), wk = 0.0024510 k( 80) = ( 0.4988200 -0.3390179 0.4988199), wk = 0.0024510 k( 81) = ( 0.4987216 -0.3256027 0.4987216), wk = 0.0024510 k( 82) = ( 0.4986233 -0.3121875 0.4986233), wk = 0.0024510 k( 83) = ( 0.4985249 -0.2987724 0.4985249), wk = 0.0024510 k( 84) = ( 0.4984266 -0.2853572 0.4984266), wk = 0.0024510 k( 85) = ( 0.4983283 -0.2719420 0.4983283), wk = 0.0024510 k( 86) = ( 0.4982299 -0.2585268 0.4982299), wk = 0.0024510 k( 87) = ( 0.4981316 -0.2451117 0.4981316), wk = 0.0024510 k( 88) = ( 0.4980332 -0.2316965 0.4980332), wk = 0.0024510 k( 89) = ( 0.4979349 -0.2182813 0.4979349), wk = 0.0024510 k( 90) = ( 0.4978366 -0.2048661 0.4978366), wk = 0.0024510 k( 91) = ( 0.4977382 -0.1914509 0.4977382), wk = 0.0024510 k( 92) = ( 0.4976399 -0.1780358 0.4976399), wk = 0.0024510 k( 93) = ( 0.4975416 -0.1646206 0.4975416), wk = 0.0024510 k( 94) = ( 0.4974432 -0.1512054 0.4974432), wk = 0.0024510 k( 95) = ( 0.4973449 -0.1377903 0.4973449), wk = 0.0024510 k( 96) = ( 0.4972466 -0.1243751 0.4972465), wk = 0.0024510 k( 97) = ( 0.4971482 -0.1109599 0.4971482), wk = 0.0024510 k( 98) = ( 0.4970499 -0.0975447 0.4970499), wk = 0.0024510 k( 99) = ( 0.4969515 -0.0841295 0.4969515), wk = 0.0024510 k( 100) = ( 0.4968532 -0.0707144 0.4968532), wk = 0.0024510 k( 101) = ( 0.4967549 -0.0572992 0.4967549), wk = 0.0024510 k( 102) = ( 0.4966565 -0.0438840 0.4966565), wk = 0.0024510 k( 103) = ( 0.4965582 -0.0304688 0.4965582), wk = 0.0024510 k( 104) = ( 0.4964598 -0.0170537 0.4964598), wk = 0.0024510 k( 105) = ( 0.4963615 -0.0036385 0.4963615), wk = 0.0024510 k( 106) = ( 0.4962632 0.0097767 0.4962632), wk = 0.0024510 k( 107) = ( 0.4961648 0.0231919 0.4961648), wk = 0.0024510 k( 108) = ( 0.4960665 0.0366070 0.4960665), wk = 0.0024510 k( 109) = ( 0.4959682 0.0500222 0.4959682), wk = 0.0024510 k( 110) = ( 0.4958698 0.0634374 0.4958698), wk = 0.0024510 k( 111) = ( 0.4957715 0.0768526 0.4957715), wk = 0.0024510 k( 112) = ( 0.4956732 0.0902677 0.4956732), wk = 0.0024510 k( 113) = ( 0.4955748 0.1036829 0.4955748), wk = 0.0024510 k( 114) = ( 0.4954765 0.1170981 0.4954765), wk = 0.0024510 k( 115) = ( 0.4953781 0.1305133 0.4953781), wk = 0.0024510 k( 116) = ( 0.4952798 0.1439284 0.4952798), wk = 0.0024510 k( 117) = ( 0.4951815 0.1573436 0.4951815), wk = 0.0024510 k( 118) = ( 0.4950831 0.1707588 0.4950831), wk = 0.0024510 k( 119) = ( 0.4949848 0.1841740 0.4949848), wk = 0.0024510 k( 120) = ( 0.4948864 0.1975891 0.4948864), wk = 0.0024510 k( 121) = ( 0.4947881 0.2110043 0.4947881), wk = 0.0024510 k( 122) = ( 0.4946898 0.2244195 0.4946898), wk = 0.0024510 k( 123) = ( 0.4945914 0.2378347 0.4945914), wk = 0.0024510 k( 124) = ( 0.4944931 0.2512499 0.4944931), wk = 0.0024510 k( 125) = ( 0.4943948 0.2646650 0.4943948), wk = 0.0024510 k( 126) = ( 0.4942964 0.2780802 0.4942964), wk = 0.0024510 k( 127) = ( 0.4941981 0.2914954 0.4941981), wk = 0.0024510 k( 128) = ( 0.4940998 0.3049106 0.4940998), wk = 0.0024510 k( 129) = ( 0.4940014 0.3183257 0.4940014), wk = 0.0024510 k( 130) = ( 0.4939031 0.3317409 0.4939031), wk = 0.0024510 k( 131) = ( 0.4938047 0.3451561 0.4938047), wk = 0.0024510 k( 132) = ( 0.4937064 0.3585713 0.4937064), wk = 0.0024510 k( 133) = ( 0.4936081 0.3719864 0.4936081), wk = 0.0024510 k( 134) = ( 0.4935097 0.3854016 0.4935097), wk = 0.0024510 k( 135) = ( 0.4934114 0.3988168 0.4934114), wk = 0.0024510 k( 136) = ( 0.4933130 0.4122320 0.4933131), wk = 0.0024510 k( 137) = ( 0.4932147 0.4256471 0.4932147), wk = 0.0024510 k( 138) = ( 0.4931164 0.4390623 0.4931164), wk = 0.0024510 k( 139) = ( 0.4930180 0.4524775 0.4930180), wk = 0.0024510 k( 140) = ( 0.4929197 0.4658927 0.4929197), wk = 0.0024510 k( 141) = ( 0.4928214 0.4793078 0.4928214), wk = 0.0024510 k( 142) = ( 0.4927230 0.4927230 0.4927230), wk = 0.0024510 k( 143) = ( 0.4927230 0.4927230 0.4927230), wk = 0.0024510 k( 144) = ( 0.4850242 0.4850242 0.4850242), wk = 0.0024510 k( 145) = ( 0.4773254 0.4773254 0.4773254), wk = 0.0024510 k( 146) = ( 0.4696266 0.4696266 0.4696266), wk = 0.0024510 k( 147) = ( 0.4619278 0.4619278 0.4619278), wk = 0.0024510 k( 148) = ( 0.4542290 0.4542290 0.4542290), wk = 0.0024510 k( 149) = ( 0.4465302 0.4465302 0.4465302), wk = 0.0024510 k( 150) = ( 0.4388314 0.4388314 0.4388314), wk = 0.0024510 k( 151) = ( 0.4311327 0.4311326 0.4311327), wk = 0.0024510 k( 152) = ( 0.4234339 0.4234338 0.4234339), wk = 0.0024510 k( 153) = ( 0.4157350 0.4157350 0.4157350), wk = 0.0024510 k( 154) = ( 0.4080363 0.4080363 0.4080363), wk = 0.0024510 k( 155) = ( 0.4003375 0.4003375 0.4003375), wk = 0.0024510 k( 156) = ( 0.3926387 0.3926387 0.3926387), wk = 0.0024510 k( 157) = ( 0.3849399 0.3849399 0.3849399), wk = 0.0024510 k( 158) = ( 0.3772411 0.3772411 0.3772411), wk = 0.0024510 k( 159) = ( 0.3695423 0.3695423 0.3695423), wk = 0.0024510 k( 160) = ( 0.3618435 0.3618435 0.3618435), wk = 0.0024510 k( 161) = ( 0.3541447 0.3541447 0.3541447), wk = 0.0024510 k( 162) = ( 0.3464459 0.3464459 0.3464459), wk = 0.0024510 k( 163) = ( 0.3387471 0.3387471 0.3387471), wk = 0.0024510 k( 164) = ( 0.3310483 0.3310483 0.3310483), wk = 0.0024510 k( 165) = ( 0.3233495 0.3233495 0.3233495), wk = 0.0024510 k( 166) = ( 0.3156507 0.3156507 0.3156507), wk = 0.0024510 k( 167) = ( 0.3079519 0.3079519 0.3079519), wk = 0.0024510 k( 168) = ( 0.3002531 0.3002531 0.3002531), wk = 0.0024510 k( 169) = ( 0.2925543 0.2925543 0.2925543), wk = 0.0024510 k( 170) = ( 0.2848555 0.2848555 0.2848555), wk = 0.0024510 k( 171) = ( 0.2771567 0.2771567 0.2771567), wk = 0.0024510 k( 172) = ( 0.2694579 0.2694579 0.2694579), wk = 0.0024510 k( 173) = ( 0.2617591 0.2617591 0.2617591), wk = 0.0024510 k( 174) = ( 0.2540603 0.2540603 0.2540603), wk = 0.0024510 k( 175) = ( 0.2463615 0.2463615 0.2463615), wk = 0.0024510 k( 176) = ( 0.2386627 0.2386627 0.2386627), wk = 0.0024510 k( 177) = ( 0.2309639 0.2309639 0.2309639), wk = 0.0024510 k( 178) = ( 0.2232651 0.2232651 0.2232651), wk = 0.0024510 k( 179) = ( 0.2155663 0.2155663 0.2155663), wk = 0.0024510 k( 180) = ( 0.2078675 0.2078675 0.2078675), wk = 0.0024510 k( 181) = ( 0.2001687 0.2001687 0.2001687), wk = 0.0024510 k( 182) = ( 0.1924699 0.1924699 0.1924699), wk = 0.0024510 k( 183) = ( 0.1847711 0.1847711 0.1847711), wk = 0.0024510 k( 184) = ( 0.1770723 0.1770723 0.1770723), wk = 0.0024510 k( 185) = ( 0.1693735 0.1693735 0.1693735), wk = 0.0024510 k( 186) = ( 0.1616747 0.1616747 0.1616747), wk = 0.0024510 k( 187) = ( 0.1539760 0.1539760 0.1539760), wk = 0.0024510 k( 188) = ( 0.1462771 0.1462771 0.1462771), wk = 0.0024510 k( 189) = ( 0.1385783 0.1385783 0.1385783), wk = 0.0024510 k( 190) = ( 0.1308796 0.1308795 0.1308796), wk = 0.0024510 k( 191) = ( 0.1231808 0.1231808 0.1231808), wk = 0.0024510 k( 192) = ( 0.1154820 0.1154820 0.1154820), wk = 0.0024510 k( 193) = ( 0.1077832 0.1077832 0.1077832), wk = 0.0024510 k( 194) = ( 0.1000844 0.1000844 0.1000844), wk = 0.0024510 k( 195) = ( 0.0923856 0.0923856 0.0923856), wk = 0.0024510 k( 196) = ( 0.0846868 0.0846868 0.0846868), wk = 0.0024510 k( 197) = ( 0.0769880 0.0769880 0.0769880), wk = 0.0024510 k( 198) = ( 0.0692892 0.0692892 0.0692892), wk = 0.0024510 k( 199) = ( 0.0615904 0.0615904 0.0615904), wk = 0.0024510 k( 200) = ( 0.0538916 0.0538916 0.0538916), wk = 0.0024510 k( 201) = ( 0.0461928 0.0461928 0.0461928), wk = 0.0024510 k( 202) = ( 0.0384940 0.0384940 0.0384940), wk = 0.0024510 k( 203) = ( 0.0307952 0.0307952 0.0307952), wk = 0.0024510 k( 204) = ( 0.0230964 0.0230964 0.0230964), wk = 0.0024510 k( 205) = ( 0.0153976 0.0153976 0.0153976), wk = 0.0024510 k( 206) = ( 0.0076988 0.0076988 0.0076988), wk = 0.0024510 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 209) = ( 0.0094340 -0.0094340 0.0000000), wk = 0.0024510 k( 210) = ( 0.0188679 -0.0188679 0.0000000), wk = 0.0024510 k( 211) = ( 0.0283019 -0.0283019 -0.0000000), wk = 0.0024510 k( 212) = ( 0.0377359 -0.0377359 -0.0000000), wk = 0.0024510 k( 213) = ( 0.0471698 -0.0471698 -0.0000000), wk = 0.0024510 k( 214) = ( 0.0566038 -0.0566038 0.0000000), wk = 0.0024510 k( 215) = ( 0.0660377 -0.0660377 -0.0000000), wk = 0.0024510 k( 216) = ( 0.0754717 -0.0754717 -0.0000000), wk = 0.0024510 k( 217) = ( 0.0849057 -0.0849057 -0.0000000), wk = 0.0024510 k( 218) = ( 0.0943396 -0.0943396 -0.0000000), wk = 0.0024510 k( 219) = ( 0.1037736 -0.1037736 -0.0000000), wk = 0.0024510 k( 220) = ( 0.1132076 -0.1132075 -0.0000000), wk = 0.0024510 k( 221) = ( 0.1226415 -0.1226415 -0.0000000), wk = 0.0024510 k( 222) = ( 0.1320755 -0.1320755 -0.0000000), wk = 0.0024510 k( 223) = ( 0.1415094 -0.1415094 -0.0000000), wk = 0.0024510 k( 224) = ( 0.1509434 -0.1509434 -0.0000000), wk = 0.0024510 k( 225) = ( 0.1603774 -0.1603774 0.0000000), wk = 0.0024510 k( 226) = ( 0.1698113 -0.1698113 -0.0000000), wk = 0.0024510 k( 227) = ( 0.1792453 -0.1792453 -0.0000000), wk = 0.0024510 k( 228) = ( 0.1886792 -0.1886792 -0.0000000), wk = 0.0024510 k( 229) = ( 0.1981132 -0.1981132 0.0000000), wk = 0.0024510 k( 230) = ( 0.2075472 -0.2075472 -0.0000000), wk = 0.0024510 k( 231) = ( 0.2169811 -0.2169811 -0.0000000), wk = 0.0024510 k( 232) = ( 0.2264151 -0.2264151 -0.0000000), wk = 0.0024510 k( 233) = ( 0.2358491 -0.2358491 0.0000000), wk = 0.0024510 k( 234) = ( 0.2452830 -0.2452830 -0.0000000), wk = 0.0024510 k( 235) = ( 0.2547170 -0.2547170 -0.0000000), wk = 0.0024510 k( 236) = ( 0.2641509 -0.2641509 -0.0000000), wk = 0.0024510 k( 237) = ( 0.2735849 -0.2735849 -0.0000000), wk = 0.0024510 k( 238) = ( 0.2830189 -0.2830189 -0.0000000), wk = 0.0024510 k( 239) = ( 0.2924528 -0.2924528 -0.0000000), wk = 0.0024510 k( 240) = ( 0.3018868 -0.3018868 0.0000000), wk = 0.0024510 k( 241) = ( 0.3113207 -0.3113207 -0.0000000), wk = 0.0024510 k( 242) = ( 0.3207547 -0.3207547 0.0000000), wk = 0.0024510 k( 243) = ( 0.3301887 -0.3301887 -0.0000000), wk = 0.0024510 k( 244) = ( 0.3396226 -0.3396226 -0.0000000), wk = 0.0024510 k( 245) = ( 0.3490566 -0.3490566 0.0000000), wk = 0.0024510 k( 246) = ( 0.3584906 -0.3584906 -0.0000000), wk = 0.0024510 k( 247) = ( 0.3679245 -0.3679245 -0.0000000), wk = 0.0024510 k( 248) = ( 0.3773585 -0.3773585 -0.0000000), wk = 0.0024510 k( 249) = ( 0.3867925 -0.3867925 0.0000000), wk = 0.0024510 k( 250) = ( 0.3962264 -0.3962264 0.0000000), wk = 0.0024510 k( 251) = ( 0.4056604 -0.4056604 0.0000000), wk = 0.0024510 k( 252) = ( 0.4150943 -0.4150943 -0.0000000), wk = 0.0024510 k( 253) = ( 0.4245283 -0.4245283 -0.0000000), wk = 0.0024510 k( 254) = ( 0.4339623 -0.4339623 -0.0000000), wk = 0.0024510 k( 255) = ( 0.4433962 -0.4433962 0.0000000), wk = 0.0024510 k( 256) = ( 0.4528302 -0.4528302 -0.0000000), wk = 0.0024510 k( 257) = ( 0.4622641 -0.4622642 -0.0000000), wk = 0.0024510 k( 258) = ( 0.4716981 -0.4716981 -0.0000000), wk = 0.0024510 k( 259) = ( 0.4811321 -0.4811321 -0.0000000), wk = 0.0024510 k( 260) = ( 0.4905660 -0.4905660 -0.0000000), wk = 0.0024510 k( 261) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0024510 k( 262) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0024510 k( 263) = ( 0.5000983 -0.4999017 -0.0134152), wk = 0.0024510 k( 264) = ( 0.5001967 -0.4998033 -0.0268303), wk = 0.0024510 k( 265) = ( 0.5002950 -0.4997050 -0.0402455), wk = 0.0024510 k( 266) = ( 0.5003933 -0.4996066 -0.0536607), wk = 0.0024510 k( 267) = ( 0.5004917 -0.4995083 -0.0670759), wk = 0.0024510 k( 268) = ( 0.5005900 -0.4994100 -0.0804911), wk = 0.0024510 k( 269) = ( 0.5006884 -0.4993116 -0.0939062), wk = 0.0024510 k( 270) = ( 0.5007867 -0.4992133 -0.1073214), wk = 0.0024510 k( 271) = ( 0.5008850 -0.4991150 -0.1207366), wk = 0.0024510 k( 272) = ( 0.5009834 -0.4990166 -0.1341518), wk = 0.0024510 k( 273) = ( 0.5010817 -0.4989183 -0.1475669), wk = 0.0024510 k( 274) = ( 0.5011800 -0.4988200 -0.1609821), wk = 0.0024510 k( 275) = ( 0.5012784 -0.4987216 -0.1743973), wk = 0.0024510 k( 276) = ( 0.5013767 -0.4986233 -0.1878125), wk = 0.0024510 k( 277) = ( 0.5014751 -0.4985249 -0.2012276), wk = 0.0024510 k( 278) = ( 0.5015734 -0.4984266 -0.2146428), wk = 0.0024510 k( 279) = ( 0.5016717 -0.4983283 -0.2280580), wk = 0.0024510 k( 280) = ( 0.5017701 -0.4982299 -0.2414732), wk = 0.0024510 k( 281) = ( 0.5018684 -0.4981316 -0.2548883), wk = 0.0024510 k( 282) = ( 0.5019668 -0.4980332 -0.2683035), wk = 0.0024510 k( 283) = ( 0.5020651 -0.4979349 -0.2817187), wk = 0.0024510 k( 284) = ( 0.5021634 -0.4978366 -0.2951339), wk = 0.0024510 k( 285) = ( 0.5022618 -0.4977382 -0.3085490), wk = 0.0024510 k( 286) = ( 0.5023601 -0.4976399 -0.3219642), wk = 0.0024510 k( 287) = ( 0.5024584 -0.4975416 -0.3353794), wk = 0.0024510 k( 288) = ( 0.5025568 -0.4974432 -0.3487946), wk = 0.0024510 k( 289) = ( 0.5026551 -0.4973449 -0.3622097), wk = 0.0024510 k( 290) = ( 0.5027535 -0.4972465 -0.3756249), wk = 0.0024510 k( 291) = ( 0.5028518 -0.4971482 -0.3890401), wk = 0.0024510 k( 292) = ( 0.5029501 -0.4970499 -0.4024553), wk = 0.0024510 k( 293) = ( 0.5030485 -0.4969515 -0.4158705), wk = 0.0024510 k( 294) = ( 0.5031468 -0.4968532 -0.4292856), wk = 0.0024510 k( 295) = ( 0.5032451 -0.4967549 -0.4427008), wk = 0.0024510 k( 296) = ( 0.5033435 -0.4966565 -0.4561160), wk = 0.0024510 k( 297) = ( 0.5034418 -0.4965582 -0.4695312), wk = 0.0024510 k( 298) = ( 0.5035401 -0.4964598 -0.4829463), wk = 0.0024510 k( 299) = ( 0.5036385 -0.4963615 -0.4963615), wk = 0.0024510 k( 300) = ( 0.5036385 -0.4963615 -0.4963615), wk = 0.0024510 k( 301) = ( 0.5072770 -0.4927230 -0.4927230), wk = 0.0024510 k( 302) = ( 0.5072770 -0.4927230 -0.4927230), wk = 0.0024510 k( 303) = ( 0.5071370 -0.4832476 -0.4832476), wk = 0.0024510 k( 304) = ( 0.5069971 -0.4737721 -0.4737721), wk = 0.0024510 k( 305) = ( 0.5068571 -0.4642967 -0.4642967), wk = 0.0024510 k( 306) = ( 0.5067172 -0.4548213 -0.4548212), wk = 0.0024510 k( 307) = ( 0.5065773 -0.4453458 -0.4453458), wk = 0.0024510 k( 308) = ( 0.5064373 -0.4358704 -0.4358704), wk = 0.0024510 k( 309) = ( 0.5062974 -0.4263949 -0.4263949), wk = 0.0024510 k( 310) = ( 0.5061574 -0.4169195 -0.4169195), wk = 0.0024510 k( 311) = ( 0.5060175 -0.4074440 -0.4074440), wk = 0.0024510 k( 312) = ( 0.5058776 -0.3979686 -0.3979686), wk = 0.0024510 k( 313) = ( 0.5057376 -0.3884932 -0.3884931), wk = 0.0024510 k( 314) = ( 0.5055977 -0.3790177 -0.3790177), wk = 0.0024510 k( 315) = ( 0.5054577 -0.3695423 -0.3695423), wk = 0.0024510 k( 316) = ( 0.5053178 -0.3600668 -0.3600668), wk = 0.0024510 k( 317) = ( 0.5051779 -0.3505914 -0.3505914), wk = 0.0024510 k( 318) = ( 0.5050379 -0.3411159 -0.3411159), wk = 0.0024510 k( 319) = ( 0.5048980 -0.3316405 -0.3316405), wk = 0.0024510 k( 320) = ( 0.5047580 -0.3221651 -0.3221651), wk = 0.0024510 k( 321) = ( 0.5046181 -0.3126896 -0.3126896), wk = 0.0024510 k( 322) = ( 0.5044781 -0.3032142 -0.3032142), wk = 0.0024510 k( 323) = ( 0.5043382 -0.2937387 -0.2937387), wk = 0.0024510 k( 324) = ( 0.5041982 -0.2842633 -0.2842633), wk = 0.0024510 k( 325) = ( 0.5040583 -0.2747878 -0.2747878), wk = 0.0024510 k( 326) = ( 0.5039184 -0.2653124 -0.2653124), wk = 0.0024510 k( 327) = ( 0.5037784 -0.2558370 -0.2558370), wk = 0.0024510 k( 328) = ( 0.5036385 -0.2463615 -0.2463615), wk = 0.0024510 k( 329) = ( 0.5034985 -0.2368861 -0.2368861), wk = 0.0024510 k( 330) = ( 0.5033586 -0.2274106 -0.2274106), wk = 0.0024510 k( 331) = ( 0.5032187 -0.2179352 -0.2179352), wk = 0.0024510 k( 332) = ( 0.5030787 -0.2084597 -0.2084597), wk = 0.0024510 k( 333) = ( 0.5029388 -0.1989843 -0.1989843), wk = 0.0024510 k( 334) = ( 0.5027988 -0.1895089 -0.1895089), wk = 0.0024510 k( 335) = ( 0.5026589 -0.1800334 -0.1800334), wk = 0.0024510 k( 336) = ( 0.5025190 -0.1705580 -0.1705580), wk = 0.0024510 k( 337) = ( 0.5023790 -0.1610825 -0.1610825), wk = 0.0024510 k( 338) = ( 0.5022391 -0.1516071 -0.1516071), wk = 0.0024510 k( 339) = ( 0.5020991 -0.1421316 -0.1421316), wk = 0.0024510 k( 340) = ( 0.5019592 -0.1326562 -0.1326562), wk = 0.0024510 k( 341) = ( 0.5018192 -0.1231808 -0.1231808), wk = 0.0024510 k( 342) = ( 0.5016793 -0.1137053 -0.1137053), wk = 0.0024510 k( 343) = ( 0.5015394 -0.1042299 -0.1042299), wk = 0.0024510 k( 344) = ( 0.5013994 -0.0947544 -0.0947544), wk = 0.0024510 k( 345) = ( 0.5012595 -0.0852790 -0.0852790), wk = 0.0024510 k( 346) = ( 0.5011195 -0.0758035 -0.0758035), wk = 0.0024510 k( 347) = ( 0.5009796 -0.0663281 -0.0663281), wk = 0.0024510 k( 348) = ( 0.5008396 -0.0568527 -0.0568527), wk = 0.0024510 k( 349) = ( 0.5006997 -0.0473772 -0.0473772), wk = 0.0024510 k( 350) = ( 0.5005598 -0.0379018 -0.0379018), wk = 0.0024510 k( 351) = ( 0.5004198 -0.0284263 -0.0284263), wk = 0.0024510 k( 352) = ( 0.5002799 -0.0189509 -0.0189509), wk = 0.0024510 k( 353) = ( 0.5001399 -0.0094754 -0.0094754), wk = 0.0024510 k( 354) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024510 k( 355) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024510 k( 356) = ( 0.5000000 -0.0094340 0.0094340), wk = 0.0024510 k( 357) = ( 0.5000000 -0.0188679 0.0188679), wk = 0.0024510 k( 358) = ( 0.5000000 -0.0283019 0.0283019), wk = 0.0024510 k( 359) = ( 0.5000000 -0.0377359 0.0377359), wk = 0.0024510 k( 360) = ( 0.5000000 -0.0471698 0.0471698), wk = 0.0024510 k( 361) = ( 0.5000000 -0.0566038 0.0566038), wk = 0.0024510 k( 362) = ( 0.5000000 -0.0660377 0.0660377), wk = 0.0024510 k( 363) = ( 0.5000000 -0.0754717 0.0754717), wk = 0.0024510 k( 364) = ( 0.5000000 -0.0849057 0.0849057), wk = 0.0024510 k( 365) = ( 0.5000000 -0.0943396 0.0943396), wk = 0.0024510 k( 366) = ( 0.5000000 -0.1037736 0.1037736), wk = 0.0024510 k( 367) = ( 0.5000000 -0.1132075 0.1132075), wk = 0.0024510 k( 368) = ( 0.5000000 -0.1226415 0.1226415), wk = 0.0024510 k( 369) = ( 0.5000000 -0.1320755 0.1320755), wk = 0.0024510 k( 370) = ( 0.5000000 -0.1415094 0.1415094), wk = 0.0024510 k( 371) = ( 0.5000000 -0.1509434 0.1509434), wk = 0.0024510 k( 372) = ( 0.5000000 -0.1603774 0.1603774), wk = 0.0024510 k( 373) = ( 0.5000000 -0.1698113 0.1698113), wk = 0.0024510 k( 374) = ( 0.5000000 -0.1792453 0.1792453), wk = 0.0024510 k( 375) = ( 0.5000000 -0.1886792 0.1886792), wk = 0.0024510 k( 376) = ( 0.5000000 -0.1981132 0.1981132), wk = 0.0024510 k( 377) = ( 0.5000000 -0.2075472 0.2075472), wk = 0.0024510 k( 378) = ( 0.5000000 -0.2169811 0.2169811), wk = 0.0024510 k( 379) = ( 0.5000000 -0.2264151 0.2264151), wk = 0.0024510 k( 380) = ( 0.5000000 -0.2358491 0.2358491), wk = 0.0024510 k( 381) = ( 0.5000000 -0.2452830 0.2452830), wk = 0.0024510 k( 382) = ( 0.5000000 -0.2547170 0.2547170), wk = 0.0024510 k( 383) = ( 0.5000000 -0.2641509 0.2641509), wk = 0.0024510 k( 384) = ( 0.5000000 -0.2735849 0.2735849), wk = 0.0024510 k( 385) = ( 0.5000000 -0.2830189 0.2830189), wk = 0.0024510 k( 386) = ( 0.5000000 -0.2924528 0.2924528), wk = 0.0024510 k( 387) = ( 0.5000000 -0.3018868 0.3018868), wk = 0.0024510 k( 388) = ( 0.5000000 -0.3113207 0.3113207), wk = 0.0024510 k( 389) = ( 0.5000000 -0.3207547 0.3207547), wk = 0.0024510 k( 390) = ( 0.5000000 -0.3301887 0.3301887), wk = 0.0024510 k( 391) = ( 0.5000000 -0.3396226 0.3396226), wk = 0.0024510 k( 392) = ( 0.5000000 -0.3490566 0.3490566), wk = 0.0024510 k( 393) = ( 0.5000000 -0.3584906 0.3584906), wk = 0.0024510 k( 394) = ( 0.5000000 -0.3679245 0.3679245), wk = 0.0024510 k( 395) = ( 0.5000000 -0.3773585 0.3773585), wk = 0.0024510 k( 396) = ( 0.5000000 -0.3867925 0.3867925), wk = 0.0024510 k( 397) = ( 0.5000000 -0.3962264 0.3962264), wk = 0.0024510 k( 398) = ( 0.5000000 -0.4056604 0.4056604), wk = 0.0024510 k( 399) = ( 0.5000000 -0.4150943 0.4150943), wk = 0.0024510 k( 400) = ( 0.5000000 -0.4245283 0.4245283), wk = 0.0024510 k( 401) = ( 0.5000000 -0.4339623 0.4339623), wk = 0.0024510 k( 402) = ( 0.5000000 -0.4433962 0.4433962), wk = 0.0024510 k( 403) = ( 0.5000000 -0.4528302 0.4528302), wk = 0.0024510 k( 404) = ( 0.5000000 -0.4622641 0.4622641), wk = 0.0024510 k( 405) = ( 0.5000000 -0.4716981 0.4716981), wk = 0.0024510 k( 406) = ( 0.5000000 -0.4811321 0.4811321), wk = 0.0024510 k( 407) = ( 0.5000000 -0.4905660 0.4905660), wk = 0.0024510 k( 408) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024510 Dense grid: 31457 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 18925 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 138, 50) NL pseudopotentials 0.14 Mb ( 69, 130) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 878) G-vector shells 0.01 Mb ( 728) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 138, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Ni3Se2.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.4 secs Computing kpt #: 34 total cpu time spent up to now is 18.9 secs Computing kpt #: 35 total cpu time spent up to now is 19.4 secs Computing kpt #: 36 total cpu time spent up to now is 19.9 secs Computing kpt #: 37 total cpu time spent up to now is 20.4 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.4 secs Computing kpt #: 40 total cpu time spent up to now is 22.0 secs Computing kpt #: 41 total cpu time spent up to now is 22.4 secs Computing kpt #: 42 total cpu time spent up to now is 22.9 secs Computing kpt #: 43 total cpu time spent up to now is 23.4 secs Computing kpt #: 44 total cpu time spent up to now is 23.9 secs Computing kpt #: 45 total cpu time spent up to now is 24.4 secs Computing kpt #: 46 total cpu time spent up to now is 25.0 secs Computing kpt #: 47 total cpu time spent up to now is 25.5 secs Computing kpt #: 48 total cpu time spent up to now is 26.0 secs Computing kpt #: 49 total cpu time spent up to now is 26.6 secs Computing kpt #: 50 total cpu time spent up to now is 27.2 secs Computing kpt #: 51 total cpu time spent up to now is 27.7 secs Computing kpt #: 52 total cpu time spent up to now is 28.2 secs Computing kpt #: 53 total cpu time spent up to now is 28.8 secs Computing kpt #: 54 total cpu time spent up to now is 29.3 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.4 secs Computing kpt #: 57 total cpu time spent up to now is 31.0 secs Computing kpt #: 58 total cpu time spent up to now is 31.6 secs Computing kpt #: 59 total cpu time spent up to now is 32.1 secs Computing kpt #: 60 total cpu time spent up to now is 32.7 secs Computing kpt #: 61 total cpu time spent up to now is 33.2 secs Computing kpt #: 62 total cpu time spent up to now is 33.8 secs Computing kpt #: 63 total cpu time spent up to now is 34.8 secs Computing kpt #: 64 total cpu time spent up to now is 35.6 secs Computing kpt #: 65 total cpu time spent up to now is 36.1 secs Computing kpt #: 66 total cpu time spent up to now is 36.6 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.7 secs Computing kpt #: 69 total cpu time spent up to now is 38.2 secs Computing kpt #: 70 total cpu time spent up to now is 38.8 secs Computing kpt #: 71 total cpu time spent up to now is 39.3 secs Computing kpt #: 72 total cpu time spent up to now is 39.9 secs Computing kpt #: 73 total cpu time spent up to now is 40.5 secs Computing kpt #: 74 total cpu time spent up to now is 41.0 secs Computing kpt #: 75 total cpu time spent up to now is 41.6 secs Computing kpt #: 76 total cpu time spent up to now is 42.1 secs Computing kpt #: 77 total cpu time spent up to now is 42.6 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.7 secs Computing kpt #: 80 total cpu time spent up to now is 44.2 secs Computing kpt #: 81 total cpu time spent up to now is 44.6 secs Computing kpt #: 82 total cpu time spent up to now is 45.1 secs Computing kpt #: 83 total cpu time spent up to now is 45.6 secs Computing kpt #: 84 total cpu time spent up to now is 46.0 secs Computing kpt #: 85 total cpu time spent up to now is 46.5 secs Computing kpt #: 86 total cpu time spent up to now is 47.0 secs Computing kpt #: 87 total cpu time spent up to now is 47.4 secs Computing kpt #: 88 total cpu time spent up to now is 47.8 secs Computing kpt #: 89 total cpu time spent up to now is 48.3 secs Computing kpt #: 90 total cpu time spent up to now is 48.7 secs Computing kpt #: 91 total cpu time spent up to now is 49.1 secs Computing kpt #: 92 total cpu time spent up to now is 49.6 secs Computing kpt #: 93 total cpu time spent up to now is 50.0 secs Computing kpt #: 94 total cpu time spent up to now is 50.4 secs Computing kpt #: 95 total cpu time spent up to now is 50.8 secs Computing kpt #: 96 total cpu time spent up to now is 51.1 secs Computing kpt #: 97 total cpu time spent up to now is 51.5 secs Computing kpt #: 98 total cpu time spent up to now is 51.9 secs Computing kpt #: 99 total cpu time spent up to now is 52.4 secs Computing kpt #: 100 total cpu time spent up to now is 52.8 secs Computing kpt #: 101 total cpu time spent up to now is 53.2 secs Computing kpt #: 102 total cpu time spent up to now is 53.6 secs Computing kpt #: 103 total cpu time spent up to now is 53.9 secs Computing kpt #: 104 total cpu time spent up to now is 54.3 secs Computing kpt #: 105 total cpu time spent up to now is 54.7 secs Computing kpt #: 106 total cpu time spent up to now is 55.1 secs Computing kpt #: 107 total cpu time spent up to now is 55.5 secs Computing kpt #: 108 total cpu time spent up to now is 55.9 secs Computing kpt #: 109 total cpu time spent up to now is 56.3 secs Computing kpt #: 110 total cpu time spent up to now is 56.7 secs Computing kpt #: 111 total cpu time spent up to now is 57.1 secs Computing kpt #: 112 total cpu time spent up to now is 57.5 secs Computing kpt #: 113 total cpu time spent up to now is 57.9 secs Computing kpt #: 114 total cpu time spent up to now is 58.3 secs Computing kpt #: 115 total cpu time spent up to now is 58.7 secs Computing kpt #: 116 total cpu time spent up to now is 59.1 secs Computing kpt #: 117 total cpu time spent up to now is 59.6 secs Computing kpt #: 118 total cpu time spent up to now is 60.0 secs Computing kpt #: 119 total cpu time spent up to now is 60.5 secs Computing kpt #: 120 total cpu time spent up to now is 61.1 secs Computing kpt #: 121 total cpu time spent up to now is 61.7 secs Computing kpt #: 122 total cpu time spent up to now is 62.2 secs Computing kpt #: 123 total cpu time spent up to now is 62.7 secs Computing kpt #: 124 total cpu time spent up to now is 63.2 secs Computing kpt #: 125 total cpu time spent up to now is 63.6 secs Computing kpt #: 126 total cpu time spent up to now is 64.1 secs Computing kpt #: 127 total cpu time spent up to now is 64.6 secs Computing kpt #: 128 total cpu time spent up to now is 65.0 secs Computing kpt #: 129 total cpu time spent up to now is 65.5 secs Computing kpt #: 130 total cpu time spent up to now is 66.0 secs Computing kpt #: 131 total cpu time spent up to now is 66.6 secs Computing kpt #: 132 total cpu time spent up to now is 67.1 secs Computing kpt #: 133 total cpu time spent up to now is 67.6 secs Computing kpt #: 134 total cpu time spent up to now is 68.1 secs Computing kpt #: 135 total cpu time spent up to now is 68.6 secs Computing kpt #: 136 total cpu time spent up to now is 69.2 secs Computing kpt #: 137 total cpu time spent up to now is 69.7 secs Computing kpt #: 138 total cpu time spent up to now is 70.3 secs Computing kpt #: 139 total cpu time spent up to now is 70.9 secs Computing kpt #: 140 total cpu time spent up to now is 71.4 secs Computing kpt #: 141 total cpu time spent up to now is 71.9 secs Computing kpt #: 142 total cpu time spent up to now is 72.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.0 secs Computing kpt #: 144 total cpu time spent up to now is 73.5 secs Computing kpt #: 145 total cpu time spent up to now is 74.1 secs Computing kpt #: 146 total cpu time spent up to now is 74.6 secs Computing kpt #: 147 total cpu time spent up to now is 75.2 secs Computing kpt #: 148 total cpu time spent up to now is 75.9 secs Computing kpt #: 149 total cpu time spent up to now is 76.5 secs Computing kpt #: 150 total cpu time spent up to now is 77.0 secs Computing kpt #: 151 total cpu time spent up to now is 77.7 secs Computing kpt #: 152 total cpu time spent up to now is 78.5 secs Computing kpt #: 153 total cpu time spent up to now is 79.2 secs Computing kpt #: 154 total cpu time spent up to now is 79.9 secs Computing kpt #: 155 total cpu time spent up to now is 80.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.3 secs Computing kpt #: 157 total cpu time spent up to now is 83.5 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 159 total cpu time spent up to now is 85.7 secs Computing kpt #: 160 total cpu time spent up to now is 86.6 secs Computing kpt #: 161 total cpu time spent up to now is 87.3 secs Computing kpt #: 162 total cpu time spent up to now is 88.0 secs Computing kpt #: 163 total cpu time spent up to now is 88.6 secs Computing kpt #: 164 total cpu time spent up to now is 89.1 secs Computing kpt #: 165 total cpu time spent up to now is 89.6 secs Computing kpt #: 166 total cpu time spent up to now is 90.2 secs Computing kpt #: 167 total cpu time spent up to now is 90.7 secs Computing kpt #: 168 total cpu time spent up to now is 91.2 secs Computing kpt #: 169 total cpu time spent up to now is 91.6 secs Computing kpt #: 170 total cpu time spent up to now is 92.1 secs Computing kpt #: 171 total cpu time spent up to now is 92.6 secs Computing kpt #: 172 total cpu time spent up to now is 93.1 secs Computing kpt #: 173 total cpu time spent up to now is 93.6 secs Computing kpt #: 174 total cpu time spent up to now is 94.1 secs Computing kpt #: 175 total cpu time spent up to now is 94.7 secs Computing kpt #: 176 total cpu time spent up to now is 95.2 secs Computing kpt #: 177 total cpu time spent up to now is 95.6 secs Computing kpt #: 178 total cpu time spent up to now is 96.1 secs Computing kpt #: 179 total cpu time spent up to now is 96.6 secs Computing kpt #: 180 total cpu time spent up to now is 97.0 secs Computing kpt #: 181 total cpu time spent up to now is 97.4 secs Computing kpt #: 182 total cpu time spent up to now is 97.8 secs Computing kpt #: 183 total cpu time spent up to now is 98.3 secs Computing kpt #: 184 total cpu time spent up to now is 98.8 secs Computing kpt #: 185 total cpu time spent up to now is 99.2 secs Computing kpt #: 186 total cpu time spent up to now is 99.6 secs Computing kpt #: 187 total cpu time spent up to now is 100.1 secs Computing kpt #: 188 total cpu time spent up to now is 100.6 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.4 secs Computing kpt #: 191 total cpu time spent up to now is 101.9 secs Computing kpt #: 192 total cpu time spent up to now is 102.4 secs Computing kpt #: 193 total cpu time spent up to now is 102.8 secs Computing kpt #: 194 total cpu time spent up to now is 103.2 secs Computing kpt #: 195 total cpu time spent up to now is 103.7 secs Computing kpt #: 196 total cpu time spent up to now is 104.2 secs Computing kpt #: 197 total cpu time spent up to now is 104.6 secs Computing kpt #: 198 total cpu time spent up to now is 105.1 secs Computing kpt #: 199 total cpu time spent up to now is 105.6 secs Computing kpt #: 200 total cpu time spent up to now is 106.0 secs Computing kpt #: 201 total cpu time spent up to now is 106.5 secs Computing kpt #: 202 total cpu time spent up to now is 107.0 secs Computing kpt #: 203 total cpu time spent up to now is 107.4 secs Computing kpt #: 204 total cpu time spent up to now is 107.9 secs Computing kpt #: 205 total cpu time spent up to now is 108.4 secs Computing kpt #: 206 total cpu time spent up to now is 108.8 secs Computing kpt #: 207 total cpu time spent up to now is 109.3 secs Computing kpt #: 208 total cpu time spent up to now is 109.7 secs Computing kpt #: 209 total cpu time spent up to now is 110.2 secs Computing kpt #: 210 total cpu time spent up to now is 110.7 secs Computing kpt #: 211 total cpu time spent up to now is 111.2 secs Computing kpt #: 212 total cpu time spent up to now is 111.7 secs Computing kpt #: 213 total cpu time spent up to now is 112.2 secs Computing kpt #: 214 total cpu time spent up to now is 112.6 secs Computing kpt #: 215 total cpu time spent up to now is 113.1 secs Computing kpt #: 216 total cpu time spent up to now is 113.5 secs Computing kpt #: 217 total cpu time spent up to now is 114.0 secs Computing kpt #: 218 total cpu time spent up to now is 114.5 secs Computing kpt #: 219 total cpu time spent up to now is 115.0 secs Computing kpt #: 220 total cpu time spent up to now is 115.4 secs Computing kpt #: 221 total cpu time spent up to now is 115.9 secs Computing kpt #: 222 total cpu time spent up to now is 116.4 secs Computing kpt #: 223 total cpu time spent up to now is 116.9 secs Computing kpt #: 224 total cpu time spent up to now is 117.4 secs Computing kpt #: 225 total cpu time spent up to now is 117.8 secs Computing kpt #: 226 total cpu time spent up to now is 118.3 secs Computing kpt #: 227 total cpu time spent up to now is 118.8 secs Computing kpt #: 228 total cpu time spent up to now is 119.2 secs Computing kpt #: 229 total cpu time spent up to now is 119.7 secs Computing kpt #: 230 total cpu time spent up to now is 120.2 secs Computing kpt #: 231 total cpu time spent up to now is 120.6 secs Computing kpt #: 232 total cpu time spent up to now is 121.1 secs Computing kpt #: 233 total cpu time spent up to now is 121.5 secs Computing kpt #: 234 total cpu time spent up to now is 122.0 secs Computing kpt #: 235 total cpu time spent up to now is 122.4 secs Computing kpt #: 236 total cpu time spent up to now is 122.8 secs Computing kpt #: 237 total cpu time spent up to now is 123.2 secs Computing kpt #: 238 total cpu time spent up to now is 123.7 secs Computing kpt #: 239 total cpu time spent up to now is 124.2 secs Computing kpt #: 240 total cpu time spent up to now is 124.6 secs Computing kpt #: 241 total cpu time spent up to now is 125.0 secs Computing kpt #: 242 total cpu time spent up to now is 125.4 secs Computing kpt #: 243 total cpu time spent up to now is 125.8 secs Computing kpt #: 244 total cpu time spent up to now is 126.2 secs Computing kpt #: 245 total cpu time spent up to now is 126.6 secs Computing kpt #: 246 total cpu time spent up to now is 127.0 secs Computing kpt #: 247 total cpu time spent up to now is 127.4 secs Computing kpt #: 248 total cpu time spent up to now is 127.8 secs Computing kpt #: 249 total cpu time spent up to now is 128.2 secs Computing kpt #: 250 total cpu time spent up to now is 128.6 secs Computing kpt #: 251 total cpu time spent up to now is 129.0 secs Computing kpt #: 252 total cpu time spent up to now is 129.4 secs Computing kpt #: 253 total cpu time spent up to now is 129.8 secs Computing kpt #: 254 total cpu time spent up to now is 130.2 secs Computing kpt #: 255 total cpu time spent up to now is 130.6 secs Computing kpt #: 256 total cpu time spent up to now is 131.0 secs Computing kpt #: 257 total cpu time spent up to now is 131.3 secs Computing kpt #: 258 total cpu time spent up to now is 131.7 secs Computing kpt #: 259 total cpu time spent up to now is 132.1 secs Computing kpt #: 260 total cpu time spent up to now is 132.5 secs Computing kpt #: 261 total cpu time spent up to now is 132.9 secs Computing kpt #: 262 total cpu time spent up to now is 133.3 secs Computing kpt #: 263 total cpu time spent up to now is 133.7 secs Computing kpt #: 264 total cpu time spent up to now is 134.1 secs Computing kpt #: 265 total cpu time spent up to now is 134.6 secs Computing kpt #: 266 total cpu time spent up to now is 134.9 secs Computing kpt #: 267 total cpu time spent up to now is 135.3 secs Computing kpt #: 268 total cpu time spent up to now is 135.7 secs Computing kpt #: 269 total cpu time spent up to now is 136.1 secs Computing kpt #: 270 total cpu time spent up to now is 136.5 secs Computing kpt #: 271 total cpu time spent up to now is 136.9 secs Computing kpt #: 272 total cpu time spent up to now is 137.4 secs Computing kpt #: 273 total cpu time spent up to now is 137.8 secs Computing kpt #: 274 total cpu time spent up to now is 138.2 secs Computing kpt #: 275 total cpu time spent up to now is 138.6 secs Computing kpt #: 276 total cpu time spent up to now is 139.0 secs Computing kpt #: 277 total cpu time spent up to now is 139.5 secs Computing kpt #: 278 total cpu time spent up to now is 139.9 secs Computing kpt #: 279 total cpu time spent up to now is 140.4 secs Computing kpt #: 280 total cpu time spent up to now is 140.8 secs Computing kpt #: 281 total cpu time spent up to now is 141.3 secs Computing kpt #: 282 total cpu time spent up to now is 141.7 secs Computing kpt #: 283 total cpu time spent up to now is 142.2 secs Computing kpt #: 284 total cpu time spent up to now is 142.6 secs Computing kpt #: 285 total cpu time spent up to now is 143.2 secs Computing kpt #: 286 total cpu time spent up to now is 143.6 secs Computing kpt #: 287 total cpu time spent up to now is 144.2 secs Computing kpt #: 288 total cpu time spent up to now is 144.7 secs Computing kpt #: 289 total cpu time spent up to now is 145.3 secs Computing kpt #: 290 total cpu time spent up to now is 145.8 secs Computing kpt #: 291 total cpu time spent up to now is 146.3 secs Computing kpt #: 292 total cpu time spent up to now is 146.8 secs Computing kpt #: 293 total cpu time spent up to now is 147.4 secs Computing kpt #: 294 total cpu time spent up to now is 147.9 secs Computing kpt #: 295 total cpu time spent up to now is 148.5 secs Computing kpt #: 296 total cpu time spent up to now is 149.0 secs Computing kpt #: 297 total cpu time spent up to now is 149.5 secs Computing kpt #: 298 total cpu time spent up to now is 150.1 secs Computing kpt #: 299 total cpu time spent up to now is 150.6 secs Computing kpt #: 300 total cpu time spent up to now is 151.1 secs Computing kpt #: 301 total cpu time spent up to now is 151.6 secs Computing kpt #: 302 total cpu time spent up to now is 152.2 secs Computing kpt #: 303 total cpu time spent up to now is 152.7 secs Computing kpt #: 304 total cpu time spent up to now is 153.3 secs Computing kpt #: 305 total cpu time spent up to now is 153.8 secs Computing kpt #: 306 total cpu time spent up to now is 154.4 secs Computing kpt #: 307 total cpu time spent up to now is 155.0 secs Computing kpt #: 308 total cpu time spent up to now is 155.6 secs Computing kpt #: 309 total cpu time spent up to now is 156.2 secs Computing kpt #: 310 total cpu time spent up to now is 156.7 secs Computing kpt #: 311 total cpu time spent up to now is 157.2 secs Computing kpt #: 312 total cpu time spent up to now is 157.7 secs Computing kpt #: 313 total cpu time spent up to now is 158.3 secs Computing kpt #: 314 total cpu time spent up to now is 158.8 secs Computing kpt #: 315 total cpu time spent up to now is 159.2 secs Computing kpt #: 316 total cpu time spent up to now is 159.7 secs Computing kpt #: 317 total cpu time spent up to now is 160.2 secs Computing kpt #: 318 total cpu time spent up to now is 160.7 secs Computing kpt #: 319 total cpu time spent up to now is 161.2 secs Computing kpt #: 320 total cpu time spent up to now is 161.6 secs Computing kpt #: 321 total cpu time spent up to now is 162.1 secs Computing kpt #: 322 total cpu time spent up to now is 162.6 secs Computing kpt #: 323 total cpu time spent up to now is 163.0 secs Computing kpt #: 324 total cpu time spent up to now is 163.4 secs Computing kpt #: 325 total cpu time spent up to now is 163.9 secs Computing kpt #: 326 total cpu time spent up to now is 164.4 secs Computing kpt #: 327 total cpu time spent up to now is 164.8 secs Computing kpt #: 328 total cpu time spent up to now is 165.2 secs Computing kpt #: 329 total cpu time spent up to now is 165.7 secs Computing kpt #: 330 total cpu time spent up to now is 166.2 secs Computing kpt #: 331 total cpu time spent up to now is 166.6 secs Computing kpt #: 332 total cpu time spent up to now is 167.1 secs Computing kpt #: 333 total cpu time spent up to now is 167.6 secs Computing kpt #: 334 total cpu time spent up to now is 168.0 secs Computing kpt #: 335 total cpu time spent up to now is 168.6 secs Computing kpt #: 336 total cpu time spent up to now is 169.1 secs Computing kpt #: 337 total cpu time spent up to now is 169.6 secs Computing kpt #: 338 total cpu time spent up to now is 170.1 secs Computing kpt #: 339 total cpu time spent up to now is 170.6 secs Computing kpt #: 340 total cpu time spent up to now is 171.1 secs Computing kpt #: 341 total cpu time spent up to now is 171.6 secs Computing kpt #: 342 total cpu time spent up to now is 172.1 secs Computing kpt #: 343 total cpu time spent up to now is 172.6 secs Computing kpt #: 344 total cpu time spent up to now is 173.1 secs Computing kpt #: 345 total cpu time spent up to now is 173.6 secs Computing kpt #: 346 total cpu time spent up to now is 174.0 secs Computing kpt #: 347 total cpu time spent up to now is 174.5 secs Computing kpt #: 348 total cpu time spent up to now is 175.0 secs Computing kpt #: 349 total cpu time spent up to now is 175.4 secs Computing kpt #: 350 total cpu time spent up to now is 175.9 secs Computing kpt #: 351 total cpu time spent up to now is 176.3 secs Computing kpt #: 352 total cpu time spent up to now is 176.8 secs Computing kpt #: 353 total cpu time spent up to now is 177.2 secs Computing kpt #: 354 total cpu time spent up to now is 177.6 secs Computing kpt #: 355 total cpu time spent up to now is 178.1 secs Computing kpt #: 356 total cpu time spent up to now is 178.5 secs Computing kpt #: 357 total cpu time spent up to now is 179.0 secs Computing kpt #: 358 total cpu time spent up to now is 179.4 secs Computing kpt #: 359 total cpu time spent up to now is 179.8 secs Computing kpt #: 360 total cpu time spent up to now is 180.3 secs Computing kpt #: 361 total cpu time spent up to now is 180.8 secs Computing kpt #: 362 total cpu time spent up to now is 181.2 secs Computing kpt #: 363 total cpu time spent up to now is 181.7 secs Computing kpt #: 364 total cpu time spent up to now is 182.2 secs Computing kpt #: 365 total cpu time spent up to now is 182.7 secs Computing kpt #: 366 total cpu time spent up to now is 183.2 secs Computing kpt #: 367 total cpu time spent up to now is 183.7 secs Computing kpt #: 368 total cpu time spent up to now is 184.2 secs Computing kpt #: 369 total cpu time spent up to now is 184.7 secs Computing kpt #: 370 total cpu time spent up to now is 185.2 secs Computing kpt #: 371 total cpu time spent up to now is 185.7 secs Computing kpt #: 372 total cpu time spent up to now is 186.2 secs Computing kpt #: 373 total cpu time spent up to now is 186.7 secs Computing kpt #: 374 total cpu time spent up to now is 187.2 secs Computing kpt #: 375 total cpu time spent up to now is 187.6 secs Computing kpt #: 376 total cpu time spent up to now is 188.1 secs Computing kpt #: 377 total cpu time spent up to now is 188.6 secs Computing kpt #: 378 total cpu time spent up to now is 189.0 secs Computing kpt #: 379 total cpu time spent up to now is 189.5 secs Computing kpt #: 380 total cpu time spent up to now is 189.9 secs Computing kpt #: 381 total cpu time spent up to now is 190.4 secs Computing kpt #: 382 total cpu time spent up to now is 190.8 secs Computing kpt #: 383 total cpu time spent up to now is 191.3 secs Computing kpt #: 384 total cpu time spent up to now is 191.8 secs Computing kpt #: 385 total cpu time spent up to now is 192.2 secs Computing kpt #: 386 total cpu time spent up to now is 192.6 secs Computing kpt #: 387 total cpu time spent up to now is 193.1 secs Computing kpt #: 388 total cpu time spent up to now is 193.6 secs Computing kpt #: 389 total cpu time spent up to now is 194.0 secs Computing kpt #: 390 total cpu time spent up to now is 194.5 secs Computing kpt #: 391 total cpu time spent up to now is 195.0 secs Computing kpt #: 392 total cpu time spent up to now is 195.4 secs Computing kpt #: 393 total cpu time spent up to now is 195.9 secs Computing kpt #: 394 total cpu time spent up to now is 196.4 secs Computing kpt #: 395 total cpu time spent up to now is 196.9 secs Computing kpt #: 396 total cpu time spent up to now is 197.4 secs Computing kpt #: 397 total cpu time spent up to now is 197.9 secs Computing kpt #: 398 total cpu time spent up to now is 198.4 secs Computing kpt #: 399 total cpu time spent up to now is 199.0 secs Computing kpt #: 400 total cpu time spent up to now is 199.5 secs Computing kpt #: 401 total cpu time spent up to now is 200.2 secs Computing kpt #: 402 total cpu time spent up to now is 200.7 secs Computing kpt #: 403 total cpu time spent up to now is 201.3 secs Computing kpt #: 404 total cpu time spent up to now is 201.9 secs Computing kpt #: 405 total cpu time spent up to now is 202.4 secs Computing kpt #: 406 total cpu time spent up to now is 202.9 secs Computing kpt #: 407 total cpu time spent up to now is 203.5 secs Computing kpt #: 408 total cpu time spent up to now is 204.0 secs ethr = 2.38E-08, avg # of iterations = 20.1 total cpu time spent up to now is 204.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2355 PWs) bands (ev): -4.9687 -4.9687 -3.1776 -3.1776 4.7821 4.7821 4.9799 4.9799 5.0291 5.0291 6.0277 6.0277 6.1521 6.1521 6.4402 6.4402 7.5091 7.5091 8.3491 8.3491 8.3757 8.3757 8.4748 8.4748 8.5033 8.5033 8.5439 8.5439 8.8746 8.8746 8.9199 8.9199 9.3450 9.3450 9.5123 9.5123 9.5747 9.5747 9.9012 9.9012 11.4799 11.4799 11.5417 11.5417 11.9949 11.9949 12.0770 12.0770 12.5789 12.5789 k = 0.0078-0.0078 0.0078 ( 2361 PWs) bands (ev): -4.9678 -4.9678 -3.1782 -3.1781 4.7774 4.7860 4.9749 4.9840 5.0254 5.0333 6.0202 6.0323 6.1445 6.1569 6.4369 6.4428 7.5089 7.5099 8.3424 8.3493 8.3723 8.3815 8.4686 8.4759 8.4966 8.5063 8.5437 8.5548 8.8697 8.8808 8.9171 8.9244 9.3439 9.3461 9.5091 9.5139 9.5716 9.5758 9.9021 9.9033 11.4710 11.4828 11.5329 11.5444 11.9827 11.9990 12.0728 12.0890 12.5661 12.6044 k = 0.0155-0.0156 0.0155 ( 2363 PWs) bands (ev): -4.9652 -4.9652 -3.1799 -3.1796 4.7720 4.7891 4.9685 4.9874 5.0224 5.0385 6.0099 6.0340 6.1342 6.1590 6.4332 6.4451 7.5091 7.5111 8.3302 8.3455 8.3721 8.3849 8.4594 8.4709 8.4872 8.5131 8.5522 8.5705 8.8664 8.8877 8.9164 8.9302 9.3430 9.3474 9.5045 9.5139 9.5670 9.5750 9.9061 9.9085 11.4563 11.4789 11.5194 11.5413 11.9646 11.9919 12.0800 12.1067 12.5668 12.6086 k = 0.0233-0.0234 0.0233 ( 2363 PWs) bands (ev): -4.9608 -4.9608 -3.1827 -3.1821 4.7656 4.7910 4.9605 4.9898 5.0209 5.0453 5.9963 6.0321 6.1217 6.1589 6.4293 6.4470 7.5098 7.5127 8.3155 8.3396 8.3731 8.3826 8.4442 8.4642 8.4843 8.5227 8.5638 8.5875 8.8652 8.8943 8.9189 8.9370 9.3421 9.3488 9.4985 9.5118 9.5612 9.5725 9.9131 9.9166 11.4353 11.4649 11.5051 11.5335 11.9413 11.9743 12.0991 12.1305 12.5806 12.6211 k = 0.0310-0.0313 0.0310 ( 2370 PWs) bands (ev): -4.9547 -4.9547 -3.1865 -3.1857 4.7578 4.7915 4.9504 4.9894 5.0230 5.0541 5.9791 6.0254 6.1081 6.1570 6.4250 6.4485 7.5109 7.5148 8.2997 8.3323 8.3742 8.3749 8.4252 8.4551 8.4911 8.5330 8.5759 8.6045 8.8662 8.8998 8.9250 8.9444 9.3413 9.3500 9.4911 9.5073 9.5549 9.5687 9.9226 9.9272 11.4083 11.4392 11.4930 11.5223 11.9134 11.9491 12.1281 12.1611 12.6065 12.6451 k = 0.0388-0.0391 0.0388 ( 2370 PWs) bands (ev): -4.9468 -4.9468 -3.1912 -3.1903 4.7486 4.7903 4.9381 4.9850 5.0304 5.0654 5.9580 6.0120 6.0955 6.1538 6.4205 6.4495 7.5127 7.5175 8.2838 8.3240 8.3638 8.3751 8.4048 8.4458 8.5029 8.5430 8.5877 8.6213 8.8695 8.9042 8.9344 8.9524 9.3403 9.3509 9.4823 9.5001 9.5488 9.5640 9.9344 9.9403 11.3758 11.4047 11.4815 11.5085 11.8819 11.9186 12.1660 12.1989 12.6430 12.6796 k = 0.0465-0.0469 0.0465 ( 2372 PWs) bands (ev): -4.9372 -4.9372 -3.1970 -3.1959 4.7375 4.7868 4.9238 4.9772 5.0430 5.0796 5.9326 5.9906 6.0852 6.1497 6.4159 6.4503 7.5149 7.5206 8.2681 8.3148 8.3510 8.3756 8.3842 8.4373 8.5168 8.5524 8.5988 8.6378 8.8750 8.9084 8.9461 8.9606 9.3390 9.3515 9.4723 9.4902 9.5431 9.5591 9.9481 9.9553 11.3387 11.3645 11.4686 11.4927 11.8476 11.8840 12.2122 12.2442 12.6887 12.7234 k = 0.0543-0.0547 0.0543 ( 2374 PWs) bands (ev): -4.9259 -4.9259 -3.2037 -3.2024 4.7243 4.7811 4.9073 4.9670 5.0600 5.0968 5.9025 5.9612 6.0773 6.1450 6.4112 6.4507 7.5175 7.5240 8.2528 8.3049 8.3375 8.3634 8.3762 8.4298 8.5317 8.5610 8.6093 8.6540 8.8826 8.9126 8.9590 8.9690 9.3373 9.3514 9.4610 9.4781 9.5376 9.5544 9.9634 9.9721 11.2981 11.3205 11.4539 11.4749 11.8112 11.8463 12.2661 12.2972 12.7424 12.7756 k = 0.0620-0.0625 0.0620 ( 2372 PWs) bands (ev): -4.9129 -4.9129 -3.2113 -3.2098 4.7091 4.7730 4.8891 4.9548 5.0810 5.1172 5.8677 5.9249 6.0709 6.1401 6.4064 6.4509 7.5206 7.5280 8.2381 8.2949 8.3239 8.3435 8.3763 8.4234 8.5467 8.5689 8.6192 8.6699 8.8921 8.9170 8.9727 8.9776 9.3350 9.3505 9.4485 9.4643 9.5322 9.5503 9.9800 9.9905 11.2550 11.2740 11.4371 11.4550 11.7733 11.8061 12.3276 12.3577 12.8030 12.8353 k = 0.0698-0.0703 0.0698 ( 2381 PWs) bands (ev): -4.8983 -4.8983 -3.2197 -3.2181 4.6918 4.7626 4.8691 4.9408 5.1058 5.1407 5.8282 5.8828 6.0652 6.1350 6.4017 6.4507 7.5241 7.5322 8.2240 8.2846 8.3104 8.3244 8.3761 8.4180 8.5611 8.5762 8.6288 8.6855 8.9031 8.9215 8.9845 8.9885 9.3318 9.3484 9.4350 9.4491 9.5266 9.5467 9.9977 10.0103 11.2102 11.2260 11.4180 11.4325 11.7343 11.7637 12.3962 12.4256 12.8700 12.9019 k = 0.0776-0.0781 0.0776 ( 2381 PWs) bands (ev): -4.8820 -4.8820 -3.2289 -3.2272 4.6725 4.7498 4.8477 4.9253 5.1339 5.1674 5.7843 5.8358 6.0598 6.1298 6.3970 6.4503 7.5281 7.5369 8.2108 8.2745 8.2974 8.3064 8.3758 8.4136 8.5746 8.5832 8.6386 8.7010 8.9149 8.9262 8.9932 9.0028 9.3278 9.3452 9.4208 9.4333 9.5213 9.5438 10.0164 10.0312 11.1646 11.1773 11.3968 11.4072 11.6945 11.7198 12.4718 12.5007 12.9429 12.9748 k = 0.0853-0.0859 0.0853 ( 2381 PWs) bands (ev): -4.8642 -4.8641 -3.2389 -3.2370 4.6514 4.7349 4.8250 4.9084 5.1651 5.1969 5.7361 5.7845 6.0543 6.1246 6.3924 6.4496 7.5325 7.5419 8.1985 8.2645 8.2848 8.2894 8.3755 8.4100 8.5853 8.5916 8.6488 8.7161 8.9258 8.9322 9.0013 9.0174 9.3226 9.3403 9.4063 9.4172 9.5161 9.5414 10.0357 10.0530 11.1186 11.1284 11.3732 11.3786 11.6540 11.6748 12.5541 12.5828 13.0213 13.0536 k = 0.0931-0.0938 0.0931 ( 2386 PWs) bands (ev): -4.8448 -4.8447 -3.2495 -3.2475 4.6285 4.7179 4.8015 4.8902 5.1991 5.2292 5.6840 5.7293 6.0487 6.1192 6.3878 6.4486 7.5373 7.5473 8.1871 8.2548 8.2726 8.2737 8.3752 8.4071 8.5924 8.6019 8.6599 8.7310 8.9319 8.9428 9.0093 9.0317 9.3161 9.3335 9.3917 9.4012 9.5113 9.5395 10.0557 10.0755 11.0726 11.0796 11.3460 11.3474 11.6126 11.6302 12.6429 12.6716 13.1050 13.1378 k = 0.1008-0.1016 0.1008 ( 2384 PWs) bands (ev): -4.8238 -4.8237 -3.2607 -3.2586 4.6043 4.6989 4.7772 4.8709 5.2354 5.2638 5.6286 5.6710 6.0429 6.1136 6.3831 6.4473 7.5425 7.5531 8.1768 8.2455 8.2592 8.2615 8.3749 8.4049 8.5983 8.6123 8.6719 8.7456 8.9357 8.9550 9.0173 9.0454 9.3081 9.3246 9.3776 9.3859 9.5070 9.5382 10.0760 10.0986 11.0270 11.0313 11.3102 11.3181 11.5693 11.5876 12.7379 12.7669 13.1935 13.2272 k = 0.1086-0.1094 0.1086 ( 2379 PWs) bands (ev): -4.8014 -4.8013 -3.2724 -3.2703 4.5787 4.6779 4.7526 4.8505 5.2737 5.3005 5.5703 5.6101 6.0368 6.1078 6.3784 6.4456 7.5482 7.5592 8.1674 8.2363 8.2464 8.2507 8.3748 8.4033 8.6038 8.6218 8.6848 8.7599 8.9388 8.9665 9.0257 9.0582 9.2984 9.3133 9.3641 9.3718 9.5033 9.5373 10.0965 10.1219 10.9817 10.9836 11.2701 11.2858 11.5242 11.5482 12.8388 12.8683 13.2867 13.3215 k = 0.1163-0.1172 0.1163 ( 2375 PWs) bands (ev): -4.7776 -4.7774 -3.2847 -3.2824 4.5520 4.6549 4.7280 4.8291 5.3133 5.3384 5.5102 5.5476 6.0304 6.1018 6.3737 6.4435 7.5542 7.5656 8.1591 8.2269 8.2355 8.2406 8.3748 8.4023 8.6092 8.6307 8.6984 8.7738 8.9411 8.9765 9.0344 9.0700 9.2869 9.3000 9.3512 9.3595 9.5001 9.5369 10.1170 10.1453 10.9362 10.9373 11.2261 11.2498 11.4791 11.5115 12.9454 12.9757 13.3843 13.4202 k = 0.1241-0.1250 0.1241 ( 2370 PWs) bands (ev): -4.7524 -4.7521 -3.2973 -3.2950 4.5245 4.6301 4.7034 4.8069 5.3523 5.3743 5.4515 5.4853 6.0237 6.0953 6.3688 6.4411 7.5605 7.5723 8.1516 8.2170 8.2264 8.2314 8.3749 8.4018 8.6147 8.6393 8.7124 8.7873 8.9429 8.9847 9.0437 9.0804 9.2734 9.2852 9.3389 9.3486 9.4974 9.5369 10.1371 10.1683 10.8896 10.8930 11.1786 11.2095 11.4357 11.4771 13.0575 13.0887 13.4858 13.5232 k = 0.1318-0.1328 0.1318 ( 2364 PWs) bands (ev): -4.7258 -4.7256 -3.3102 -3.3078 4.4962 4.6036 4.6790 4.7839 5.3678 5.3765 5.4326 5.4403 6.0167 6.0885 6.3638 6.4382 7.5672 7.5793 8.1450 8.2074 8.2183 8.2234 8.3750 8.4017 8.6203 8.6476 8.7266 8.8003 8.9441 8.9908 9.0535 9.0894 9.2582 9.2697 9.3274 9.3386 9.4953 9.5373 10.1566 10.1907 10.8432 10.8491 11.1279 11.1645 11.3951 11.4447 13.1746 13.2070 13.5910 13.6300 k = 0.1396-0.1406 0.1396 ( 2358 PWs) bands (ev): -4.6980 -4.6977 -3.3234 -3.3210 4.4673 4.5756 4.6549 4.7601 5.3083 5.3343 5.4559 5.4723 6.0094 6.0813 6.3587 6.4349 7.5743 7.5867 8.1391 8.1982 8.2102 8.2170 8.3752 8.4021 8.6260 8.6560 8.7407 8.8127 8.9447 8.9949 9.0636 9.0968 9.2418 9.2542 9.3167 9.3290 9.4936 9.5379 10.1750 10.2120 10.7969 10.8055 11.0749 11.1151 11.3583 11.4144 13.2966 13.3303 13.6991 13.7401 k = 0.1474-0.1484 0.1473 ( 2359 PWs) bands (ev): -4.6690 -4.6686 -3.3368 -3.3343 4.4379 4.5462 4.6312 4.7355 5.2431 5.2701 5.4971 5.5146 6.0017 6.0735 6.3533 6.4311 7.5817 7.5942 8.1336 8.1899 8.2021 8.2120 8.3752 8.4027 8.6319 8.6644 8.7544 8.8243 8.9446 8.9972 9.0734 9.1023 9.2247 9.2391 9.3067 9.3197 9.4924 9.5387 10.1919 10.2317 10.7501 10.7617 11.0202 11.0618 11.3257 11.3865 13.4231 13.4582 13.8093 13.8527 k = 0.1551-0.1563 0.1551 ( 2355 PWs) bands (ev): -4.6389 -4.6384 -3.3503 -3.3478 4.4083 4.5157 4.6077 4.7102 5.1771 5.2035 5.5409 5.5581 5.9939 6.0652 6.3478 6.4269 7.5894 7.6021 8.1286 8.1826 8.1941 8.2082 8.3751 8.4038 8.6380 8.6730 8.7678 8.8351 8.9440 8.9978 9.0827 9.1058 9.2076 9.2251 9.2971 9.3106 9.4916 9.5395 10.2068 10.2493 10.7025 10.7175 10.9648 11.0056 11.2976 11.3611 13.5536 13.5904 13.9205 13.9663 k = 0.1629-0.1641 0.1629 ( 2354 PWs) bands (ev): -4.6077 -4.6071 -3.3638 -3.3613 4.3784 4.4841 4.5845 4.6840 5.1114 5.1371 5.5852 5.6018 5.9858 6.0564 6.3421 6.4221 7.5974 7.6103 8.1236 8.1763 8.1864 8.2055 8.3749 8.4051 8.6443 8.6818 8.7803 8.8449 8.9428 8.9969 9.0905 9.1077 9.1911 9.2128 9.2881 9.3018 9.4909 9.5402 10.2190 10.2641 10.6534 10.6725 10.9095 10.9477 11.2739 11.3385 13.6879 13.7263 14.0312 14.0777 k = 0.1706-0.1719 0.1706 ( 2354 PWs) bands (ev): -4.5755 -4.5749 -3.3774 -3.3748 4.3483 4.4517 4.5616 4.6569 5.0468 5.0720 5.6289 5.6450 5.9776 6.0470 6.3362 6.4168 7.6058 7.6187 8.1185 8.1710 8.1793 8.2036 8.3744 8.4065 8.6508 8.6908 8.7919 8.8533 8.9409 8.9947 9.0950 9.1094 9.1756 9.2026 9.2794 9.2931 9.4905 9.5407 10.2277 10.2756 10.6023 10.6263 10.8552 10.8894 11.2549 11.3192 13.8251 13.8653 14.1398 14.1841 k = 0.1784-0.1797 0.1784 ( 2356 PWs) bands (ev): -4.5424 -4.5417 -3.3908 -3.3883 4.3182 4.4184 4.5390 4.6287 4.9838 5.0089 5.6714 5.6870 5.9697 6.0370 6.3301 6.4111 7.6144 7.6274 8.1130 8.1658 8.1735 8.2026 8.3737 8.4080 8.6575 8.6999 8.8023 8.8602 8.9383 8.9913 9.0944 9.1124 9.1620 9.1949 9.2712 9.2847 9.4901 9.5408 10.2322 10.2832 10.5489 10.5786 10.8026 10.8322 11.2406 11.3033 13.9646 14.0064 14.2457 14.2872 k = 0.1861-0.1875 0.1861 ( 2352 PWs) bands (ev): -4.5084 -4.5076 -3.4041 -3.4016 4.2879 4.3842 4.5167 4.5993 4.9230 4.9489 5.7118 5.7274 5.9623 6.0265 6.3239 6.4048 7.6236 7.6365 8.1071 8.1597 8.1703 8.2025 8.3728 8.4095 8.6643 8.7092 8.8111 8.8653 8.9351 8.9867 9.0902 9.1146 9.1522 9.1895 9.2635 9.2768 9.4896 9.5404 10.2314 10.2859 10.4933 10.5296 10.7522 10.7770 11.2311 11.2912 14.1052 14.1480 14.3504 14.3913 k = 0.1939-0.1953 0.1939 ( 2352 PWs) bands (ev): -4.4738 -4.4729 -3.4173 -3.4147 4.2575 4.3490 4.4946 4.5685 4.8648 4.8926 5.7489 5.7655 5.9563 6.0155 6.3177 6.3981 7.6331 7.6460 8.1008 8.1527 8.1693 8.2031 8.3718 8.4108 8.6711 8.7185 8.8181 8.8682 8.9311 8.9811 9.0848 9.1127 9.1481 9.1859 9.2563 9.2692 9.4889 9.5393 10.2241 10.2829 10.4363 10.4799 10.7043 10.7249 11.2263 11.2828 14.2448 14.2875 14.4570 14.5000 k = 0.2016-0.2031 0.2016 ( 2352 PWs) bands (ev): -4.4385 -4.4375 -3.4301 -3.4276 4.2269 4.3129 4.4729 4.5364 4.8097 4.8410 5.7807 5.8008 5.9531 6.0042 6.3115 6.3910 7.6430 7.6558 8.0940 8.1454 8.1701 8.2045 8.3705 8.4119 8.6778 8.7277 8.8230 8.8687 8.9264 8.9745 9.0796 9.1072 9.1493 9.1835 9.2496 9.2621 9.4877 9.5374 10.2086 10.2720 10.3802 10.4311 10.6590 10.6762 11.2258 11.2782 14.3808 14.4207 14.5700 14.6169 k = 0.2094-0.2109 0.2094 ( 2357 PWs) bands (ev): -4.4026 -4.4015 -3.4426 -3.4401 4.1960 4.2758 4.4514 4.5031 4.7580 4.7945 5.8043 5.8326 5.9546 5.9928 6.3055 6.3835 7.6533 7.6660 8.0869 8.1378 8.1721 8.2064 8.3689 8.4126 8.6841 8.7367 8.8255 8.8669 8.9208 8.9673 9.0755 9.1012 9.1527 9.1820 9.2435 9.2556 9.4860 9.5345 10.1832 10.2478 10.3310 10.3852 10.6162 10.6311 11.2291 11.2767 14.5095 14.5436 14.6941 14.7451 k = 0.2172-0.2188 0.2171 ( 2353 PWs) bands (ev): -4.3663 -4.3651 -3.4548 -3.4523 4.1648 4.2377 4.4300 4.4694 4.7102 4.7533 5.8176 5.8599 5.9625 5.9821 6.2999 6.3758 7.6641 7.6766 8.0795 8.1301 8.1751 8.2089 8.3671 8.4128 8.6898 8.7453 8.8253 8.8630 8.9148 8.9596 9.0724 9.0968 9.1567 9.1812 9.2384 9.2498 9.4837 9.5306 10.1472 10.2041 10.2958 10.3440 10.5757 10.5893 11.2355 11.2780 14.6291 14.6560 14.8302 14.8856 k = 0.2249-0.2266 0.2249 ( 2357 PWs) bands (ev): -4.3297 -4.3283 -3.4666 -3.4641 4.1330 4.1987 4.4081 4.4366 4.6665 4.7171 5.8206 5.8806 5.9727 5.9766 6.2948 6.3679 7.6752 7.6876 8.0718 8.1222 8.1790 8.2117 8.3648 8.4124 8.6947 8.7533 8.8222 8.8572 8.9083 8.9517 9.0702 9.0947 9.1606 9.1809 9.2341 9.2446 9.4806 9.5255 10.1018 10.1463 10.2701 10.3073 10.5376 10.5505 11.2438 11.2810 14.7402 14.7616 14.9757 15.0361 k = 0.2327-0.2344 0.2327 ( 2359 PWs) bands (ev): -4.2929 -4.2913 -3.4779 -3.4754 4.1008 4.1590 4.3839 4.4075 4.6272 4.6857 5.8157 5.8916 5.9685 5.9929 6.2904 6.3601 7.6869 7.6990 8.0639 8.1142 8.1835 8.2150 8.3622 8.4113 8.6983 8.7601 8.8164 8.8504 8.9021 8.9439 9.0684 9.0948 9.1640 9.1812 9.2310 9.2403 9.4765 9.5190 10.0496 10.0828 10.2464 10.2738 10.5017 10.5145 11.2528 11.2847 14.8452 14.8637 15.1267 15.1929 k = 0.2404-0.2422 0.2404 ( 2361 PWs) bands (ev): -4.2559 -4.2541 -3.4887 -3.4862 4.0680 4.1188 4.3563 4.3841 4.5921 4.6583 5.8057 5.8912 5.9693 6.0094 6.2869 6.3525 7.6991 7.7109 8.0558 8.1060 8.1886 8.2184 8.3591 8.4096 8.7001 8.7651 8.8082 8.8432 8.8964 8.9367 9.0669 9.0963 9.1669 9.1824 9.2293 9.2369 9.4715 9.5110 9.9937 10.0177 10.2219 10.2419 10.4679 10.4809 11.2613 11.2880 14.9463 14.9640 15.2770 15.3512 k = 0.2482-0.2500 0.2482 ( 2367 PWs) bands (ev): -4.2189 -4.2170 -3.4991 -3.4965 4.0348 4.0788 4.3278 4.3650 4.5611 4.6345 5.7922 5.8819 5.9725 6.0236 6.2841 6.3453 7.7116 7.7231 8.0475 8.0975 8.1940 8.2221 8.3554 8.4071 8.6999 8.7665 8.7992 8.8362 8.8917 8.9303 9.0653 9.0980 9.1694 9.1844 9.2290 9.2346 9.4653 9.5015 9.9365 9.9527 10.1961 10.2107 10.4361 10.4493 11.2677 11.2896 15.0447 15.0627 15.3412 15.3847 k = 0.2559-0.2578 0.2559 ( 2364 PWs) bands (ev): -4.1820 -4.1799 -3.5088 -3.5062 4.0014 4.0392 4.3008 4.3483 4.5341 4.6138 5.7764 5.8675 5.9741 6.0342 6.2819 6.3388 7.7247 7.7359 8.0391 8.0889 8.1995 8.2258 8.3511 8.4040 8.6974 8.7620 8.7917 8.8300 8.8882 8.9253 9.0632 9.0991 9.1717 9.1877 9.2302 9.2334 9.4580 9.4905 9.8794 9.8892 10.1689 10.1801 10.4062 10.4195 11.2707 11.2882 15.1383 15.1551 15.2581 15.2822 k = 0.2637-0.2656 0.2637 ( 2365 PWs) bands (ev): -4.1454 -4.1431 -3.5180 -3.5154 3.9682 4.0007 4.2763 4.3334 4.5107 4.5959 5.7587 5.8501 5.9721 6.0401 6.2798 6.3328 7.7381 7.7489 8.0306 8.0802 8.2047 8.2294 8.3462 8.4003 8.6925 8.7513 8.7861 8.8249 8.8859 8.9218 9.0602 9.0986 9.1742 9.1923 9.2323 9.2340 9.4493 9.4778 9.8231 9.8287 10.1403 10.1503 10.3779 10.3911 11.2689 11.2828 15.1504 15.1599 15.2564 15.2770 k = 0.2714-0.2734 0.2714 ( 2359 PWs) bands (ev): -4.1090 -4.1066 -3.5265 -3.5239 3.9356 3.9638 4.2547 4.3203 4.4905 4.5803 5.7394 5.8307 5.9660 6.0411 6.2772 6.3272 7.7520 7.7624 8.0221 8.0712 8.2091 8.2330 8.3409 8.3963 8.6853 8.7368 8.7801 8.8206 8.8850 8.9201 9.0560 9.0962 9.1770 9.1983 9.2339 9.2380 9.4392 9.4635 9.7667 9.7736 10.1110 10.1217 10.3510 10.3640 11.2609 11.2725 15.0785 15.0886 15.3466 15.3700 k = 0.2792-0.2813 0.2792 ( 2355 PWs) bands (ev): -4.0732 -4.0705 -3.5345 -3.5318 3.9042 3.9289 4.2361 4.3089 4.4733 4.5669 5.7189 5.8098 5.9556 6.0369 6.2736 6.3215 7.7662 7.7761 8.0135 8.0621 8.2119 8.2366 8.3352 8.3923 8.6761 8.7208 8.7727 8.8161 8.8857 8.9197 9.0503 9.0917 9.1804 9.2053 9.2362 9.2440 9.4274 9.4480 9.7120 9.7234 10.0818 10.0943 10.3253 10.3378 11.2457 11.2566 15.0197 15.0278 15.4426 15.4682 k = 0.2870-0.2891 0.2869 ( 2361 PWs) bands (ev): -4.0379 -4.0351 -3.5418 -3.5390 3.8743 3.8965 4.2205 4.2993 4.4589 4.5555 5.6971 5.7874 5.9413 6.0277 6.2683 6.3149 7.7805 7.7898 8.0048 8.0528 8.2124 8.2399 8.3293 8.3888 8.6651 8.7040 8.7641 8.8105 8.8876 8.9202 9.0430 9.0852 9.1842 9.2129 9.2393 9.2517 9.4133 9.4318 9.6610 9.6771 10.0533 10.0680 10.3006 10.3124 11.2227 11.2344 14.9785 14.9848 15.5391 15.5672 k = 0.2947-0.2969 0.2947 ( 2364 PWs) bands (ev): -4.0033 -4.0003 -3.5484 -3.5455 3.8466 3.8669 4.2078 4.2915 4.4469 4.5459 5.6742 5.7638 5.9234 6.0139 6.2607 6.3068 7.7949 7.8035 7.9962 8.0433 8.2103 8.2425 8.3238 8.3862 8.6529 8.6871 8.7548 8.8037 8.8902 8.9208 9.0342 9.0771 9.1886 9.2210 9.2434 9.2610 9.3966 9.4162 9.6145 9.6349 10.0262 10.0429 10.2765 10.2876 11.1919 11.2054 14.9558 14.9606 15.6354 15.6663 k = 0.3025-0.3047 0.3025 ( 2366 PWs) bands (ev): -3.9696 -3.9663 -3.5544 -3.5514 3.8215 3.8406 4.1979 4.2855 4.4371 4.5380 5.6503 5.7391 5.9025 5.9960 6.2505 6.2964 7.8093 7.8171 7.9876 8.0336 8.2053 8.2434 8.3194 8.3851 8.6399 8.6706 8.7451 8.7960 8.8930 8.9207 9.0238 9.0677 9.1934 9.2294 9.2484 9.2715 9.3775 9.4015 9.5729 9.5967 10.0007 10.0192 10.2531 10.2633 11.1539 11.1695 14.9517 14.9556 15.7311 15.7651 k = 0.3102-0.3125 0.3102 ( 2366 PWs) bands (ev): -3.9367 -3.9332 -3.5597 -3.5566 3.7993 3.8178 4.1905 4.2813 4.4295 4.5318 5.6255 5.7133 5.8787 5.9744 6.2371 6.2830 7.8235 7.8302 7.9791 8.0238 8.1979 8.2413 8.3171 8.3858 8.6264 8.6548 8.7353 8.7874 8.8951 8.9193 9.0118 9.0574 9.1986 9.2380 9.2540 9.2829 9.3572 9.3878 9.5365 9.5625 9.9770 9.9971 10.2303 10.2394 11.1092 11.1269 14.9659 14.9693 15.8260 15.8635 k = 0.3180-0.3203 0.3180 ( 2364 PWs) bands (ev): -3.9049 -3.9012 -3.5643 -3.5612 3.7805 3.7987 4.1857 4.2790 4.4238 4.5272 5.5999 5.6864 5.8525 5.9494 6.2202 6.2660 7.8373 7.8426 7.9709 8.0140 8.1882 8.2356 8.3174 8.3881 8.6130 8.6399 8.7255 8.7784 8.8961 8.9161 8.9983 9.0464 9.2040 9.2466 9.2598 9.2946 9.3372 9.3754 9.5053 9.5320 9.9552 9.9766 10.2079 10.2159 11.0586 11.0782 14.9978 15.0010 15.9196 15.9610 k = 0.3257-0.3281 0.3257 ( 2362 PWs) bands (ev): -3.8742 -3.8702 -3.5683 -3.5650 3.7653 3.7836 4.1834 4.2786 4.4200 4.5241 5.5734 5.6585 5.8241 5.9215 6.1995 6.2452 7.8505 7.8539 7.9631 8.0040 8.1770 8.2264 8.3202 8.3919 8.5999 8.6264 8.7157 8.7691 8.8955 8.9108 8.9832 9.0348 9.2093 9.2553 9.2649 9.3059 9.3198 9.3650 9.4792 9.5053 9.9352 9.9576 10.1859 10.1928 11.0031 11.0244 15.0463 15.0497 16.0117 16.0573 k = 0.3335-0.3359 0.3335 ( 2358 PWs) bands (ev): -3.8447 -3.8405 -3.5717 -3.5682 3.7540 3.7726 4.1833 4.2801 4.4180 4.5224 5.5462 5.6297 5.7938 5.8909 6.1748 6.2202 7.8626 7.8637 7.9559 7.9942 8.1647 8.2147 8.3249 8.3969 8.5875 8.6144 8.7061 8.7597 8.8930 8.9034 8.9666 9.0222 9.2142 9.2625 9.2680 9.3072 9.3157 9.3588 9.4578 9.4823 9.9169 9.9403 10.1642 10.1699 10.9438 10.9666 15.1102 15.1144 16.1019 16.1520 k = 0.3412-0.3438 0.3412 ( 2358 PWs) bands (ev): -3.8165 -3.8121 -3.5744 -3.5708 3.7467 3.7658 4.1855 4.2833 4.4177 4.5221 5.5184 5.5998 5.7618 5.8580 6.1458 6.1907 7.8710 7.8737 7.9495 7.9845 8.1518 8.2012 8.3306 8.4026 8.5763 8.6042 8.6966 8.7505 8.8886 8.8942 8.9489 9.0086 9.2182 9.2606 9.2737 9.3028 9.3214 9.3595 9.4403 9.4634 9.9002 9.9244 10.1428 10.1474 10.8817 10.9057 15.1884 15.1936 16.1900 16.2447 k = 0.3490-0.3516 0.3490 ( 2361 PWs) bands (ev): -3.7896 -3.7850 -3.5765 -3.5727 3.7437 3.7633 4.1898 4.2884 4.4189 4.5231 5.4900 5.5690 5.7282 5.8228 6.1127 6.1568 7.8755 7.8831 7.9439 7.9754 8.1390 8.1868 8.3371 8.4089 8.5665 8.5961 8.6873 8.7414 8.8820 8.8834 8.9305 8.9937 9.2208 9.2529 9.2803 9.3026 9.3253 9.3670 9.4254 9.4504 9.8848 9.9099 10.1218 10.1252 10.8179 10.8429 15.2794 15.2861 16.2755 16.3349 k = 0.3568-0.3594 0.3567 ( 2363 PWs) bands (ev): -3.7642 -3.7594 -3.5780 -3.5741 3.7450 3.7653 4.1962 4.2952 4.4216 4.5254 5.4611 5.5374 5.6934 5.7858 6.0754 6.1184 7.8768 7.8908 7.9390 7.9674 8.1268 8.1722 8.3439 8.4154 8.5584 8.5902 8.6782 8.7327 8.8706 8.8739 8.9121 8.9776 9.2216 9.2451 9.2838 9.3034 9.3309 9.3782 9.4119 9.4445 9.8707 9.8967 10.1011 10.1034 10.7534 10.7793 15.3820 15.3906 16.3581 16.4220 k = 0.3645-0.3672 0.3645 ( 2365 PWs) bands (ev): -3.7403 -3.7353 -3.5789 -3.5749 3.7506 3.7717 4.2047 4.3036 4.4258 4.5288 5.4319 5.5049 5.6575 5.7470 6.0341 6.0757 7.8750 7.8962 7.9336 7.9613 8.1157 8.1580 8.3510 8.4217 8.5524 8.5865 8.6693 8.7246 8.8567 8.8634 8.8947 8.9606 9.2206 9.2391 9.2831 9.3049 9.3385 9.3899 9.4011 9.4458 9.8575 9.8846 10.0807 10.0821 10.6890 10.7157 15.4948 15.5058 16.4378 16.5056 k = 0.3723-0.3750 0.3723 ( 2369 PWs) bands (ev): -3.7179 -3.7127 -3.5793 -3.5751 3.7607 3.7826 4.2150 4.3137 4.4313 4.5333 5.4024 5.4717 5.6207 5.7067 5.9889 6.0289 7.8707 7.8991 7.9270 7.9573 8.1059 8.1447 8.3583 8.4277 8.5484 8.5850 8.6607 8.7171 8.8412 8.8506 8.8793 8.9431 9.2182 9.2347 9.2796 9.3057 9.3468 9.3875 9.4081 9.4532 9.8452 9.8735 10.0607 10.0614 10.6255 10.6530 15.6166 15.6304 16.5142 16.5853 k = 0.3800-0.3828 0.3800 ( 2367 PWs) bands (ev): -3.6971 -3.6917 -3.5792 -3.5749 3.7753 3.7979 4.2272 4.3254 4.4381 4.5387 5.3728 5.4378 5.5832 5.6651 5.9403 5.9781 7.8649 7.8990 7.9197 7.9542 8.0980 8.1328 8.3659 8.4334 8.5464 8.5856 8.6522 8.7105 8.8242 8.8362 8.8664 8.9259 9.2152 9.2314 9.2748 9.3045 9.3547 9.3810 9.4240 9.4652 9.8335 9.8633 10.0409 10.0419 10.5636 10.5918 15.7460 15.7632 16.5873 16.6606 k = 0.3878-0.3906 0.3878 ( 2365 PWs) bands (ev): -3.6779 -3.6723 -3.5787 -3.5742 3.7941 3.8175 4.2412 4.3384 4.4460 4.5450 5.3432 5.4035 5.5452 5.6223 5.8886 5.9240 7.8581 7.8955 7.9130 7.9508 8.0919 8.1226 8.3737 8.4387 8.5461 8.5882 8.6440 8.7051 8.8062 8.8208 8.8553 8.9093 9.2123 9.2285 9.2694 9.3010 9.3603 9.3783 9.4418 9.4805 9.8223 9.8537 10.0217 10.0234 10.5038 10.5327 15.8817 15.9030 16.6569 16.7311 k = 0.3955-0.3984 0.3955 ( 2359 PWs) bands (ev): -3.6602 -3.6545 -3.5777 -3.5730 3.8173 3.8414 4.2567 4.3527 4.4549 4.5519 5.3137 5.3687 5.5068 5.5785 5.8343 5.8669 7.8508 7.8887 7.9074 7.9464 8.0876 8.1142 8.3818 8.4438 8.5468 8.5923 8.6361 8.7009 8.7880 8.8052 8.8455 8.8938 9.2096 9.2258 9.2637 9.2956 9.3625 9.3801 9.4611 9.4981 9.8116 9.8447 10.0035 10.0059 10.4463 10.4760 16.0222 16.0484 16.7230 16.7966 k = 0.4033-0.4063 0.4033 ( 2361 PWs) bands (ev): -3.6442 -3.6383 -3.5764 -3.5716 3.8445 3.8695 4.2737 4.3682 4.4647 4.5594 5.2846 5.3337 5.4679 5.5339 5.7781 5.8075 7.8434 7.8800 7.9022 7.9407 8.0848 8.1075 8.3902 8.4486 8.5479 8.5977 8.6284 8.6979 8.7703 8.7898 8.8364 8.8795 9.2072 9.2232 9.2580 9.2888 9.3625 9.3840 9.4816 9.5172 9.8013 9.8360 9.9863 9.9894 10.3917 10.4221 16.1661 16.1980 16.7855 16.8569 k = 0.4110-0.4141 0.4110 ( 2359 PWs) bands (ev): -3.6297 -3.6237 -3.5748 -3.5698 3.8757 3.9013 4.2919 4.3845 4.4752 4.5672 5.2558 5.2987 5.4288 5.4887 5.7209 5.7465 7.8362 7.8705 7.8970 7.9339 8.0832 8.1025 8.3987 8.4533 8.5488 8.6037 8.6212 8.6960 8.7542 8.7751 8.8279 8.8666 9.2052 9.2208 9.2525 9.2815 9.3620 9.3877 9.5030 9.5374 9.7914 9.8276 9.9705 9.9741 10.3400 10.3710 16.3116 16.3504 16.8444 16.9120 k = 0.4188-0.4219 0.4188 ( 2355 PWs) bands (ev): -3.6168 -3.6106 -3.5730 -3.5678 3.9105 3.9368 4.3112 4.4017 4.4860 4.5752 5.2277 5.2641 5.3892 5.4430 5.6634 5.6851 7.8292 7.8611 7.8917 7.9264 8.0826 8.0989 8.4074 8.4582 8.5490 8.6075 8.6169 8.6944 8.7407 8.7618 8.8200 8.8552 9.2034 9.2186 9.2471 9.2740 9.3612 9.3901 9.5250 9.5582 9.7820 9.8193 9.9561 9.9603 10.2916 10.3230 16.4567 16.5035 16.8995 16.9621 k = 0.4266-0.4297 0.4265 ( 2347 PWs) bands (ev): -3.6054 -3.5991 -3.5710 -3.5657 3.9487 3.9756 4.3310 4.4193 4.4969 4.5831 5.2003 5.2300 5.3492 5.3972 5.6068 5.6242 7.8227 7.8518 7.8864 7.9184 8.0828 8.0964 8.4163 8.4633 8.5481 8.6033 8.6207 8.6916 8.7309 8.7509 8.8126 8.8453 9.2019 9.2167 9.2420 9.2667 9.3602 9.3910 9.5473 9.5793 9.7734 9.8110 9.9433 9.9480 10.2464 10.2781 16.5987 16.6552 16.9509 17.0075 k = 0.4343-0.4375 0.4343 ( 2349 PWs) bands (ev): -3.5954 -3.5891 -3.5689 -3.5634 3.9898 4.0171 4.3510 4.4372 4.5071 4.5908 5.1737 5.1969 5.3087 5.3515 5.5521 5.5651 7.8167 7.8429 7.8814 7.9103 8.0833 8.0947 8.4251 8.4683 8.5460 8.5962 8.6264 8.6864 8.7246 8.7445 8.8056 8.8367 9.2006 9.2150 9.2372 9.2597 9.3589 9.3902 9.5696 9.6003 9.7656 9.8029 9.9321 9.9372 10.2046 10.2363 16.7344 16.8023 16.9986 17.0492 k = 0.4421-0.4453 0.4420 ( 2351 PWs) bands (ev): -3.5869 -3.5804 -3.5667 -3.5611 4.0332 4.0608 4.3703 4.4554 4.5161 4.5983 5.1478 5.1650 5.2681 5.3065 5.5006 5.5095 7.8113 7.8346 7.8767 7.9025 8.0841 8.0936 8.4337 8.4735 8.5429 8.5888 8.6306 8.6794 8.7204 8.7438 8.7989 8.8292 9.1995 9.2137 9.2326 9.2532 9.3572 9.3879 9.5917 9.6208 9.7588 9.7948 9.9226 9.9279 10.1664 10.1975 16.8595 16.9399 17.0427 17.0891 k = 0.4498-0.4531 0.4498 ( 2352 PWs) bands (ev): -3.5797 -3.5732 -3.5646 -3.5589 4.0783 4.1059 4.3881 4.4738 4.5227 4.6056 5.1221 5.1342 5.2288 5.2629 5.4532 5.4587 7.8067 7.8270 7.8727 7.8952 8.0851 8.0930 8.4422 8.4788 8.5388 8.5811 8.6328 8.6719 8.7187 8.7475 8.7927 8.8229 9.1987 9.2127 9.2284 9.2471 9.3555 9.3843 9.6133 9.6405 9.7533 9.7870 9.9148 9.9201 10.1320 10.1620 16.9673 17.0579 17.0841 17.1344 k = 0.4576-0.4609 0.4576 ( 2352 PWs) bands (ev): -3.5737 -3.5674 -3.5625 -3.5568 4.1242 4.1514 4.4031 4.4925 4.5258 4.6128 5.0961 5.1045 5.1930 5.2223 5.4109 5.4139 7.8028 7.8202 7.8693 7.8887 8.0863 8.0928 8.4503 8.4844 8.5341 8.5732 8.6330 8.6644 8.7201 8.7534 8.7868 8.8175 9.1982 9.2122 9.2243 9.2416 9.3539 9.3796 9.6341 9.6587 9.7491 9.7794 9.9085 9.9135 10.1018 10.1298 17.0486 17.1137 17.1477 17.2004 k = 0.4653-0.4688 0.4653 ( 2348 PWs) bands (ev): -3.5690 -3.5631 -3.5602 -3.5549 4.1697 4.1958 4.4143 4.5112 4.5246 4.6195 5.0693 5.0754 5.1633 5.1866 5.3744 5.3760 7.7997 7.8143 7.8668 7.8829 8.0875 8.0929 8.4582 8.4902 8.5289 8.5653 8.6322 8.6571 8.7243 8.7600 8.7813 8.8129 9.1980 9.2121 9.2205 9.2367 9.3526 9.3744 9.6537 9.6750 9.7461 9.7721 9.9037 9.9082 10.0762 10.1012 17.1005 17.1399 17.2121 17.2672 k = 0.4731-0.4766 0.4731 ( 2349 PWs) bands (ev): -3.5653 -3.5606 -3.5576 -3.5533 4.2129 4.2371 4.4215 4.5160 4.5324 4.6248 5.0425 5.0476 5.1415 5.1583 5.3445 5.3455 7.7976 7.8094 7.8650 7.8780 8.0889 8.0932 8.4658 8.4963 8.5234 8.5572 8.6314 8.6502 8.7300 8.7664 8.7761 8.8087 9.1983 9.2125 9.2170 9.2323 9.3520 9.3690 9.6717 9.6889 9.7441 9.7647 9.9001 9.9041 10.0560 10.0766 17.1336 17.1588 17.2666 17.3117 k = 0.4809-0.4844 0.4808 ( 2343 PWs) bands (ev): -3.5626 -3.5593 -3.5552 -3.5522 4.2514 4.2716 4.4260 4.5046 4.5510 4.6271 5.0186 5.0233 5.1272 5.1384 5.3217 5.3225 7.7964 7.8054 7.8641 7.8741 8.0903 8.0936 8.4731 8.5027 8.5177 8.5492 8.6311 8.6441 8.7363 8.7692 8.7744 8.8049 9.1990 9.2128 9.2144 9.2286 9.3522 9.3639 9.6877 9.7001 9.7425 9.7569 9.8978 9.9010 10.0420 10.0569 17.1564 17.1719 17.3066 17.3382 k = 0.4886-0.4922 0.4886 ( 2337 PWs) bands (ev): -3.5609 -3.5586 -3.5536 -3.5515 4.2816 4.2940 4.4315 4.4899 4.5683 4.6247 5.0022 5.0054 5.1193 5.1265 5.3068 5.3073 7.7962 7.8025 7.8641 7.8711 8.0917 8.0941 8.4801 8.5091 8.5119 8.5415 8.6317 8.6389 8.7425 8.7648 8.7792 8.8011 9.2003 9.2105 9.2152 9.2255 9.3534 9.3594 9.7017 9.7085 9.7404 9.7479 9.8965 9.8988 10.0350 10.0428 17.1722 17.1797 17.3315 17.3519 k = 0.4964-0.5000 0.4963 ( 2320 PWs) bands (ev): -3.5599 -3.5586 -3.5527 -3.5515 4.2985 4.2987 4.4419 4.4761 4.5826 4.6164 4.9965 4.9976 5.1171 5.1212 5.3002 5.3004 7.7972 7.8009 7.8653 7.8694 8.0932 8.0946 8.4868 8.5053 8.5163 8.5345 8.6330 8.6355 8.7479 8.7601 8.7842 8.7970 9.2021 9.2082 9.2170 9.2230 9.3555 9.3562 9.7127 9.7154 9.7361 9.7379 9.8962 9.8976 10.0353 10.0354 17.1820 17.1821 17.3428 17.3543 k = 0.4964-0.5000 0.4963 ( 2320 PWs) bands (ev): -3.5599 -3.5586 -3.5527 -3.5515 4.2985 4.2987 4.4419 4.4761 4.5826 4.6164 4.9965 4.9976 5.1171 5.1212 5.3002 5.3004 7.7972 7.8009 7.8653 7.8694 8.0932 8.0946 8.4868 8.5053 8.5163 8.5345 8.6330 8.6355 8.7479 8.7601 8.7842 8.7970 9.2021 9.2082 9.2170 9.2230 9.3555 9.3562 9.7127 9.7154 9.7361 9.7379 9.8962 9.8976 10.0353 10.0354 17.1820 17.1821 17.3428 17.3543 k = 0.5000-0.4963 0.5000 ( 2320 PWs) bands (ev): -3.5592 -3.5592 -3.5520 -3.5520 4.2999 4.2999 4.4594 4.4594 4.5999 4.5999 4.9964 4.9964 5.1184 5.1184 5.2985 5.2985 7.7989 7.7989 7.8673 7.8673 8.0946 8.0946 8.4960 8.4960 8.5254 8.5254 8.6337 8.6337 8.7540 8.7540 8.7907 8.7907 9.2050 9.2050 9.2199 9.2199 9.3558 9.3558 9.7243 9.7243 9.7265 9.7265 9.8967 9.8967 10.0353 10.0353 17.1845 17.1845 17.3492 17.3492 k = 0.5000-0.4963 0.5000 ( 2320 PWs) bands (ev): -3.5592 -3.5592 -3.5520 -3.5520 4.2999 4.2999 4.4594 4.4594 4.5999 4.5999 4.9964 4.9964 5.1184 5.1184 5.2985 5.2985 7.7989 7.7989 7.8673 7.8673 8.0946 8.0946 8.4960 8.4960 8.5254 8.5254 8.6337 8.6337 8.7540 8.7540 8.7907 8.7907 9.2050 9.2050 9.2199 9.2199 9.3558 9.3558 9.7243 9.7243 9.7265 9.7265 9.8967 9.8967 10.0353 10.0353 17.1845 17.1845 17.3492 17.3492 k = 0.4999-0.4829 0.5000 ( 2331 PWs) bands (ev): -3.5603 -3.5587 -3.5531 -3.5517 4.2862 4.2973 4.4390 4.4814 4.5781 4.6181 4.9999 5.0030 5.1189 5.1236 5.3035 5.3039 7.7970 7.8015 7.8650 7.8700 8.0930 8.0947 8.4846 8.5069 8.5142 8.5370 8.6317 8.6375 8.7456 8.7620 8.7826 8.7982 9.2016 9.2089 9.2164 9.2239 9.3537 9.3588 9.7073 9.7140 9.7360 9.7415 9.8964 9.8981 10.0346 10.0413 17.1764 17.1830 17.3370 17.3512 k = 0.4998-0.4695 0.5000 ( 2341 PWs) bands (ev): -3.5622 -3.5591 -3.5548 -3.5520 4.2601 4.2791 4.4199 4.4906 4.5653 4.6336 5.0109 5.0174 5.1273 5.1354 5.3181 5.3192 7.7958 7.8051 7.8636 7.8738 8.0899 8.0931 8.4729 8.5031 8.5179 8.5489 8.6318 8.6432 8.7370 8.7691 8.7742 8.8050 9.1986 9.2128 9.2141 9.2285 9.3525 9.3627 9.6886 9.7014 9.7457 9.7559 9.8974 9.9007 10.0395 10.0524 17.1587 17.1720 17.3146 17.3429 k = 0.4997-0.4561 0.5000 ( 2345 PWs) bands (ev): -3.5648 -3.5602 -3.5569 -3.5530 4.2256 4.2500 4.3968 4.4660 4.5824 4.6506 5.0232 5.0340 5.1474 5.1570 5.3407 5.3435 7.7956 7.8100 7.8629 7.8787 8.0853 8.0901 8.4610 8.4928 8.5285 8.5607 8.6343 8.6507 8.7285 8.7646 8.7764 8.8111 9.1962 9.2108 9.2186 9.2337 9.3523 9.3673 9.6691 9.6881 9.7543 9.7688 9.8999 9.9046 10.0499 10.0681 17.1303 17.1508 17.2819 17.3243 k = 0.4996-0.4427 0.5000 ( 2346 PWs) bands (ev): -3.5680 -3.5625 -3.5594 -3.5546 4.1857 4.2140 4.3668 4.4231 4.6149 4.6718 5.0332 5.0487 5.1800 5.1903 5.3698 5.3752 7.7959 7.8161 7.8628 7.8848 8.0795 8.0858 8.4492 8.4830 8.5391 8.5722 8.6388 8.6599 8.7206 8.7553 8.7824 8.8166 9.1942 9.2086 9.2239 9.2395 9.3530 9.3723 9.6492 9.6747 9.7622 9.7802 9.9039 9.9100 10.0655 10.0879 17.0902 17.1185 17.2383 17.2954 k = 0.4995-0.4293 0.5000 ( 2348 PWs) bands (ev): -3.5719 -3.5658 -3.5621 -3.5569 4.1421 4.1738 4.3301 4.3740 4.6520 4.6975 5.0418 5.0611 5.2224 5.2331 5.4039 5.4128 7.7968 7.8235 7.8632 7.8920 8.0724 8.0801 8.4377 8.4736 8.5497 8.5827 8.6449 8.6705 8.7138 8.7460 8.7879 8.8215 9.1926 9.2068 9.2295 9.2457 9.3542 9.3776 9.6295 9.6613 9.7694 9.7906 9.9097 9.9168 10.0856 10.1111 17.0367 17.0738 17.1833 17.2553 k = 0.4994-0.4159 0.5000 ( 2351 PWs) bands (ev): -3.5764 -3.5700 -3.5652 -3.5598 4.0963 4.1307 4.2886 4.3222 4.6910 4.7271 5.0512 5.0732 5.2710 5.2820 5.4422 5.4552 7.7980 7.8321 7.8638 7.9003 8.0643 8.0733 8.4267 8.4649 8.5606 8.5918 8.6522 8.6824 8.7086 8.7370 8.7929 8.8259 9.1911 9.2051 9.2351 9.2523 9.3558 9.3827 9.6102 9.6486 9.7762 9.8003 9.9173 9.9254 10.1097 10.1374 16.9686 17.0145 17.1169 17.2032 k = 0.4993-0.4024 0.5000 ( 2353 PWs) bands (ev): -3.5815 -3.5750 -3.5687 -3.5634 4.0490 4.0855 4.2438 4.2695 4.7311 4.7601 5.0627 5.0865 5.3230 5.3342 5.4837 5.5015 7.7995 7.8421 7.8646 7.9098 8.0552 8.0655 8.4164 8.4568 8.5714 8.5988 8.6599 8.6954 8.7054 8.7291 8.7975 8.8299 9.1899 9.2037 9.2406 9.2590 9.3574 9.3873 9.5920 9.6368 9.7828 9.8096 9.9270 9.9359 10.1372 10.1665 16.8853 16.9381 17.0411 17.1380 k = 0.4992-0.3890 0.5000 ( 2355 PWs) bands (ev): -3.5871 -3.5806 -3.5727 -3.5675 4.0008 4.0388 4.1972 4.2166 4.7721 4.7960 5.0772 5.1021 5.3767 5.3877 5.5280 5.5509 7.8011 7.8532 7.8657 7.9203 8.0455 8.0573 8.4071 8.4494 8.5823 8.6030 8.6675 8.7029 8.7094 8.7252 8.8021 8.8336 9.1887 9.2024 9.2457 9.2656 9.3584 9.3907 9.5755 9.6265 9.7895 9.8188 9.9389 9.9486 10.1677 10.1980 16.7869 16.8430 16.9575 17.0590 k = 0.4991-0.3756 0.5000 ( 2356 PWs) bands (ev): -3.5933 -3.5867 -3.5772 -3.5721 3.9521 3.9911 4.1496 4.1641 4.8137 4.8344 5.0948 5.1204 5.4307 5.4413 5.5745 5.6028 7.8027 7.8625 7.8695 7.9315 8.0354 8.0492 8.3986 8.4428 8.5930 8.6044 8.6743 8.6997 8.7202 8.7312 8.8069 8.8372 9.1877 9.2013 9.2504 9.2722 9.3583 9.3923 9.5613 9.6180 9.7963 9.8281 9.9533 9.9635 10.2009 10.2318 16.6750 16.7304 16.8657 16.9647 k = 0.4990-0.3622 0.5000 ( 2354 PWs) bands (ev): -3.5999 -3.5934 -3.5821 -3.5772 3.9035 3.9428 4.1017 4.1125 4.8559 4.8753 5.1158 5.1416 5.4841 5.4941 5.6229 5.6567 7.8041 7.8640 7.8816 7.9427 8.0253 8.0423 8.3914 8.4372 8.6012 8.6056 8.6785 8.6963 8.7293 8.7463 8.8122 8.8408 9.1868 9.2003 9.2546 9.2785 9.3567 9.3916 9.5501 9.6114 9.8034 9.8377 9.9702 9.9809 10.2364 10.2677 16.5512 16.6036 16.7629 16.8525 k = 0.4989-0.3488 0.5000 ( 2360 PWs) bands (ev): -3.6070 -3.6005 -3.5875 -3.5827 3.8550 3.8943 4.0539 4.0619 4.8988 4.9181 5.1399 5.1658 5.5361 5.5455 5.6728 5.7119 7.8049 7.8630 7.8957 7.9526 8.0156 8.0385 8.3852 8.4324 8.5992 8.6146 8.6771 8.6976 8.7403 8.7636 8.8181 8.8445 9.1859 9.1994 9.2582 9.2843 9.3533 9.3881 9.5426 9.6070 9.8109 9.8477 9.9899 10.0008 10.2741 10.3055 16.4175 16.4659 16.6463 16.7208 k = 0.4988-0.3354 0.5000 ( 2363 PWs) bands (ev): -3.6144 -3.6080 -3.5933 -3.5887 3.8071 3.8459 4.0067 4.0125 4.9425 4.9627 5.1671 5.1928 5.5862 5.5951 5.7241 5.7680 7.8052 7.8606 7.9094 7.9592 8.0079 8.0403 8.3799 8.4284 8.5952 8.6240 8.6718 8.7027 8.7532 8.7813 8.8253 8.8486 9.1852 9.1988 9.2612 9.2895 9.3481 9.3815 9.5389 9.6045 9.8190 9.8581 10.0124 10.0235 10.3139 10.3452 16.2758 16.3197 16.5143 16.5712 k = 0.4987-0.3220 0.5000 ( 2359 PWs) bands (ev): -3.6221 -3.6158 -3.5994 -3.5950 3.7599 3.7979 3.9603 3.9646 4.9870 5.0088 5.1972 5.2226 5.6341 5.6427 5.7764 5.8244 7.8046 7.8563 7.9205 7.9610 8.0052 8.0493 8.3757 8.4254 8.5907 8.6327 8.6662 8.7086 8.7673 8.7982 8.8346 8.8531 9.1846 9.1984 9.2638 9.2940 9.3417 9.3722 9.5388 9.6039 9.8277 9.8692 10.0378 10.0488 10.3556 10.3868 16.1279 16.1674 16.3676 16.4082 k = 0.4986-0.3085 0.5000 ( 2361 PWs) bands (ev): -3.6301 -3.6239 -3.6058 -3.6015 3.7137 3.7507 3.9148 3.9181 5.0325 5.0560 5.2299 5.2548 5.6796 5.6882 5.8291 5.8807 7.8028 7.8497 7.9266 7.9575 8.0113 8.0647 8.3723 8.4230 8.5862 8.6398 8.6619 8.7146 8.7822 8.8126 8.8471 8.8582 9.1841 9.1982 9.2658 9.2970 9.3344 9.3610 9.5417 9.6049 9.8371 9.8809 10.0659 10.0768 10.3993 10.4301 15.9752 16.0106 16.2088 16.2363 k = 0.4985-0.2951 0.5000 ( 2360 PWs) bands (ev): -3.6383 -3.6323 -3.6124 -3.6083 3.6686 3.7043 3.8704 3.8732 5.0788 5.1040 5.2650 5.2894 5.7225 5.7314 5.8821 5.9363 7.7993 7.8404 7.9280 7.9510 8.0264 8.0850 8.3695 8.4211 8.5821 8.6437 8.6609 8.7202 8.7974 8.8239 8.8632 8.8639 9.1839 9.1983 9.2672 9.2981 9.3276 9.3486 9.5469 9.6072 9.8473 9.8932 10.0968 10.1073 10.4447 10.4752 15.8192 15.8508 16.0414 16.0594 k = 0.4984-0.2817 0.5000 ( 2362 PWs) bands (ev): -3.6467 -3.6408 -3.6192 -3.6153 3.6247 3.6590 3.8274 3.8298 5.1259 5.1528 5.3021 5.3259 5.7627 5.7723 5.9347 5.9910 7.7938 7.8285 7.9262 7.9442 8.0477 8.1086 8.3673 8.4195 8.5785 8.6434 8.6642 8.7256 8.8127 8.8332 8.8702 8.8818 9.1838 9.1986 9.2681 9.2957 9.3226 9.3361 9.5538 9.6109 9.8582 9.9063 10.1303 10.1404 10.4920 10.5219 15.6609 15.6890 15.8683 15.8803 k = 0.4983-0.2683 0.5000 ( 2356 PWs) bands (ev): -3.6551 -3.6494 -3.6262 -3.6225 3.5822 3.6150 3.7858 3.7882 5.1735 5.2020 5.3411 5.3642 5.8004 5.8109 5.9868 6.0443 7.7861 7.8142 7.9226 7.9390 8.0728 8.1349 8.3655 8.4183 8.5757 8.6415 8.6695 8.7306 8.8274 8.8419 8.8772 8.9013 9.1839 9.1993 9.2682 9.2897 9.3182 9.3264 9.5622 9.6157 9.8699 9.9200 10.1663 10.1760 10.5410 10.5703 15.5014 15.5265 15.6919 15.7008 k = 0.4982-0.2549 0.5000 ( 2358 PWs) bands (ev): -3.6636 -3.6581 -3.6332 -3.6297 3.5413 3.5725 3.7457 3.7481 5.2215 5.2514 5.3815 5.4040 5.8356 5.8471 6.0378 6.0960 7.7760 7.7979 7.9181 7.9356 8.1000 8.1631 8.3641 8.4171 8.5736 8.6397 8.6750 8.7353 8.8403 8.8515 8.8845 8.9209 9.1842 9.2003 9.2668 9.2818 9.3093 9.3243 9.5718 9.6217 9.8823 9.9344 10.2046 10.2137 10.5916 10.6202 15.3417 15.3640 15.5144 15.5223 k = 0.4981-0.2415 0.5000 ( 2356 PWs) bands (ev): -3.6721 -3.6667 -3.6402 -3.6369 3.5020 3.5315 3.7074 3.7098 5.2696 5.3008 5.4231 5.4448 5.8683 5.8809 6.0877 6.1460 7.7636 7.7800 7.9141 7.9337 8.1284 8.1928 8.3631 8.4161 8.5723 8.6385 8.6804 8.7397 8.8503 8.8634 8.8924 8.9398 9.1844 9.2016 9.2629 9.2733 9.3013 9.3251 9.5825 9.6289 9.8955 9.9494 10.2449 10.2535 10.6439 10.6716 15.1825 15.2024 15.3374 15.3455 k = 0.4980-0.2281 0.5000 ( 2361 PWs) bands (ev): -3.6804 -3.6753 -3.6472 -3.6441 3.4643 3.4922 3.6708 3.6732 5.3177 5.3500 5.4656 5.4864 5.8985 5.9124 6.1361 6.1941 7.7490 7.7609 7.9108 7.9327 8.1568 8.2232 8.3626 8.4153 8.5718 8.6380 8.6854 8.7438 8.8586 8.8761 8.9006 8.9578 9.1843 9.2031 9.2564 9.2643 9.2971 9.3265 9.5944 9.6376 9.9094 9.9650 10.2871 10.2951 10.6975 10.7243 15.0246 15.0425 15.1625 15.1710 k = 0.4979-0.2146 0.5000 ( 2361 PWs) bands (ev): -3.6887 -3.6838 -3.6541 -3.6512 3.4285 3.4547 3.6360 3.6383 5.3654 5.3986 5.5085 5.5284 5.9264 5.9415 6.1829 6.2401 7.7328 7.7409 7.9086 7.9321 8.1840 8.2538 8.3630 8.4155 8.5722 8.6383 8.6903 8.7475 8.8665 8.8883 8.9094 8.9742 9.1836 9.2049 9.2485 9.2550 9.2966 9.3282 9.6076 9.6479 9.9238 9.9810 10.3310 10.3385 10.7524 10.7781 14.8687 14.8850 14.9907 14.9996 k = 0.4978-0.2012 0.5000 ( 2361 PWs) bands (ev): -3.6967 -3.6921 -3.6609 -3.6582 3.3946 3.4190 3.6030 3.6053 5.4125 5.4465 5.5515 5.5705 5.9520 5.9682 6.2280 6.2839 7.7153 7.7205 7.9071 7.9318 8.2089 8.2831 8.3651 8.4173 8.5733 8.6394 8.6950 8.7510 8.8742 8.8992 8.9187 8.9889 9.1819 9.2069 9.2396 9.2471 9.2985 9.3303 9.6222 9.6599 9.9388 9.9973 10.3763 10.3833 10.8084 10.8329 14.7156 14.7304 14.8229 14.8319 k = 0.4977-0.1878 0.5000 ( 2359 PWs) bands (ev): -3.7045 -3.7001 -3.6675 -3.6649 3.3626 3.3853 3.5720 3.5742 5.4586 5.4932 5.5942 5.6123 5.9754 5.9928 6.2713 6.3256 7.6970 7.6998 7.9065 7.9317 8.2299 8.3085 8.3703 8.4218 8.5756 8.6413 8.6995 8.7541 8.8821 8.9089 8.9283 9.0016 9.1789 9.2085 9.2302 9.2415 9.3021 9.3329 9.6383 9.6738 9.9540 10.0137 10.4228 10.4293 10.8651 10.8884 14.5658 14.5795 14.6598 14.6687 k = 0.4976-0.1744 0.5000 ( 2363 PWs) bands (ev): -3.7120 -3.7079 -3.6739 -3.6715 3.3326 3.3536 3.5429 3.5450 5.5036 5.5385 5.6363 5.6533 5.9967 6.0152 6.3127 6.3649 7.6778 7.6790 7.9063 7.9317 8.2462 8.3255 8.3818 8.4299 8.5793 8.6444 8.7040 8.7571 8.8899 8.9176 8.9379 9.0119 9.1745 9.2081 9.2228 9.2378 9.3068 9.3359 9.6561 9.6898 9.9693 10.0300 10.4702 10.4763 10.9224 10.9442 14.4202 14.4329 14.5021 14.5108 k = 0.4975-0.1610 0.5000 ( 2362 PWs) bands (ev): -3.7192 -3.7153 -3.6800 -3.6778 3.3046 3.3240 3.5158 3.5178 5.5472 5.5821 5.6774 5.6932 6.0162 6.0355 6.3521 6.4020 7.6578 7.6589 7.9066 7.9316 8.2575 8.3323 8.3998 8.4414 8.5851 8.6490 8.7085 8.7599 8.8975 8.9255 8.9470 9.0197 9.1692 9.2028 9.2206 9.2356 9.3124 9.3396 9.6756 9.7079 9.9846 10.0460 10.5181 10.5239 10.9797 11.0001 14.2793 14.2912 14.3508 14.3589 k = 0.4974-0.1476 0.5000 ( 2362 PWs) bands (ev): -3.7259 -3.7224 -3.6857 -3.6837 3.2787 3.2964 3.4907 3.4926 5.5889 5.6236 5.7170 5.7316 6.0338 6.0538 6.3895 6.4368 7.6374 7.6394 7.9073 7.9316 8.2646 8.3325 8.4196 8.4544 8.5940 8.6557 8.7130 8.7627 8.9048 8.9329 8.9554 9.0250 9.1633 9.1945 9.2217 9.2343 9.3184 9.3438 9.6969 9.7283 9.9995 10.0614 10.5663 10.5717 11.0367 11.0555 14.1439 14.1550 14.2064 14.2139 k = 0.4973-0.1341 0.5000 ( 2358 PWs) bands (ev): -3.7323 -3.7290 -3.6911 -3.6893 3.2550 3.2711 3.4677 3.4694 5.6287 5.6628 5.7548 5.7680 6.0497 6.0701 6.4249 6.4692 7.6174 7.6203 7.9082 7.9314 8.2686 8.3296 8.4372 8.4665 8.6069 8.6648 8.7177 8.7656 8.9115 8.9401 8.9628 9.0276 9.1574 9.1858 9.2235 9.2335 9.3249 9.3487 9.7198 9.7506 10.0139 10.0759 10.6143 10.6195 11.0927 11.1099 14.0148 14.0250 14.0699 14.0765 k = 0.4972-0.1207 0.5000 ( 2354 PWs) bands (ev): -3.7381 -3.7351 -3.6962 -3.6945 3.2334 3.2479 3.4467 3.4483 5.6662 5.6992 5.7904 5.8021 6.0641 6.0847 6.4580 6.4991 7.5982 7.6017 7.9092 7.9312 8.2706 8.3251 8.4512 8.4758 8.6240 8.6763 8.7227 8.7688 8.9172 8.9470 8.9694 9.0276 9.1519 9.1775 9.2253 9.2330 9.3316 9.3538 9.7443 9.7747 10.0275 10.0892 10.6616 10.6665 11.1471 11.1627 13.8928 13.9021 13.9420 13.9476 k = 0.4971-0.1073 0.5000 ( 2362 PWs) bands (ev): -3.7435 -3.7408 -3.7008 -3.6993 3.2140 3.2269 3.4277 3.4292 5.7011 5.7327 5.8232 5.8335 6.0771 6.0975 6.4889 6.5265 7.5797 7.5837 7.9104 7.9308 8.2714 8.3196 8.4610 8.4814 8.6442 8.6896 8.7284 8.7727 8.9215 8.9536 8.9749 9.0251 9.1467 9.1695 9.2266 9.2324 9.3383 9.3590 9.7698 9.8002 10.0400 10.1008 10.7076 10.7124 11.1992 11.2131 13.7789 13.7871 13.8236 13.8280 k = 0.4970-0.0939 0.5000 ( 2364 PWs) bands (ev): -3.7483 -3.7459 -3.7049 -3.7036 3.1969 3.2081 3.4109 3.4123 5.7331 5.7627 5.8531 5.8618 6.0888 6.1085 6.5175 6.5512 7.5626 7.5668 7.9117 7.9303 8.2716 8.3136 8.4674 8.4839 8.6656 8.7031 8.7359 8.7778 8.9242 8.9599 8.9795 9.0206 9.1424 9.1623 9.2276 9.2317 9.3450 9.3640 9.7960 9.8263 10.0513 10.1106 10.7517 10.7563 11.2484 11.2605 13.6740 13.6811 13.7156 13.7187 k = 0.4970-0.0805 0.5000 ( 2372 PWs) bands (ev): -3.7525 -3.7505 -3.7085 -3.7074 3.1820 3.1916 3.3963 3.3975 5.7620 5.7892 5.8795 5.8868 6.0994 6.1179 6.5435 6.5731 7.5467 7.5510 7.9130 7.9296 8.2715 8.3075 8.4710 8.4843 8.6859 8.7144 8.7464 8.7850 8.9251 8.9655 8.9832 9.0145 9.1388 9.1559 9.2282 9.2309 9.3514 9.3685 9.8223 9.8524 10.0614 10.1182 10.7931 10.7975 11.2936 11.3040 13.5792 13.5851 13.6187 13.6205 k = 0.4969-0.0671 0.5000 ( 2370 PWs) bands (ev): -3.7561 -3.7544 -3.7117 -3.7108 3.1694 3.1774 3.3837 3.3848 5.7877 5.8118 5.9023 5.9082 6.1091 6.1259 6.5668 6.5922 7.5327 7.5368 7.9144 7.9288 8.2716 8.3016 8.4727 8.4832 8.7031 8.7225 8.7605 8.7951 8.9243 8.9695 8.9860 9.0082 9.1359 9.1502 9.2285 9.2300 9.3574 9.3725 9.8480 9.8774 10.0704 10.1233 10.8312 10.8353 11.3342 11.3429 13.4957 13.5005 13.5338 13.5345 k = 0.4968-0.0537 0.5000 ( 2368 PWs) bands (ev): -3.7591 -3.7578 -3.7143 -3.7135 3.1590 3.1655 3.3733 3.3743 5.8099 5.8303 5.9213 5.9258 6.1178 6.1322 6.5872 6.6080 7.5205 7.5242 7.9157 7.9278 8.2720 8.2960 8.4731 8.4814 8.7157 8.7279 8.7768 8.8081 8.9220 8.9699 8.9883 9.0033 9.1337 9.1455 9.2286 9.2290 9.3629 9.3758 9.8723 9.8998 10.0784 10.1257 10.8648 10.8685 11.3693 11.3764 13.4246 13.4284 13.4616 13.4618 k = 0.4967-0.0402 0.5000 ( 2370 PWs) bands (ev): -3.7615 -3.7605 -3.7163 -3.7158 3.1510 3.1560 3.3651 3.3660 5.8283 5.8444 5.9362 5.9394 6.1255 6.1370 6.6044 6.6204 7.5105 7.5137 7.9170 7.9265 8.2727 8.2907 8.4729 8.4794 8.7240 8.7315 8.7938 8.8225 8.9188 8.9644 8.9911 9.0011 9.1322 9.1415 9.2278 9.2287 9.3677 9.3781 9.8942 9.9182 10.0860 10.1253 10.8930 10.8963 11.3980 11.4036 13.3670 13.3699 13.4028 13.4035 k = 0.4966-0.0268 0.5000 ( 2367 PWs) bands (ev): -3.7632 -3.7625 -3.7178 -3.7174 3.1453 3.1487 3.3591 3.3598 5.8428 5.8541 5.9471 5.9491 6.1321 6.1402 6.6183 6.6293 7.5029 7.5054 7.9183 7.9252 8.2740 8.2860 8.4725 8.4774 8.7291 8.7337 8.8102 8.8355 8.9162 8.9544 8.9943 9.0006 9.1314 9.1385 9.2268 9.2287 9.3718 9.3796 9.9130 9.9312 10.0936 10.1223 10.9149 10.9178 11.4199 11.4238 13.3239 13.3261 13.3588 13.3599 k = 0.4965-0.0134 0.5000 ( 2375 PWs) bands (ev): -3.7642 -3.7639 -3.7188 -3.7185 3.1418 3.1438 3.3552 3.3558 5.8533 5.8593 5.9538 5.9548 6.1375 6.1418 6.6285 6.6345 7.4978 7.4994 7.9195 7.9236 8.2755 8.2819 8.4721 8.4759 8.7322 8.7347 8.8245 8.8438 8.9164 8.9424 8.9971 9.0004 9.1311 9.1360 9.2258 9.2287 9.3749 9.3801 9.9275 9.9375 10.1016 10.1170 10.9297 10.9322 11.4341 11.4366 13.2962 13.2979 13.3302 13.3315 k = 0.4964-0.0000 0.5000 ( 2373 PWs) bands (ev): -3.7646 -3.7646 -3.7191 -3.7191 3.1408 3.1412 3.3535 3.3541 5.8594 5.8599 5.9564 5.9567 6.1414 6.1419 6.6350 6.6358 7.4955 7.4962 7.9206 7.9220 8.2761 8.2802 8.4716 8.4751 8.7334 8.7353 8.8355 8.8443 8.9221 8.9308 8.9984 9.0006 9.1316 9.1345 9.2249 9.2289 9.3771 9.3797 9.9360 9.9377 10.1091 10.1107 10.9369 10.9389 11.4405 11.4417 13.2843 13.2858 13.3176 13.3189 k = 0.4963 0.0134 0.5000 ( 2373 PWs) bands (ev): -3.7646 -3.7643 -3.7190 -3.7189 3.1409 3.1421 3.3540 3.3545 5.8561 5.8611 5.9541 5.9555 6.1401 6.1441 6.6333 6.6376 7.4956 7.4960 7.9201 7.9217 8.2740 8.2823 8.4711 8.4753 8.7325 8.7358 8.8372 8.8410 8.9213 8.9326 8.9977 9.0018 9.1327 9.1337 9.2242 9.2292 9.3777 9.3789 9.9297 9.9397 10.1023 10.1175 10.9360 10.9377 11.4383 11.4394 13.2885 13.2903 13.3210 13.3224 k = 0.4962 0.0268 0.5000 ( 2369 PWs) bands (ev): -3.7640 -3.7633 -3.7184 -3.7181 3.1429 3.1456 3.3566 3.3572 5.8480 5.8583 5.9479 5.9503 6.1371 6.1450 6.6269 6.6364 7.4980 7.4993 7.9183 7.9226 8.2719 8.2858 8.4708 8.4764 8.7303 8.7354 8.8251 8.8391 8.9168 8.9451 8.9959 9.0026 9.1333 9.1349 9.2236 9.2297 9.3755 9.3788 9.9171 9.9356 10.0946 10.1236 10.9273 10.9287 11.4276 11.4300 13.3088 13.3110 13.3405 13.3418 k = 0.4961 0.0402 0.5000 ( 2367 PWs) bands (ev): -3.7627 -3.7616 -3.7172 -3.7167 3.1473 3.1516 3.3614 3.3620 5.8356 5.8510 5.9377 5.9413 6.1326 6.1443 6.6168 6.6313 7.5030 7.5052 7.9163 7.9233 8.2703 8.2899 8.4704 8.4778 8.7269 8.7336 8.8096 8.8305 8.9169 8.9572 8.9939 9.0029 9.1338 9.1375 9.2231 9.2302 9.3721 9.3780 9.8999 9.9247 10.0873 10.1276 10.9108 10.9122 11.4091 11.4130 13.3446 13.3475 13.3756 13.3770 k = 0.4960 0.0537 0.5000 ( 2370 PWs) bands (ev): -3.7607 -3.7593 -3.7154 -3.7147 3.1540 3.1598 3.3684 3.3691 5.8193 5.8392 5.9236 5.9283 6.1269 6.1419 6.6030 6.6224 7.5105 7.5135 7.9143 7.9239 8.2692 8.2946 8.4699 8.4794 8.7216 8.7304 8.7922 8.8183 8.9194 8.9667 8.9921 9.0032 9.1347 9.1410 9.2227 9.2309 9.3678 9.3762 9.8791 9.9078 10.0801 10.1289 10.8874 10.8890 11.3835 11.3890 13.3953 13.3989 13.4258 13.4275 k = 0.4959 0.0671 0.5000 ( 2372 PWs) bands (ev): -3.7581 -3.7564 -3.7130 -3.7122 3.1631 3.1704 3.3775 3.3783 5.7991 5.8229 5.9055 5.9114 6.1200 6.1379 6.5858 6.6098 7.5205 7.5240 7.9123 7.9243 8.2687 8.2997 8.4689 8.4809 8.7129 8.7259 8.7740 8.8055 8.9221 8.9711 8.9915 9.0051 9.1363 9.1453 9.2223 9.2315 9.3628 9.3736 9.8558 9.8865 10.0725 10.1275 10.8579 10.8598 11.3513 11.3584 13.4599 13.4644 13.4903 13.4926 k = 0.4958 0.0805 0.5000 ( 2372 PWs) bands (ev): -3.7548 -3.7528 -3.7102 -3.7092 3.1744 3.1832 3.3888 3.3897 5.7754 5.8024 5.8838 5.8909 6.1120 6.1321 6.5655 6.5938 7.5326 7.5365 7.9102 7.9246 8.2687 8.3052 8.4669 8.4817 8.6997 8.7202 8.7566 8.7944 8.9241 8.9699 8.9905 9.0102 9.1385 9.1505 9.2218 9.2320 9.3571 9.3701 9.8308 9.8622 10.0641 10.1232 10.8232 10.8255 11.3134 11.3221 13.5372 13.5426 13.5684 13.5714 k = 0.4957 0.0939 0.5000 ( 2370 PWs) bands (ev): -3.7509 -3.7486 -3.7068 -3.7056 3.1880 3.1984 3.4023 3.4033 5.7482 5.7778 5.8585 5.8668 6.1028 6.1247 6.5421 6.5746 7.5466 7.5508 7.9082 7.9247 8.2691 8.3109 8.4632 8.4813 8.6821 8.7124 8.7417 8.7860 8.9246 8.9659 8.9880 9.0168 9.1415 9.1566 9.2212 9.2325 9.3510 9.3660 9.8049 9.8363 10.0544 10.1162 10.7844 10.7870 11.2704 11.2809 13.6263 13.6326 13.6592 13.6629 k = 0.4956 0.1073 0.5000 ( 2362 PWs) bands (ev): -3.7464 -3.7438 -3.7029 -3.7015 3.2038 3.2159 3.4178 3.4190 5.7178 5.7495 5.8300 5.8395 6.0926 6.1156 6.5160 6.5523 7.5624 7.5665 7.9063 7.9247 8.2695 8.3167 8.4572 8.4790 8.6619 8.7016 8.7308 8.7800 8.9234 8.9606 8.9842 9.0228 9.1451 9.1635 9.2204 9.2329 9.3445 9.3614 9.7789 9.8100 10.0435 10.1070 10.7423 10.7453 11.2233 11.2354 13.7259 13.7331 13.7617 13.7663 k = 0.4955 0.1207 0.5000 ( 2352 PWs) bands (ev): -3.7414 -3.7385 -3.6985 -3.6969 3.2219 3.2356 3.4355 3.4368 5.6845 5.7176 5.7984 5.8091 6.0809 6.1047 6.4873 6.5272 7.5795 7.5835 7.9044 7.9246 8.2699 8.3225 8.4480 8.4737 8.6412 8.6889 8.7235 8.7755 8.9206 8.9549 8.9795 9.0271 9.1497 9.1712 9.2192 9.2331 9.3377 9.3566 9.7535 9.7842 10.0314 10.0958 10.6978 10.7012 11.1727 11.1866 13.8349 13.8429 13.8750 13.8805 k = 0.4954 0.1341 0.5000 ( 2356 PWs) bands (ev): -3.7359 -3.7326 -3.6937 -3.6919 3.2422 3.2575 3.4553 3.4567 5.6484 5.6824 5.7641 5.7760 6.0678 6.0920 6.4560 6.4992 7.5977 7.6013 7.9026 7.9243 8.2696 8.3278 8.4350 8.4646 8.6223 8.6765 8.7179 8.7721 8.9163 8.9486 8.9738 9.0291 9.1547 9.1794 9.2178 9.2332 9.3309 9.3516 9.7289 9.7596 10.0181 10.0829 10.6515 10.6553 11.1194 11.1350 13.9525 13.9612 13.9982 14.0046 k = 0.4953 0.1476 0.5000 ( 2358 PWs) bands (ev): -3.7298 -3.7262 -3.6884 -3.6865 3.2647 3.2816 3.4771 3.4787 5.6098 5.6443 5.7276 5.7404 6.0531 6.0773 6.4225 6.4687 7.6169 7.6199 7.9009 7.9239 8.2680 8.3322 8.4181 8.4518 8.6067 8.6660 8.7131 8.7691 8.9107 8.9420 8.9672 9.0285 9.1602 9.1880 9.2161 9.2335 9.3241 9.3469 9.7056 9.7366 10.0041 10.0686 10.6040 10.6084 11.0643 11.0815 14.0775 14.0870 14.1305 14.1375 k = 0.4952 0.1610 0.5000 ( 2358 PWs) bands (ev): -3.7233 -3.7195 -3.6828 -3.6807 3.2894 3.3079 3.5010 3.5027 5.5691 5.6037 5.6892 5.7029 6.0368 6.0608 6.3867 6.4355 7.6367 7.6390 7.8995 7.9234 8.2642 8.3351 8.3979 8.4366 8.5948 8.6576 8.7087 8.7664 8.9043 8.9351 8.9597 9.0254 9.1660 9.1965 9.2149 9.2342 9.3177 9.3427 9.6841 9.7156 9.9894 10.0534 10.5561 10.5609 11.0078 11.0266 14.2093 14.2194 14.2709 14.2786 k = 0.4951 0.1744 0.5000 ( 2364 PWs) bands (ev): -3.7164 -3.7123 -3.6769 -3.6746 3.3162 3.3364 3.5269 3.5287 5.5264 5.5607 5.6492 5.6637 6.0185 6.0421 6.3488 6.4000 7.6569 7.6583 7.8982 7.9229 8.2568 8.3345 8.3762 8.4217 8.5864 8.6513 8.7044 8.7638 8.8973 8.9277 8.9515 9.0195 9.1714 9.2026 9.2162 9.2357 9.3117 9.3390 9.6642 9.6967 9.9744 10.0375 10.5080 10.5133 10.9506 10.9710 14.3469 14.3578 14.4187 14.4268 k = 0.4950 0.1878 0.5000 ( 2357 PWs) bands (ev): -3.7091 -3.7047 -3.6706 -3.6682 3.3450 3.3669 3.5548 3.5567 5.4821 5.5158 5.6081 5.6232 5.9984 6.0214 6.3088 6.3620 7.6772 7.6780 7.8974 7.9224 8.2444 8.3248 8.3592 8.4103 8.5805 8.6467 8.7003 8.7612 8.8899 8.9198 8.9426 9.0111 9.1760 9.2036 9.2231 9.2386 9.3064 9.3361 9.6461 9.6800 9.9593 10.0213 10.4603 10.4661 10.8932 10.9151 14.4896 14.5015 14.5731 14.5815 k = 0.4949 0.2012 0.5000 ( 2359 PWs) bands (ev): -3.7015 -3.6968 -3.6641 -3.6615 3.3758 3.3994 3.5847 3.5867 5.4364 5.4694 5.5662 5.5819 5.9761 5.9984 6.2668 6.3216 7.6963 7.6985 7.8969 7.9219 8.2262 8.3018 8.3520 8.4036 8.5764 8.6434 8.6962 8.7584 8.8823 8.9111 8.9334 9.0003 9.1794 9.2021 9.2327 9.2432 9.3021 9.3335 9.6297 9.6653 9.9443 10.0050 10.4132 10.4195 10.8361 10.8594 14.6367 14.6498 14.7332 14.7419 k = 0.4948 0.2146 0.5000 ( 2362 PWs) bands (ev): -3.6936 -3.6887 -3.6574 -3.6546 3.4087 3.4340 3.6164 3.6186 5.3896 5.4216 5.5239 5.5401 5.9517 5.9732 6.2229 6.2789 7.7147 7.7191 7.8970 7.9215 8.2030 8.2725 8.3497 8.4009 8.5735 8.6409 8.6920 8.7553 8.8745 8.9016 8.9240 8.9872 9.1813 9.2001 9.2428 9.2498 9.2989 9.3315 9.6149 9.6527 9.9297 9.9888 10.3670 10.3739 10.7795 10.8041 14.7875 14.8020 14.8984 14.9071 k = 0.4947 0.2281 0.5000 ( 2363 PWs) bands (ev): -3.6855 -3.6804 -3.6505 -3.6475 3.4434 3.4704 3.6500 3.6523 5.3421 5.3729 5.4816 5.4981 5.9249 5.9457 6.1772 6.2340 7.7322 7.7394 7.8978 7.9212 8.1761 8.2413 8.3492 8.4006 8.5717 8.6394 8.6877 8.7519 8.8666 8.8911 8.9147 8.9723 9.1822 9.1982 9.2525 9.2581 9.2976 9.3298 9.6016 9.6418 9.9155 9.9729 10.3221 10.3294 10.7238 10.7496 14.9413 14.9574 15.0679 15.0765 k = 0.4946 0.2415 0.5000 ( 2360 PWs) bands (ev): -3.6772 -3.6719 -3.6435 -3.6404 3.4800 3.5087 3.6855 3.6878 5.2940 5.3235 5.4395 5.4564 5.8957 5.9158 6.1299 6.1869 7.7484 7.7593 7.8996 7.9213 8.1474 8.2100 8.3498 8.4016 8.5708 8.6388 8.6832 8.7483 8.8583 8.8800 8.9058 8.9558 9.1823 9.1965 9.2616 9.2665 9.2990 9.3285 9.5896 9.6326 9.9021 9.9574 10.2787 10.2865 10.6693 10.6961 15.0974 15.1155 15.2410 15.2493 k = 0.4945 0.2549 0.5000 ( 2358 PWs) bands (ev): -3.6688 -3.6633 -3.6365 -3.6331 3.5183 3.5487 3.7226 3.7252 5.2458 5.2739 5.3981 5.4154 5.8640 5.8835 6.0810 6.1378 7.7629 7.7783 7.9024 7.9217 8.1180 8.1793 8.3511 8.4031 8.5708 8.6390 8.6784 8.7443 8.8491 8.8688 8.8972 8.9381 9.1820 9.1951 9.2686 9.2746 9.3038 9.3278 9.5788 9.6249 9.8893 9.9426 10.2370 10.2453 10.6160 10.6438 15.2552 15.2754 15.4166 15.4248 k = 0.4944 0.2683 0.5000 ( 2360 PWs) bands (ev): -3.6604 -3.6546 -3.6294 -3.6259 3.5584 3.5903 3.7614 3.7643 5.1975 5.2241 5.3576 5.3752 5.8297 5.8486 6.0308 6.0868 7.7752 7.7963 7.9061 7.9229 8.0892 8.1498 8.3528 8.4047 8.5716 8.6401 8.6732 8.7400 8.8383 8.8583 8.8890 8.9195 9.1817 9.1941 9.2716 9.2836 9.3111 9.3287 9.5691 9.6184 9.8773 9.9284 10.1972 10.2060 10.5641 10.5929 15.4138 15.4364 15.5937 15.6022 k = 0.4943 0.2817 0.5000 ( 2362 PWs) bands (ev): -3.6519 -3.6460 -3.6224 -3.6187 3.6000 3.6335 3.8017 3.8050 5.1494 5.1745 5.3184 5.3363 5.7928 5.8114 5.9795 6.0341 7.7851 7.8127 7.9103 7.9256 8.0617 8.1219 8.3549 8.4064 8.5734 8.6422 8.6675 8.7352 8.8258 8.8485 8.8811 8.9008 9.1814 9.1934 9.2722 9.2917 9.3174 9.3339 9.5605 9.6131 9.8662 9.9149 10.1595 10.1688 10.5138 10.5433 15.5724 15.5976 15.7706 15.7809 k = 0.4942 0.2951 0.5000 ( 2360 PWs) bands (ev): -3.6436 -3.6375 -3.6155 -3.6116 3.6431 3.6781 3.8435 3.8475 5.1019 5.1254 5.2808 5.2989 5.7532 5.7717 5.9274 5.9800 7.7926 7.8271 7.9138 7.9306 8.0368 8.0961 8.3574 8.4081 8.5761 8.6454 8.6613 8.7301 8.8121 8.8388 8.8734 8.8829 9.1814 9.1930 9.2717 9.2972 9.3222 9.3438 9.5533 9.6089 9.8559 9.9023 10.1241 10.1339 10.4652 10.4953 15.7301 15.7582 15.9455 15.9599 k = 0.4941 0.3085 0.5000 ( 2359 PWs) bands (ev): -3.6353 -3.6291 -3.6087 -3.6047 3.6876 3.7239 3.8866 3.8915 5.0549 5.0771 5.2451 5.2634 5.7109 5.7296 5.8749 5.9247 7.7977 7.8391 7.9156 7.9374 8.0156 8.0727 8.3603 8.4102 8.5796 8.6489 8.6551 8.7246 8.7977 8.8281 8.8631 8.8698 9.1815 9.1930 9.2705 9.2987 9.3283 9.3552 9.5474 9.6058 9.8465 9.8904 10.0913 10.1015 10.4183 10.4490 15.8858 15.9170 16.1163 16.1376 k = 0.4940 0.3220 0.5000 ( 2361 PWs) bands (ev): -3.6272 -3.6209 -3.6022 -3.5979 3.7332 3.7707 3.9309 3.9371 5.0086 5.0297 5.2115 5.2300 5.6659 5.6851 5.8224 5.8687 7.8008 7.8483 7.9147 7.9446 8.0003 8.0527 8.3637 8.4125 8.5839 8.6456 8.6560 8.7187 8.7832 8.8150 8.8498 8.8630 9.1819 9.1933 9.2687 9.2971 9.3355 9.3665 9.5434 9.6038 9.8379 9.8793 10.0610 10.0716 10.3732 10.4042 16.0385 16.0729 16.2806 16.3119 k = 0.4939 0.3354 0.5000 ( 2363 PWs) bands (ev): -3.6194 -3.6129 -3.5959 -3.5915 3.7800 3.8184 3.9762 3.9842 4.9631 4.9836 5.1804 5.1990 5.6183 5.6383 5.7701 5.8122 7.8022 7.8547 7.9096 7.9495 7.9934 8.0371 8.3678 8.4154 8.5886 8.6375 8.6618 8.7124 8.7688 8.7993 8.8389 8.8579 9.1824 9.1938 9.2665 9.2937 9.3426 9.3763 9.5419 9.6031 9.8301 9.8691 10.0335 10.0444 10.3298 10.3612 16.1867 16.2242 16.4353 16.4797 k = 0.4938 0.3488 0.5000 ( 2364 PWs) bands (ev): -3.6118 -3.6053 -3.5899 -3.5853 3.8276 3.8667 4.0223 4.0326 4.9184 4.9390 5.1519 5.1706 5.5683 5.5892 5.7185 5.7559 7.8024 7.8587 7.8999 7.9498 7.9954 8.0277 8.3727 8.4190 8.5936 8.6286 8.6684 8.7057 8.7549 8.7820 8.8302 8.8535 9.1831 9.1946 9.2637 9.2892 9.3487 9.3840 9.5433 9.6039 9.8231 9.8596 10.0088 10.0199 10.2884 10.3200 16.3292 16.3695 16.5776 16.6373 k = 0.4937 0.3622 0.5000 ( 2358 PWs) bands (ev): -3.6046 -3.5980 -3.5843 -3.5795 3.8759 3.9153 4.0690 4.0823 4.8745 4.8964 5.1264 5.1449 5.5163 5.5381 5.6679 5.7002 7.8019 7.8609 7.8876 7.9450 8.0028 8.0255 8.3785 8.4234 8.5985 8.6192 8.6753 8.6992 8.7420 8.7644 8.8231 8.8496 9.1839 9.1955 9.2605 9.2840 9.3532 9.3890 9.5482 9.6065 9.8167 9.8508 9.9869 9.9981 10.2491 10.2806 16.4641 16.5065 16.7060 16.7804 k = 0.4936 0.3756 0.5000 ( 2352 PWs) bands (ev): -3.5977 -3.5911 -3.5790 -3.5742 3.9247 3.9639 4.1158 4.1332 4.8313 4.8560 5.1039 5.1220 5.4627 5.4853 5.6186 5.6456 7.8009 7.8616 7.8747 7.9366 8.0125 8.0294 8.3853 8.4286 8.6023 8.6095 8.6803 8.6948 8.7304 8.7473 8.8171 8.8460 9.1848 9.1967 9.2568 9.2783 9.3560 9.3910 9.5565 9.6110 9.8108 9.8427 9.9678 9.9788 10.2118 10.2432 16.5899 16.6331 16.8204 16.9062 k = 0.4935 0.3890 0.5000 ( 2354 PWs) bands (ev): -3.5914 -3.5847 -3.5743 -3.5693 3.9737 4.0121 4.1623 4.1849 4.7889 4.8180 5.0847 5.1021 5.4083 5.4313 5.5707 5.5927 7.7994 7.8592 7.8643 7.9266 8.0230 8.0368 8.3929 8.4345 8.5984 8.6055 8.6782 8.6969 8.7206 8.7317 8.8117 8.8425 9.1857 9.1979 9.2524 9.2722 9.3572 9.3904 9.5680 9.6173 9.8053 9.8350 9.9514 9.9621 10.1770 10.2078 16.7049 16.7471 16.9220 17.0143 k = 0.4934 0.4024 0.5000 ( 2352 PWs) bands (ev): -3.5855 -3.5789 -3.5700 -3.5649 4.0225 4.0597 4.2079 4.2373 4.7474 4.7827 5.0687 5.0850 5.3537 5.3768 5.5247 5.5419 7.7978 7.8491 7.8622 7.9164 8.0337 8.0456 8.4016 8.4414 8.5882 8.6053 8.6720 8.7015 8.7108 8.7221 8.8068 8.8390 9.1867 9.1992 9.2477 9.2658 9.3570 9.3878 9.5821 9.6253 9.8000 9.8276 9.9374 9.9478 10.1447 10.1747 16.8077 16.8468 17.0122 17.1063 k = 0.4933 0.4159 0.5000 ( 2350 PWs) bands (ev): -3.5801 -3.5736 -3.5662 -3.5610 4.0708 4.1060 4.2517 4.2898 4.7069 4.7504 5.0557 5.0705 5.3001 5.3229 5.4809 5.4937 7.7963 7.8388 7.8614 7.9069 8.0442 8.0548 8.4111 8.4489 8.5776 8.6021 8.6647 8.6977 8.7041 8.7241 8.8020 8.8353 9.1877 9.2007 9.2425 9.2594 9.3560 9.3837 9.5980 9.6348 9.7947 9.8201 9.9258 9.9356 10.1155 10.1440 16.8972 16.9317 17.0910 17.1835 k = 0.4932 0.4293 0.5000 ( 2349 PWs) bands (ev): -3.5753 -3.5689 -3.5630 -3.5578 4.1181 4.1505 4.2926 4.3420 4.6674 4.7216 5.0453 5.0580 5.2489 5.2711 5.4398 5.4487 7.7949 7.8296 7.8607 7.8983 8.0542 8.0637 8.4213 8.4572 8.5671 8.5960 8.6570 8.6848 8.7066 8.7316 8.7972 8.8312 9.1889 9.2023 9.2370 9.2531 9.3547 9.3788 9.6151 9.6455 9.7892 9.8122 9.9164 9.9255 10.0898 10.1162 16.9732 17.0022 17.1585 17.2457 k = 0.4931 0.4427 0.5000 ( 2348 PWs) bands (ev): -3.5711 -3.5649 -3.5603 -3.5551 4.1637 4.1925 4.3289 4.3929 4.6293 4.6970 5.0364 5.0465 5.2023 5.2237 5.4020 5.4078 7.7938 7.8218 7.8601 7.8907 8.0635 8.0719 8.4321 8.4661 8.5567 8.5874 8.6496 8.6728 8.7112 8.7406 8.7919 8.8267 9.1903 9.2041 9.2314 9.2468 9.3536 9.3735 9.6329 9.6570 9.7832 9.8033 9.9090 9.9172 10.0683 10.0915 17.0362 17.0593 17.2145 17.2926 k = 0.4930 0.4561 0.5000 ( 2344 PWs) bands (ev): -3.5675 -3.5618 -3.5580 -3.5531 4.2064 4.2307 4.3593 4.4409 4.5933 4.6770 5.0273 5.0349 5.1635 5.1837 5.3685 5.3717 7.7932 7.8153 7.8600 7.8843 8.0720 8.0790 8.4434 8.4756 8.5463 8.5773 8.6431 8.6618 8.7178 8.7501 8.7863 8.8217 9.1919 9.2061 9.2260 9.2409 9.3529 9.3683 9.6509 9.6689 9.7765 9.7928 9.9035 9.9106 10.0517 10.0705 17.0868 17.1042 17.2598 17.3256 k = 0.4929 0.4695 0.5000 ( 2341 PWs) bands (ev): -3.5646 -3.5596 -3.5561 -3.5518 4.2447 4.2632 4.3832 4.4830 4.5613 4.6613 5.0160 5.0220 5.1360 5.1540 5.3402 5.3417 7.7932 7.8099 7.8604 7.8790 8.0793 8.0850 8.4548 8.4857 8.5359 8.5663 8.6382 8.6522 8.7254 8.7595 8.7800 8.8161 9.1939 9.2084 9.2207 9.2354 9.3530 9.3636 9.6687 9.6808 9.7686 9.7803 9.8996 9.9055 10.0405 10.0539 17.1262 17.1380 17.2949 17.3468 k = 0.4928 0.4829 0.5000 ( 2333 PWs) bands (ev): -3.5624 -3.5584 -3.5546 -3.5511 4.2755 4.2862 4.4030 4.5055 4.5461 4.6476 5.0043 5.0089 5.1215 5.1354 5.3186 5.3193 7.7939 7.8059 7.8615 7.8748 8.0856 8.0898 8.4663 8.4962 8.5253 8.5548 8.6351 8.6443 8.7336 8.7687 8.7732 8.8099 9.1963 9.2111 9.2159 9.2305 9.3539 9.3595 9.6859 9.6926 9.7595 9.7657 9.8972 9.9016 10.0351 10.0420 17.1553 17.1614 17.3200 17.3575 k = 0.4927 0.4963 0.5000 ( 2320 PWs) bands (ev): -3.5608 -3.5583 -3.5534 -3.5511 4.2945 4.2950 4.4238 4.4919 4.5645 4.6318 4.9979 5.0003 5.1171 5.1256 5.3054 5.3058 7.7955 7.8029 7.8634 7.8717 8.0905 8.0932 8.4776 8.5072 8.5145 8.5436 8.6336 8.6385 8.7416 8.7661 8.7774 8.8031 9.1993 9.2115 9.2142 9.2263 9.3553 9.3568 9.7014 9.7046 9.7481 9.7496 9.8963 9.8990 10.0354 10.0356 17.1747 17.1750 17.3352 17.3583 k = 0.4927 0.4963 0.5000 ( 2320 PWs) bands (ev): -3.5608 -3.5583 -3.5534 -3.5511 4.2945 4.2950 4.4238 4.4919 4.5645 4.6318 4.9979 5.0003 5.1171 5.1256 5.3054 5.3058 7.7955 7.8029 7.8634 7.8717 8.0905 8.0932 8.4776 8.5072 8.5145 8.5436 8.6336 8.6385 8.7416 8.7661 8.7774 8.8031 9.1993 9.2115 9.2142 9.2263 9.3553 9.3568 9.7014 9.7046 9.7481 9.7496 9.8963 9.8990 10.0354 10.0356 17.1747 17.1750 17.3352 17.3583 k = 0.4850 0.4886 0.4922 ( 2320 PWs) bands (ev): -3.5632 -3.5585 -3.5549 -3.5508 4.2785 4.2794 4.3837 4.5216 4.5244 4.6606 5.0042 5.0115 5.1211 5.1408 5.3276 5.3282 7.7927 7.8079 7.8601 7.8770 8.0803 8.0857 8.4582 8.4882 8.5339 8.5626 8.6384 8.6484 8.7285 8.7622 8.7783 8.8151 9.1942 9.2088 9.2191 9.2336 9.3552 9.3582 9.6784 9.6827 9.7744 9.7753 9.8981 9.9037 10.0362 10.0367 17.1428 17.1441 17.3154 17.3634 k = 0.4773 0.4808 0.4844 ( 2335 PWs) bands (ev): -3.5662 -3.5605 -3.5562 -3.5514 4.2533 4.2545 4.3423 4.4827 4.5457 4.6834 5.0142 5.0311 5.1293 5.1645 5.3634 5.3641 7.7904 7.8132 7.8573 7.8826 8.0650 8.0725 8.4389 8.4693 8.5531 8.5805 8.6473 8.6621 8.7161 8.7460 8.7899 8.8259 9.1899 9.2040 9.2272 9.2414 9.3553 9.3601 9.6566 9.6622 9.8016 9.8022 9.9023 9.9105 10.0373 10.0384 17.0890 17.0916 17.2921 17.3651 k = 0.4696 0.4731 0.4766 ( 2341 PWs) bands (ev): -3.5695 -3.5634 -3.5577 -3.5529 4.2212 4.2224 4.3005 4.4404 4.5638 4.7000 5.0273 5.0592 5.1411 5.1968 5.4107 5.4112 7.7890 7.8193 7.8553 7.8890 8.0454 8.0546 8.4198 8.4506 8.5720 8.5957 8.6597 8.6790 8.7064 8.7289 8.8010 8.8357 9.1866 9.1998 9.2359 9.2497 9.3558 9.3624 9.6361 9.6434 9.8299 9.8303 9.9091 9.9196 10.0394 10.0413 17.0150 17.0186 17.2669 17.3640 k = 0.4619 0.4653 0.4688 ( 2353 PWs) bands (ev): -3.5732 -3.5671 -3.5599 -3.5554 4.1843 4.1854 4.2589 4.3983 4.5761 4.7108 5.0427 5.0956 5.1555 5.2374 5.4669 5.4672 7.7883 7.8261 7.8540 7.8960 8.0228 8.0332 8.4010 8.4322 8.5901 8.6051 8.6732 8.6976 8.7034 8.7114 8.8119 8.8446 9.1842 9.1961 9.2448 9.2582 9.3563 9.3650 9.6168 9.6261 9.8592 9.8595 9.9185 9.9307 10.0423 10.0456 16.9233 16.9275 17.2402 17.3599 k = 0.4542 0.4576 0.4610 ( 2365 PWs) bands (ev): -3.5772 -3.5712 -3.5630 -3.5589 4.1447 4.1456 4.2180 4.3568 4.5834 4.7167 5.0601 5.1393 5.1721 5.2850 5.5298 5.5298 7.7883 7.8335 7.8535 7.9035 7.9978 8.0090 8.3827 8.4143 8.6054 8.6071 8.6858 8.6940 8.7117 8.7166 8.8227 8.8528 9.1826 9.1927 9.2535 9.2668 9.3568 9.3679 9.5990 9.6107 9.8893 9.8899 9.9306 9.9436 10.0465 10.0520 16.8172 16.8215 17.2118 17.3527 k = 0.4465 0.4498 0.4531 ( 2374 PWs) bands (ev): -3.5814 -3.5758 -3.5669 -3.5636 4.1039 4.1047 4.1783 4.3164 4.5867 4.7189 5.0792 5.1892 5.1905 5.3386 5.5971 5.5976 7.7890 7.8414 7.8535 7.9114 7.9712 7.9829 8.3650 8.3970 8.5968 8.6207 8.6790 8.6993 8.7283 8.7350 8.8338 8.8605 9.1818 9.1897 9.2619 9.2751 9.3571 9.3708 9.5828 9.5972 9.9202 9.9213 9.9454 9.9578 10.0527 10.0617 16.6997 16.7037 17.1818 17.3419 k = 0.4388 0.4421 0.4453 ( 2374 PWs) bands (ev): -3.5859 -3.5813 -3.5714 -3.5693 4.0633 4.0639 4.1401 4.2774 4.5871 4.7183 5.0996 5.2102 5.2440 5.3969 5.6678 5.6686 7.7905 7.8500 7.8545 7.9199 7.9441 7.9559 8.3481 8.3804 8.5825 8.6246 8.6729 8.7150 8.7479 8.7518 8.8455 8.8679 9.1818 9.1870 9.2698 9.2829 9.3569 9.3736 9.5682 9.5860 9.9506 9.9539 9.9619 9.9735 10.0620 10.0760 16.5736 16.5773 17.1499 17.3272 k = 0.4311 0.4343 0.4375 ( 2374 PWs) bands (ev): -3.5909 -3.5881 -3.5759 -3.5759 4.0240 4.0244 4.1036 4.2401 4.5853 4.7159 5.1211 5.2312 5.3026 5.4589 5.7403 5.7415 7.7926 7.8560 7.8591 7.9167 7.9284 7.9288 8.3321 8.3646 8.5651 8.6141 8.6804 8.7322 8.7665 8.7680 8.8578 8.8750 9.1825 9.1845 9.2768 9.2898 9.3560 9.3761 9.5556 9.5771 9.9744 9.9786 9.9875 9.9955 10.0765 10.0964 16.4416 16.4449 17.1161 17.3082 k = 0.4234 0.4265 0.4297 ( 2374 PWs) bands (ev): -3.5971 -3.5964 -3.5827 -3.5802 3.9868 3.9871 4.0689 4.2047 4.5822 4.7123 5.1435 5.2530 5.3642 5.5238 5.8136 5.8151 7.7952 7.8582 7.8687 7.8896 7.9011 7.9380 8.3171 8.3498 8.5460 8.5964 8.6942 8.7499 8.7789 8.7878 8.8705 8.8821 9.1821 9.1838 9.2824 9.2953 9.3542 9.3781 9.5451 9.5707 9.9873 9.9934 10.0221 10.0274 10.0985 10.1238 16.3060 16.3089 17.0804 17.2706 k = 0.4157 0.4188 0.4219 ( 2371 PWs) bands (ev): -3.6065 -3.6053 -3.5887 -3.5840 3.9524 3.9525 4.0362 4.1713 4.5783 4.7079 5.1667 5.2756 5.4280 5.5907 5.8866 5.8883 7.7981 7.8609 7.8634 7.8740 7.8789 7.9476 8.3036 8.3363 8.5260 8.5763 8.7097 8.7678 8.7893 8.8066 8.8832 8.8893 9.1797 9.1858 9.2866 9.2990 9.3513 9.3794 9.5371 9.5671 9.9956 10.0050 10.0576 10.0628 10.1294 10.1584 16.1688 16.1713 17.0430 17.2301 k = 0.4080 0.4110 0.4141 ( 2371 PWs) bands (ev): -3.6184 -3.6161 -3.5934 -3.5874 3.9212 3.9213 4.0056 4.1400 4.5739 4.7033 5.1906 5.2988 5.4933 5.6591 5.9583 5.9602 7.8006 7.8391 7.8480 7.8640 7.8893 7.9574 8.2914 8.3241 8.5054 8.5554 8.7253 8.7853 8.7979 8.8245 8.8956 8.8967 9.1773 9.1883 9.2891 9.3006 9.3472 9.3797 9.5318 9.5663 10.0017 10.0136 10.0939 10.0998 10.1690 10.1996 16.0320 16.0341 17.0037 17.1881 k = 0.4003 0.4033 0.4063 ( 2371 PWs) bands (ev): -3.6320 -3.6292 -3.5971 -3.5904 3.8937 3.8940 3.9772 4.1109 4.5695 4.6987 5.2148 5.3225 5.5596 5.7284 6.0280 6.0299 7.7986 7.8208 7.8231 7.8674 7.9002 7.9674 8.2812 8.3135 8.4845 8.5340 8.7405 8.8019 8.8051 8.8414 8.9043 8.9074 9.1749 9.1915 9.2900 9.3001 9.3417 9.3787 9.5297 9.5683 10.0064 10.0201 10.1312 10.1376 10.2160 10.2471 15.8971 15.8988 16.9627 17.1445 k = 0.3926 0.3955 0.3985 ( 2371 PWs) bands (ev): -3.6474 -3.6444 -3.6000 -3.5929 3.8702 3.8706 3.9510 4.0842 4.5652 4.6944 5.2395 5.3465 5.6263 5.7981 6.0947 6.0967 7.7837 7.7998 7.8172 7.8709 7.9114 7.9777 8.2730 8.3049 8.4636 8.5127 8.7552 8.8113 8.8172 8.8577 8.9123 8.9184 9.1725 9.1952 9.2893 9.2974 9.3348 9.3761 9.5309 9.5729 10.0103 10.0254 10.1692 10.1760 10.2694 10.3002 15.7657 15.7671 16.9200 17.0999 k = 0.3849 0.3878 0.3906 ( 2365 PWs) bands (ev): -3.6644 -3.6615 -3.6023 -3.5948 3.8510 3.8516 3.9272 4.0598 4.5612 4.6904 5.2644 5.3708 5.6930 5.8677 6.1578 6.1597 7.7644 7.7784 7.8202 7.8745 7.9231 7.9881 8.2674 8.2985 8.4430 8.4915 8.7694 8.8166 8.8308 8.8738 8.9207 8.9287 9.1702 9.1996 9.2873 9.2928 9.3265 9.3718 9.5353 9.5800 10.0137 10.0299 10.2080 10.2148 10.3280 10.3583 15.6392 15.6403 16.8754 17.0535 k = 0.3772 0.3800 0.3828 ( 2359 PWs) bands (ev): -3.6832 -3.6803 -3.6039 -3.5963 3.8364 3.8371 3.9057 4.0378 4.5577 4.6869 5.2895 5.3952 5.7592 5.9367 6.2164 6.2182 7.7461 7.7592 7.8242 7.8777 7.9350 7.9988 8.2645 8.2947 8.4225 8.4706 8.7828 8.8214 8.8424 8.8897 8.9295 8.9384 9.1680 9.2046 9.2842 9.2865 9.3168 9.3659 9.5427 9.5894 10.0167 10.0339 10.2475 10.2540 10.3906 10.4204 15.5191 15.5199 16.8286 17.0091 k = 0.3695 0.3723 0.3750 ( 2362 PWs) bands (ev): -3.7037 -3.7009 -3.6049 -3.5971 3.8264 3.8271 3.8867 4.0183 4.5547 4.6840 5.3146 5.4197 5.8244 6.0047 6.2699 6.2715 7.7299 7.7424 7.8284 7.8805 7.9473 8.0096 8.2645 8.2934 8.4025 8.4502 8.7955 8.8256 8.8521 8.9054 8.9386 8.9476 9.1661 9.2102 9.2787 9.2805 9.3057 9.3585 9.5528 9.6006 10.0195 10.0376 10.2875 10.2935 10.4564 10.4856 15.4067 15.4073 16.7786 16.9464 k = 0.3618 0.3645 0.3672 ( 2362 PWs) bands (ev): -3.7258 -3.7231 -3.6053 -3.5974 3.8212 3.8219 3.8701 4.0012 4.5525 4.6818 5.3397 5.4441 5.8883 6.0712 6.3177 6.3191 7.7161 7.7282 7.8324 7.8829 7.9598 8.0206 8.2676 8.2951 8.3829 8.4302 8.8076 8.8294 8.8600 8.9206 8.9480 8.9566 9.1647 9.2162 9.2697 9.2765 9.2935 9.3502 9.5652 9.6139 10.0221 10.0412 10.3281 10.3331 10.5242 10.5529 15.3032 15.3037 16.7237 16.8595 k = 0.3541 0.3568 0.3594 ( 2368 PWs) bands (ev): -3.7496 -3.7470 -3.6050 -3.5971 3.8208 3.8213 3.8562 3.9867 4.5509 4.6804 5.3647 5.4685 5.9504 6.1357 6.3592 6.3602 7.7051 7.7168 7.8360 7.8846 7.9725 8.0319 8.2739 8.2999 8.3640 8.4110 8.8190 8.8328 8.8666 8.9349 8.9575 8.9654 9.1639 9.2226 9.2596 9.2726 9.2800 9.3411 9.5797 9.6288 10.0245 10.0446 10.3692 10.3730 10.5928 10.6213 15.2100 15.2104 16.6602 16.7570 k = 0.3464 0.3490 0.3516 ( 2368 PWs) bands (ev): -3.7749 -3.7725 -3.6040 -3.5960 3.8250 3.8253 3.8454 3.9746 4.5501 4.6798 5.3895 5.4926 6.0103 6.1978 6.3939 6.3945 7.6970 7.7084 7.8392 7.8858 7.9854 8.0433 8.2834 8.3078 8.3458 8.3925 8.8299 8.8359 8.8721 8.9479 8.9674 8.9746 9.1642 9.2289 9.2487 9.2657 9.2698 9.3319 9.5962 9.6455 10.0269 10.0479 10.4106 10.4130 10.6613 10.6897 15.1285 15.1289 16.5821 16.6428 k = 0.3387 0.3412 0.3438 ( 2368 PWs) bands (ev): -3.8018 -3.7995 -3.6023 -3.5943 3.8287 3.8347 3.8418 3.9651 4.5501 4.6800 5.4141 5.5166 6.0677 6.2570 6.4214 6.4216 7.6918 7.7029 7.8421 7.8865 7.9985 8.0549 8.2959 8.3188 8.3284 8.3751 8.8388 8.8401 8.8769 8.9591 8.9776 8.9842 9.1658 9.2340 9.2369 9.2505 9.2690 9.3228 9.6146 9.6638 10.0291 10.0512 10.4524 10.4530 10.7282 10.7568 15.0599 15.0604 16.4860 16.5224 k = 0.3310 0.3335 0.3360 ( 2356 PWs) bands (ev): -3.8300 -3.8279 -3.5999 -3.5919 3.8253 3.8491 3.8527 3.9580 4.5510 4.6810 5.4383 5.5402 6.1221 6.3130 6.4415 6.4418 7.6898 7.7005 7.8447 7.8871 8.0119 8.0667 8.3108 8.3121 8.3327 8.3592 8.8416 8.8496 8.8813 8.9679 8.9885 8.9946 9.1690 9.2245 9.2347 9.2367 9.2718 9.3140 9.6350 9.6840 10.0313 10.0545 10.4930 10.4945 10.7927 10.8216 15.0055 15.0061 16.3761 16.3991 k = 0.3233 0.3257 0.3281 ( 2356 PWs) bands (ev): -3.8597 -3.8577 -3.5968 -3.5888 3.8216 3.8682 3.8712 3.9535 4.5527 4.6829 5.4621 5.5634 6.1732 6.3653 6.4539 6.4548 7.6900 7.7003 7.8470 7.8876 8.0252 8.0783 8.2967 8.3258 8.3466 8.3492 8.8443 8.8582 8.8855 8.9741 9.0001 9.0057 9.1740 9.2114 9.2185 9.2367 9.2784 9.3059 9.6574 9.7061 10.0334 10.0576 10.5329 10.5366 10.8532 10.8827 14.9663 14.9673 16.2589 16.2749 k = 0.3157 0.3180 0.3203 ( 2353 PWs) bands (ev): -3.8906 -3.8887 -3.5929 -3.5849 3.8199 3.8921 3.8949 3.9515 4.5552 4.6857 5.4855 5.5861 6.2208 6.4137 6.4592 6.4607 7.6924 7.7023 7.8492 7.8884 8.0386 8.0898 8.2823 8.3250 8.3531 8.3678 8.8470 8.8660 8.8896 8.9775 9.0126 9.0177 9.1799 9.1978 9.2030 9.2352 9.2877 9.2987 9.6821 9.7304 10.0353 10.0607 10.5726 10.5788 10.9089 10.9393 14.9436 14.9448 16.1387 16.1508 k = 0.3080 0.3102 0.3125 ( 2347 PWs) bands (ev): -3.9227 -3.9209 -3.5883 -3.5803 3.8204 3.9206 3.9234 3.9519 4.5586 4.6894 5.5083 5.6084 6.2645 6.4575 6.4578 6.4598 7.6965 7.7059 7.8517 7.8897 8.0520 8.1009 8.2692 8.3138 8.3728 8.3880 8.8499 8.8726 8.8940 8.9782 9.0265 9.0307 9.1782 9.1840 9.1967 9.2332 9.2924 9.2987 9.7094 9.7572 10.0371 10.0637 10.6120 10.6210 10.9588 10.9904 14.9378 14.9395 16.0177 16.0275 k = 0.3003 0.3025 0.3047 ( 2350 PWs) bands (ev): -3.9559 -3.9542 -3.5830 -3.5750 3.8233 3.9538 3.9548 3.9565 4.5628 4.6939 5.5305 5.6301 6.3039 6.4492 6.4526 6.4976 7.7018 7.7106 7.8544 7.8916 8.0653 8.1115 8.2573 8.3030 8.3944 8.4092 8.8528 8.8779 8.8987 8.9764 9.0418 9.0445 9.1634 9.1702 9.2050 9.2312 9.2870 9.3108 9.7395 9.7868 10.0387 10.0666 10.6509 10.6630 11.0024 11.0353 14.9494 14.9517 15.8973 15.9057 k = 0.2926 0.2947 0.2969 ( 2344 PWs) bands (ev): -3.9900 -3.9885 -3.5768 -3.5689 3.8285 3.9601 3.9914 3.9941 4.5679 4.6993 5.5522 5.6512 6.3385 6.4348 6.4400 6.5328 7.7077 7.7159 7.8577 7.8945 8.0784 8.1214 8.2469 8.2940 8.4166 8.4309 8.8560 8.8820 8.9037 8.9725 9.0587 9.0591 9.1464 9.1568 9.2170 9.2296 9.2827 9.3235 9.7732 9.8198 10.0402 10.0693 10.6894 10.7047 11.0392 11.0736 14.9782 14.9810 15.7786 15.7863 k = 0.2849 0.2870 0.2891 ( 2362 PWs) bands (ev): -4.0249 -4.0235 -3.5700 -3.5621 3.8361 3.9678 4.0332 4.0360 4.5739 4.7056 5.5731 5.6716 6.3661 6.4147 6.4245 6.5633 7.7135 7.7211 7.8616 7.8984 8.0911 8.1301 8.2379 8.2867 8.4383 8.4522 8.8592 8.8846 8.9088 8.9670 9.0738 9.0771 9.1292 9.1445 9.2283 9.2301 9.2792 9.3365 9.8103 9.8564 10.0412 10.0716 10.7271 10.7460 11.0689 11.1052 15.0228 15.0262 15.6633 15.6707 k = 0.2772 0.2792 0.2813 ( 2368 PWs) bands (ev): -4.0606 -4.0593 -3.5624 -3.5545 3.8460 3.9779 4.0793 4.0821 4.5806 4.7127 5.5933 5.6914 6.3748 6.3894 6.4188 6.5894 7.7189 7.7259 7.8664 7.9035 8.1034 8.1376 8.2307 8.2816 8.4594 8.4729 8.8624 8.8859 8.9136 8.9607 9.0873 9.0969 9.1123 9.1350 9.2276 9.2441 9.2766 9.3498 9.8517 9.8973 10.0421 10.0739 10.7642 10.7868 11.0921 11.1304 15.0793 15.0834 15.5552 15.5627 k = 0.2695 0.2714 0.2735 ( 2368 PWs) bands (ev): -4.0969 -4.0957 -3.5541 -3.5463 3.8581 3.9903 4.1294 4.1322 4.5881 4.7206 5.6128 5.7105 6.3546 6.3595 6.4332 6.6111 7.7236 7.7299 7.8722 7.9098 8.1150 8.1438 8.2256 8.2792 8.4793 8.4924 8.8654 8.8862 8.9167 8.9551 9.0953 9.0962 9.1179 9.1330 9.2274 9.2586 9.2747 9.3633 9.8975 9.9428 10.0427 10.0758 10.8004 10.8271 11.1091 11.1495 15.1354 15.1399 15.4661 15.4740 k = 0.2618 0.2637 0.2656 ( 2355 PWs) bands (ev): -4.1337 -4.1326 -3.5451 -3.5374 3.8724 4.0050 4.1833 4.1861 4.5964 4.7293 5.6317 5.7289 6.3232 6.3253 6.4508 6.6285 7.7273 7.7329 7.8789 7.9174 8.1254 8.1485 8.2230 8.2794 8.4978 8.5106 8.8679 8.8854 8.9161 8.9521 9.0815 9.0944 9.1399 9.1425 9.2277 9.2734 9.2736 9.3768 9.9481 9.9933 10.0429 10.0775 10.8358 10.8668 11.1207 11.1634 15.1533 15.1560 15.4332 15.4415 k = 0.2541 0.2559 0.2578 ( 2355 PWs) bands (ev): -4.1708 -4.1698 -3.5354 -3.5278 3.8889 4.0219 4.2408 4.2437 4.6055 4.7387 5.6497 5.7465 6.2864 6.2873 6.4660 6.6418 7.7296 7.7345 7.8866 7.9262 8.1343 8.1517 8.2231 8.2821 8.5144 8.5268 8.8693 8.8837 8.9103 8.9523 9.0687 9.0894 9.1581 9.1622 9.2282 9.2727 9.2881 9.3900 10.0033 10.0426 10.0488 10.0789 10.8700 10.9056 11.1275 11.1728 15.0981 15.0991 15.4261 15.4971 k = 0.2464 0.2482 0.2500 ( 2358 PWs) bands (ev): -4.2082 -4.2073 -3.5251 -3.5175 3.9075 4.0409 4.3018 4.3047 4.6152 4.7489 5.6668 5.7634 6.2457 6.2459 6.4781 6.6514 7.7304 7.7346 7.8954 7.9362 8.1414 8.1536 8.2263 8.2869 8.5290 8.5411 8.8692 8.8811 8.9007 8.9533 9.0593 9.0850 9.1758 9.1843 9.2290 9.2723 9.3024 9.4029 10.0420 10.0609 10.0823 10.1096 10.9030 10.9434 11.1306 11.1787 15.0032 15.0068 15.2570 15.3142 k = 0.2387 0.2404 0.2422 ( 2346 PWs) bands (ev): -4.2457 -4.2449 -3.5141 -3.5067 3.9281 4.0621 4.3659 4.3690 4.6257 4.7597 5.6833 5.7796 6.2015 6.2017 6.4871 6.6573 7.7297 7.7332 7.9052 7.9474 8.1468 8.1549 8.2327 8.2939 8.5420 8.5536 8.8673 8.8780 8.8890 8.9523 9.0549 9.0829 9.1941 9.2057 9.2305 9.2722 9.3165 9.4155 10.0408 10.0774 10.1311 10.1755 10.9347 10.9804 11.1310 11.1821 14.8967 14.9029 15.0775 15.1290 k = 0.2310 0.2327 0.2344 ( 2343 PWs) bands (ev): -4.2832 -4.2824 -3.5026 -3.4952 3.9507 4.0852 4.4330 4.4363 4.6368 4.7712 5.6991 5.7951 6.1544 6.1551 6.4930 6.6601 7.7272 7.7301 7.9159 7.9595 8.1505 8.1554 8.2418 8.3023 8.5531 8.5642 8.8633 8.8742 8.8761 8.9472 9.0560 9.0833 9.2121 9.2217 9.2368 9.2727 9.3301 9.4277 10.0391 10.0775 10.2001 10.2464 10.9648 11.0162 11.1295 11.1841 14.7842 14.7955 14.9005 14.9446 k = 0.2233 0.2249 0.2266 ( 2361 PWs) bands (ev): -4.3206 -4.3199 -3.4905 -3.4833 3.9751 4.1103 4.5026 4.5062 4.6487 4.7833 5.7139 5.8097 6.1050 6.1059 6.4960 6.6597 7.7235 7.7256 7.9274 7.9724 8.1530 8.1555 8.2530 8.3120 8.5623 8.5729 8.8571 8.8622 8.8699 8.9382 9.0619 9.0859 9.2255 9.2285 9.2541 9.2743 9.3431 9.4393 10.0368 10.0764 10.2737 10.3216 10.9931 11.0508 11.1270 11.1856 14.6609 14.6871 14.7350 14.7619 k = 0.2156 0.2172 0.2188 ( 2361 PWs) bands (ev): -4.3577 -4.3571 -3.4779 -3.4708 4.0014 4.1373 4.5742 4.5788 4.6616 4.7960 5.7279 5.8236 6.0536 6.0548 6.4964 6.6567 7.7185 7.7200 7.9399 7.9863 8.1553 8.1559 8.2660 8.3227 8.5703 8.5802 8.8478 8.8491 8.8653 8.9263 9.0720 9.0912 9.2254 9.2411 9.2744 9.2794 9.3555 9.4504 10.0339 10.0745 10.3512 10.4010 11.0195 11.0842 11.1244 11.1876 14.5110 14.5790 14.5814 14.5986 k = 0.2079 0.2094 0.2109 ( 2358 PWs) bands (ev): -4.3945 -4.3940 -3.4649 -3.4579 4.0294 4.1660 4.6442 4.6536 4.6789 4.8092 5.7412 5.8369 6.0008 6.0020 6.4943 6.6513 7.7124 7.7132 7.9531 8.0009 8.1565 8.1575 8.2803 8.3343 8.5770 8.5861 8.8332 8.8393 8.8603 8.9127 9.0846 9.0986 9.2239 9.2474 9.2904 9.2947 9.3672 9.4610 10.0304 10.0717 10.4319 10.4840 11.0436 11.1163 11.1223 11.1912 14.3438 14.4037 14.4715 14.4828 k = 0.2002 0.2016 0.2031 ( 2352 PWs) bands (ev): -4.4309 -4.4304 -3.4514 -3.4446 4.0589 4.1964 4.6803 4.7302 4.7322 4.8228 5.7536 5.8495 5.9470 5.9481 6.4900 6.6437 7.7053 7.7055 7.9672 8.0161 8.1577 8.1600 8.2957 8.3466 8.5826 8.5908 8.8183 8.8282 8.8552 8.8979 9.0988 9.1074 9.2214 9.2484 9.3060 9.3147 9.3782 9.4710 10.0263 10.0682 10.5152 10.5697 11.0652 11.1214 11.1471 11.1969 14.1745 14.2291 14.3649 14.3733 k = 0.1925 0.1939 0.1953 ( 2352 PWs) bands (ev): -4.4667 -4.4663 -3.4376 -3.4310 4.0899 4.2283 4.6958 4.8081 4.8085 4.8368 5.7648 5.8615 5.8929 5.8934 6.4837 6.6341 7.6969 7.6973 7.9819 8.0316 8.1593 8.1627 8.3118 8.3594 8.5871 8.5945 8.8032 8.8161 8.8499 8.8825 9.1140 9.1170 9.2177 9.2467 9.3237 9.3343 9.3885 9.4804 10.0216 10.0639 10.6004 10.6576 11.0842 11.1220 11.1764 11.2053 14.0072 14.0582 14.2594 14.2665 k = 0.1848 0.1861 0.1875 ( 2358 PWs) bands (ev): -4.5019 -4.5015 -3.4235 -3.4170 4.1223 4.2617 4.7098 4.8511 4.8868 4.8879 5.7730 5.8383 5.8408 5.8728 6.4755 6.6228 7.6876 7.6885 7.9970 8.0473 8.1617 8.1658 8.3287 8.3725 8.5908 8.5973 8.7881 8.8032 8.8445 8.8667 9.1269 9.1296 9.2128 9.2436 9.3421 9.3534 9.3979 9.4893 10.0163 10.0587 10.6870 10.7470 11.1010 11.1246 11.2043 11.2165 13.8431 13.8911 14.1550 14.1615 k = 0.1771 0.1784 0.1797 ( 2346 PWs) bands (ev): -4.5363 -4.5359 -3.4092 -3.4029 4.1560 4.2964 4.7236 4.8656 4.9666 4.9681 5.7629 5.7836 5.8068 5.8837 6.4658 6.6099 7.6778 7.6793 8.0128 8.0631 8.1650 8.1694 8.3464 8.3862 8.5939 8.5994 8.7732 8.7899 8.8392 8.8508 9.1365 9.1456 9.2068 9.2401 9.3609 9.3721 9.4067 9.4977 10.0106 10.0530 10.7743 10.8374 11.1162 11.1297 11.2302 11.2307 13.6830 13.7284 14.0517 14.0581 k = 0.1694 0.1706 0.1719 ( 2346 PWs) bands (ev): -4.5699 -4.5695 -3.3947 -3.3886 4.1906 4.3322 4.7372 4.8803 5.0464 5.0482 5.7181 5.7299 5.8079 5.8941 6.4546 6.5956 7.6676 7.6696 8.0289 8.0785 8.1694 8.1733 8.3644 8.4000 8.5964 8.6008 8.7583 8.7760 8.8339 8.8347 9.1447 9.1615 9.1996 9.2368 9.3795 9.3902 9.4147 9.5056 10.0044 10.0465 10.8617 10.9280 11.1308 11.1373 11.2457 11.2556 13.5274 13.5703 13.9496 13.9561 k = 0.1617 0.1629 0.1641 ( 2358 PWs) bands (ev): -4.6025 -4.6022 -3.3801 -3.3742 4.2263 4.3690 4.7508 4.8951 5.1249 5.1272 5.6671 5.6782 5.8164 5.9039 6.4420 6.5801 7.6571 7.6595 8.0453 8.0933 8.1751 8.1776 8.3829 8.4139 8.5981 8.6015 8.7435 8.7618 8.8183 8.8287 9.1505 9.1770 9.1913 9.2346 9.3979 9.4077 9.4218 9.5131 9.9977 10.0394 10.9484 11.0181 11.1454 11.1477 11.2622 11.2791 13.3767 13.4171 13.8487 13.8555 k = 0.1540 0.1551 0.1563 ( 2358 PWs) bands (ev): -4.6342 -4.6339 -3.3655 -3.3597 4.2626 4.4067 4.7642 4.9099 5.2002 5.2032 5.6186 5.6309 5.8263 5.9135 6.4284 6.5635 7.6466 7.6493 8.0621 8.1073 8.1824 8.1826 8.4018 8.4278 8.5995 8.6018 8.7293 8.7474 8.8021 8.8238 9.1531 9.1818 9.1922 9.2347 9.4159 9.4244 9.4282 9.5203 9.9908 10.0318 11.0338 11.1071 11.1609 11.1614 11.2795 11.3011 13.2314 13.2694 13.7490 13.7562 k = 0.1463 0.1474 0.1484 ( 2361 PWs) bands (ev): -4.6648 -4.6645 -3.3509 -3.3454 4.2996 4.4451 4.7772 4.9246 5.2676 5.2720 5.5774 5.5924 5.8367 5.9228 6.4137 6.5460 7.6360 7.6390 8.0789 8.1200 8.1876 8.1918 8.4208 8.4415 8.6005 8.6016 8.7155 8.7330 8.7860 8.8193 9.1515 9.1713 9.2070 9.2377 9.4333 9.4339 9.4401 9.5274 9.9836 10.0238 11.1160 11.1776 11.1795 11.1944 11.2971 11.3219 13.0919 13.1274 13.6505 13.6582 k = 0.1386 0.1396 0.1406 ( 2361 PWs) bands (ev): -4.6942 -4.6940 -3.3364 -3.3311 4.3370 4.4840 4.7898 4.9391 5.3170 5.3228 5.5543 5.5728 5.8476 5.9319 6.3982 6.5276 7.6255 7.6288 8.0960 8.1315 8.1934 8.2031 8.4398 8.4549 8.6010 8.6012 8.7025 8.7185 8.7699 8.8153 9.1460 9.1598 9.2212 9.2433 9.4390 9.4501 9.4547 9.5345 9.9763 10.0154 11.1819 11.1957 11.2147 11.2783 11.3149 11.3425 12.9588 12.9916 13.5531 13.5614 k = 0.1309 0.1318 0.1328 ( 2367 PWs) bands (ev): -4.7224 -4.7222 -3.3221 -3.3171 4.3745 4.5231 4.8019 4.9534 5.3337 5.3384 5.5662 5.5867 5.8593 5.9409 6.3820 6.5085 7.6151 7.6186 8.1132 8.1419 8.1997 8.2163 8.4583 8.4676 8.5998 8.6014 8.6904 8.7041 8.7539 8.8118 9.1374 9.1473 9.2346 9.2506 9.4434 9.4659 9.4677 9.5418 9.9690 10.0068 11.2121 11.2151 11.2857 11.3330 11.3457 11.3754 12.8325 12.8626 13.4568 13.4659 k = 0.1232 0.1241 0.1250 ( 2373 PWs) bands (ev): -4.7493 -4.7492 -3.3081 -3.3033 4.4120 4.5624 4.8131 4.9672 5.3184 5.3195 5.6117 5.6333 5.8726 5.9498 6.3653 6.4887 7.6049 7.6086 8.1304 8.1516 8.2065 8.2308 8.4760 8.4794 8.5980 8.6012 8.6797 8.6897 8.7380 8.8091 9.1264 9.1341 9.2474 9.2588 9.4472 9.4792 9.4807 9.5493 9.9616 9.9981 11.2358 11.2383 11.3517 11.3603 11.3696 11.4470 12.7139 12.7410 13.3617 13.3716 k = 0.1155 0.1163 0.1172 ( 2373 PWs) bands (ev): -4.7749 -4.7748 -3.2944 -3.2899 4.4492 4.6016 4.8234 4.9805 5.2846 5.2871 5.6712 5.6966 5.8886 5.9588 6.3482 6.4684 7.5951 7.5988 8.1476 8.1611 8.2140 8.2465 8.4900 8.4921 8.5958 8.6008 8.6710 8.6754 8.7224 8.8073 9.1139 9.1203 9.2595 9.2676 9.4506 9.4891 9.4943 9.5572 9.9544 9.9894 11.2572 11.2664 11.3714 11.3853 11.4317 11.5213 12.6036 12.6275 13.2677 13.2786 k = 0.1078 0.1086 0.1094 ( 2367 PWs) bands (ev): -4.7991 -4.7990 -3.2812 -3.2769 4.4860 4.6404 4.8325 4.9933 5.2445 5.2502 5.7314 5.7658 5.9096 5.9679 6.3310 6.4476 7.5856 7.5894 8.1647 8.1706 8.2220 8.2628 8.4991 8.5057 8.5931 8.6001 8.6616 8.6652 8.7073 8.8067 9.1001 9.1060 9.2709 9.2764 9.4537 9.4974 9.5067 9.5653 9.9474 9.9807 11.2788 11.2972 11.3928 11.3990 11.4981 11.5913 12.5030 12.5234 13.1749 13.1868 k = 0.1001 0.1008 0.1016 ( 2367 PWs) bands (ev): -4.8218 -4.8217 -3.2684 -3.2644 4.5219 4.6787 4.8402 5.0052 5.2037 5.2125 5.7842 5.8360 5.9394 5.9771 6.3140 6.4265 7.5764 7.5802 8.1804 8.1816 8.2307 8.2795 8.5062 8.5155 8.5894 8.5987 8.6479 8.6626 8.6930 8.8074 9.0853 9.0913 9.2814 9.2850 9.4565 9.5043 9.5176 9.5732 9.9407 9.9722 11.2997 11.3307 11.4112 11.4167 11.5580 11.6548 12.4135 12.4301 13.0832 13.0963 k = 0.0924 0.0931 0.0938 ( 2376 PWs) bands (ev): -4.8430 -4.8430 -3.2562 -3.2525 4.5567 4.7162 4.8461 5.0163 5.1640 5.1762 5.8243 5.9045 5.9811 5.9867 6.2976 6.4050 7.5677 7.5715 8.1908 8.1983 8.2401 8.2964 8.5110 8.5206 8.5847 8.5967 8.6345 8.6615 8.6824 8.8094 9.0699 9.0763 9.2911 9.2931 9.4591 9.5101 9.5267 9.5806 9.9341 9.9638 11.3191 11.3669 11.4222 11.4440 11.6093 11.7095 12.3372 12.3503 12.9927 13.0070 k = 0.0847 0.0853 0.0859 ( 2382 PWs) bands (ev): -4.8627 -4.8627 -3.2447 -3.2412 4.5901 4.7527 4.8498 5.0264 5.1265 5.1426 5.8524 5.9693 5.9966 6.0329 6.2826 6.3833 7.5593 7.5630 8.2019 8.2148 8.2500 8.3132 8.5135 8.5210 8.5789 8.5940 8.6217 8.6542 8.6834 8.8131 9.0540 9.0613 9.3000 9.3008 9.4616 9.5152 9.5341 9.5872 9.9281 9.9557 11.3365 11.4059 11.4321 11.4753 11.6493 11.7515 12.2772 12.2878 12.9035 12.9191 k = 0.0770 0.0776 0.0781 ( 2382 PWs) bands (ev): -4.8808 -4.8808 -3.2339 -3.2307 4.6217 4.7879 4.8512 5.0353 5.0919 5.1124 5.8732 6.0071 6.0278 6.0896 6.2707 6.3614 7.5514 7.5549 8.2140 8.2309 8.2607 8.3299 8.5136 8.5175 8.5722 8.5905 8.6096 8.6417 8.6942 8.8184 9.0379 9.0465 9.3080 9.3081 9.4642 9.5199 9.5398 9.5927 9.9226 9.9480 11.3520 11.4412 11.4476 11.5107 11.6748 11.7763 12.2368 12.2475 12.8155 12.8325 k = 0.0693 0.0698 0.0703 ( 2382 PWs) bands (ev): -4.8973 -4.8973 -3.2238 -3.2209 4.6512 4.8217 4.8499 5.0430 5.0608 5.0863 5.8901 6.0181 6.0763 6.1468 6.2650 6.3395 7.5440 7.5473 8.2270 8.2467 8.2721 8.3462 8.5113 8.5115 8.5644 8.5860 8.5982 8.6282 8.7093 8.8253 9.0215 9.0319 9.3146 9.3153 9.4670 9.5244 9.5435 9.5969 9.9176 9.9407 11.3658 11.4495 11.4919 11.5501 11.6838 11.7803 12.2184 12.2330 12.7289 12.7474 k = 0.0616 0.0620 0.0625 ( 2388 PWs) bands (ev): -4.9122 -4.9121 -3.2146 -3.2120 4.6782 4.8459 4.8537 5.0336 5.0492 5.0643 5.9053 6.0297 6.1085 6.2018 6.2710 6.3175 7.5370 7.5400 8.2409 8.2620 8.2838 8.3619 8.5037 8.5069 8.5556 8.5803 8.5875 8.6149 8.7267 8.8334 9.0052 9.0177 9.3206 9.3218 9.4700 9.5289 9.5454 9.5995 9.9131 9.9339 11.3782 11.4574 11.5384 11.5932 11.6775 11.7653 12.2210 12.2428 12.6437 12.6639 k = 0.0539 0.0543 0.0547 ( 2382 PWs) bands (ev): -4.9253 -4.9253 -3.2063 -3.2041 4.7021 4.8395 4.8838 5.0109 5.0463 5.0538 5.9199 6.0422 6.1212 6.2531 6.2918 6.2957 7.5309 7.5337 8.2559 8.2768 8.2961 8.3769 8.4954 8.5006 8.5461 8.5735 8.5774 8.6020 8.7453 8.8427 8.9888 9.0040 9.3261 9.3275 9.4735 9.5335 9.5456 9.6007 9.9092 9.9276 11.3897 11.4651 11.5855 11.6397 11.6616 11.7380 12.2407 12.2703 12.5600 12.5821 k = 0.0462 0.0465 0.0469 ( 2352 PWs) bands (ev): -4.9368 -4.9367 -3.1990 -3.1970 4.7227 4.8313 4.9119 4.9930 5.0319 5.0566 5.9344 6.0554 6.1188 6.2742 6.2997 6.3223 7.5254 7.5278 8.2719 8.2910 8.3086 8.3907 8.4872 8.4933 8.5363 8.5658 8.5681 8.5900 8.7645 8.8530 8.9728 8.9910 9.3309 9.3324 9.4779 9.5389 9.5444 9.6008 9.9062 9.9221 11.4007 11.4729 11.6148 11.6595 11.6895 11.7051 12.2723 12.3091 12.4779 12.5026 k = 0.0385 0.0388 0.0391 ( 2349 PWs) bands (ev): -4.9465 -4.9465 -3.1927 -3.1910 4.7396 4.8220 4.9377 4.9803 5.0202 5.0576 5.9489 6.0694 6.1084 6.2527 6.3406 6.3545 7.5205 7.5226 8.2884 8.3044 8.3204 8.4021 8.4795 8.4857 8.5259 8.5569 8.5597 8.5787 8.7837 8.8637 8.9566 8.9784 9.3350 9.3365 9.4824 9.5415 9.5442 9.5991 9.9036 9.9170 11.4117 11.4810 11.5969 11.6712 11.7045 11.7422 12.3098 12.3543 12.3976 12.4270 k = 0.0308 0.0310 0.0313 ( 2361 PWs) bands (ev): -4.9545 -4.9545 -3.1875 -3.1861 4.7528 4.8126 4.9611 4.9726 5.0103 5.0565 5.9637 6.0842 6.0942 6.2316 6.3750 6.3839 7.5164 7.5181 8.3056 8.3166 8.3314 8.4094 8.4730 8.4799 8.5150 8.5471 8.5526 8.5685 8.8026 8.8746 8.9404 8.9660 9.3384 9.3397 9.4874 9.5371 9.5498 9.5960 9.9015 9.9123 11.4229 11.4898 11.5704 11.6389 11.7605 11.7976 12.3193 12.3253 12.3808 12.4035 k = 0.0231 0.0233 0.0234 ( 2358 PWs) bands (ev): -4.9607 -4.9607 -3.1833 -3.1823 4.7627 4.8035 4.9697 4.9819 5.0017 5.0532 5.9791 6.0782 6.0999 6.2109 6.4026 6.4083 7.5132 7.5145 8.3233 8.3278 8.3407 8.4101 8.4687 8.4790 8.5040 8.5367 8.5472 8.5598 8.8213 8.8859 8.9242 8.9541 9.3411 9.3421 9.4930 9.5318 9.5557 9.5918 9.9004 9.9084 11.4350 11.4999 11.5445 11.6095 11.8201 11.8554 12.2432 12.2646 12.4167 12.4552 k = 0.0154 0.0155 0.0156 ( 2361 PWs) bands (ev): -4.9652 -4.9651 -3.1803 -3.1796 4.7702 4.7954 4.9706 4.9938 5.0002 5.0476 5.9948 6.0615 6.1165 6.1907 6.4228 6.4262 7.5108 7.5116 8.3372 8.3412 8.3472 8.4032 8.4672 8.4839 8.4931 8.5257 8.5439 8.5526 8.8396 8.8972 8.9080 8.9426 9.3431 9.3438 9.4990 9.5256 9.5619 9.5866 9.8999 9.9053 11.4482 11.5116 11.5205 11.5835 11.8819 11.9148 12.1703 12.1948 12.4674 12.5090 k = 0.0077 0.0078 0.0078 ( 2361 PWs) bands (ev): -4.9678 -4.9678 -3.1784 -3.1780 4.7763 4.7883 4.9743 4.9865 5.0159 5.0396 6.0111 6.0446 6.1339 6.1710 6.4354 6.4370 7.5094 7.5099 8.3446 8.3501 8.3588 8.3909 8.4693 8.4831 8.4926 8.5144 8.5428 8.5472 8.8573 8.8914 8.9086 8.9312 9.3444 9.3447 9.5055 9.5190 9.5683 9.5809 9.9001 9.9028 11.4631 11.4989 11.5254 11.5610 11.9442 11.9724 12.1038 12.1279 12.5218 12.5644 k = 0.0000 0.0000 0.0000 ( 2355 PWs) bands (ev): -4.9687 -4.9687 -3.1776 -3.1776 4.7821 4.7821 4.9799 4.9799 5.0291 5.0291 6.0277 6.0277 6.1521 6.1521 6.4402 6.4402 7.5091 7.5091 8.3491 8.3491 8.3757 8.3757 8.4748 8.4748 8.5033 8.5033 8.5439 8.5439 8.8746 8.8746 8.9199 8.9199 9.3450 9.3450 9.5123 9.5123 9.5747 9.5747 9.9012 9.9012 11.4799 11.4799 11.5417 11.5417 11.9949 11.9949 12.0770 12.0770 12.5789 12.5789 k = 0.0000 0.0000 0.0000 ( 2355 PWs) bands (ev): -4.9687 -4.9687 -3.1776 -3.1776 4.7821 4.7821 4.9799 4.9799 5.0291 5.0291 6.0277 6.0277 6.1521 6.1521 6.4402 6.4402 7.5091 7.5091 8.3491 8.3491 8.3757 8.3757 8.4748 8.4748 8.5033 8.5033 8.5439 8.5439 8.8746 8.8746 8.9199 8.9199 9.3450 9.3450 9.5123 9.5123 9.5747 9.5747 9.9012 9.9012 11.4799 11.4799 11.5417 11.5417 11.9949 11.9949 12.0770 12.0770 12.5789 12.5789 k = 0.0094-0.0094 0.0000 ( 2361 PWs) bands (ev): -4.9679 -4.9679 -3.1782 -3.1780 4.7777 4.7857 4.9751 4.9835 5.0295 5.0295 6.0237 6.0285 6.1505 6.1506 6.4372 6.4434 7.5088 7.5098 8.3427 8.3488 8.3770 8.3772 8.4682 8.4753 8.5010 8.5016 8.5440 8.5553 8.8749 8.8757 8.9208 8.9208 9.3439 9.3462 9.5105 9.5124 9.5736 9.5737 9.9024 9.9032 11.4761 11.4769 11.5381 11.5383 11.9960 11.9969 12.0718 12.0784 12.5827 12.5885 k = 0.0189-0.0187 0.0000 ( 2365 PWs) bands (ev): -4.9653 -4.9653 -3.1798 -3.1795 4.7722 4.7883 4.9692 4.9863 5.0309 5.0311 6.0167 6.0259 6.1456 6.1462 6.4348 6.4471 7.5089 7.5109 8.3316 8.3434 8.3794 8.3797 8.4580 8.4664 8.5007 8.5008 8.5536 8.5712 8.8767 8.8784 8.9234 8.9235 9.3431 9.3477 9.5070 9.5107 9.5707 9.5708 9.9068 9.9085 11.4655 11.4660 11.5274 11.5292 11.9991 12.0037 12.0648 12.0751 12.5966 12.6096 k = 0.0283-0.0281 0.0000 ( 2363 PWs) bands (ev): -4.9610 -4.9610 -3.1825 -3.1820 4.7656 4.7896 4.9624 4.9882 5.0334 5.0341 6.0066 6.0192 6.1378 6.1398 6.4328 6.4514 7.5093 7.5124 8.3176 8.3357 8.3802 8.3808 8.4466 8.4523 8.5028 8.5053 8.5665 8.5878 8.8801 8.8825 8.9279 8.9280 9.3425 9.3493 9.5018 9.5070 9.5664 9.5667 9.9141 9.9167 11.4454 11.4465 11.5116 11.5167 12.0019 12.0176 12.0614 12.0673 12.6168 12.6361 k = 0.0377-0.0375 0.0000 ( 2363 PWs) bands (ev): -4.9551 -4.9550 -3.1861 -3.1855 4.7572 4.7892 4.9550 4.9896 5.0373 5.0385 5.9928 6.0076 6.1276 6.1323 6.4313 6.4559 7.5103 7.5143 8.3018 8.3265 8.3767 8.3800 8.4361 8.4391 8.5071 8.5123 8.5798 8.6035 8.8849 8.8878 8.9340 8.9342 9.3420 9.3509 9.4946 9.5010 9.5612 9.5620 9.9237 9.9272 11.4143 11.4173 11.4935 11.5026 11.9978 12.0389 12.0571 12.0707 12.6424 12.6652 k = 0.0472-0.0468 0.0000 ( 2369 PWs) bands (ev): -4.9474 -4.9474 -3.1908 -3.1900 4.7467 4.7859 4.9481 4.9908 5.0428 5.0444 5.9749 5.9903 6.1157 6.1244 6.4303 6.4606 7.5116 7.5166 8.2848 8.3159 8.3682 8.3762 8.4280 8.4300 8.5131 8.5205 8.5924 8.6180 8.8910 8.8944 8.9416 8.9418 9.3415 9.3523 9.4855 9.4925 9.5557 9.5573 9.9351 9.9394 11.3737 11.3777 11.4753 11.4874 11.9849 12.0358 12.0778 12.0965 12.6734 12.6974 k = 0.0566-0.0562 0.0000 ( 2373 PWs) bands (ev): -4.9381 -4.9380 -3.1964 -3.1954 4.7336 4.7787 4.9429 4.9921 5.0501 5.0519 5.9522 5.9669 6.1030 6.1170 6.4297 6.4656 7.5132 7.5192 8.2672 8.3039 8.3563 8.3696 8.4225 8.4250 8.5206 8.5293 8.6041 8.6310 8.8985 8.9021 8.9507 8.9508 9.3408 9.3532 9.4745 9.4818 9.5505 9.5531 9.9475 9.9527 11.3255 11.3296 11.4571 11.4709 11.9671 12.0167 12.1215 12.1358 12.7095 12.7333 k = 0.0660-0.0656 0.0000 ( 2375 PWs) bands (ev): -4.9271 -4.9271 -3.2029 -3.2018 4.7174 4.7665 4.9405 4.9941 5.0590 5.0610 5.9241 5.9373 6.0904 6.1102 6.4295 6.4709 7.5153 7.5221 8.2494 8.2902 8.3438 8.3611 8.4189 8.4222 8.5290 8.5386 8.6147 8.6427 8.9071 8.9108 8.9611 8.9611 9.3398 9.3536 9.4622 9.4694 9.5457 9.5495 9.9606 9.9668 11.2719 11.2754 11.4388 11.4529 11.9468 11.9944 12.1755 12.1862 12.7502 12.7727 k = 0.0755-0.0749 0.0000 ( 2381 PWs) bands (ev): -4.9145 -4.9144 -3.2104 -3.2092 4.6978 4.7488 4.9416 4.9974 5.0697 5.0716 5.8904 5.9017 6.0784 6.1041 6.4298 6.4762 7.5176 7.5253 8.2319 8.2749 8.3323 8.3520 8.4162 8.4204 8.5381 8.5479 8.6243 8.6532 8.9168 8.9204 8.9722 8.9725 9.3382 9.3531 9.4488 9.4556 9.5412 9.5462 9.9737 9.9809 11.2144 11.2170 11.4202 11.4336 11.9253 11.9698 12.2385 12.2461 12.7951 12.8157 k = 0.0849-0.0843 0.0000 ( 2379 PWs) bands (ev): -4.9002 -4.9002 -3.2188 -3.2174 4.6747 4.7257 4.9462 5.0022 5.0819 5.0837 5.8512 5.8608 6.0672 6.0985 6.4305 6.4816 7.5203 7.5288 8.2151 8.2586 8.3226 8.3428 8.4138 8.4192 8.5478 8.5572 8.6331 8.6628 8.9274 8.9310 8.9840 8.9849 9.3361 9.3515 9.4349 9.4411 9.5371 9.5433 9.9863 9.9946 11.1544 11.1558 11.4017 11.4134 11.9028 11.9436 12.3095 12.3143 12.8440 12.8621 k = 0.0943-0.0937 0.0000 ( 2383 PWs) bands (ev): -4.8844 -4.8844 -3.2280 -3.2265 4.6481 4.6978 4.9539 5.0086 5.0958 5.0973 5.8068 5.8149 6.0569 6.0933 6.4316 6.4870 7.5232 7.5326 8.1991 8.2417 8.3144 8.3337 8.4113 8.4179 8.5579 8.5663 8.6412 8.6716 8.9388 8.9421 8.9963 8.9978 9.3329 9.3486 9.4209 9.4263 9.5335 9.5406 9.9979 10.0073 11.0926 11.0929 11.3834 11.3925 11.8798 11.9159 12.3874 12.3898 12.8964 12.9118 k = 0.1038-0.1030 0.0000 ( 2387 PWs) bands (ev): -4.8670 -4.8670 -3.2380 -3.2364 4.6181 4.6657 4.9643 5.0167 5.1111 5.1123 5.7577 5.7646 6.0474 6.0883 6.4330 6.4924 7.5263 7.5365 8.1841 8.2250 8.3075 8.3252 8.4086 8.4166 8.5683 8.5752 8.6487 8.6799 8.9507 8.9538 9.0087 9.0112 9.3286 9.3440 9.4074 9.4119 9.5302 9.5380 10.0081 10.0187 11.0289 11.0298 11.3656 11.3716 11.8564 11.8872 12.4711 12.4712 12.9523 12.9648 k = 0.1132-0.1124 0.0000 ( 2385 PWs) bands (ev): -4.8481 -4.8481 -3.2488 -3.2470 4.5850 4.6300 4.9767 5.0264 5.1279 5.1287 5.7043 5.7104 6.0387 6.0836 6.4348 6.4977 7.5297 7.5407 8.1704 8.2088 8.3018 8.3172 8.4056 8.4152 8.5789 8.5840 8.6561 8.6879 8.9630 8.9660 9.0211 9.0248 9.3230 9.3376 9.3952 9.3985 9.5272 9.5356 10.0164 10.0282 10.9645 10.9665 11.3488 11.3511 11.8326 11.8578 12.5575 12.5595 13.0115 13.0210 k = 0.1226-0.1217 0.0000 ( 2379 PWs) bands (ev): -4.8277 -4.8277 -3.2603 -3.2584 4.5490 4.5914 4.9909 5.0376 5.1462 5.1464 5.6473 5.6529 6.0308 6.0790 6.4368 6.5031 7.5333 7.5450 8.1578 8.1933 8.2969 8.3099 8.4023 8.4137 8.5899 8.5927 8.6633 8.6959 8.9755 8.9783 9.0333 9.0385 9.3158 9.3294 9.3843 9.3865 9.5247 9.5333 10.0223 10.0354 10.8999 10.9030 11.3315 11.3332 11.8086 11.8277 12.6473 12.6513 13.0740 13.0805 k = 0.1321-0.1311 0.0000 ( 2375 PWs) bands (ev): -4.8059 -4.8058 -3.2725 -3.2705 4.5104 4.5502 5.0065 5.0498 5.1653 5.1657 5.5871 5.5925 6.0234 6.0746 6.4391 6.5083 7.5370 7.5495 8.1464 8.1785 8.2928 8.3030 8.3985 8.4120 8.6010 8.6014 8.6707 8.7038 8.9878 8.9907 9.0450 9.0518 9.3070 9.3197 9.3748 9.3762 9.5226 9.5313 10.0256 10.0398 10.8353 10.8395 11.3133 11.3193 11.7843 11.7973 12.7393 12.7451 13.1395 13.1431 k = 0.1415-0.1405 0.0000 ( 2368 PWs) bands (ev): -4.7827 -4.7826 -3.2853 -3.2832 4.4695 4.5068 5.0231 5.0629 5.1852 5.1865 5.5245 5.5299 6.0166 6.0704 6.4417 6.5135 7.5409 7.5540 8.1361 8.1645 8.2893 8.2967 8.3946 8.4104 8.6099 8.6125 8.6782 8.7118 8.9996 9.0028 9.0560 9.0647 9.2969 9.3093 9.3663 9.3676 9.5211 9.5296 10.0258 10.0412 10.7711 10.7762 11.2968 11.3072 11.7600 11.7667 12.8319 12.8394 13.2082 13.2090 k = 0.1509-0.1498 0.0000 ( 2366 PWs) bands (ev): -4.7581 -4.7580 -3.2987 -3.2965 4.4266 4.4615 5.0403 5.0760 5.2057 5.2083 5.4605 5.4662 6.0104 6.0664 6.4444 6.5185 7.5447 7.5585 8.1267 8.1511 8.2864 8.2909 8.3904 8.4087 8.6185 8.6242 8.6861 8.7200 9.0107 9.0144 9.0662 9.0770 9.2862 9.2989 9.3584 9.3604 9.5201 9.5283 10.0227 10.0391 10.7072 10.7133 11.2823 11.2972 11.7356 11.7360 12.9235 12.9327 13.2781 13.2799 k = 0.1604-0.1592 0.0000 ( 2370 PWs) bands (ev): -4.7322 -4.7321 -3.3126 -3.3104 4.3821 4.4147 5.0573 5.0881 5.2257 5.2305 5.3971 5.4032 6.0046 6.0626 6.4473 6.5235 7.5485 7.5630 8.1180 8.1383 8.2840 8.2856 8.3860 8.4072 8.6270 8.6361 8.6944 8.7285 9.0205 9.0251 9.0752 9.0882 9.2755 9.2894 9.3509 9.3544 9.5197 9.5274 10.0161 10.0333 10.6439 10.6508 11.2700 11.2894 11.7054 11.7112 13.0125 13.0232 13.3503 13.3545 k = 0.1698-0.1686 0.0000 ( 2360 PWs) bands (ev): -4.7051 -4.7050 -3.3269 -3.3247 4.3362 4.3667 5.0725 5.0965 5.2407 5.2515 5.3408 5.3456 5.9994 6.0590 6.4505 6.5284 7.5525 7.5676 8.1102 8.1260 8.2810 8.2823 8.3818 8.4059 8.6356 8.6484 8.7033 8.7374 9.0288 9.0346 9.0831 9.0986 9.2656 9.2814 9.3437 9.3494 9.5202 9.5273 10.0061 10.0239 10.5812 10.5889 11.2600 11.2838 11.6751 11.6870 13.0971 13.1093 13.4254 13.4319 k = 0.1792-0.1779 0.0000 ( 2362 PWs) bands (ev): -4.6768 -4.6767 -3.3417 -3.3394 4.2891 4.3176 5.0814 5.0950 5.2325 5.2593 5.3113 5.3143 5.9946 6.0556 6.4538 6.5333 7.5562 7.5719 8.1027 8.1140 8.2768 8.2809 8.3777 8.4049 8.6442 8.6608 8.7126 8.7465 9.0348 9.0422 9.0894 9.1076 9.2573 9.2756 9.3366 9.3450 9.5216 9.5279 9.9924 10.0106 10.5192 10.5276 11.2524 11.2803 11.6452 11.6631 13.1758 13.1894 13.5035 13.5120 k = 0.1887-0.1873 0.0000 ( 2362 PWs) bands (ev): -4.6474 -4.6473 -3.3569 -3.3545 4.2412 4.2678 5.0714 5.0727 5.2057 5.2439 5.3217 5.3255 5.9903 6.0525 6.4574 6.5381 7.5599 7.5762 8.0955 8.1021 8.2732 8.2800 8.3739 8.4043 8.6528 8.6734 8.7226 8.7560 9.0384 9.0474 9.0944 9.1155 9.2511 9.2722 9.3297 9.3413 9.5240 9.5294 9.9753 9.9936 10.4580 10.4670 11.2469 11.2788 11.6160 11.6397 13.2473 13.2621 13.5840 13.5944 k = 0.1981-0.1967 0.0000 ( 2356 PWs) bands (ev): -4.6169 -4.6169 -3.3723 -3.3699 4.1925 4.2174 5.0254 5.0300 5.1992 5.2401 5.3462 5.3487 5.9864 6.0495 6.4613 6.5429 7.5635 7.5803 8.0884 8.0904 8.2702 8.2796 8.3705 8.4043 8.6616 8.6863 8.7332 8.7659 9.0391 9.0498 9.0982 9.1223 9.2475 9.2713 9.3233 9.3383 9.5275 9.5320 9.9551 9.9732 10.3976 10.4071 11.2432 11.2788 11.5877 11.6170 13.3105 13.3263 13.6668 13.6789 k = 0.2075-0.2060 0.0000 ( 2358 PWs) bands (ev): -4.5855 -4.5854 -3.3880 -3.3856 4.1435 4.1667 4.9623 4.9674 5.2109 5.2497 5.3738 5.3754 5.9829 6.0468 6.4654 6.5477 7.5669 7.5842 8.0788 8.0812 8.2677 8.2794 8.3677 8.4047 8.6702 8.6990 8.7444 8.7762 9.0369 9.0489 9.1010 9.1280 9.2464 9.2723 9.3177 9.3359 9.5321 9.5356 9.9319 9.9496 10.3380 10.3480 11.2410 11.2799 11.5605 11.5951 13.3647 13.3814 13.7514 13.7648 k = 0.2170-0.2154 0.0000 ( 2352 PWs) bands (ev): -4.5532 -4.5531 -3.4038 -3.4014 4.0942 4.1159 4.8916 4.8963 5.2302 5.2663 5.4028 5.4040 5.9798 6.0443 6.4697 6.5525 7.5702 7.5878 8.0671 8.0739 8.2660 8.2798 8.3655 8.4058 8.6788 8.7118 8.7561 8.7868 9.0323 9.0450 9.1030 9.1327 9.2476 9.2742 9.3138 9.3344 9.5380 9.5404 9.9062 9.9232 10.2796 10.2899 11.2399 11.2816 11.5349 11.5743 13.4099 13.4273 13.8369 13.8517 k = 0.2264-0.2248 0.0000 ( 2352 PWs) bands (ev): -4.5201 -4.5200 -3.4198 -3.4174 4.0449 4.0651 4.8174 4.8215 5.2529 5.2864 5.4329 5.4337 5.9771 6.0420 6.4743 6.5573 7.5731 7.5912 8.0553 8.0662 8.2649 8.2805 8.3641 8.4075 8.6873 8.7243 8.7682 8.7977 9.0256 9.0384 9.1040 9.1362 9.2504 9.2751 9.3131 9.3338 9.5451 9.5463 9.8781 9.8943 10.2223 10.2328 11.2393 11.2831 11.5113 11.5548 13.4461 13.4640 13.9227 13.9386 k = 0.2358-0.2341 0.0000 ( 2352 PWs) bands (ev): -4.4863 -4.4862 -3.4358 -3.4334 3.9957 4.0145 4.7413 4.7449 5.2774 5.3086 5.4636 5.4643 5.9748 6.0399 6.4791 6.5621 7.5759 7.5942 8.0435 8.0580 8.2645 8.2815 8.3634 8.4099 8.6958 8.7365 8.7805 8.8088 9.0175 9.0299 9.1042 9.1385 9.2540 9.2737 9.3165 9.3345 9.5533 9.5533 9.8484 9.8636 10.1663 10.1769 11.2387 11.2837 11.4904 11.5370 13.4738 13.4921 14.0075 14.0243 k = 0.2453-0.2435 0.0000 ( 2352 PWs) bands (ev): -4.4519 -4.4518 -3.4519 -3.4495 3.9469 3.9644 4.6643 4.6676 5.3030 5.3323 5.4949 5.4955 5.9728 6.0379 6.4842 6.5669 7.5782 7.5968 8.0316 8.0494 8.2647 8.2829 8.3636 8.4129 8.7040 8.7483 8.7928 8.8199 9.0086 9.0203 9.1033 9.1395 9.2577 9.2700 9.3237 9.3368 9.5613 9.5625 9.8173 9.8315 10.1118 10.1223 11.2374 11.2822 11.4729 11.5212 13.4937 13.5121 14.0900 14.1076 k = 0.2547-0.2529 0.0000 ( 2346 PWs) bands (ev): -4.4170 -4.4169 -3.4679 -3.4655 3.8986 3.9148 4.5869 4.5901 5.3295 5.3570 5.5266 5.5274 5.9711 6.0362 6.4896 6.5717 7.5804 7.5991 8.0197 8.0403 8.2656 8.2846 8.3647 8.4166 8.7122 8.7594 8.8048 8.8309 8.9996 9.0103 9.1015 9.1392 9.2608 9.2651 9.3333 9.3410 9.5702 9.5727 9.7854 9.7987 10.0591 10.0694 11.2351 11.2778 11.4595 11.5076 13.5066 13.5251 14.1684 14.1865 k = 0.2642-0.2622 0.0000 ( 2350 PWs) bands (ev): -4.3817 -4.3816 -3.4837 -3.4814 3.8508 3.8659 4.5097 4.5127 5.3566 5.3824 5.5585 5.5595 5.9697 6.0345 6.4953 6.5765 7.5820 7.6008 8.0077 8.0308 8.2671 8.2864 8.3665 8.4208 8.7201 8.7697 8.8162 8.8414 8.9910 9.0005 9.0987 9.1375 9.2596 9.2629 9.3442 9.3469 9.5796 9.5832 9.7533 9.7659 10.0085 10.0182 11.2311 11.2698 11.4507 11.4964 13.5134 13.5317 14.2406 14.2591 k = 0.2736-0.2716 0.0000 ( 2356 PWs) bands (ev): -4.3461 -4.3460 -3.4995 -3.4972 3.8039 3.8178 4.4329 4.4358 5.3840 5.4084 5.5905 5.5919 5.9685 6.0329 6.5012 6.5813 7.5832 7.6020 7.9959 8.0209 8.2692 8.2886 8.3691 8.4254 8.7277 8.7790 8.8263 8.8509 8.9835 8.9915 9.0950 9.1343 9.2540 9.2638 9.3541 9.3555 9.5891 9.5938 9.7218 9.7341 9.9603 9.9691 11.2253 11.2583 11.4462 11.4877 13.5149 13.5330 14.3040 14.3227 k = 0.2830-0.2810 0.0000 ( 2356 PWs) bands (ev): -4.3103 -4.3102 -3.5150 -3.5127 3.7579 3.7707 4.3569 4.3598 5.4118 5.4347 5.6226 5.6244 5.9677 6.0316 6.5073 6.5861 7.5839 7.6026 7.9845 8.0110 8.2717 8.2909 8.3724 8.4306 8.7351 8.7873 8.8347 8.8591 8.9777 8.9841 9.0907 9.1299 9.2485 9.2637 9.3619 9.3665 9.5980 9.6035 9.6921 9.7048 9.9154 9.9229 11.2176 11.2438 11.4454 11.4815 13.5121 13.5298 14.3558 14.3748 k = 0.2925-0.2903 0.0000 ( 2360 PWs) bands (ev): -4.2745 -4.2744 -3.5303 -3.5280 3.7129 3.7246 4.2820 4.2849 5.4397 5.4613 5.6544 5.6568 5.9670 6.0303 6.5137 6.5908 7.5841 7.6026 7.9733 8.0009 8.2746 8.2932 8.3764 8.4360 8.7422 8.7943 8.8406 8.8652 8.9743 8.9789 9.0857 9.1241 9.2431 9.2628 9.3691 9.3758 9.6049 9.6107 9.6658 9.6802 9.8745 9.8803 11.2080 11.2270 11.4472 11.4774 13.5057 13.5230 14.3933 14.4124 k = 0.3019-0.2997 0.0000 ( 2356 PWs) bands (ev): -4.2387 -4.2386 -3.5452 -3.5430 3.6690 3.6797 4.2084 4.2113 5.4677 5.4881 5.6860 5.6891 5.9667 6.0292 6.5203 6.5955 7.5838 7.6020 7.9627 7.9911 8.2778 8.2957 8.3810 8.4418 8.7488 8.7998 8.8438 8.8690 8.9738 8.9764 9.0805 9.1174 9.2380 9.2614 9.3744 9.3820 9.6061 9.6129 9.6472 9.6635 9.8391 9.8426 11.1968 11.2089 11.4507 11.4752 13.4965 13.5132 14.4141 14.4332 k = 0.3113-0.3090 0.0000 ( 2358 PWs) bands (ev): -4.2032 -4.2031 -3.5598 -3.5577 3.6263 3.6361 4.1364 4.1393 5.4957 5.5148 5.7170 5.7210 5.9666 6.0283 6.5270 6.6001 7.5828 7.6006 7.9526 7.9815 8.2812 8.2981 8.3861 8.4477 8.7549 8.8032 8.8442 8.8706 8.9760 8.9763 9.0751 9.1095 9.2330 9.2596 9.3758 9.3831 9.5975 9.6096 9.6403 9.6549 9.8108 9.8120 11.1842 11.1899 11.4553 11.4743 13.4851 13.5012 14.4166 14.4356 k = 0.3208-0.3184 0.0000 ( 2358 PWs) bands (ev): -4.1681 -4.1680 -3.5740 -3.5719 3.5850 3.5938 4.0662 4.0691 5.5235 5.5415 5.7474 5.7523 5.9669 6.0277 6.5338 6.6046 7.5811 7.5984 7.9433 7.9722 8.2846 8.3004 8.3916 8.4537 8.7604 8.8045 8.8422 8.8710 8.9778 8.9805 9.0698 9.1007 9.2283 9.2575 9.3719 9.3776 9.5839 9.6063 9.6405 9.6485 9.7915 9.7916 11.1706 11.1707 11.4602 11.4744 13.4721 13.4875 14.4004 14.4193 k = 0.3302-0.3278 0.0000 ( 2356 PWs) bands (ev): -4.1334 -4.1333 -3.5877 -3.5857 3.5450 3.5530 3.9980 4.0010 5.5511 5.5680 5.7768 5.7828 5.9676 6.0274 6.5408 6.6090 7.5788 7.5954 7.9349 7.9636 8.2879 8.3025 8.3975 8.4596 8.7652 8.8034 8.8389 8.8708 8.9797 8.9863 9.0653 9.0915 9.2238 9.2551 9.3617 9.3651 9.5691 9.6040 9.6417 9.6441 9.7825 9.7828 11.1514 11.1563 11.4652 11.4751 13.4579 13.4726 14.3665 14.3853 k = 0.3396-0.3371 0.0000 ( 2360 PWs) bands (ev): -4.0994 -4.0993 -3.6009 -3.5990 3.5065 3.5136 3.9322 3.9352 5.5783 5.5940 5.8052 5.8123 5.9688 6.0275 6.5477 6.6132 7.5757 7.5916 7.9274 7.9556 8.2909 8.3042 8.4036 8.4652 8.7688 8.7998 8.8348 8.8708 8.9808 8.9922 9.0619 9.0822 9.2192 9.2526 9.3460 9.3470 9.5525 9.5944 9.6437 9.6525 9.7821 9.7843 11.1324 11.1415 11.4698 11.4760 13.4431 13.4570 14.3169 14.3356 k = 0.3491-0.3465 0.0000 ( 2360 PWs) bands (ev): -4.0662 -4.0661 -3.6136 -3.6118 3.4695 3.4758 3.8689 3.8720 5.6050 5.6197 5.8320 5.8404 5.9707 6.0283 6.5547 6.6172 7.5720 7.5870 7.9209 7.9485 8.2936 8.3056 8.4098 8.4706 8.7714 8.7945 8.8310 8.8712 8.9801 8.9968 9.0602 9.0737 9.2145 9.2497 9.3254 9.3264 9.5336 9.5752 9.6584 9.6674 9.7880 9.7927 11.1138 11.1265 11.4739 11.4768 13.4279 13.4411 14.2546 14.2730 k = 0.3585-0.3559 0.0000 ( 2358 PWs) bands (ev): -4.0340 -4.0339 -3.6257 -3.6240 3.4341 3.4395 3.8085 3.8117 5.6311 5.6448 5.8572 5.8665 5.9739 6.0300 6.5617 6.6210 7.5675 7.5816 7.9156 7.9422 8.2959 8.3065 8.4161 8.4756 8.7727 8.7880 8.8281 8.8718 8.9771 8.9987 9.0601 9.0674 9.2093 9.2462 9.3026 9.3050 9.5134 9.5525 9.6806 9.6881 9.7981 9.8049 11.0956 11.1114 11.4773 11.4773 13.4127 13.4251 14.1825 14.2006 k = 0.3679-0.3652 0.0000 ( 2354 PWs) bands (ev): -4.0029 -4.0028 -3.6372 -3.6356 3.4003 3.4050 3.7510 3.7543 5.6565 5.6692 5.8800 5.8898 5.9790 6.0329 6.5686 6.6246 7.5625 7.5756 7.9114 7.9369 8.2976 8.3068 8.4224 8.4800 8.7725 8.7807 8.8264 8.8723 8.9721 8.9963 9.0612 9.0645 9.2030 9.2414 9.2805 9.2841 9.4933 9.5297 9.7072 9.7137 9.8107 9.8196 11.0781 11.0964 11.4773 11.4798 13.3977 13.4093 14.1036 14.1213 k = 0.3774-0.3746 0.0000 ( 2354 PWs) bands (ev): -3.9730 -3.9730 -3.6481 -3.6465 3.3681 3.3721 3.6969 3.7002 5.6810 5.6927 5.9001 5.9091 5.9869 6.0373 6.5754 6.6278 7.5568 7.5688 7.9083 7.9325 8.2986 8.3066 8.4286 8.4839 8.7711 8.7732 8.8259 8.8724 8.9658 8.9895 9.0629 9.0653 9.1944 9.2330 9.2611 9.2668 9.4741 9.5081 9.7365 9.7426 9.8250 9.8358 11.0612 11.0815 11.4767 11.4813 13.3832 13.3939 14.0207 14.0379 k = 0.3868-0.3840 0.0000 ( 2354 PWs) bands (ev): -3.9446 -3.9445 -3.6582 -3.6568 3.3377 3.3410 3.6462 3.6496 5.7045 5.7152 5.9170 5.9234 5.9987 6.0436 6.5820 6.6308 7.5506 7.5616 7.9062 7.9291 8.2989 8.3057 8.4345 8.4870 8.7658 8.7688 8.8264 8.8720 8.9588 8.9797 9.0643 9.0683 9.1824 9.2191 9.2463 9.2561 9.4565 9.4881 9.7672 9.7737 9.8406 9.8533 11.0449 11.0669 11.4754 11.4818 13.3693 13.3792 13.9360 13.9526 k = 0.3962-0.3933 0.0000 ( 2360 PWs) bands (ev): -3.9178 -3.9177 -3.6677 -3.6664 3.3090 3.3116 3.5992 3.6026 5.7268 5.7366 5.9304 5.9330 6.0138 6.0520 6.5883 6.6334 7.5441 7.5540 7.9050 7.9264 8.2985 8.3042 8.4400 8.4893 8.7587 8.7659 8.8276 8.8708 8.9519 8.9684 9.0646 9.0721 9.1673 9.2021 9.2364 9.2503 9.4408 9.4699 9.7979 9.8053 9.8578 9.8725 11.0294 11.0524 11.4733 11.4813 13.3562 13.3652 13.8518 13.8676 k = 0.4057-0.4027 0.0000 ( 2366 PWs) bands (ev): -3.8927 -3.8926 -3.6765 -3.6752 3.2822 3.2842 3.5561 3.5595 5.7478 5.7566 5.9391 5.9404 6.0309 6.0622 6.5944 6.6357 7.5374 7.5462 7.9048 7.9245 8.2975 8.3021 8.4450 8.4907 8.7522 8.7628 8.8292 8.8689 8.9456 8.9568 9.0633 9.0755 9.1509 9.1854 9.2303 9.2466 9.4270 9.4538 9.8267 9.8348 9.8783 9.8941 11.0146 11.0383 11.4705 11.4797 13.3440 13.3521 13.7696 13.7846 k = 0.4151-0.4121 0.0000 ( 2364 PWs) bands (ev): -3.8695 -3.8694 -3.6844 -3.6833 3.2572 3.2587 3.5171 3.5204 5.7675 5.7754 5.9432 5.9475 6.0487 6.0739 6.6003 6.6377 7.5306 7.5384 7.9053 7.9234 8.2959 8.2996 8.4495 8.4913 8.7465 8.7597 8.8309 8.8662 8.9405 8.9459 9.0598 9.0768 9.1359 9.1710 9.2266 9.2439 9.4151 9.4395 9.8518 9.8589 9.9043 9.9191 11.0008 11.0246 11.4671 11.4772 13.3327 13.3399 13.6912 13.7051 k = 0.4245-0.4214 0.0000 ( 2368 PWs) bands (ev): -3.8483 -3.8482 -3.6916 -3.6906 3.2342 3.2353 3.4822 3.4853 5.7856 5.7925 5.9460 5.9522 6.0659 6.0860 6.6059 6.6393 7.5240 7.5308 7.9065 7.9228 8.2939 8.2967 8.4536 8.4912 8.7416 8.7566 8.8325 8.8629 8.9363 8.9366 9.0538 9.0741 9.1251 9.1596 9.2244 9.2415 9.4051 9.4270 9.8723 9.8770 9.9353 9.9474 10.9878 11.0112 11.4631 11.4737 13.3225 13.3289 13.6177 13.6305 k = 0.4340-0.4308 0.0000 ( 2368 PWs) bands (ev): -3.8292 -3.8292 -3.6980 -3.6971 3.2134 3.2141 3.4515 3.4544 5.8019 5.8080 5.9480 5.9552 6.0820 6.0980 6.6111 6.6404 7.5178 7.5236 7.9081 7.9226 8.2916 8.2937 8.4571 8.4903 8.7376 8.7535 8.8340 8.8593 8.9286 8.9339 9.0455 9.0662 9.1201 9.1515 9.2232 9.2394 9.3968 9.4161 9.8888 9.8914 9.9682 9.9776 10.9758 10.9984 11.4588 11.4695 13.3135 13.3189 13.5504 13.5620 k = 0.4434-0.4402 0.0000 ( 2372 PWs) bands (ev): -3.8125 -3.8124 -3.7036 -3.7028 3.1949 3.1953 3.4250 3.4277 5.8164 5.8216 5.9497 5.9569 6.0965 6.1093 6.6160 6.6412 7.5120 7.5169 7.9101 7.9227 8.2889 8.2905 8.4600 8.4887 8.7345 8.7504 8.8353 8.8555 8.9230 8.9322 9.0356 9.0546 9.1194 9.1458 9.2226 9.2374 9.3900 9.4068 9.9022 9.9034 10.0006 10.0077 10.9650 10.9861 11.4543 11.4647 13.3056 13.3102 13.4902 13.5004 k = 0.4528-0.4495 0.0000 ( 2372 PWs) bands (ev): -3.7981 -3.7980 -3.7083 -3.7077 3.1787 3.1790 3.4028 3.4051 5.8290 5.8333 5.9511 5.9579 6.1093 6.1193 6.6205 6.6416 7.5069 7.5109 7.9123 7.9229 8.2865 8.2876 8.4626 8.4866 8.7323 8.7474 8.8362 8.8519 8.9196 8.9315 9.0253 9.0420 9.1209 9.1421 9.2226 9.2355 9.3848 9.3989 9.9131 9.9135 10.0307 10.0361 10.9556 10.9745 11.4500 11.4597 13.2990 13.3026 13.4379 13.4468 k = 0.4623-0.4589 0.0000 ( 2364 PWs) bands (ev): -3.7862 -3.7861 -3.7121 -3.7116 3.1653 3.1654 3.3848 3.3867 5.8396 5.8429 5.9524 5.9582 6.1202 6.1278 6.6246 6.6415 7.5026 7.5058 7.9145 7.9231 8.2842 8.2849 8.4649 8.4842 8.7311 8.7444 8.8370 8.8488 8.9184 8.9313 9.0156 9.0299 9.1233 9.1395 9.2231 9.2338 9.3810 9.3924 9.9218 9.9219 10.0575 10.0614 10.9479 10.9640 11.4463 11.4547 13.2936 13.2963 13.3944 13.4018 k = 0.4717-0.4683 0.0000 ( 2364 PWs) bands (ev): -3.7768 -3.7768 -3.7151 -3.7148 3.1545 3.1546 3.3709 3.3724 5.8480 5.8505 5.9535 5.9582 6.1289 6.1344 6.6283 6.6410 7.4992 7.5015 7.9167 7.9231 8.2823 8.2827 8.4670 8.4815 8.7308 8.7414 8.8376 8.8459 8.9190 8.9311 9.0073 9.0190 9.1258 9.1376 9.2237 9.2320 9.3785 9.3870 9.9283 9.9286 10.0797 10.0825 10.9419 10.9547 11.4432 11.4500 13.2894 13.2912 13.3602 13.3660 k = 0.4811-0.4776 0.0000 ( 2366 PWs) bands (ev): -3.7701 -3.7701 -3.7173 -3.7170 3.1468 3.1468 3.3612 3.3622 5.8541 5.8557 5.9546 5.9578 6.1354 6.1390 6.6315 6.6400 7.4967 7.4983 7.9186 7.9229 8.2807 8.2810 8.4691 8.4788 8.7312 8.7386 8.8383 8.8436 8.9210 8.9305 9.0013 9.0099 9.1282 9.1359 9.2247 9.2303 9.3772 9.3829 9.9331 9.9333 10.0965 10.0982 10.9382 10.9470 11.4412 11.4460 13.2864 13.2875 13.3357 13.3398 k = 0.4906-0.4870 0.0000 ( 2372 PWs) bands (ev): -3.7660 -3.7660 -3.7185 -3.7184 3.1420 3.1420 3.3554 3.3559 5.8580 5.8588 5.9555 5.9572 6.1397 6.1415 6.6343 6.6385 7.4953 7.4961 7.9201 7.9223 8.2798 8.2799 8.4712 8.4761 8.7322 8.7361 8.8391 8.8417 8.9237 8.9290 8.9985 9.0031 9.1303 9.1341 9.2258 9.2287 9.3769 9.3798 9.9359 9.9361 10.1070 10.1078 10.9367 10.9412 11.4405 11.4429 13.2847 13.2851 13.3214 13.3236 k = 0.5000-0.4963 0.0000 ( 2374 PWs) bands (ev): -3.7647 -3.7647 -3.7189 -3.7189 3.1405 3.1405 3.3537 3.3537 5.8595 5.8595 5.9564 5.9564 6.1417 6.1417 6.6366 6.6366 7.4951 7.4951 7.9214 7.9214 8.2795 8.2795 8.4736 8.4736 8.7338 8.7338 8.8402 8.8402 8.9267 8.9267 8.9991 8.9991 9.1323 9.1323 9.2272 9.2272 9.3778 9.3778 9.9370 9.9370 10.1108 10.1108 10.9378 10.9378 11.4410 11.4410 13.2842 13.2842 13.3174 13.3174 k = 0.5000-0.4963 0.0000 ( 2374 PWs) bands (ev): -3.7647 -3.7647 -3.7189 -3.7189 3.1405 3.1405 3.3537 3.3537 5.8595 5.8595 5.9564 5.9564 6.1417 6.1417 6.6366 6.6366 7.4951 7.4951 7.9214 7.9214 8.2795 8.2795 8.4736 8.4736 8.7338 8.7338 8.8402 8.8402 8.9267 8.9267 8.9991 8.9991 9.1323 9.1323 9.2272 9.2272 9.3778 9.3778 9.9370 9.9370 10.1108 10.1108 10.9378 10.9378 11.4410 11.4410 13.2842 13.2842 13.3174 13.3174 k = 0.5001-0.4962-0.0134 ( 2375 PWs) bands (ev): -3.7645 -3.7642 -3.7187 -3.7185 3.1409 3.1424 3.3547 3.3549 5.8545 5.8601 5.9539 5.9550 6.1389 6.1430 6.6321 6.6372 7.4960 7.4970 7.9199 7.9227 8.2767 8.2829 8.4728 8.4747 8.7322 8.7343 8.8310 8.8429 8.9189 8.9379 8.9973 9.0002 9.1316 9.1337 9.2267 9.2277 9.3759 9.3787 9.9289 9.9387 10.1029 10.1180 10.9335 10.9341 11.4363 11.4378 13.2919 13.2927 13.3254 13.3255 k = 0.5002-0.4962-0.0268 ( 2369 PWs) bands (ev): -3.7637 -3.7630 -3.7179 -3.7176 3.1436 3.1466 3.3579 3.3582 5.8453 5.8561 5.9474 5.9496 6.1347 6.1427 6.6238 6.6341 7.4998 7.5017 7.9184 7.9239 8.2746 8.2869 8.4725 8.4764 8.7295 8.7337 8.8176 8.8378 8.9165 8.9503 8.9949 9.0008 9.1317 9.1360 9.2264 9.2285 9.3731 9.3785 9.9153 9.9335 10.0950 10.1238 10.9215 10.9225 11.4237 11.4267 13.3158 13.3174 13.3493 13.3495 k = 0.5003-0.4961-0.0402 ( 2367 PWs) bands (ev): -3.7622 -3.7611 -3.7166 -3.7161 3.1486 3.1532 3.3633 3.3638 5.8319 5.8476 5.9369 5.9403 6.1291 6.1407 6.6117 6.6270 7.5061 7.5088 7.9168 7.9250 8.2731 8.2915 8.4723 8.4783 8.7253 8.7318 8.8015 8.8268 8.9180 8.9614 8.9924 9.0012 9.1323 9.1389 9.2262 9.2293 9.3693 9.3774 9.8973 9.9216 10.0875 10.1273 10.9021 10.9037 11.4035 11.4081 13.3552 13.3577 13.3888 13.3891 k = 0.5004-0.4960-0.0537 ( 2368 PWs) bands (ev): -3.7600 -3.7586 -3.7147 -3.7140 3.1560 3.1622 3.3709 3.3715 5.8145 5.8346 5.9224 5.9270 6.1224 6.1371 6.5962 6.6163 7.5149 7.5183 7.9151 7.9259 8.2722 8.2965 8.4720 8.4803 8.7187 8.7284 8.7841 8.8132 8.9209 8.9689 8.9902 9.0025 9.1335 9.1427 9.2260 9.2301 9.3648 9.3753 9.8760 9.9040 10.0801 10.1281 10.8762 10.8781 11.3763 11.3825 13.4094 13.4128 13.4431 13.4438 k = 0.5005-0.4959-0.0671 ( 2372 PWs) bands (ev): -3.7572 -3.7555 -3.7122 -3.7113 3.1657 3.1734 3.3806 3.3814 5.7933 5.8172 5.9040 5.9098 6.1145 6.1318 6.5773 6.6020 7.5260 7.5299 7.9134 7.9266 8.2716 8.3019 8.4712 8.4820 8.7081 8.7237 8.7667 8.8001 8.9235 8.9704 8.9887 9.0064 9.1353 9.1472 9.2257 9.2309 9.3595 9.3724 9.8522 9.8821 10.0723 10.1261 10.8446 10.8468 11.3426 11.3504 13.4772 13.4817 13.5114 13.5128 k = 0.5006-0.4958-0.0805 ( 2372 PWs) bands (ev): -3.7537 -3.7517 -3.7092 -3.7081 3.1777 3.1869 3.3925 3.3934 5.7686 5.7956 5.8818 5.8889 6.1056 6.1250 6.5554 6.5844 7.5392 7.5433 7.9117 7.9271 8.2716 8.3076 8.4693 8.4830 8.6929 8.7171 8.7507 8.7893 8.9249 8.9675 8.9866 9.0126 9.1379 9.1527 9.2253 9.2316 9.3536 9.3687 9.8269 9.8575 10.0636 10.1214 10.8082 10.8107 11.3033 11.3128 13.5577 13.5632 13.5930 13.5953 k = 0.5007-0.4957-0.0939 ( 2368 PWs) bands (ev): -3.7497 -3.7473 -3.7057 -3.7044 3.1919 3.2028 3.4066 3.4076 5.7405 5.7701 5.8559 5.8645 6.0957 6.1165 6.5306 6.5638 7.5541 7.5584 7.9100 7.9275 8.2717 8.3135 8.4656 8.4826 8.6738 8.7078 8.7379 8.7815 8.9248 8.9626 8.9834 9.0192 9.1412 9.1590 9.2247 9.2323 9.3473 9.3643 9.8008 9.8315 10.0537 10.1142 10.7679 10.7708 11.2592 11.2704 13.6496 13.6563 13.6868 13.6902 k = 0.5008-0.4956-0.1073 ( 2364 PWs) bands (ev): -3.7450 -3.7424 -3.7016 -3.7002 3.2084 3.2209 3.4228 3.4239 5.7093 5.7409 5.8268 5.8367 6.0846 6.1064 6.5032 6.5402 7.5706 7.5748 7.9084 7.9277 8.2718 8.3194 8.4593 8.4802 8.6528 8.6955 8.7289 8.7758 8.9228 8.9568 8.9791 9.0246 9.1453 9.1660 9.2238 9.2327 9.3408 9.3595 9.7747 9.8053 10.0425 10.1046 10.7248 10.7279 11.2110 11.2239 13.7519 13.7596 13.7922 13.7966 k = 0.5009-0.4955-0.1207 ( 2352 PWs) bands (ev): -3.7399 -3.7369 -3.6972 -3.6956 3.2272 3.2412 3.4411 3.4424 5.6752 5.7083 5.7946 5.8059 6.0723 6.0945 6.4733 6.5138 7.5885 7.5924 7.9069 7.9279 8.2716 8.3251 8.4498 8.4747 8.6323 8.6825 8.7225 8.7717 8.9192 8.9506 8.9740 9.0280 9.1502 9.1739 9.2226 9.2331 9.3341 9.3546 9.7492 9.7797 10.0301 10.0932 10.6795 10.6829 11.1596 11.1743 13.8635 13.8722 13.9081 13.9136 k = 0.5010-0.4954-0.1341 ( 2358 PWs) bands (ev): -3.7341 -3.7309 -3.6922 -3.6905 3.2481 3.2638 3.4615 3.4629 5.6384 5.6725 5.7598 5.7722 6.0585 6.0808 6.4411 6.4848 7.6073 7.6106 7.9054 7.9278 8.2704 8.3300 8.4363 8.4655 8.6143 8.6705 8.7172 8.7684 8.9141 8.9440 8.9679 9.0289 9.1556 9.1822 9.2211 9.2335 9.3273 9.3495 9.7247 9.7554 10.0167 10.0800 10.6326 10.6363 11.1057 11.1220 13.9834 13.9928 14.0336 14.0401 k = 0.5011-0.4953-0.1476 ( 2360 PWs) bands (ev): -3.7280 -3.7244 -3.6869 -3.6850 3.2713 3.2886 3.4839 3.4855 5.5992 5.6339 5.7226 5.7363 6.0431 6.0653 6.4066 6.4533 7.6269 7.6295 7.9041 7.9277 8.2676 8.3338 8.4190 8.4529 8.6000 8.6607 8.7124 8.7655 8.9079 8.9371 8.9609 9.0273 9.1614 9.1908 9.2193 9.2340 9.3207 9.3448 9.7016 9.7327 10.0024 10.0656 10.5849 10.5890 11.0501 11.0680 14.1105 14.1208 14.1681 14.1754 k = 0.5012-0.4952-0.1610 ( 2362 PWs) bands (ev): -3.7213 -3.7175 -3.6812 -3.6791 3.2965 3.3155 3.5084 3.5101 5.5579 5.5928 5.6836 5.6984 6.0261 6.0478 6.3699 6.4193 7.6471 7.6488 7.9030 7.9275 8.2620 8.3352 8.3988 8.4388 8.5897 8.6533 8.7080 8.7627 8.9010 8.9300 8.9530 9.0230 9.1674 9.1992 9.2181 9.2350 9.3144 9.3405 9.6802 9.7121 9.9876 10.0503 10.5368 10.5412 10.9933 11.0129 14.2442 14.2552 14.3105 14.3184 k = 0.5013-0.4951-0.1744 ( 2363 PWs) bands (ev): -3.7143 -3.7101 -3.6752 -3.6729 3.3239 3.3445 3.5350 3.5368 5.5148 5.5495 5.6431 5.6588 6.0072 6.0282 6.3311 6.3829 7.6675 7.6684 7.9023 7.9272 8.2523 8.3314 8.3787 8.4259 8.5827 8.6479 8.7036 8.7600 8.8936 8.9223 8.9443 9.0161 9.1728 9.2051 9.2197 9.2369 9.3086 9.3369 9.6605 9.6936 9.9724 10.0344 10.4887 10.4936 10.9361 10.9571 14.3835 14.3954 14.4601 14.4685 k = 0.5014-0.4950-0.1878 ( 2357 PWs) bands (ev): -3.7069 -3.7025 -3.6689 -3.6664 3.3534 3.3757 3.5635 3.5654 5.4702 5.5045 5.6015 5.6181 5.9865 6.0067 6.2904 6.3442 7.6872 7.6888 7.9019 7.9270 8.2376 8.3172 8.3651 8.4166 8.5780 8.6442 8.6993 8.7572 8.8860 8.9141 8.9350 9.0067 9.1774 9.2060 9.2266 9.2403 9.3037 9.3339 9.6426 9.6773 9.9572 10.0181 10.4411 10.4466 10.8788 10.9013 14.5278 14.5407 14.6161 14.6248 k = 0.5015-0.4949-0.2012 ( 2359 PWs) bands (ev): -3.6992 -3.6945 -3.6624 -3.6597 3.3848 3.4088 3.5939 3.5959 5.4243 5.4579 5.5592 5.5766 5.9636 5.9829 6.2477 6.3031 7.7060 7.7095 7.9020 7.9268 8.2177 8.2925 8.3592 8.4113 8.5749 8.6416 8.6949 8.7542 8.8782 8.9050 8.9255 8.9949 9.1807 9.2046 9.2358 9.2455 9.2997 9.3314 9.6264 9.6631 9.9420 10.0017 10.3943 10.4003 10.8218 10.8457 14.6763 14.6904 14.7778 14.7866 k = 0.5016-0.4948-0.2146 ( 2363 PWs) bands (ev): -3.6912 -3.6863 -3.6556 -3.6527 3.4182 3.4439 3.6263 3.6284 5.3773 5.4101 5.5165 5.5346 5.9386 5.9568 6.2031 6.2598 7.7240 7.7301 7.9026 7.9266 8.1933 8.2630 8.3571 8.4091 8.5729 8.6399 8.6905 8.7510 8.8704 8.8947 8.9161 8.9810 9.1826 9.2027 9.2453 9.2528 9.2971 9.3293 9.6117 9.6508 9.9272 9.9854 10.3485 10.3550 10.7655 10.7906 14.8284 14.8438 14.9443 14.9531 k = 0.5017-0.4947-0.2280 ( 2361 PWs) bands (ev): -3.6830 -3.6779 -3.6487 -3.6456 3.4535 3.4809 3.6605 3.6627 5.3297 5.3615 5.4738 5.4926 5.9112 5.9285 6.1568 6.2143 7.7409 7.7503 7.9042 7.9267 8.1661 8.2321 8.3567 8.4090 8.5718 8.6390 8.6859 8.7474 8.8625 8.8834 8.9071 8.9653 9.1834 9.2009 9.2542 9.2616 9.2967 9.3276 9.5985 9.6403 9.9128 9.9693 10.3040 10.3111 10.7102 10.7365 14.9834 15.0005 15.1150 15.1236 k = 0.5018-0.4946-0.2415 ( 2358 PWs) bands (ev): -3.6747 -3.6693 -3.6417 -3.6385 3.4906 3.5197 3.6965 3.6988 5.2817 5.3122 5.4315 5.4510 5.8815 5.8978 6.1089 6.1667 7.7564 7.7699 7.9067 7.9272 8.1374 8.2011 8.3573 8.4098 8.5716 8.6390 8.6810 8.7436 8.8542 8.8715 8.8985 8.9480 9.1835 9.1993 9.2621 9.2702 9.2995 9.3263 9.5865 9.6314 9.8991 9.9538 10.2612 10.2689 10.6561 10.6834 15.1405 15.1596 15.2890 15.2972 k = 0.5019-0.4945-0.2549 ( 2360 PWs) bands (ev): -3.6663 -3.6607 -3.6347 -3.6312 3.5295 3.5602 3.7343 3.7366 5.2335 5.2627 5.3900 5.4100 5.8493 5.8647 6.0594 6.1171 7.7699 7.7884 7.9101 7.9283 8.1085 8.1708 8.3584 8.4111 8.5722 8.6398 8.6759 8.7394 8.8447 8.8598 8.8904 8.9296 9.1833 9.1979 9.2675 9.2784 9.3060 9.3255 9.5758 9.6239 9.8861 9.9388 10.2202 10.2284 10.6034 10.6316 15.2991 15.3204 15.4653 15.4734 k = 0.5020-0.4944-0.2683 ( 2360 PWs) bands (ev): -3.6578 -3.6520 -3.6276 -3.6240 3.5700 3.6024 3.7737 3.7762 5.1854 5.2131 5.3494 5.3700 5.8146 5.8292 6.0087 6.0657 7.7811 7.8057 7.9144 7.9305 8.0803 8.1419 8.3600 8.4125 8.5738 8.6415 8.6704 8.7348 8.8331 8.8493 8.8826 8.9105 9.1830 9.1969 9.2697 9.2868 9.3143 9.3269 9.5662 9.6177 9.8738 9.9244 10.1811 10.1899 10.5522 10.5811 15.4584 15.4823 15.6427 15.6513 k = 0.5021-0.4943-0.2817 ( 2364 PWs) bands (ev): -3.6493 -3.6434 -3.6207 -3.6169 3.6120 3.6460 3.8147 3.8175 5.1376 5.1638 5.3103 5.3313 5.7773 5.7912 5.9570 6.0126 7.7899 7.8211 7.9184 7.9345 8.0539 8.1147 8.3619 8.4139 8.5761 8.6439 8.6645 8.7299 8.8195 8.8401 8.8752 8.8913 9.1828 9.1962 9.2699 9.2939 9.3199 9.3342 9.5577 9.6126 9.8623 9.9107 10.1442 10.1536 10.5025 10.5322 15.6176 15.6444 15.8193 15.8304 k = 0.5022-0.4942-0.2951 ( 2362 PWs) bands (ev): -3.6410 -3.6349 -3.6138 -3.6098 3.6556 3.6909 3.8571 3.8604 5.0903 5.1149 5.2728 5.2943 5.7374 5.7509 5.9045 5.9581 7.7962 7.8343 7.9212 7.9406 8.0306 8.0899 8.3642 8.4155 8.5793 8.6463 8.6591 8.7247 8.8049 8.8307 8.8682 8.8730 9.1829 9.1959 9.2692 9.2978 9.3245 9.3457 9.5506 9.6087 9.8517 9.8978 10.1098 10.1197 10.4546 10.4848 15.7758 15.8057 15.9934 16.0095 k = 0.5023-0.4941-0.3085 ( 2363 PWs) bands (ev): -3.6327 -3.6265 -3.6071 -3.6030 3.7004 3.7371 3.9009 3.9049 5.0437 5.0667 5.2373 5.2592 5.6948 5.7082 5.8517 5.9026 7.8005 7.8449 7.9217 7.9478 8.0120 8.0679 8.3670 8.4174 8.5832 8.6452 8.6575 8.7191 8.7900 8.8198 8.8555 8.8630 9.1831 9.1958 9.2679 9.2978 9.3310 9.3578 9.5451 9.6059 9.8418 9.8857 10.0779 10.0883 10.4084 10.4391 15.9318 15.9653 16.1625 16.1868 k = 0.5024-0.4940-0.3219 ( 2357 PWs) bands (ev): -3.6247 -3.6183 -3.6006 -3.5963 3.7464 3.7842 3.9458 3.9510 4.9979 5.0195 5.2041 5.2264 5.6496 5.6633 5.7990 5.8464 7.8029 7.8528 7.9185 7.9538 8.0009 8.0498 8.3704 8.4197 8.5876 8.6389 8.6614 8.7132 8.7752 8.8064 8.8421 8.8576 9.1836 9.1961 9.2661 9.2954 9.3384 9.3691 9.5417 9.6045 9.8328 9.8743 10.0487 10.0594 10.3641 10.3951 16.0847 16.1218 16.3241 16.3599 k = 0.5025-0.4939-0.3354 ( 2361 PWs) bands (ev): -3.6169 -3.6104 -3.5944 -3.5899 3.7934 3.8321 3.9917 3.9985 4.9529 4.9734 5.1734 5.1959 5.6019 5.6160 5.7466 5.7899 7.8039 7.8580 7.9103 7.9556 7.9993 8.0372 8.3745 8.4226 8.5924 8.6306 8.6673 8.7069 8.7607 8.7901 8.8318 8.8528 9.1841 9.1966 9.2637 9.2914 9.3452 9.3787 9.5409 9.6044 9.8245 9.8635 10.0223 10.0332 10.3215 10.3528 16.2330 16.2738 16.4748 16.5255 k = 0.5026-0.4938-0.3488 ( 2360 PWs) bands (ev): -3.6094 -3.6029 -3.5886 -3.5839 3.8412 3.8805 4.0383 4.0474 4.9088 4.9288 5.1455 5.1681 5.5519 5.5667 5.6951 5.7336 7.8038 7.8612 7.8982 7.9522 8.0048 8.0317 8.3795 8.4263 8.5971 8.6213 8.6737 8.7007 8.7472 8.7726 8.8238 8.8487 9.1848 9.1973 9.2608 9.2866 9.3508 9.3859 9.5434 9.6060 9.8169 9.8535 9.9987 10.0097 10.2810 10.3123 16.3752 16.4196 16.6121 16.6792 k = 0.5027-0.4937-0.3622 ( 2354 PWs) bands (ev): -3.6022 -3.5957 -3.5831 -3.5782 3.8897 3.9291 4.0856 4.0976 4.8655 4.8861 5.1206 5.1431 5.4999 5.5155 5.6447 5.6780 7.8031 7.8628 7.8847 7.9444 8.0138 8.0330 8.3855 8.4308 8.6010 8.6117 8.6789 8.6958 8.7349 8.7551 8.8174 8.8449 9.1857 9.1982 9.2574 9.2811 9.3548 9.3902 9.5495 9.6094 9.8099 9.8441 9.9780 9.9889 10.2424 10.2738 16.5097 16.5571 16.7346 16.8167 k = 0.5028-0.4936-0.3756 ( 2356 PWs) bands (ev): -3.5955 -3.5889 -3.5780 -3.5730 3.9385 3.9777 4.1329 4.1488 4.8228 4.8455 5.0988 5.1210 5.4465 5.4627 5.5957 5.6237 7.8019 7.8627 7.8716 7.9343 8.0239 8.0389 8.3923 8.4361 8.6001 8.6051 8.6787 8.6962 8.7245 8.7385 8.8118 8.8413 9.1865 9.1992 9.2535 9.2751 9.3570 9.3916 9.5593 9.6149 9.8034 9.8352 9.9600 9.9707 10.2061 10.2371 16.6346 16.6837 16.8433 16.9358 k = 0.5029-0.4935-0.3890 ( 2354 PWs) bands (ev): -3.5892 -3.5826 -3.5733 -3.5682 3.9874 4.0258 4.1800 4.2009 4.7808 4.8073 5.0803 5.1017 5.3923 5.4089 5.5484 5.5711 7.8003 7.8566 7.8647 7.9235 8.0343 8.0469 8.4003 8.4424 8.5902 8.6052 8.6732 8.7005 8.7156 8.7256 8.8068 8.8379 9.1875 9.2003 9.2490 9.2687 9.3576 9.3905 9.5721 9.6222 9.7972 9.8267 9.9446 9.9549 10.1721 10.2026 16.7482 16.7968 16.9403 17.0370 k = 0.5030-0.4934-0.4024 ( 2351 PWs) bands (ev): -3.5834 -3.5769 -3.5692 -3.5640 4.0360 4.0730 4.2262 4.2536 4.7396 4.7718 5.0649 5.0853 5.3382 5.3549 5.5032 5.5209 7.7987 7.8455 7.8635 7.9131 8.0447 8.0557 8.4093 8.4494 8.5796 8.6029 8.6661 8.7023 8.7045 8.7240 8.8021 8.8343 9.1885 9.2017 9.2440 9.2622 9.3571 9.3875 9.5874 9.6313 9.7912 9.8184 9.9317 9.9414 10.1407 10.1703 16.8488 16.8941 17.0273 17.1225 k = 0.5030-0.4933-0.4158 ( 2351 PWs) bands (ev): -3.5782 -3.5717 -3.5656 -3.5603 4.0839 4.1189 4.2705 4.3063 4.6992 4.7392 5.0526 5.0713 5.2854 5.3018 5.4604 5.4735 7.7972 7.8353 7.8626 7.9035 8.0545 8.0643 8.4191 8.4572 8.5689 8.5976 8.6584 8.6899 8.7057 8.7301 8.7973 8.8305 9.1896 9.2031 9.2386 9.2557 9.3558 9.3831 9.6044 9.6419 9.7852 9.8100 9.9211 9.9301 10.1124 10.1405 16.9353 16.9749 17.1046 17.1937 k = 0.5031-0.4932-0.4293 ( 2350 PWs) bands (ev): -3.5736 -3.5673 -3.5625 -3.5572 4.1306 4.1628 4.3117 4.3584 4.6599 4.7100 5.0427 5.0590 5.2355 5.2514 5.4206 5.4297 7.7958 7.8264 7.8619 7.8950 8.0637 8.0723 8.4297 8.4657 8.5582 8.5897 8.6508 8.6773 8.7097 8.7388 8.7924 8.8263 9.1909 9.2047 9.2331 9.2492 9.3544 9.3781 9.6225 9.6535 9.7790 9.8012 9.9126 9.9208 10.0876 10.1134 17.0074 17.0401 17.1713 17.2509 k = 0.5032-0.4931-0.4427 ( 2346 PWs) bands (ev): -3.5695 -3.5636 -3.5598 -3.5548 4.1753 4.2040 4.3482 4.4087 4.6220 4.6849 5.0340 5.0471 5.1908 5.2062 5.3846 5.3903 7.7948 7.8188 7.8615 7.8877 8.0720 8.0793 8.4408 8.4747 8.5477 8.5800 8.6439 8.6659 8.7157 8.7481 8.7871 8.8216 9.1924 9.2065 9.2275 9.2430 9.3532 9.3729 9.6413 9.6658 9.7724 9.7916 9.9061 9.9133 10.0668 10.0895 17.0656 17.0912 17.2268 17.2943 k = 0.5033-0.4930-0.4561 ( 2346 PWs) bands (ev): -3.5661 -3.5608 -3.5576 -3.5529 4.2169 4.2413 4.3785 4.4550 4.5869 4.6643 5.0246 5.0340 5.1549 5.1694 5.3532 5.3563 7.7943 7.8125 7.8614 7.8814 8.0792 8.0851 8.4523 8.4844 8.5372 8.5691 8.6383 8.6558 8.7230 8.7575 8.7813 8.8164 9.1941 9.2085 9.2221 9.2372 9.3525 9.3677 9.6602 9.6784 9.7650 9.7807 9.9014 9.9073 10.0507 10.0692 17.1110 17.1299 17.2713 17.3253 k = 0.5034-0.4929-0.4695 ( 2341 PWs) bands (ev): -3.5634 -3.5591 -3.5555 -3.5518 4.2534 4.2723 4.4020 4.4908 4.5600 4.6480 5.0130 5.0191 5.1310 5.1436 5.3276 5.3290 7.7944 7.8074 7.8619 7.8763 8.0852 8.0897 8.4639 8.4945 8.5267 8.5576 8.6345 8.6471 8.7312 8.7667 8.7748 8.8106 9.1963 9.2109 9.2170 9.2318 9.3527 9.3631 9.6788 9.6909 9.7568 9.7680 9.8983 9.9028 10.0399 10.0530 17.1449 17.1575 17.3053 17.3452 k = 0.5035-0.4928-0.4829 ( 2333 PWs) bands (ev): -3.5613 -3.5584 -3.5538 -3.5513 4.2820 4.2930 4.4215 4.4950 4.5612 4.6334 5.0017 5.0052 5.1195 5.1285 5.3093 5.3099 7.7954 7.8036 7.8632 7.8723 8.0899 8.0929 8.4754 8.5052 8.5161 8.5459 8.6329 8.6402 8.7397 8.7675 8.7758 8.8041 9.1989 9.2123 9.2138 9.2271 9.3537 9.3591 9.6966 9.7031 9.7474 9.7535 9.8966 9.8996 10.0348 10.0416 17.1683 17.1746 17.3291 17.3548 k = 0.5036-0.4927-0.4963 ( 2320 PWs) bands (ev): -3.5599 -3.5586 -3.5527 -3.5515 4.2985 4.2987 4.4419 4.4761 4.5826 4.6164 4.9965 4.9976 5.1171 5.1212 5.3002 5.3004 7.7972 7.8009 7.8653 7.8694 8.0932 8.0946 8.4868 8.5053 8.5163 8.5345 8.6330 8.6355 8.7479 8.7601 8.7842 8.7970 9.2021 9.2082 9.2170 9.2230 9.3555 9.3562 9.7127 9.7154 9.7361 9.7379 9.8962 9.8976 10.0353 10.0354 17.1820 17.1821 17.3428 17.3543 k = 0.5036-0.4927-0.4963 ( 2320 PWs) bands (ev): -3.5599 -3.5586 -3.5527 -3.5515 4.2985 4.2987 4.4419 4.4761 4.5826 4.6164 4.9965 4.9976 5.1171 5.1212 5.3002 5.3004 7.7972 7.8009 7.8653 7.8694 8.0932 8.0946 8.4868 8.5053 8.5163 8.5345 8.6330 8.6355 8.7479 8.7601 8.7842 8.7970 9.2021 9.2082 9.2170 9.2230 9.3555 9.3562 9.7127 9.7154 9.7361 9.7379 9.8962 9.8976 10.0353 10.0354 17.1820 17.1821 17.3428 17.3543 k = 0.5073-0.4890-0.4926 ( 2320 PWs) bands (ev): -3.5608 -3.5583 -3.5534 -3.5511 4.2945 4.2950 4.4238 4.4919 4.5645 4.6318 4.9979 5.0003 5.1171 5.1256 5.3054 5.3058 7.7955 7.8029 7.8634 7.8717 8.0905 8.0932 8.4776 8.5072 8.5145 8.5436 8.6336 8.6385 8.7416 8.7661 8.7774 8.8031 9.1993 9.2115 9.2142 9.2263 9.3553 9.3568 9.7014 9.7046 9.7481 9.7496 9.8963 9.8990 10.0354 10.0356 17.1747 17.1750 17.3352 17.3583 k = 0.5073-0.4890-0.4926 ( 2320 PWs) bands (ev): -3.5608 -3.5583 -3.5534 -3.5511 4.2945 4.2950 4.4238 4.4919 4.5645 4.6318 4.9979 5.0003 5.1171 5.1256 5.3054 5.3058 7.7955 7.8029 7.8634 7.8717 8.0905 8.0932 8.4776 8.5072 8.5145 8.5436 8.6336 8.6385 8.7416 8.7661 8.7774 8.8031 9.1993 9.2115 9.2142 9.2263 9.3553 9.3568 9.7014 9.7046 9.7481 9.7496 9.8963 9.8990 10.0354 10.0356 17.1747 17.1750 17.3352 17.3583 k = 0.5071-0.4795-0.4831 ( 2334 PWs) bands (ev): -3.5629 -3.5585 -3.5548 -3.5510 4.2756 4.2832 4.3927 4.5143 4.5343 4.6547 5.0045 5.0103 5.1213 5.1385 5.3235 5.3242 7.7931 7.8068 7.8606 7.8759 8.0827 8.0876 8.4617 8.4916 8.5301 8.5592 8.6367 8.6464 8.7306 8.7650 8.7761 8.8128 9.1951 9.2098 9.2176 9.2322 9.3544 9.3590 9.6816 9.6869 9.7668 9.7719 9.8977 9.9027 10.0350 10.0401 17.1482 17.1524 17.3170 17.3606 k = 0.5070-0.4701-0.4736 ( 2340 PWs) bands (ev): -3.5656 -3.5600 -3.5562 -3.5515 4.2453 4.2586 4.3640 4.4908 4.5453 4.6722 5.0160 5.0256 5.1336 5.1609 5.3526 5.3536 7.7916 7.8118 7.8586 7.8810 8.0717 8.0785 8.4458 8.4764 8.5454 8.5745 8.6430 8.6575 8.7200 8.7519 8.7857 8.8218 9.1916 9.2059 9.2243 9.2387 9.3538 9.3622 9.6618 9.6700 9.7838 9.7946 9.9010 9.9081 10.0377 10.0481 17.1065 17.1140 17.2910 17.3563 k = 0.5069-0.4606-0.4640 ( 2340 PWs) bands (ev): -3.5689 -3.5628 -3.5577 -3.5527 4.2067 4.2242 4.3368 4.4529 4.5665 4.6851 5.0286 5.0416 5.1573 5.1950 5.3907 5.3920 7.7908 7.8177 7.8573 7.8871 8.0579 8.0664 8.4302 8.4616 8.5604 8.5886 8.6518 8.6708 8.7111 8.7383 8.7950 8.8302 9.1889 9.2026 9.2314 9.2459 9.3537 9.3660 9.6428 9.6536 9.7994 9.8165 9.9063 9.9153 10.0441 10.0601 17.0502 17.0602 17.2568 17.3446 k = 0.5067-0.4511-0.4545 ( 2345 PWs) bands (ev): -3.5729 -3.5666 -3.5597 -3.5547 4.1628 4.1838 4.3090 4.4134 4.5862 4.6954 5.0397 5.0549 5.1944 5.2406 5.4358 5.4375 7.7908 7.8243 7.8568 7.8938 8.0419 8.0517 8.4150 8.4472 8.5750 8.5999 8.6617 8.6847 8.7067 8.7246 8.8040 8.8380 9.1867 9.1995 9.2387 9.2534 9.3539 9.3700 9.6247 9.6378 9.8132 9.8369 9.9137 9.9243 10.0549 10.0762 16.9804 16.9920 17.2133 17.3219 k = 0.5066-0.4416-0.4449 ( 2349 PWs) bands (ev): -3.5776 -3.5710 -3.5623 -3.5574 4.1161 4.1401 4.2795 4.3732 4.6049 4.7047 5.0492 5.0651 5.2431 5.2958 5.4860 5.4881 7.7913 7.8317 7.8568 7.9011 8.0241 8.0352 8.4002 8.4333 8.5891 8.6066 8.6708 8.6948 8.7103 8.7149 8.8131 8.8454 9.1850 9.1967 9.2460 9.2612 9.3542 9.3741 9.6077 9.6230 9.8251 9.8550 9.9233 9.9351 10.0708 10.0968 16.8983 16.9112 17.1589 17.2791 k = 0.5064-0.4322-0.4354 ( 2359 PWs) bands (ev): -3.5828 -3.5762 -3.5655 -3.5608 4.0687 4.0949 4.2484 4.3326 4.6233 4.7143 5.0577 5.0737 5.3000 5.3579 5.5399 5.5426 7.7923 7.8397 7.8573 7.9089 8.0052 8.0176 8.3858 8.4199 8.6024 8.6065 8.6794 8.6907 8.7164 8.7261 8.8224 8.8526 9.1836 9.1941 9.2530 9.2691 9.3545 9.3776 9.5918 9.6092 9.8350 9.8704 9.9352 9.9480 10.0922 10.1219 16.8058 16.8194 17.0923 17.2094 k = 0.5063-0.4227-0.4258 ( 2362 PWs) bands (ev): -3.5887 -3.5820 -3.5694 -3.5648 4.0216 4.0495 4.2162 4.2923 4.6419 4.7250 5.0657 5.0816 5.3624 5.4247 5.5964 5.5997 7.7938 7.8479 7.8587 7.9163 7.9858 8.0001 8.3721 8.4071 8.6005 8.6145 8.6796 8.6902 8.7311 8.7418 8.8323 8.8597 9.1826 9.1917 9.2598 9.2770 9.3545 9.3804 9.5772 9.5969 9.8430 9.8831 9.9497 9.9633 10.1194 10.1515 16.7045 16.7184 17.0123 17.1173 k = 0.5062-0.4132-0.4163 ( 2362 PWs) bands (ev): -3.5952 -3.5885 -3.5740 -3.5696 3.9758 4.0048 4.1834 4.2526 4.6611 4.7374 5.0737 5.0895 5.4284 5.4946 5.6547 5.6584 7.7958 7.8544 7.8621 7.9218 7.9669 7.9850 8.3591 8.3949 8.5909 8.6225 8.6717 8.7032 8.7484 8.7575 8.8429 8.8668 9.1820 9.1894 9.2663 9.2848 9.3541 9.3821 9.5640 9.5861 9.8493 9.8932 9.9669 9.9810 10.1522 10.1853 16.5960 16.6100 16.9189 17.0088 k = 0.5060-0.4037-0.4067 ( 2362 PWs) bands (ev): -3.6022 -3.5956 -3.5792 -3.5750 3.9317 3.9614 4.1507 4.2140 4.6813 4.7514 5.0819 5.0977 5.4963 5.5663 5.7138 5.7180 7.7979 7.8575 7.8681 7.9212 7.9498 7.9766 8.3468 8.3835 8.5798 8.6226 8.6716 8.7177 8.7661 8.7725 8.8544 8.8739 9.1814 9.1871 9.2722 9.2921 9.3532 9.3825 9.5521 9.5771 9.8542 9.9011 9.9871 10.0014 10.1900 10.2232 16.4820 16.4959 16.8132 16.8879 k = 0.5059-0.3943-0.3972 ( 2362 PWs) bands (ev): -3.6099 -3.6033 -3.5850 -3.5810 3.8898 3.9200 4.1185 4.1768 4.7025 4.7674 5.0904 5.1063 5.5652 5.6387 5.7733 5.7777 7.8003 7.8589 7.8719 7.9111 7.9377 7.9785 8.3353 8.3727 8.5683 8.6155 8.6793 8.7330 8.7826 8.7873 8.8667 8.8811 9.1809 9.1848 9.2773 9.2986 9.3518 9.3817 9.5416 9.5700 9.8579 9.9073 10.0106 10.0247 10.2324 10.2648 16.3640 16.3775 16.6971 16.7581 k = 0.5057-0.3848-0.3876 ( 2363 PWs) bands (ev): -3.6182 -3.6116 -3.5914 -3.5877 3.8505 3.8810 4.0874 4.1413 4.7249 4.7852 5.0993 5.1155 5.6341 5.7110 5.8324 5.8370 7.8026 7.8589 7.8689 7.8951 7.9351 7.9875 8.3247 8.3628 8.5573 8.6054 8.6907 8.7489 8.7962 8.8033 8.8796 8.8885 9.1801 9.1827 9.2812 9.3036 9.3503 9.3800 9.5325 9.5647 9.8607 9.9120 10.0374 10.0509 10.2787 10.3099 16.2433 16.2563 16.5728 16.6221 k = 0.5056-0.3753-0.3781 ( 2367 PWs) bands (ev): -3.6270 -3.6204 -3.5985 -3.5949 3.8140 3.8445 4.0576 4.1077 4.7485 4.8049 5.1087 5.1252 5.7021 5.7823 5.8908 5.8953 7.8047 7.8527 7.8623 7.8784 7.9420 8.0002 8.3151 8.3537 8.5472 8.5949 8.7033 8.7650 8.8076 8.8195 8.8927 8.8963 9.1782 9.1817 9.2835 9.3063 9.3491 9.3784 9.5246 9.5611 9.8628 9.9158 10.0675 10.0802 10.3287 10.3583 16.1211 16.1335 16.4427 16.4823 k = 0.5055-0.3658-0.3686 ( 2372 PWs) bands (ev): -3.6363 -3.6299 -3.6061 -3.6028 3.7805 3.8110 4.0295 4.0763 4.7733 4.8264 5.1185 5.1354 5.7686 5.8520 5.9479 5.9522 7.8060 7.8389 7.8512 7.8698 7.9548 8.0149 8.3066 8.3456 8.5384 8.5850 8.7162 8.7810 8.8179 8.8350 8.9031 8.9070 9.1754 9.1813 9.2836 9.3060 9.3485 9.3777 9.5180 9.5591 9.8645 9.9188 10.1008 10.1124 10.3819 10.4098 15.9987 16.0105 16.3089 16.3406 k = 0.5053-0.3564-0.3590 ( 2372 PWs) bands (ev): -3.6462 -3.6399 -3.6142 -3.6111 3.7502 3.7804 4.0034 4.0472 4.7993 4.8496 5.1287 5.1462 5.8329 5.9195 6.0034 6.0075 7.8045 7.8251 7.8340 7.8687 7.9708 8.0310 8.2994 8.3386 8.5311 8.5764 8.7290 8.7968 8.8275 8.8497 8.9116 8.9202 9.1721 9.1811 9.2814 9.3024 9.3488 9.3789 9.5126 9.5583 9.8659 9.9213 10.1371 10.1476 10.4381 10.4642 15.8771 15.8881 16.1731 16.1985 k = 0.5052-0.3469-0.3495 ( 2369 PWs) bands (ev): -3.6566 -3.6504 -3.6229 -3.6200 3.7231 3.7531 3.9795 4.0206 4.8266 4.8744 5.1393 5.1575 5.8944 5.9840 6.0567 6.0609 7.7951 7.8134 7.8212 7.8687 7.9890 8.0482 8.2935 8.3328 8.5256 8.5693 8.7414 8.8118 8.8365 8.8636 8.9206 8.9335 9.1684 9.1809 9.2769 9.2959 9.3496 9.3817 9.5083 9.5587 9.8673 9.9236 10.1764 10.1855 10.4970 10.5211 15.7573 15.7676 16.0371 16.0575 k = 0.5050-0.3374-0.3399 ( 2367 PWs) bands (ev): -3.6675 -3.6614 -3.6320 -3.6294 3.6993 3.7292 3.9578 3.9965 4.8549 4.9007 5.1503 5.1693 5.9525 6.0448 6.1073 6.1122 7.7801 7.7964 7.8198 7.8688 8.0087 8.0662 8.2893 8.3282 8.5219 8.5638 8.7533 8.8256 8.8452 8.8769 8.9302 8.9466 9.1644 9.1806 9.2705 9.2870 9.3510 9.3857 9.5053 9.5601 9.8688 9.9256 10.2182 10.2261 10.5582 10.5804 15.6402 15.6497 15.9021 15.9186 k = 0.5049-0.3279-0.3304 ( 2363 PWs) bands (ev): -3.6789 -3.6729 -3.6416 -3.6392 3.6791 3.7086 3.9386 3.9750 4.8842 4.9286 5.1616 5.1815 6.0068 6.1015 6.1551 6.1614 7.7643 7.7796 7.8205 7.8688 8.0297 8.0847 8.2867 8.3249 8.5201 8.5601 8.7645 8.8375 8.8539 8.8898 8.9409 8.9594 9.1598 9.1801 9.2628 9.2765 9.3526 9.3901 9.5037 9.5621 9.8706 9.9276 10.2622 10.2690 10.6214 10.6417 15.5267 15.5356 15.7694 15.7828 k = 0.5048-0.3185-0.3208 ( 2367 PWs) bands (ev): -3.6906 -3.6848 -3.6516 -3.6494 3.6623 3.6916 3.9219 3.9563 4.9145 4.9577 5.1732 5.1942 6.0568 6.1532 6.1998 6.2081 7.7488 7.7636 7.8215 7.8684 8.0517 8.1034 8.2860 8.3229 8.5200 8.5582 8.7749 8.8469 8.8628 8.9024 8.9527 8.9721 9.1548 9.1791 9.2543 9.2651 9.3542 9.3940 9.5036 9.5647 9.8728 9.9296 10.3081 10.3141 10.6862 10.7045 15.4178 15.4259 15.6401 15.6510 k = 0.5046-0.3090-0.3113 ( 2369 PWs) bands (ev): -3.7028 -3.6972 -3.6620 -3.6600 3.6491 3.6780 3.9078 3.9402 4.9457 4.9881 5.1850 5.2072 6.1023 6.1996 6.2413 6.2519 7.7343 7.7488 7.8223 7.8678 8.0745 8.1221 8.2874 8.3224 8.5217 8.5581 8.7845 8.8540 8.8717 8.9148 8.9659 8.9847 9.1493 9.1774 9.2454 9.2533 9.3558 9.3972 9.5053 9.5677 9.8755 9.9316 10.3554 10.3609 10.7521 10.7685 15.3141 15.3216 15.5153 15.5243 k = 0.5045-0.2995-0.3017 ( 2370 PWs) bands (ev): -3.7153 -3.7099 -3.6727 -3.6709 3.6395 3.6681 3.8963 3.9270 4.9776 5.0196 5.1970 5.2205 6.1430 6.2405 6.2795 6.2924 7.7209 7.7354 7.8231 7.8672 8.0978 8.1406 8.2911 8.3234 8.5250 8.5599 8.7932 8.8594 8.8801 8.9270 8.9804 8.9973 9.1432 9.1746 9.2367 9.2420 9.3573 9.3993 9.5089 9.5709 9.8790 9.9339 10.4037 10.4090 10.8187 10.8331 15.2164 15.2235 15.3958 15.4036 k = 0.5043-0.2900-0.2922 ( 2369 PWs) bands (ev): -3.7282 -3.7229 -3.6837 -3.6821 3.6334 3.6617 3.8876 3.9165 5.0100 5.0520 5.2092 5.2342 6.1787 6.2757 6.3141 6.3292 7.7087 7.7233 7.8238 7.8665 8.1213 8.1585 8.2974 8.3260 8.5299 8.5634 8.8009 8.8634 8.8877 8.9389 8.9959 9.0101 9.1367 9.1700 9.2288 9.2315 9.3586 9.4002 9.5145 9.5744 9.8835 9.9365 10.4525 10.4581 10.8852 10.8977 15.1256 15.1323 15.2829 15.2898 k = 0.5042-0.2806-0.2827 ( 2366 PWs) bands (ev): -3.7413 -3.7363 -3.6950 -3.6935 3.6309 3.6590 3.8815 3.9088 5.0430 5.0854 5.2214 5.2481 6.2095 6.3056 6.3447 6.3617 7.6977 7.7126 7.8244 7.8659 8.1445 8.1759 8.3062 8.3302 8.5362 8.5687 8.8076 8.8663 8.8946 8.9503 9.0117 9.0234 9.1296 9.1631 9.2214 9.2231 9.3598 9.4001 9.5219 9.5780 9.8889 9.9396 10.5014 10.5075 10.9510 10.9615 15.0421 15.0488 15.1775 15.1839 k = 0.5041-0.2711-0.2731 ( 2364 PWs) bands (ev): -3.7547 -3.7498 -3.7065 -3.7051 3.6320 3.6598 3.8780 3.9039 5.0761 5.1194 5.2336 5.2624 6.2355 6.3303 6.3710 6.3897 7.6882 7.7034 7.8251 7.8655 8.1667 8.1929 8.3175 8.3360 8.5435 8.5754 8.8131 8.8683 8.9009 8.9612 9.0267 9.0381 9.1223 9.1537 9.2136 9.2185 9.3608 9.3991 9.5311 9.5817 9.8957 9.9432 10.5499 10.5565 11.0152 11.0238 14.9667 14.9736 15.0808 15.0870 k = 0.5039-0.2616-0.2636 ( 2365 PWs) bands (ev): -3.7683 -3.7636 -3.7182 -3.7169 3.6366 3.6641 3.8773 3.9016 5.1094 5.1540 5.2457 5.2770 6.2567 6.3502 6.3928 6.4128 7.6798 7.6954 7.8258 7.8654 8.1868 8.2101 8.3309 8.3435 8.5518 8.5834 8.8175 8.8694 8.9068 8.9717 9.0400 9.0544 9.1149 9.1424 9.2067 9.2162 9.3617 9.3973 9.5419 9.5856 9.9038 9.9476 10.5975 10.6047 11.0771 11.0836 14.8997 14.9071 14.9940 15.0005 k = 0.5038-0.2522-0.2540 ( 2361 PWs) bands (ev): -3.7820 -3.7776 -3.7300 -3.7288 3.6447 3.6720 3.8791 3.9021 5.1424 5.1889 5.2577 5.2919 6.2733 6.3655 6.4100 6.4310 7.6727 7.6888 7.8267 7.8656 8.2044 8.2281 8.3461 8.3526 8.5609 8.5928 8.8206 8.8697 8.9125 8.9818 9.0512 9.0711 9.1081 9.1300 9.2012 9.2156 9.3625 9.3950 9.5539 9.5897 9.9134 9.9530 10.6436 10.6513 11.1357 11.1401 14.8414 14.8495 14.9187 14.9256 k = 0.5036-0.2427-0.2445 ( 2359 PWs) bands (ev): -3.7958 -3.7916 -3.7418 -3.7408 3.6562 3.6833 3.8836 3.9051 5.1748 5.2239 5.2696 5.3074 6.2856 6.3763 6.4225 6.4443 7.6667 7.6831 7.8279 7.8663 8.2197 8.2466 8.3624 8.3632 8.5706 8.6031 8.8224 8.8691 8.9180 8.9915 9.0602 9.0857 9.1034 9.1180 9.1974 9.2166 9.3630 9.3923 9.5670 9.5943 9.9248 9.9596 10.6875 10.6959 11.1899 11.1923 14.7918 14.8005 14.8564 14.8640 k = 0.5035-0.2332-0.2349 ( 2360 PWs) bands (ev): -3.8097 -3.8057 -3.7538 -3.7528 3.6711 3.6980 3.8905 3.9107 5.2062 5.2586 5.2812 5.3238 6.2937 6.3828 6.4306 6.4528 7.6617 7.6785 7.8294 7.8675 8.2336 8.2646 8.3751 8.3794 8.5807 8.6142 8.8228 8.8676 8.9234 9.0006 9.0658 9.0890 9.1064 9.1103 9.1962 9.2191 9.3632 9.3894 9.5806 9.5997 9.9380 9.9677 10.7289 10.7379 11.2385 11.2396 14.7508 14.7597 14.8089 14.8171 k = 0.5034-0.2237-0.2254 ( 2358 PWs) bands (ev): -3.8236 -3.8198 -3.7657 -3.7647 3.6893 3.7161 3.8999 3.9187 5.2360 5.2902 5.2950 5.3414 6.2980 6.3850 6.4344 6.4567 7.6576 7.6747 7.8313 7.8693 8.2468 8.2818 8.3879 8.3966 8.5911 8.6258 8.8216 8.8653 8.9288 9.0091 9.0671 9.0820 9.1041 9.1195 9.1987 9.2232 9.3632 9.3862 9.5935 9.6069 9.9531 9.9776 10.7671 10.7768 11.2795 11.2822 14.7191 14.7273 14.7770 14.7855 k = 0.5032-0.2143-0.2158 ( 2358 PWs) bands (ev): -3.8374 -3.8338 -3.7776 -3.7766 3.7107 3.7374 3.9117 3.9292 5.2634 5.3027 5.3260 5.3613 6.2986 6.3831 6.4343 6.4563 7.6543 7.6717 7.8335 7.8714 8.2598 8.2978 8.4015 8.4136 8.6017 8.6376 8.8188 8.8622 8.9341 9.0169 9.0627 9.0757 9.1046 9.1273 9.2059 9.2291 9.3627 9.3828 9.6037 9.6178 9.9701 9.9900 10.8016 10.8120 11.3132 11.3184 14.6979 14.7050 14.7594 14.7687 k = 0.5031-0.2048-0.2063 ( 2364 PWs) bands (ev): -3.8512 -3.8477 -3.7893 -3.7884 3.7353 3.7619 3.9257 3.9419 5.2877 5.3134 5.3561 5.3847 6.2959 6.3772 6.4307 6.4519 7.6517 7.6693 7.8360 7.8739 8.2728 8.3127 8.4153 8.4300 8.6120 8.6492 8.8141 8.8583 8.9390 9.0235 9.0532 9.0744 9.1058 9.1313 9.2173 9.2368 9.3621 9.3790 9.6115 9.6316 9.9887 10.0053 10.8322 10.8434 11.3394 11.3472 14.6881 14.6946 14.7542 14.7657 k = 0.5029-0.1953-0.1968 ( 2364 PWs) bands (ev): -3.8648 -3.8615 -3.8009 -3.8000 3.7628 3.7894 3.9419 3.9567 5.3080 5.3238 5.3834 5.4119 6.2901 6.3674 6.4242 6.4438 7.6498 7.6674 7.8390 7.8770 8.2859 8.3265 8.4290 8.4460 8.6219 8.6601 8.8078 8.8539 8.9436 9.0287 9.0434 9.0766 9.1061 9.1329 9.2314 9.2466 9.3613 9.3751 9.6188 9.6462 10.0087 10.0244 10.8586 10.8706 11.3581 11.3686 14.6904 14.6972 14.7601 14.7750 k = 0.5028-0.1858-0.1872 ( 2363 PWs) bands (ev): -3.8781 -3.8751 -3.8124 -3.8115 3.7932 3.8199 3.9601 3.9736 5.3237 5.3349 5.4088 5.4412 6.2816 6.3540 6.4152 6.4324 7.6485 7.6661 7.8422 7.8803 8.2991 8.3396 8.4424 8.4614 8.6308 8.6697 8.7998 8.8490 8.9475 9.0298 9.0384 9.0808 9.1055 9.1335 9.2462 9.2588 9.3607 9.3711 9.6259 9.6606 10.0298 10.0472 10.8805 10.8934 11.3691 11.3825 14.7040 14.7124 14.7755 14.7954 k = 0.5027-0.1764-0.1777 ( 2358 PWs) bands (ev): -3.8912 -3.8884 -3.8235 -3.8226 3.8263 3.8532 3.9802 3.9923 5.3348 5.3466 5.4330 5.4706 6.2706 6.3375 6.4040 6.4181 7.6475 7.6651 7.8456 7.8839 8.3123 8.3519 8.4553 8.4766 8.6384 8.6777 8.7903 8.8439 8.9507 9.0242 9.0421 9.0851 9.1050 9.1342 9.2598 9.2739 9.3598 9.3675 9.6330 9.6742 10.0528 10.0735 10.8981 10.9118 11.3732 11.3895 14.7273 14.7385 14.7993 14.8254 k = 0.5025-0.1669-0.1681 ( 2360 PWs) bands (ev): -3.9040 -3.9013 -3.8344 -3.8335 3.8619 3.8891 4.0021 4.0128 5.3431 5.3578 5.4559 5.4989 6.2575 6.3182 6.3910 6.4014 7.6471 7.6644 7.8493 7.8877 8.3255 8.3635 8.4675 8.4915 8.6440 8.6831 8.7798 8.8384 8.9526 9.0191 9.0483 9.0862 9.1075 9.1358 9.2720 9.2908 9.3575 9.3659 9.6398 9.6867 10.0778 10.1025 10.9112 10.9258 11.3708 11.3900 14.7563 14.7707 14.8319 14.8631 k = 0.5024-0.1574-0.1586 ( 2356 PWs) bands (ev): -3.9165 -3.9139 -3.8450 -3.8441 3.8999 3.9274 4.0257 4.0349 5.3500 5.3675 5.4771 5.5252 6.2425 6.2968 6.3765 6.3827 7.6469 7.6641 7.8532 7.8916 8.3384 8.3746 8.4790 8.5067 8.6472 8.6857 8.7686 8.8325 8.9531 9.0162 9.0562 9.0833 9.1141 9.1386 9.2834 9.3083 9.3536 9.3673 9.6463 9.6979 10.1049 10.1336 10.9201 10.9354 11.3632 11.3853 14.7824 14.8003 14.8763 14.9062 k = 0.5022-0.1479-0.1490 ( 2357 PWs) bands (ev): -3.9285 -3.9261 -3.8552 -3.8543 3.9399 3.9680 4.0507 4.0585 5.3556 5.3757 5.4959 5.5489 6.2261 6.2740 6.3607 6.3624 7.6471 7.6639 7.8574 7.8957 8.3507 8.3853 8.4898 8.5221 8.6476 8.6847 8.7577 8.8260 8.9517 9.0155 9.0655 9.0795 9.1224 9.1428 9.2938 9.3257 9.3491 9.3709 9.6522 9.7078 10.1337 10.1663 10.9252 10.9410 11.3514 11.3762 14.7924 14.8170 14.9344 14.9507 k = 0.5021-0.1385-0.1395 ( 2355 PWs) bands (ev): -3.9400 -3.9378 -3.8649 -3.8641 3.9818 4.0106 4.0771 4.0834 5.3601 5.3822 5.5117 5.5694 6.2084 6.2507 6.3411 6.3441 7.6475 7.6639 7.8618 7.9000 8.3626 8.3957 8.5000 8.5378 8.6452 8.6800 8.7478 8.8188 8.9482 9.0160 9.0722 9.0816 9.1312 9.1484 9.3034 9.3422 9.3450 9.3771 9.6572 9.7163 10.1637 10.1997 10.9269 10.9429 11.3367 11.3639 14.7783 14.8096 14.9713 14.9994 k = 0.5020-0.1290-0.1299 ( 2355 PWs) bands (ev): -3.9510 -3.9490 -3.8743 -3.8734 4.0249 4.0548 4.1047 4.1097 5.3635 5.3871 5.5238 5.5857 6.1901 6.2279 6.3193 6.3267 7.6481 7.6641 7.8665 7.9044 8.3736 8.4058 8.5099 8.5536 8.6401 8.6716 8.7395 8.8108 8.9425 9.0149 9.0748 9.0938 9.1399 9.1549 9.3120 9.3413 9.3576 9.3860 9.6614 9.7234 10.1942 10.2333 10.9258 10.9416 11.3201 11.3495 14.7405 14.7742 14.9102 14.9173 k = 0.5018-0.1195-0.1204 ( 2355 PWs) bands (ev): -3.9615 -3.9596 -3.8831 -3.8823 4.0685 4.0997 4.1333 4.1383 5.3658 5.3904 5.5318 5.5972 6.1717 6.2063 6.2974 6.3089 7.6488 7.6642 7.8718 7.9091 8.3837 8.4157 8.5194 8.5694 8.6327 8.6604 8.7327 8.8018 8.9349 9.0101 9.0823 9.1089 9.1485 9.1621 9.3196 9.3385 9.3709 9.3980 9.6645 9.7292 10.2242 10.2659 10.9229 10.9381 11.3029 11.3340 14.6848 14.7185 14.8121 14.8174 k = 0.5017-0.1100-0.1108 ( 2361 PWs) bands (ev): -3.9714 -3.9697 -3.8914 -3.8907 4.1114 4.1429 4.1640 4.1707 5.3670 5.3921 5.5352 5.6031 6.1540 6.1867 6.2758 6.2910 7.6495 7.6643 7.8774 7.9139 8.3929 8.4253 8.5284 8.5837 8.6240 8.6481 8.7270 8.7921 8.9257 9.0016 9.0954 9.1250 9.1573 9.1693 9.3262 9.3369 9.3826 9.4123 9.6664 9.7335 10.2527 10.2966 10.9192 10.9333 11.2858 11.3180 14.6177 14.6523 14.7125 14.7205 k = 0.5015-0.1006-0.1013 ( 2361 PWs) bands (ev): -3.9806 -3.9790 -3.8992 -3.8985 4.1517 4.1781 4.2011 4.2093 5.3672 5.3924 5.5337 5.6027 6.1380 6.1695 6.2550 6.2732 7.6504 7.6644 7.8836 7.9191 8.4013 8.4345 8.5366 8.5922 8.6171 8.6384 8.7221 8.7818 8.9152 8.9906 9.1123 9.1408 9.1670 9.1762 9.3316 9.3376 9.3935 9.4282 9.6670 9.7365 10.2787 10.3242 10.9157 10.9288 11.2692 11.3023 14.5444 14.5819 14.6167 14.6290 k = 0.5014-0.0911-0.0918 ( 2359 PWs) bands (ev): -3.9892 -3.9877 -3.9064 -3.9058 4.1875 4.2068 4.2430 4.2548 5.3666 5.3912 5.5272 5.5958 6.1248 6.1549 6.2354 6.2558 7.6512 7.6643 7.8903 7.9244 8.4090 8.4431 8.5431 8.5867 8.6137 8.6396 8.7178 8.7710 8.9037 8.9779 9.1312 9.1546 9.1787 9.1831 9.3346 9.3416 9.4042 9.4450 9.6662 9.7379 10.3013 10.3475 10.9138 10.9262 11.2536 11.2870 14.4686 14.5096 14.5272 14.5447 k = 0.5013-0.0816-0.0822 ( 2358 PWs) bands (ev): -3.9970 -3.9957 -3.9130 -3.9124 4.2190 4.2331 4.2880 4.3029 5.3650 5.3886 5.5159 5.5822 6.1148 6.1429 6.2170 6.2391 7.6520 7.6641 7.8976 7.9299 8.4160 8.4510 8.5463 8.5730 8.6102 8.6520 8.7141 8.7599 8.8914 8.9642 9.1492 9.1667 9.1869 9.1962 9.3372 9.3470 9.4149 9.4622 9.6638 9.7376 10.3195 10.3655 10.9144 10.9268 11.2389 11.2723 14.3930 14.4313 14.4515 14.4684 k = 0.5011-0.0721-0.0727 ( 2358 PWs) bands (ev): -4.0041 -4.0030 -3.9190 -3.9185 4.2473 4.2579 4.3345 4.3513 5.3627 5.3849 5.5003 5.5626 6.1083 6.1334 6.2002 6.2233 7.6528 7.6637 7.9053 7.9355 8.4223 8.4582 8.5450 8.5568 8.6103 8.6680 8.7113 8.7488 8.8784 8.9497 9.1616 9.1798 9.1939 9.2136 9.3404 9.3525 9.4258 9.4798 9.6596 9.7356 10.3330 10.3775 10.9184 10.9317 11.2251 11.2582 14.3201 14.3520 14.3870 14.3999 k = 0.5010-0.0627-0.0631 ( 2358 PWs) bands (ev): -4.0104 -4.0094 -3.9243 -3.9238 4.2729 4.2810 4.3811 4.3987 5.3598 5.3804 5.4812 5.5380 6.1048 6.1264 6.1849 6.2086 7.6535 7.6632 7.9134 7.9410 8.4279 8.4646 8.5386 8.5413 8.6145 8.6848 8.7097 8.7382 8.8651 8.9346 9.1686 9.1879 9.2084 9.2313 9.3445 9.3577 9.4372 9.4979 9.6536 9.7315 10.3419 10.3837 10.9264 10.9412 11.2120 11.2445 14.2520 14.2783 14.3290 14.3389 k = 0.5008-0.0532-0.0536 ( 2360 PWs) bands (ev): -4.0159 -4.0151 -3.9290 -3.9285 4.2959 4.3021 4.4264 4.4442 5.3563 5.3756 5.4597 5.5100 6.1036 6.1218 6.1712 6.1952 7.6541 7.6625 7.9215 7.9462 8.4326 8.4704 8.5231 8.5334 8.6212 8.6997 8.7106 8.7291 8.8515 8.9190 9.1732 9.1906 9.2274 9.2481 9.3491 9.3623 9.4493 9.5163 9.6458 9.7254 10.3467 10.3847 10.9381 10.9547 11.1994 11.2311 14.1905 14.2120 14.2777 14.2854 k = 0.5007-0.0437-0.0440 ( 2364 PWs) bands (ev): -4.0206 -4.0199 -3.9329 -3.9326 4.3161 4.3209 4.4694 4.4863 5.3523 5.3711 5.4371 5.4804 6.1038 6.1197 6.1592 6.1831 7.6547 7.6618 7.9295 7.9509 8.4365 8.4756 8.5074 8.5262 8.6286 8.7027 8.7192 8.7266 8.8379 8.9030 9.1768 9.1916 9.2459 9.2634 9.3539 9.3663 9.4626 9.5348 9.6363 9.7170 10.3486 10.3816 10.9528 10.9708 11.1875 11.2178 14.1366 14.1541 14.2333 14.2394 k = 0.5006-0.0342-0.0345 ( 2364 PWs) bands (ev): -4.0245 -4.0239 -3.9362 -3.9359 4.3334 4.3369 4.5085 4.5238 5.3479 5.3677 5.4148 5.4512 6.1048 6.1197 6.1488 6.1725 7.6552 7.6609 7.9372 7.9549 8.4396 8.4803 8.4932 8.5196 8.6359 8.6969 8.7229 8.7402 8.8246 8.8867 9.1797 9.1918 9.2624 9.2763 9.3587 9.3695 9.4773 9.5528 9.6258 9.7064 10.3486 10.3760 10.9696 10.9881 11.1763 11.2045 14.0916 14.1053 14.1965 14.2012 k = 0.5004-0.0248-0.0249 ( 2368 PWs) bands (ev): -4.0275 -4.0271 -3.9387 -3.9385 4.3473 4.3498 4.5422 4.5550 5.3437 5.3660 5.3939 5.4247 6.1063 6.1213 6.1404 6.1631 7.6557 7.6600 7.9441 7.9577 8.4423 8.4795 8.4859 8.5138 8.6428 8.6885 8.7290 8.7555 8.8125 8.8702 9.1821 9.1914 9.2760 9.2865 9.3631 9.3717 9.4934 9.5677 9.6167 9.6937 10.3481 10.3691 10.9868 11.0045 11.1666 11.1913 14.0560 14.0662 14.1675 14.1711 k = 0.5003-0.0153-0.0154 ( 2372 PWs) bands (ev): -4.0296 -4.0294 -3.9405 -3.9404 4.3576 4.3591 4.5689 4.5782 5.3411 5.3663 5.3754 5.4030 6.1083 6.1220 6.1357 6.1549 7.6563 7.6592 7.9500 7.9593 8.4450 8.4690 8.4902 8.5087 8.6495 8.6797 8.7377 8.7668 8.8049 8.8536 9.1842 9.1904 9.2864 9.2934 9.3670 9.3729 9.5107 9.5720 9.6165 9.6789 10.3480 10.3622 11.0030 11.0176 11.1594 11.1786 14.0307 14.0374 14.1468 14.1491 k = 0.5001-0.0058-0.0059 ( 2372 PWs) bands (ev): -4.0309 -4.0308 -3.9416 -3.9415 4.3640 4.3648 4.5869 4.5918 5.3420 5.3587 5.3704 5.3872 6.1112 6.1192 6.1369 6.1477 7.6569 7.6583 7.9546 7.9593 8.4486 8.4603 8.4948 8.5040 8.6563 8.6714 8.7480 8.7671 8.8085 8.8371 9.1861 9.1893 9.2934 9.2969 9.3700 9.3731 9.5287 9.5623 9.6287 9.6627 10.3491 10.3563 11.0162 11.0247 11.1567 11.1675 14.0159 14.0193 14.1345 14.1357 k = 0.5000 0.0037 0.0037 ( 2376 PWs) bands (ev): -4.0313 -4.0313 -3.9419 -3.9419 4.3664 4.3664 4.5948 4.5948 5.3477 5.3477 5.3766 5.3766 6.1150 6.1150 6.1416 6.1416 7.6575 7.6575 7.9577 7.9577 8.4535 8.4535 8.4993 8.4993 8.6636 8.6636 8.7586 8.7586 8.8214 8.8214 9.1878 9.1878 9.2969 9.2969 9.3721 9.3721 9.5464 9.5464 9.6455 9.6455 10.3518 10.3518 11.0241 11.0241 11.1595 11.1595 14.0121 14.0121 14.1308 14.1308 k = 0.5000 0.0037 0.0037 ( 2376 PWs) bands (ev): -4.0313 -4.0313 -3.9419 -3.9419 4.3664 4.3664 4.5948 4.5948 5.3477 5.3477 5.3766 5.3766 6.1150 6.1150 6.1416 6.1416 7.6575 7.6575 7.9577 7.9577 8.4535 8.4535 8.4993 8.4993 8.6636 8.6636 8.7586 8.7586 8.8214 8.8214 9.1878 9.1878 9.2969 9.2969 9.3721 9.3721 9.5464 9.5464 9.6455 9.6455 10.3518 10.3518 11.0241 11.0241 11.1595 11.1595 14.0121 14.0121 14.1308 14.1308 k = 0.5000-0.0058 0.0131 ( 2374 PWs) bands (ev): -4.0309 -4.0308 -3.9416 -3.9415 4.3645 4.3650 4.5877 4.5924 5.3484 5.3505 5.3730 5.3842 6.1112 6.1186 6.1399 6.1439 7.6577 7.6582 7.9579 7.9586 8.4522 8.4550 8.4964 8.5016 8.6618 8.6655 8.7579 8.7584 8.8203 8.8216 9.1868 9.1882 9.2950 9.2992 9.3716 9.3743 9.5437 9.5463 9.6442 9.6449 10.3500 10.3539 11.0236 11.0247 11.1593 11.1594 14.0164 14.0185 14.1346 14.1351 k = 0.5000-0.0152 0.0224 ( 2374 PWs) bands (ev): -4.0296 -4.0294 -3.9406 -3.9404 4.3592 4.3603 4.5717 4.5808 5.3522 5.3553 5.3734 5.3965 6.1073 6.1220 6.1389 6.1471 7.6589 7.6599 7.9592 7.9605 8.4510 8.4564 8.4929 8.5033 8.6603 8.6675 8.7565 8.7572 8.8185 8.8209 9.1853 9.1879 9.2934 9.3018 9.3728 9.3785 9.5383 9.5432 9.6412 9.6425 10.3483 10.3559 11.0235 11.0258 11.1586 11.1589 14.0314 14.0356 14.1464 14.1475 k = 0.5000-0.0246 0.0318 ( 2374 PWs) bands (ev): -4.0274 -4.0272 -3.9388 -3.9387 4.3508 4.3524 4.5478 4.5606 5.3563 5.3606 5.3797 5.4136 6.1033 6.1248 6.1389 6.1514 7.6610 7.6626 7.9616 7.9636 8.4499 8.4579 8.4889 8.5042 8.6589 8.6697 8.7543 8.7549 8.8159 8.8193 9.1835 9.1868 9.2918 9.3043 9.3760 9.3848 9.5303 9.5375 9.6366 9.6384 10.3461 10.3572 11.0244 11.0278 11.1576 11.1579 14.0569 14.0630 14.1662 14.1677 k = 0.5000-0.0341 0.0412 ( 2374 PWs) bands (ev): -4.0243 -4.0241 -3.9364 -3.9362 4.3394 4.3415 4.5174 4.5332 5.3589 5.3660 5.3925 5.4346 6.0992 6.1271 6.1398 6.1568 7.6641 7.6662 7.9651 7.9677 8.4488 8.4592 8.4844 8.5044 8.6580 8.6722 8.7513 8.7517 8.8130 8.8170 9.1813 9.1849 9.2898 9.3061 9.3813 9.3933 9.5200 9.5292 9.6307 9.6331 10.3424 10.3567 11.0270 11.0315 11.1561 11.1566 14.0926 14.1004 14.1936 14.1957 k = 0.5000-0.0435 0.0505 ( 2372 PWs) bands (ev): -4.0204 -4.0201 -3.9333 -3.9330 4.3252 4.3280 4.4817 4.4999 5.3606 5.3709 5.4091 5.4580 6.0952 6.1288 6.1419 6.1636 7.6681 7.6708 7.9696 7.9728 8.4477 8.4602 8.4794 8.5039 8.6576 8.6750 8.7464 8.7486 8.8098 8.8140 9.1787 9.1820 9.2872 9.3069 9.3888 9.4040 9.5081 9.5190 9.6240 9.6266 10.3363 10.3532 11.0322 11.0377 11.1542 11.1547 14.1379 14.1471 14.2286 14.2313 k = 0.5000-0.0529 0.0599 ( 2362 PWs) bands (ev): -4.0157 -4.0153 -3.9296 -3.9292 4.3085 4.3121 4.4421 4.4620 5.3621 5.3756 5.4274 5.4819 6.0916 6.1303 6.1451 6.1714 7.6731 7.6764 7.9752 7.9790 8.4465 8.4607 8.4743 8.5027 8.6578 8.6782 8.7401 8.7453 8.8066 8.8106 9.1758 9.1782 9.2838 9.3063 9.3979 9.4162 9.4955 9.5076 9.6167 9.6193 10.3267 10.3458 11.0408 11.0472 11.1520 11.1523 14.1923 14.2025 14.2707 14.2742 k = 0.5000-0.0624 0.0692 ( 2352 PWs) bands (ev): -4.0101 -4.0096 -3.9251 -3.9247 4.2897 4.2940 4.3995 4.4209 5.3634 5.3797 5.4455 5.5048 6.0887 6.1320 6.1494 6.1801 7.6789 7.6829 7.9817 7.9862 8.4449 8.4607 8.4689 8.5006 8.6587 8.6820 8.7326 8.7419 8.8037 8.8069 9.1726 9.1734 9.2796 9.3044 9.4077 9.4284 9.4840 9.4961 9.6090 9.6112 10.3127 10.3335 11.0535 11.0607 11.1493 11.1494 14.2551 14.2656 14.3196 14.3241 k = 0.5000-0.0718 0.0786 ( 2346 PWs) bands (ev): -4.0037 -4.0032 -3.9201 -3.9196 4.2691 4.2743 4.3551 4.3774 5.3647 5.3833 5.4620 5.5254 6.0871 6.1341 6.1546 6.1893 7.6855 7.6902 7.9891 7.9941 8.4427 8.4599 8.4636 8.4976 8.6601 8.6859 8.7238 8.7385 8.8010 8.8029 9.1676 9.1689 9.2747 9.3011 9.4158 9.4357 9.4784 9.4870 9.6013 9.6026 10.2940 10.3159 11.0700 11.0783 11.1459 11.1465 14.3257 14.3348 14.3747 14.3814 k = 0.5000-0.0812 0.0880 ( 2352 PWs) bands (ev): -3.9966 -3.9959 -3.9144 -3.9138 4.2468 4.2530 4.3094 4.3327 5.3656 5.3861 5.4759 5.5422 6.0872 6.1369 6.1606 6.1989 7.6928 7.6982 7.9971 8.0027 8.4395 8.4582 8.4587 8.4938 8.6617 8.6896 8.7144 8.7354 8.7985 8.7990 9.1606 9.1645 9.2690 9.2966 9.4183 9.4316 9.4839 9.4855 9.5934 9.5937 10.2703 10.2928 11.0892 11.0993 11.1421 11.1443 14.4031 14.4075 14.4357 14.4472 k = 0.5000-0.0907 0.0973 ( 2354 PWs) bands (ev): -3.9886 -3.9880 -3.9081 -3.9075 4.2232 4.2305 4.2634 4.2874 5.3661 5.3880 5.4863 5.5545 6.0895 6.1408 6.1671 6.2087 7.7009 7.7070 8.0059 8.0120 8.4350 8.4543 8.4560 8.4892 8.6631 8.6911 8.7064 8.7328 8.7950 8.7971 9.1526 9.1597 9.2627 9.2910 9.4130 9.4204 9.4888 9.5012 9.5840 9.5868 10.2420 10.2646 11.1066 11.1197 11.1414 11.1466 14.4799 14.4851 14.5030 14.5235 k = 0.5000-0.1001 0.1067 ( 2360 PWs) bands (ev): -3.9800 -3.9793 -3.9012 -3.9006 4.1980 4.2058 4.2188 4.2428 5.3661 5.3891 5.4927 5.5614 6.0942 6.1457 6.1740 6.2184 7.7096 7.7165 8.0153 8.0218 8.4292 8.4508 8.4527 8.4840 8.6637 8.6852 8.7049 8.7309 8.7920 8.7964 9.1436 9.1542 9.2560 9.2845 9.4024 9.4073 9.4985 9.5201 9.5741 9.5816 10.2094 10.2318 11.1127 11.1230 11.1594 11.1618 14.5501 14.5628 14.5836 14.6098 k = 0.5000-0.1095 0.1161 ( 2364 PWs) bands (ev): -3.9707 -3.9699 -3.8938 -3.8931 4.1683 4.1701 4.1871 4.2008 5.3655 5.3893 5.4948 5.5628 6.1013 6.1517 6.1809 6.2279 7.7190 7.7267 8.0252 8.0320 8.4225 8.4478 8.4485 8.4783 8.6630 8.6740 8.7073 8.7296 8.7904 8.7972 9.1335 9.1481 9.2490 9.2771 9.3898 9.3943 9.5079 9.5403 9.5641 9.5798 10.1733 10.1953 11.1084 11.1160 11.1876 11.1879 14.6180 14.6339 14.6772 14.7031 k = 0.5000-0.1190 0.1254 ( 2364 PWs) bands (ev): -3.9607 -3.9598 -3.8859 -3.8851 4.1238 4.1363 4.1629 4.1654 5.3643 5.3885 5.4925 5.5587 6.1105 6.1586 6.1878 6.2369 7.7291 7.7374 8.0356 8.0425 8.4153 8.4435 8.4452 8.4723 8.6604 8.6614 8.7096 8.7285 8.7908 8.7999 9.1226 9.1413 9.2419 9.2690 9.3767 9.3820 9.5133 9.5533 9.5618 9.5839 10.1344 10.1557 11.0996 11.1060 11.2167 11.2181 14.6814 14.7014 14.7765 14.8007 k = 0.5000-0.1284 0.1348 ( 2364 PWs) bands (ev): -3.9501 -3.9492 -3.8774 -3.8767 4.0798 4.0968 4.1369 4.1396 5.3624 5.3867 5.4859 5.5494 6.1213 6.1660 6.1944 6.2452 7.7396 7.7488 8.0461 8.0530 8.4078 8.4376 8.4426 8.4663 8.6480 8.6562 8.7104 8.7266 8.7941 8.8048 9.1110 9.1339 9.2347 9.2604 9.3639 9.3706 9.5130 9.5432 9.5827 9.5943 10.0932 10.1137 11.0877 11.0937 11.2460 11.2481 14.7357 14.7607 14.8781 14.8955 k = 0.5000-0.1378 0.1442 ( 2362 PWs) bands (ev): -3.9389 -3.9379 -3.8685 -3.8677 4.0370 4.0557 4.1118 4.1169 5.3596 5.3839 5.4753 5.5354 6.1330 6.1736 6.2004 6.2527 7.7507 7.7606 8.0567 8.0632 8.4000 8.4307 8.4400 8.4604 8.6345 8.6503 8.7095 8.7235 8.8000 8.8119 9.0989 9.1259 9.2278 9.2515 9.3518 9.3602 9.5084 9.5328 9.6037 9.6093 10.0505 10.0700 11.0730 11.0788 11.2736 11.2762 14.7747 14.8032 14.9084 14.9199 k = 0.5000-0.1473 0.1535 ( 2368 PWs) bands (ev): -3.9272 -3.9262 -3.8592 -3.8584 3.9957 4.0153 4.0883 4.0949 5.3560 5.3801 5.4610 5.5173 6.1450 6.1810 6.2056 6.2591 7.7621 7.7728 8.0670 8.0729 8.3923 8.4228 8.4371 8.4548 8.6211 8.6430 8.7069 8.7192 8.8083 8.8211 9.0866 9.1174 9.2211 9.2422 9.3405 9.3506 9.5014 9.5224 9.6244 9.6265 10.0066 10.0252 11.0553 11.0611 11.2981 11.3013 14.7925 14.8191 14.8396 14.8580 k = 0.5000-0.1567 0.1629 ( 2366 PWs) bands (ev): -3.9150 -3.9139 -3.8495 -3.8486 3.9563 3.9763 4.0662 4.0740 5.3515 5.3755 5.4436 5.4958 6.1567 6.1877 6.2100 6.2644 7.7738 7.7853 8.0768 8.0818 8.3847 8.4142 8.4340 8.4497 8.6081 8.6346 8.7029 8.7141 8.8182 8.8318 9.0743 9.1086 9.2149 9.2331 9.3301 9.3419 9.4931 9.5119 9.6446 9.6447 9.9623 9.9798 11.0345 11.0403 11.3181 11.3220 14.7703 14.7801 14.8056 14.8172 k = 0.5000-0.1662 0.1723 ( 2364 PWs) bands (ev): -3.9023 -3.9013 -3.8394 -3.8385 3.9189 3.9392 4.0455 4.0541 5.3459 5.3699 5.4236 5.4713 6.1673 6.1932 6.2131 6.2682 7.7858 7.7981 8.0860 8.0896 8.3774 8.4048 8.4304 8.4449 8.5957 8.6252 8.6978 8.7086 8.8288 8.8435 9.0621 9.0995 9.2095 9.2241 9.3205 9.3339 9.4843 9.5015 9.6630 9.6640 9.9180 9.9344 11.0103 11.0163 11.3325 11.3372 14.7154 14.7314 14.7860 14.7977 k = 0.5000-0.1756 0.1816 ( 2364 PWs) bands (ev): -3.8893 -3.8882 -3.8291 -3.8281 3.8836 3.9041 4.0262 4.0356 5.3390 5.3634 5.4018 5.4447 6.1764 6.1973 6.2148 6.2704 7.7979 7.8110 8.0943 8.0959 8.3703 8.3948 8.4261 8.4405 8.5844 8.6152 8.6922 8.7030 8.8395 8.8557 9.0503 9.0901 9.2050 9.2154 9.3117 9.3264 9.4750 9.4913 9.6808 9.6825 9.8741 9.8892 10.9825 10.9887 11.3402 11.3460 14.6723 14.6879 14.7683 14.7751 k = 0.5000-0.1850 0.1910 ( 2364 PWs) bands (ev): -3.8759 -3.8748 -3.8184 -3.8174 3.8508 3.8714 4.0085 4.0187 5.3298 5.3557 5.3795 5.4164 6.1835 6.1995 6.2150 6.2709 7.8102 7.8241 8.1006 8.1014 8.3635 8.3843 8.4209 8.4365 8.5744 8.6047 8.6863 8.6974 8.8496 8.8678 9.0389 9.0808 9.2015 9.2072 9.3036 9.3195 9.4656 9.4812 9.6977 9.6999 9.8310 9.8448 10.9510 10.9574 11.3405 11.3474 14.6424 14.6569 14.7529 14.7559 k = 0.5000-0.1945 0.2004 ( 2366 PWs) bands (ev): -3.8623 -3.8611 -3.8075 -3.8065 3.8205 3.8412 3.9925 4.0034 5.3165 5.3463 5.3589 5.3877 6.1883 6.1995 6.2135 6.2695 7.8223 7.8371 8.1034 8.1069 8.3569 8.3736 8.4147 8.4327 8.5662 8.5940 8.6804 8.6921 8.8587 8.8794 9.0279 9.0712 9.1994 9.1996 9.2963 9.3129 9.4562 9.4713 9.7130 9.7161 9.7897 9.8015 10.9157 10.9224 11.3328 11.3410 14.6268 14.6397 14.7434 14.7437 k = 0.5000-0.2039 0.2097 ( 2360 PWs) bands (ev): -3.8484 -3.8472 -3.7964 -3.7953 3.7928 3.8136 3.9784 3.9899 5.2970 5.3327 5.3426 5.3614 6.1904 6.1973 6.2103 6.2660 7.8344 7.8500 8.1042 8.1109 8.3505 8.3626 8.4073 8.4291 8.5600 8.5835 8.6750 8.6873 8.8664 8.8901 9.0173 9.0614 9.1930 9.1988 9.2899 9.3069 9.4469 9.4618 9.7219 9.7299 9.7552 9.7609 10.8769 10.8838 11.3170 11.3266 14.6259 14.6372 14.7406 14.7421 k = 0.5000-0.2133 0.2191 ( 2362 PWs) bands (ev): -3.8343 -3.8331 -3.7851 -3.7841 3.7679 3.7888 3.9662 3.9783 5.2718 5.3097 5.3304 5.3431 6.1894 6.1923 6.2052 6.2603 7.8461 7.8627 8.1028 8.1128 8.3439 8.3515 8.3987 8.4255 8.5559 8.5734 8.6703 8.6829 8.8721 8.8991 9.0069 9.0513 9.1875 9.1998 9.2844 9.3012 9.4377 9.4527 9.7000 9.7155 9.7487 9.7518 10.8345 10.8418 11.2932 11.3042 14.6398 14.6494 14.7477 14.7502 k = 0.5000-0.2228 0.2284 ( 2364 PWs) bands (ev): -3.8201 -3.8189 -3.7737 -3.7727 3.7458 3.7669 3.9562 3.9689 5.2432 5.2795 5.3202 5.3309 6.1846 6.1852 6.1980 6.2521 7.8575 7.8750 8.0995 8.1129 8.3369 8.3402 8.3892 8.4219 8.5537 8.5642 8.6665 8.6792 8.8759 8.9062 8.9967 9.0410 9.1834 9.2024 9.2800 9.2960 9.4286 9.4440 9.6641 9.6779 9.7602 9.7628 10.7891 10.7966 11.2617 11.2742 14.6683 14.6763 14.7656 14.7687 k = 0.5000-0.2322 0.2378 ( 2370 PWs) bands (ev): -3.8058 -3.8046 -3.7623 -3.7612 3.7268 3.7479 3.9484 3.9615 5.2128 5.2467 5.3108 5.3204 6.1740 6.1776 6.1887 6.2414 7.8681 7.8867 8.0943 8.1109 8.3287 8.3294 8.3790 8.4180 8.5535 8.5561 8.6638 8.6760 8.8775 8.9109 8.9865 9.0301 9.1807 9.2064 9.2768 9.2914 9.4198 9.4360 9.6281 9.6411 9.7715 9.7744 10.7408 10.7486 11.2235 11.2375 14.7108 14.7173 14.7946 14.7980 k = 0.5000-0.2416 0.2472 ( 2368 PWs) bands (ev): -3.7915 -3.7903 -3.7508 -3.7497 3.7108 3.7320 3.9428 3.9565 5.1814 5.2131 5.3017 5.3102 6.1603 6.1665 6.1771 6.2281 7.8782 7.8978 8.0874 8.1068 8.3173 8.3212 8.3684 8.4139 8.5495 8.5549 8.6621 8.6734 8.8770 8.9130 8.9760 9.0188 9.1799 9.2119 9.2752 9.2876 9.4112 9.4287 9.5937 9.6063 9.7818 9.7852 10.6903 10.6983 11.1793 11.1947 14.7664 14.7716 14.8348 14.8380 k = 0.5000-0.2511 0.2565 ( 2366 PWs) bands (ev): -3.7772 -3.7760 -3.7393 -3.7383 3.6980 3.7193 3.9397 3.9539 5.1494 5.1792 5.2927 5.3001 6.1435 6.1521 6.1629 6.2122 7.8874 7.9080 8.0790 8.1009 8.3057 8.3124 8.3580 8.4096 8.5445 8.5577 8.6614 8.6713 8.8747 8.9125 8.9651 9.0067 9.1808 9.2183 9.2751 9.2847 9.4031 9.4222 9.5610 9.5737 9.7908 9.7950 10.6381 10.6462 11.1301 11.1470 14.8340 14.8381 14.8860 14.8888 k = 0.5000-0.2605 0.2659 ( 2368 PWs) bands (ev): -3.7631 -3.7618 -3.7279 -3.7268 3.6883 3.7098 3.9389 3.9536 5.1172 5.1452 5.2837 5.2900 6.1234 6.1342 6.1458 6.1934 7.8955 7.9169 8.0693 8.0932 8.2940 8.3028 8.3481 8.4052 8.5412 8.5616 8.6614 8.6695 8.8704 8.9093 8.9536 8.9940 9.1832 9.2252 9.2768 9.2831 9.3953 9.4167 9.5304 9.5435 9.7987 9.8036 10.5846 10.5929 11.0770 11.0952 14.9117 14.9153 14.9488 14.9506 k = 0.5000-0.2699 0.2753 ( 2366 PWs) bands (ev): -3.7490 -3.7478 -3.7165 -3.7155 3.6819 3.7035 3.9407 3.9559 5.0851 5.1114 5.2746 5.2798 6.0998 6.1128 6.1260 6.1719 7.9022 7.9244 8.0587 8.0840 8.2823 8.2924 8.3392 8.4012 8.5395 8.5664 8.6620 8.6680 8.8646 8.9037 8.9415 8.9805 9.1868 9.2319 9.2803 9.2829 9.3879 9.4123 9.5019 9.5159 9.8054 9.8112 10.5305 10.5390 11.0210 11.0405 14.9961 15.0002 15.0247 15.0249 k = 0.5000-0.2794 0.2846 ( 2366 PWs) bands (ev): -3.7352 -3.7340 -3.7053 -3.7043 3.6788 3.7006 3.9451 3.9607 5.0531 5.0780 5.2656 5.2695 6.0729 6.0877 6.1035 6.1476 7.9075 7.9301 8.0474 8.0736 8.2704 8.2814 8.3319 8.3977 8.5394 8.5720 8.6627 8.6664 8.8574 8.8959 8.9288 8.9665 9.1914 9.2378 9.2843 9.2856 9.3808 9.4090 9.4756 9.4910 9.8109 9.8176 10.4762 10.4848 10.9630 10.9837 15.0830 15.0877 15.1149 15.1169 k = 0.5000-0.2888 0.2940 ( 2368 PWs) bands (ev): -3.7216 -3.7204 -3.6943 -3.6933 3.6790 3.7010 3.9520 3.9681 5.0214 5.0451 5.2565 5.2593 6.0424 6.0587 6.0783 6.1205 7.9112 7.9337 8.0357 8.0620 8.2585 8.2697 8.3266 8.3951 8.5405 8.5783 8.6632 8.6647 8.8490 8.8864 8.9155 8.9521 9.1964 9.2423 9.2875 9.2926 9.3740 9.4067 9.4518 9.4695 9.8152 9.8229 10.4224 10.4311 10.9038 10.9257 15.1735 15.1781 15.2192 15.2221 k = 0.5000-0.2982 0.3034 ( 2370 PWs) bands (ev): -3.7082 -3.7072 -3.6834 -3.6825 3.6826 3.7047 3.9615 3.9780 4.9902 5.0128 5.2475 5.2491 6.0084 6.0260 6.0505 6.0907 7.9131 7.9350 8.0238 8.0496 8.2466 8.2574 8.3236 8.3939 8.5426 8.5850 8.6627 8.6631 8.8395 8.8755 8.9020 8.9375 9.2016 9.2453 9.2920 9.3012 9.3674 9.4048 9.4309 9.4522 9.8185 9.8272 10.3695 10.3783 10.8443 10.8673 15.2699 15.2742 15.3330 15.3365 k = 0.5000-0.3077 0.3127 ( 2368 PWs) bands (ev): -3.6952 -3.6942 -3.6728 -3.6720 3.6894 3.7118 3.9736 3.9906 4.9597 4.9812 5.2386 5.2389 5.9708 5.9895 6.0202 6.0582 7.9131 7.9339 8.0120 8.0366 8.2348 8.2448 8.3231 8.3942 8.5457 8.5919 8.6603 8.6623 8.8291 8.8637 8.8885 8.9231 9.2065 9.2468 9.2970 9.3105 9.3613 9.4016 9.4133 9.4414 9.8208 9.8305 10.3179 10.3267 10.7850 10.8091 15.3726 15.3768 15.4540 15.4582 k = 0.5000-0.3171 0.3221 ( 2368 PWs) bands (ev): -3.6826 -3.6817 -3.6625 -3.6618 3.6997 3.7222 3.9884 4.0058 4.9298 4.9505 5.2289 5.2297 5.9299 5.9493 5.9872 6.0231 7.9114 7.9304 8.0004 8.0233 8.2231 8.2321 8.3252 8.3962 8.5494 8.5990 8.6573 8.6605 8.8181 8.8511 8.8752 8.9090 9.2109 9.2471 9.3013 9.3184 9.3568 9.3958 9.3997 9.4386 9.8220 9.8327 10.2681 10.2770 10.7264 10.7515 15.4812 15.4855 15.5812 15.5858 k = 0.5000-0.3265 0.3315 ( 2368 PWs) bands (ev): -3.6704 -3.6696 -3.6525 -3.6518 3.7132 3.7360 4.0057 4.0236 4.9007 4.9206 5.2190 5.2210 5.8857 5.9057 5.9519 5.9855 7.9080 7.9245 7.9892 8.0098 8.2115 8.2194 8.3296 8.4000 8.5535 8.6058 8.6536 8.6579 8.8065 8.8383 8.8625 8.8954 9.2147 9.2465 9.3038 9.3198 9.3586 9.3894 9.3906 9.4426 9.8221 9.8340 10.2205 10.2293 10.6690 10.6951 15.5952 15.5996 15.7134 15.7185 k = 0.5000-0.3360 0.3408 ( 2368 PWs) bands (ev): -3.6587 -3.6580 -3.6428 -3.6422 3.7300 3.7530 4.0256 4.0439 4.8725 4.8917 5.2092 5.2125 5.8384 5.8588 5.9141 5.9456 7.9031 7.9168 7.9783 7.9963 8.2001 8.2070 8.3363 8.4054 8.5579 8.6116 8.6494 8.6549 8.7945 8.8253 8.8506 8.8826 9.2176 9.2450 9.3034 9.3131 9.3670 9.3851 9.3868 9.4511 9.8212 9.8342 10.1753 10.1840 10.6132 10.6401 15.7137 15.7185 15.8498 15.8552 k = 0.5000-0.3454 0.3502 ( 2364 PWs) bands (ev): -3.6475 -3.6469 -3.6335 -3.6330 3.7500 3.7733 4.0480 4.0667 4.8452 4.8639 5.1996 5.2042 5.7882 5.8089 5.8741 5.9035 7.8970 7.9076 7.9679 7.9830 8.1891 8.1949 8.3448 8.4123 8.5622 8.6153 8.6447 8.6526 8.7824 8.8125 8.8398 8.8707 9.2197 9.2429 9.3000 9.3028 9.3725 9.3840 9.3931 9.4628 9.8191 9.8335 10.1331 10.1415 10.5590 10.5867 15.8360 15.8414 15.9894 15.9951 k = 0.5000-0.3548 0.3596 ( 2364 PWs) bands (ev): -3.6368 -3.6363 -3.6245 -3.6242 3.7731 3.7968 4.0727 4.0920 4.8189 4.8370 5.1901 5.1961 5.7354 5.7563 5.8321 5.8594 7.8898 7.8975 7.9577 7.9701 8.1784 8.1832 8.3549 8.4205 8.5663 8.6150 8.6396 8.6527 8.7706 8.8002 8.8301 8.8597 9.2210 9.2402 9.2915 9.2941 9.3724 9.3853 9.4092 9.4768 9.8159 9.8317 10.0940 10.1020 10.5068 10.5352 15.9612 15.9675 16.1314 16.1373 k = 0.5000-0.3643 0.3689 ( 2364 PWs) bands (ev): -3.6267 -3.6264 -3.6160 -3.6158 3.7992 3.8233 4.0998 4.1196 4.7935 4.8112 5.1809 5.1882 5.6803 5.7013 5.7883 5.8135 7.8818 7.8869 7.9477 7.9576 8.1681 8.1721 8.3661 8.4294 8.5696 8.6105 8.6346 8.6556 8.7593 8.7887 8.8216 8.8497 9.2214 9.2372 9.2804 9.2870 9.3713 9.3879 9.4288 9.4930 9.8114 9.8287 10.0585 10.0659 10.4565 10.4856 16.0885 16.0959 16.2747 16.2807 k = 0.5000-0.3737 0.3783 ( 2360 PWs) bands (ev): -3.6172 -3.6171 -3.6079 -3.6078 3.8283 3.8527 4.1291 4.1494 4.7692 4.7865 5.1717 5.1806 5.6234 5.6444 5.7430 5.7661 7.8733 7.8761 7.9381 7.9457 8.1584 8.1616 8.3782 8.4390 8.5719 8.6031 8.6301 8.6601 8.7489 8.7784 8.8143 8.8405 9.2213 9.2340 9.2700 9.2793 9.3703 9.3909 9.4502 9.5109 9.8056 9.8244 10.0269 10.0335 10.4083 10.4380 16.2168 16.2257 16.4178 16.4240 k = 0.5000-0.3831 0.3876 ( 2358 PWs) bands (ev): -3.6084 -3.6083 -3.6004 -3.6002 3.8602 3.8849 4.1603 4.1812 4.7458 4.7627 5.1627 5.1731 5.5652 5.5860 5.6967 5.7176 7.8646 7.8656 7.9287 7.9345 8.1492 8.1519 8.3909 8.4487 8.5725 8.5938 8.6267 8.6646 8.7398 8.7695 8.8081 8.8322 9.2206 9.2306 9.2605 9.2716 9.3691 9.3935 9.4728 9.5301 9.7984 9.8188 9.9994 10.0050 10.3622 10.3924 16.3449 16.3558 16.5593 16.5658 k = 0.5000-0.3926 0.3970 ( 2352 PWs) bands (ev): -3.6005 -3.6002 -3.5933 -3.5929 3.8946 3.9197 4.1934 4.2148 4.7234 4.7400 5.1536 5.1658 5.5060 5.5267 5.6496 5.6684 7.8554 7.8559 7.9198 7.9241 8.1406 8.1428 8.4039 8.4583 8.5712 8.5838 8.6247 8.6682 8.7323 8.7628 8.8029 8.8245 9.2195 9.2272 9.2520 9.2642 9.3677 9.3953 9.4964 9.5506 9.7899 9.8117 9.9761 9.9805 10.3183 10.3488 16.4715 16.4850 16.6969 16.7044 k = 0.5000-0.4020 0.4064 ( 2354 PWs) bands (ev): -3.5933 -3.5928 -3.5868 -3.5862 3.9314 3.9569 4.2279 4.2500 4.7019 4.7182 5.1445 5.1585 5.4465 5.4671 5.6023 5.6189 7.8458 7.8473 7.9112 7.9143 8.1326 8.1345 8.4168 8.4671 8.5682 8.5736 8.6238 8.6699 8.7268 8.7585 8.7987 8.8175 9.2182 9.2237 9.2444 9.2573 9.3661 9.3960 9.5205 9.5718 9.7805 9.8033 9.9568 9.9602 10.2764 10.3072 16.5950 16.6119 16.8277 16.8376 k = 0.5000-0.4114 0.4157 ( 2358 PWs) bands (ev): -3.5868 -3.5861 -3.5806 -3.5799 3.9702 3.9962 4.2635 4.2864 4.6813 4.6971 5.1350 5.1511 5.3875 5.4079 5.5555 5.5698 7.8369 7.8391 7.9032 7.9054 8.1253 8.1269 8.4294 8.4750 8.5633 8.5639 8.6237 8.6695 8.7234 8.7568 8.7952 8.8110 9.2166 9.2205 9.2380 9.2509 9.3640 9.3953 9.5451 9.5936 9.7705 9.7937 9.9413 9.9437 10.2368 10.2675 16.7134 16.7351 16.9469 16.9629 k = 0.5000-0.4209 0.4251 ( 2360 PWs) bands (ev): -3.5810 -3.5803 -3.5750 -3.5742 4.0108 4.0372 4.2997 4.3234 4.6616 4.6768 5.1249 5.1434 5.3297 5.3502 5.5099 5.5218 7.8288 7.8313 7.8959 7.8974 8.1188 8.1201 8.4416 8.4816 8.5536 8.5590 8.6239 8.6672 8.7223 8.7574 8.7926 8.8051 9.2148 9.2174 9.2325 9.2451 9.3617 9.3932 9.5700 9.6156 9.7605 9.7834 9.9291 9.9308 10.1994 10.2299 16.8244 16.8525 17.0469 17.0768 k = 0.5000-0.4303 0.4345 ( 2358 PWs) bands (ev): -3.5759 -3.5751 -3.5699 -3.5691 4.0528 4.0795 4.3356 4.3605 4.6429 4.6571 5.1137 5.1346 5.2747 5.2951 5.4663 5.4758 7.8215 7.8243 7.8893 7.8903 8.1130 8.1142 8.4532 8.4868 8.5446 8.5542 8.6241 8.6635 8.7232 8.7594 8.7908 8.8000 9.2130 9.2146 9.2281 9.2399 9.3591 9.3900 9.5947 9.6374 9.7512 9.7730 9.9197 9.9208 10.1644 10.1943 16.9247 16.9617 17.1162 17.1695 k = 0.5000-0.4397 0.4438 ( 2358 PWs) bands (ev): -3.5715 -3.5708 -3.5654 -3.5646 4.0955 4.1225 4.3703 4.3966 4.6254 4.6380 5.1004 5.1234 5.2243 5.2445 5.4257 5.4327 7.8152 7.8179 7.8835 7.8841 8.1080 8.1090 8.4640 8.4905 8.5366 8.5497 8.6243 8.6589 8.7259 8.7620 8.7897 8.7956 9.2112 9.2121 9.2247 9.2353 9.3566 9.3856 9.6192 9.6585 9.7429 9.7630 9.9124 9.9131 10.1322 10.1610 17.0104 17.0594 17.1550 17.2125 k = 0.5000-0.4492 0.4532 ( 2356 PWs) bands (ev): -3.5678 -3.5672 -3.5614 -3.5607 4.1383 4.1654 4.4018 4.4300 4.6099 4.6201 5.0838 5.1070 5.1827 5.2009 5.3892 5.3937 7.8099 7.8124 7.8785 7.8789 8.1038 8.1046 8.4737 8.4929 8.5298 8.5455 8.6247 8.6541 8.7298 8.7641 8.7892 8.7923 9.2095 9.2099 9.2222 9.2313 9.3544 9.3805 9.6428 9.6784 9.7362 9.7537 9.9069 9.9074 10.1030 10.1302 17.0770 17.1366 17.1838 17.2422 k = 0.5000-0.4586 0.4626 ( 2350 PWs) bands (ev): -3.5647 -3.5642 -3.5581 -3.5576 4.1803 4.2069 4.4276 4.4578 4.5981 4.6048 5.0628 5.0818 5.1543 5.1669 5.3578 5.3602 7.8056 7.8077 7.8744 7.8746 8.1004 8.1011 8.4822 8.4943 8.5245 8.5415 8.6255 8.6492 8.7345 8.7649 8.7893 8.7904 9.2079 9.2082 9.2205 9.2279 9.3527 9.3749 9.6653 9.6961 9.7311 9.7455 9.9028 9.9032 10.0777 10.1022 17.1227 17.1706 17.2325 17.2740 k = 0.5000-0.4680 0.4719 ( 2348 PWs) bands (ev): -3.5623 -3.5620 -3.5555 -3.5551 4.2202 4.2452 4.4443 4.4753 4.5923 4.5952 5.0387 5.0515 5.1374 5.1435 5.3324 5.3332 7.8023 7.8040 7.8711 7.8712 8.0977 8.0982 8.4890 8.4950 8.5211 8.5376 8.6266 8.6446 8.7395 8.7639 8.7896 8.7899 9.2066 9.2068 9.2194 9.2250 9.3518 9.3693 9.6857 9.7106 9.7277 9.7385 9.9000 9.9001 10.0571 10.0777 17.1511 17.1813 17.2829 17.3050 k = 0.5000-0.4775 0.4813 ( 2340 PWs) bands (ev): -3.5606 -3.5604 -3.5537 -3.5534 4.2559 4.2771 4.4512 4.4784 4.5934 4.5939 5.0162 5.0239 5.1270 5.1288 5.3137 5.3138 7.8001 7.8013 7.8689 7.8689 8.0959 8.0963 8.4935 8.4954 8.5202 8.5336 8.6284 8.6405 8.7446 8.7615 8.7901 8.7902 9.2057 9.2058 9.2190 9.2228 9.3520 9.3640 9.7033 9.7202 9.7266 9.7330 9.8980 9.8981 10.0425 10.0576 17.1683 17.1858 17.3193 17.3299 k = 0.5000-0.4869 0.4907 ( 2336 PWs) bands (ev): -3.5596 -3.5594 -3.5525 -3.5523 4.2842 4.2973 4.4535 4.4701 4.5977 4.5977 5.0008 5.0044 5.1206 5.1208 5.3022 5.3024 7.7989 7.7995 7.8675 7.8675 8.0949 8.0950 8.4955 8.4958 8.5219 8.5294 8.6306 8.6367 8.7495 8.7580 8.7905 8.7905 9.2051 9.2052 9.2192 9.2211 9.3533 9.3594 9.7167 9.7236 9.7275 9.7288 9.8970 9.8970 10.0350 10.0431 17.1786 17.1868 17.3410 17.3451 k = 0.5000-0.4963 0.5000 ( 2320 PWs) bands (ev): -3.5592 -3.5592 -3.5520 -3.5520 4.2999 4.2999 4.4594 4.4594 4.5999 4.5999 4.9964 4.9964 5.1184 5.1184 5.2985 5.2985 7.7989 7.7989 7.8673 7.8673 8.0946 8.0946 8.4960 8.4960 8.5254 8.5254 8.6337 8.6337 8.7540 8.7540 8.7907 8.7907 9.2050 9.2050 9.2199 9.2199 9.3558 9.3558 9.7243 9.7243 9.7265 9.7265 9.8967 9.8967 10.0353 10.0353 17.1845 17.1845 17.3492 17.3492 Writing output data file Ni3Se2.save init_run : 0.77s CPU 0.45s WALL ( 1 calls) electrons : 300.10s CPU 202.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 300.09s CPU 202.02s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.21s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.39s WALL ( 408 calls) cegterg : 266.91s CPU 181.49s WALL ( 555 calls) Called by sum_band: Called by *egterg: h_psi : 150.24s CPU 95.66s WALL ( 9181 calls) s_psi : 10.44s CPU 6.08s WALL ( 9181 calls) g_psi : 0.28s CPU 0.16s WALL ( 8218 calls) cdiaghg : 108.70s CPU 79.43s WALL ( 8626 calls) cegterg:over : 10.42s CPU 6.52s WALL ( 8218 calls) cegterg:upda : 6.40s CPU 4.41s WALL ( 8218 calls) cegterg:last : 3.95s CPU 2.45s WALL ( 1398 calls) cdiaghg:chol : 5.70s CPU 4.22s WALL ( 8626 calls) cdiaghg:inve : 3.58s CPU 2.90s WALL ( 8626 calls) cdiaghg:para : 6.04s CPU 4.47s WALL ( 17252 calls) Called by h_psi: h_psi:vloc : 126.28s CPU 80.94s WALL ( 9181 calls) h_psi:vnl : 23.70s CPU 14.55s WALL ( 9181 calls) add_vuspsi : 14.55s CPU 8.62s WALL ( 9181 calls) General routines calbec : 9.11s CPU 5.90s WALL ( 9181 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 120.50s CPU 77.19s WALL ( 946956 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.38s CPU 0.73s WALL ( 816 calls) Parallel routines fft_scatter : 55.14s CPU 35.72s WALL ( 946979 calls) PWSCF : 5m15.28s CPU 3m55.32s WALL This run was terminated on: 4:31:52 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=