Program PWSCF v.5.4.0 starts on 29Mar2017 at 7:17:42 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Te4Pt3.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 30 9 2312 530 87 Max 81 31 10 2314 551 88 Sum 5805 2213 661 166563 38947 6313 bravais-lattice index = 14 lattice parameter (alat) = 22.7131 a.u. unit-cell volume = 1096.4700 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 22.713117 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.944954 celldm(5)= 0.944954 celldm(6)= 0.944954 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.944954 0.327203 0.000000 ) a(3) = ( 0.944954 0.158971 0.285989 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.887978 -1.698837 ) b(2) = ( 0.000000 3.056209 -1.698837 ) b(3) = ( 0.000000 0.000000 3.496636 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Te 6.00 127.60000 Te( 1.00) Pt 10.00 195.08400 Pt( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0108696 -0.0313911 -0.0184656), wk = 0.0034722 k( 3) = ( 0.0217391 -0.0627821 -0.0369312), wk = 0.0034722 k( 4) = ( 0.0326087 -0.0941732 -0.0553969), wk = 0.0034722 k( 5) = ( 0.0434783 -0.1255642 -0.0738625), wk = 0.0034722 k( 6) = ( 0.0543478 -0.1569553 -0.0923281), wk = 0.0034722 k( 7) = ( 0.0652174 -0.1883464 -0.1107937), wk = 0.0034722 k( 8) = ( 0.0760870 -0.2197374 -0.1292594), wk = 0.0034722 k( 9) = ( 0.0869565 -0.2511285 -0.1477250), wk = 0.0034722 k( 10) = ( 0.0978261 -0.2825195 -0.1661906), wk = 0.0034722 k( 11) = ( 0.1086957 -0.3139106 -0.1846562), wk = 0.0034722 k( 12) = ( 0.1195652 -0.3453017 -0.2031218), wk = 0.0034722 k( 13) = ( 0.1304348 -0.3766927 -0.2215875), wk = 0.0034722 k( 14) = ( 0.1413043 -0.4080838 -0.2400531), wk = 0.0034722 k( 15) = ( 0.1521739 -0.4394748 -0.2585187), wk = 0.0034722 k( 16) = ( 0.1630435 -0.4708659 -0.2769843), wk = 0.0034722 k( 17) = ( 0.1739130 -0.5022569 -0.2954500), wk = 0.0034722 k( 18) = ( 0.1847826 -0.5336480 -0.3139156), wk = 0.0034722 k( 19) = ( 0.1956522 -0.5650391 -0.3323812), wk = 0.0034722 k( 20) = ( 0.2065217 -0.5964301 -0.3508468), wk = 0.0034722 k( 21) = ( 0.2173913 -0.6278212 -0.3693124), wk = 0.0034722 k( 22) = ( 0.2282609 -0.6592123 -0.3877781), wk = 0.0034722 k( 23) = ( 0.2391304 -0.6906033 -0.4062437), wk = 0.0034722 k( 24) = ( 0.2500000 -0.7219944 -0.4247093), wk = 0.0034722 k( 25) = ( 0.2608696 -0.7533855 -0.4431749), wk = 0.0034722 k( 26) = ( 0.2717391 -0.7847765 -0.4616406), wk = 0.0034722 k( 27) = ( 0.2826087 -0.8161676 -0.4801062), wk = 0.0034722 k( 28) = ( 0.2934783 -0.8475586 -0.4985718), wk = 0.0034722 k( 29) = ( 0.3043478 -0.8789497 -0.5170374), wk = 0.0034722 k( 30) = ( 0.3152174 -0.9103407 -0.5355030), wk = 0.0034722 k( 31) = ( 0.3260870 -0.9417318 -0.5539687), wk = 0.0034722 k( 32) = ( 0.3369565 -0.9731229 -0.5724343), wk = 0.0034722 k( 33) = ( 0.3478261 -1.0045139 -0.5908999), wk = 0.0034722 k( 34) = ( 0.3586956 -1.0359050 -0.6093655), wk = 0.0034722 k( 35) = ( 0.3695652 -1.0672960 -0.6278312), wk = 0.0034722 k( 36) = ( 0.3804348 -1.0986871 -0.6462968), wk = 0.0034722 k( 37) = ( 0.3913044 -1.1300782 -0.6647624), wk = 0.0034722 k( 38) = ( 0.4021739 -1.1614692 -0.6832280), wk = 0.0034722 k( 39) = ( 0.4130435 -1.1928603 -0.7016936), wk = 0.0034722 k( 40) = ( 0.4239130 -1.2242513 -0.7201593), wk = 0.0034722 k( 41) = ( 0.4347826 -1.2556424 -0.7386249), wk = 0.0034722 k( 42) = ( 0.4456522 -1.2870334 -0.7570905), wk = 0.0034722 k( 43) = ( 0.4565217 -1.3184245 -0.7755561), wk = 0.0034722 k( 44) = ( 0.4673913 -1.3498156 -0.7940217), wk = 0.0034722 k( 45) = ( 0.4782609 -1.3812066 -0.8124874), wk = 0.0034722 k( 46) = ( 0.4891304 -1.4125977 -0.8309530), wk = 0.0034722 k( 47) = ( 0.5000000 -1.4439888 -0.8494186), wk = 0.0034722 k( 48) = ( 0.5000000 -1.4439888 -0.8494186), wk = 0.0034722 k( 49) = ( 0.5000000 -1.4251040 -0.8815222), wk = 0.0034722 k( 50) = ( 0.5000000 -1.4062193 -0.9136257), wk = 0.0034722 k( 51) = ( 0.5000000 -1.3873346 -0.9457292), wk = 0.0034722 k( 52) = ( 0.5000000 -1.3684498 -0.9778328), wk = 0.0034722 k( 53) = ( 0.5000000 -1.3495651 -1.0099363), wk = 0.0034722 k( 54) = ( 0.5000000 -1.3306803 -1.0420399), wk = 0.0034722 k( 55) = ( 0.5000000 -1.3117956 -1.0741435), wk = 0.0034722 k( 56) = ( 0.5000000 -1.2929108 -1.1062470), wk = 0.0034722 k( 57) = ( 0.5000000 -1.2740261 -1.1383505), wk = 0.0034722 k( 58) = ( 0.5000000 -1.2551414 -1.1704541), wk = 0.0034722 k( 59) = ( 0.5000000 -1.2362566 -1.2025576), wk = 0.0034722 k( 60) = ( 0.5000000 -1.2173719 -1.2346612), wk = 0.0034722 k( 61) = ( 0.5000000 -1.1984871 -1.2667647), wk = 0.0034722 k( 62) = ( 0.5000000 -1.1796024 -1.2988682), wk = 0.0034722 k( 63) = ( 0.5000000 -1.1607177 -1.3309718), wk = 0.0034722 k( 64) = ( 0.5000000 -1.1418329 -1.3630754), wk = 0.0034722 k( 65) = ( 0.5000000 -1.1229482 -1.3951789), wk = 0.0034722 k( 66) = ( 0.5000000 -1.1040635 -1.4272825), wk = 0.0034722 k( 67) = ( 0.5000000 -1.0851787 -1.4593860), wk = 0.0034722 k( 68) = ( 0.5000000 -1.0662940 -1.4914895), wk = 0.0034722 k( 69) = ( 0.5000000 -1.0474093 -1.5235931), wk = 0.0034722 k( 70) = ( 0.5000000 -1.0285245 -1.5556966), wk = 0.0034722 k( 71) = ( 0.5000000 -1.0096398 -1.5878002), wk = 0.0034722 k( 72) = ( 0.5000000 -0.9907550 -1.6199037), wk = 0.0034722 k( 73) = ( 0.5000000 -0.9718703 -1.6520073), wk = 0.0034722 k( 74) = ( 0.5000000 -0.9529856 -1.6841108), wk = 0.0034722 k( 75) = ( 0.5000000 -0.9341008 -1.7162144), wk = 0.0034722 k( 76) = ( 0.5000000 -0.9152161 -1.7483179), wk = 0.0034722 k( 77) = ( 0.8269841 -0.8602070 -1.6493566), wk = 0.0034722 k( 78) = ( 0.8206960 -0.8420470 -1.6166866), wk = 0.0034722 k( 79) = ( 0.8144078 -0.8238869 -1.5840167), wk = 0.0034722 k( 80) = ( 0.8081197 -0.8057269 -1.5513467), wk = 0.0034722 k( 81) = ( 0.8018315 -0.7875668 -1.5186768), wk = 0.0034722 k( 82) = ( 0.7955433 -0.7694068 -1.4860069), wk = 0.0034722 k( 83) = ( 0.7892552 -0.7512467 -1.4533369), wk = 0.0034722 k( 84) = ( 0.7829670 -0.7330867 -1.4206670), wk = 0.0034722 k( 85) = ( 0.7766789 -0.7149266 -1.3879970), wk = 0.0034722 k( 86) = ( 0.7703907 -0.6967665 -1.3553270), wk = 0.0034722 k( 87) = ( 0.7641026 -0.6786065 -1.3226571), wk = 0.0034722 k( 88) = ( 0.7578144 -0.6604464 -1.2899872), wk = 0.0034722 k( 89) = ( 0.7515262 -0.6422864 -1.2573172), wk = 0.0034722 k( 90) = ( 0.7452381 -0.6241263 -1.2246473), wk = 0.0034722 k( 91) = ( 0.7389499 -0.6059663 -1.1919773), wk = 0.0034722 k( 92) = ( 0.7326618 -0.5878062 -1.1593074), wk = 0.0034722 k( 93) = ( 0.7263736 -0.5696462 -1.1266374), wk = 0.0034722 k( 94) = ( 0.7200855 -0.5514861 -1.0939675), wk = 0.0034722 k( 95) = ( 0.7137973 -0.5333261 -1.0612976), wk = 0.0034722 k( 96) = ( 0.7075092 -0.5151660 -1.0286276), wk = 0.0034722 k( 97) = ( 0.7012210 -0.4970059 -0.9959576), wk = 0.0034722 k( 98) = ( 0.6949329 -0.4788459 -0.9632877), wk = 0.0034722 k( 99) = ( 0.6886447 -0.4606858 -0.9306177), wk = 0.0034722 k( 100) = ( 0.6823565 -0.4425258 -0.8979478), wk = 0.0034722 k( 101) = ( 0.6760684 -0.4243657 -0.8652779), wk = 0.0034722 k( 102) = ( 0.6697802 -0.4062057 -0.8326079), wk = 0.0034722 k( 103) = ( 0.6634921 -0.3880456 -0.7999380), wk = 0.0034722 k( 104) = ( 0.6572039 -0.3698856 -0.7672680), wk = 0.0034722 k( 105) = ( 0.6509158 -0.3517255 -0.7345980), wk = 0.0034722 k( 106) = ( 0.6446276 -0.3335655 -0.7019281), wk = 0.0034722 k( 107) = ( 0.6383394 -0.3154054 -0.6692582), wk = 0.0034722 k( 108) = ( 0.6320513 -0.2972453 -0.6365882), wk = 0.0034722 k( 109) = ( 0.6257631 -0.2790853 -0.6039183), wk = 0.0034722 k( 110) = ( 0.6194750 -0.2609252 -0.5712483), wk = 0.0034722 k( 111) = ( 0.6131868 -0.2427652 -0.5385784), wk = 0.0034722 k( 112) = ( 0.6068987 -0.2246051 -0.5059084), wk = 0.0034722 k( 113) = ( 0.6006105 -0.2064451 -0.4732385), wk = 0.0034722 k( 114) = ( 0.5943223 -0.1882850 -0.4405686), wk = 0.0034722 k( 115) = ( 0.5880342 -0.1701250 -0.4078986), wk = 0.0034722 k( 116) = ( 0.5817460 -0.1519649 -0.3752286), wk = 0.0034722 k( 117) = ( 0.5754579 -0.1338049 -0.3425587), wk = 0.0034722 k( 118) = ( 0.5691697 -0.1156448 -0.3098888), wk = 0.0034722 k( 119) = ( 0.5628816 -0.0974847 -0.2772188), wk = 0.0034722 k( 120) = ( 0.5565934 -0.0793247 -0.2445489), wk = 0.0034722 k( 121) = ( 0.5503052 -0.0611646 -0.2118789), wk = 0.0034722 k( 122) = ( 0.5440171 -0.0430046 -0.1792089), wk = 0.0034722 k( 123) = ( 0.5377289 -0.0248445 -0.1465390), wk = 0.0034722 k( 124) = ( 0.5314408 -0.0066845 -0.1138691), wk = 0.0034722 k( 125) = ( 0.5251526 0.0114756 -0.0811991), wk = 0.0034722 k( 126) = ( 0.5188645 0.0296356 -0.0485292), wk = 0.0034722 k( 127) = ( 0.5125763 0.0477957 -0.0158592), wk = 0.0034722 k( 128) = ( 0.5062882 0.0659557 0.0168107), wk = 0.0034722 k( 129) = ( 0.5000000 0.0841158 0.0494807), wk = 0.0034722 k( 130) = ( 0.5000000 0.0841158 0.0494807), wk = 0.0034722 k( 131) = ( 0.4642857 0.0781075 0.0459463), wk = 0.0034722 k( 132) = ( 0.4285714 0.0720993 0.0424120), wk = 0.0034722 k( 133) = ( 0.3928571 0.0660910 0.0388777), wk = 0.0034722 k( 134) = ( 0.3571429 0.0600827 0.0353433), wk = 0.0034722 k( 135) = ( 0.3214286 0.0540744 0.0318090), wk = 0.0034722 k( 136) = ( 0.2857143 0.0480662 0.0282747), wk = 0.0034722 k( 137) = ( 0.2500000 0.0420579 0.0247403), wk = 0.0034722 k( 138) = ( 0.2142857 0.0360496 0.0212060), wk = 0.0034722 k( 139) = ( 0.1785714 0.0300414 0.0176717), wk = 0.0034722 k( 140) = ( 0.1428571 0.0240331 0.0141373), wk = 0.0034722 k( 141) = ( 0.1071429 0.0180248 0.0106030), wk = 0.0034722 k( 142) = ( 0.0714286 0.0120165 0.0070687), wk = 0.0034722 k( 143) = ( 0.0357143 0.0060083 0.0035343), wk = 0.0034722 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 146) = ( 0.0062316 -0.0179968 -0.0323763), wk = 0.0034722 k( 147) = ( 0.0124633 -0.0359936 -0.0647525), wk = 0.0034722 k( 148) = ( 0.0186949 -0.0539904 -0.0971288), wk = 0.0034722 k( 149) = ( 0.0249265 -0.0719872 -0.1295050), wk = 0.0034722 k( 150) = ( 0.0311581 -0.0899840 -0.1618813), wk = 0.0034722 k( 151) = ( 0.0373898 -0.1079808 -0.1942575), wk = 0.0034722 k( 152) = ( 0.0436214 -0.1259776 -0.2266338), wk = 0.0034722 k( 153) = ( 0.0498530 -0.1439744 -0.2590101), wk = 0.0034722 k( 154) = ( 0.0560847 -0.1619712 -0.2913863), wk = 0.0034722 k( 155) = ( 0.0623163 -0.1799680 -0.3237626), wk = 0.0034722 k( 156) = ( 0.0685479 -0.1979648 -0.3561388), wk = 0.0034722 k( 157) = ( 0.0747795 -0.2159616 -0.3885151), wk = 0.0034722 k( 158) = ( 0.0810112 -0.2339584 -0.4208914), wk = 0.0034722 k( 159) = ( 0.0872428 -0.2519552 -0.4532676), wk = 0.0034722 k( 160) = ( 0.0934744 -0.2699521 -0.4856439), wk = 0.0034722 k( 161) = ( 0.0997061 -0.2879488 -0.5180201), wk = 0.0034722 k( 162) = ( 0.1059377 -0.3059456 -0.5503964), wk = 0.0034722 k( 163) = ( 0.1121693 -0.3239424 -0.5827726), wk = 0.0034722 k( 164) = ( 0.1184009 -0.3419393 -0.6151489), wk = 0.0034722 k( 165) = ( 0.1246326 -0.3599361 -0.6475252), wk = 0.0034722 k( 166) = ( 0.1308642 -0.3779329 -0.6799014), wk = 0.0034722 k( 167) = ( 0.1370958 -0.3959297 -0.7122777), wk = 0.0034722 k( 168) = ( 0.1433274 -0.4139265 -0.7446539), wk = 0.0034722 k( 169) = ( 0.1495591 -0.4319233 -0.7770302), wk = 0.0034722 k( 170) = ( 0.1557907 -0.4499201 -0.8094064), wk = 0.0034722 k( 171) = ( 0.1620223 -0.4679169 -0.8417827), wk = 0.0034722 k( 172) = ( 0.1682540 -0.4859137 -0.8741590), wk = 0.0034722 k( 173) = ( 0.1744856 -0.5039105 -0.9065352), wk = 0.0034722 k( 174) = ( 0.1807172 -0.5219073 -0.9389115), wk = 0.0034722 k( 175) = ( 0.1869488 -0.5399041 -0.9712877), wk = 0.0034722 k( 176) = ( 0.1931805 -0.5579009 -1.0036640), wk = 0.0034722 k( 177) = ( 0.1994121 -0.5758977 -1.0360402), wk = 0.0034722 k( 178) = ( 0.2056437 -0.5938945 -1.0684165), wk = 0.0034722 k( 179) = ( 0.2118754 -0.6118913 -1.1007928), wk = 0.0034722 k( 180) = ( 0.2181070 -0.6298881 -1.1331690), wk = 0.0034722 k( 181) = ( 0.2243386 -0.6478849 -1.1655453), wk = 0.0034722 k( 182) = ( 0.2305703 -0.6658817 -1.1979215), wk = 0.0034722 k( 183) = ( 0.2368019 -0.6838785 -1.2302978), wk = 0.0034722 k( 184) = ( 0.2430335 -0.7018753 -1.2626741), wk = 0.0034722 k( 185) = ( 0.2492651 -0.7198721 -1.2950503), wk = 0.0034722 k( 186) = ( 0.2554968 -0.7378689 -1.3274266), wk = 0.0034722 k( 187) = ( 0.2617284 -0.7558657 -1.3598028), wk = 0.0034722 k( 188) = ( 0.2679600 -0.7738625 -1.3921791), wk = 0.0034722 k( 189) = ( 0.2741917 -0.7918593 -1.4245553), wk = 0.0034722 k( 190) = ( 0.2804233 -0.8098561 -1.4569316), wk = 0.0034722 k( 191) = ( 0.2866549 -0.8278529 -1.4893079), wk = 0.0034722 k( 192) = ( 0.2928865 -0.8458497 -1.5216841), wk = 0.0034722 k( 193) = ( 0.2991182 -0.8638465 -1.5540603), wk = 0.0034722 k( 194) = ( 0.3053498 -0.8818433 -1.5864366), wk = 0.0034722 k( 195) = ( 0.3115814 -0.8998401 -1.6188129), wk = 0.0034722 k( 196) = ( 0.3178130 -0.9178369 -1.6511891), wk = 0.0034722 k( 197) = ( 0.3240447 -0.9358337 -1.6835654), wk = 0.0034722 k( 198) = ( 0.3302763 -0.9538306 -1.7159417), wk = 0.0034722 k( 199) = ( 0.3365079 -0.9718273 -1.7483179), wk = 0.0034722 k( 200) = ( 0.6634921 -0.8877116 -1.6988372), wk = 0.0034722 k( 201) = ( 0.6572039 -0.8503336 -1.6988372), wk = 0.0034722 k( 202) = ( 0.6509158 -0.8129556 -1.6988372), wk = 0.0034722 k( 203) = ( 0.6446276 -0.7755776 -1.6988372), wk = 0.0034722 k( 204) = ( 0.6383394 -0.7381997 -1.6988372), wk = 0.0034722 k( 205) = ( 0.6320513 -0.7008217 -1.6988372), wk = 0.0034722 k( 206) = ( 0.6257631 -0.6634437 -1.6988372), wk = 0.0034722 k( 207) = ( 0.6194750 -0.6260657 -1.6988372), wk = 0.0034722 k( 208) = ( 0.6131868 -0.5886877 -1.6988372), wk = 0.0034722 k( 209) = ( 0.6068987 -0.5513098 -1.6988372), wk = 0.0034722 k( 210) = ( 0.6006105 -0.5139318 -1.6988372), wk = 0.0034722 k( 211) = ( 0.5943223 -0.4765539 -1.6988372), wk = 0.0034722 k( 212) = ( 0.5880342 -0.4391759 -1.6988372), wk = 0.0034722 k( 213) = ( 0.5817460 -0.4017979 -1.6988372), wk = 0.0034722 k( 214) = ( 0.5754579 -0.3644199 -1.6988372), wk = 0.0034722 k( 215) = ( 0.5691697 -0.3270419 -1.6988372), wk = 0.0034722 k( 216) = ( 0.5628816 -0.2896639 -1.6988372), wk = 0.0034722 k( 217) = ( 0.5565934 -0.2522860 -1.6988372), wk = 0.0034722 k( 218) = ( 0.5503052 -0.2149080 -1.6988372), wk = 0.0034722 k( 219) = ( 0.5440171 -0.1775300 -1.6988372), wk = 0.0034722 k( 220) = ( 0.5377289 -0.1401521 -1.6988372), wk = 0.0034722 k( 221) = ( 0.5314408 -0.1027741 -1.6988372), wk = 0.0034722 k( 222) = ( 0.5251526 -0.0653961 -1.6988372), wk = 0.0034722 k( 223) = ( 0.5188645 -0.0280181 -1.6988372), wk = 0.0034722 k( 224) = ( 0.5125763 0.0093599 -1.6988372), wk = 0.0034722 k( 225) = ( 0.5062882 0.0467378 -1.6988372), wk = 0.0034722 k( 226) = ( 0.5000000 0.0841158 -1.6988372), wk = 0.0034722 k( 227) = ( 0.5000000 0.0841158 -1.6988372), wk = 0.0034722 k( 228) = ( 0.5326984 0.0896167 -1.6889411), wk = 0.0034722 k( 229) = ( 0.5653968 0.0951176 -1.6790450), wk = 0.0034722 k( 230) = ( 0.5980952 0.1006185 -1.6691489), wk = 0.0034722 k( 231) = ( 0.6307936 0.1061194 -1.6592527), wk = 0.0034722 k( 232) = ( 0.6634921 0.1116203 -1.6493566), wk = 0.0034722 k( 233) = ( 0.6634921 0.1116203 -1.6493566), wk = 0.0034722 k( 234) = ( 0.6598589 0.1110091 -1.6116047), wk = 0.0034722 k( 235) = ( 0.6562258 0.1103979 -1.5738527), wk = 0.0034722 k( 236) = ( 0.6525926 0.1097867 -1.5361008), wk = 0.0034722 k( 237) = ( 0.6489594 0.1091755 -1.4983488), wk = 0.0034722 k( 238) = ( 0.6453263 0.1085643 -1.4605969), wk = 0.0034722 k( 239) = ( 0.6416931 0.1079531 -1.4228449), wk = 0.0034722 k( 240) = ( 0.6380600 0.1073418 -1.3850930), wk = 0.0034722 k( 241) = ( 0.6344268 0.1067306 -1.3473411), wk = 0.0034722 k( 242) = ( 0.6307936 0.1061194 -1.3095891), wk = 0.0034722 k( 243) = ( 0.6271605 0.1055082 -1.2718372), wk = 0.0034722 k( 244) = ( 0.6235273 0.1048970 -1.2340853), wk = 0.0034722 k( 245) = ( 0.6198942 0.1042858 -1.1963333), wk = 0.0034722 k( 246) = ( 0.6162610 0.1036746 -1.1585814), wk = 0.0034722 k( 247) = ( 0.6126279 0.1030634 -1.1208294), wk = 0.0034722 k( 248) = ( 0.6089947 0.1024522 -1.0830775), wk = 0.0034722 k( 249) = ( 0.6053616 0.1018409 -1.0453256), wk = 0.0034722 k( 250) = ( 0.6017284 0.1012297 -1.0075736), wk = 0.0034722 k( 251) = ( 0.5980952 0.1006185 -0.9698217), wk = 0.0034722 k( 252) = ( 0.5944621 0.1000073 -0.9320697), wk = 0.0034722 k( 253) = ( 0.5908289 0.0993961 -0.8943178), wk = 0.0034722 k( 254) = ( 0.5871958 0.0987849 -0.8565659), wk = 0.0034722 k( 255) = ( 0.5835626 0.0981737 -0.8188139), wk = 0.0034722 k( 256) = ( 0.5799294 0.0975625 -0.7810620), wk = 0.0034722 k( 257) = ( 0.5762963 0.0969512 -0.7433100), wk = 0.0034722 k( 258) = ( 0.5726631 0.0963400 -0.7055581), wk = 0.0034722 k( 259) = ( 0.5690300 0.0957288 -0.6678062), wk = 0.0034722 k( 260) = ( 0.5653968 0.0951176 -0.6300542), wk = 0.0034722 k( 261) = ( 0.5617637 0.0945064 -0.5923023), wk = 0.0034722 k( 262) = ( 0.5581305 0.0938952 -0.5545503), wk = 0.0034722 k( 263) = ( 0.5544974 0.0932840 -0.5167984), wk = 0.0034722 k( 264) = ( 0.5508642 0.0926728 -0.4790465), wk = 0.0034722 k( 265) = ( 0.5472310 0.0920616 -0.4412945), wk = 0.0034722 k( 266) = ( 0.5435979 0.0914503 -0.4035426), wk = 0.0034722 k( 267) = ( 0.5399647 0.0908391 -0.3657907), wk = 0.0034722 k( 268) = ( 0.5363316 0.0902279 -0.3280387), wk = 0.0034722 k( 269) = ( 0.5326984 0.0896167 -0.2902868), wk = 0.0034722 k( 270) = ( 0.5290653 0.0890055 -0.2525349), wk = 0.0034722 k( 271) = ( 0.5254321 0.0883943 -0.2147829), wk = 0.0034722 k( 272) = ( 0.5217989 0.0877831 -0.1770309), wk = 0.0034722 k( 273) = ( 0.5181658 0.0871719 -0.1392790), wk = 0.0034722 k( 274) = ( 0.5145326 0.0865606 -0.1015271), wk = 0.0034722 k( 275) = ( 0.5108995 0.0859494 -0.0637751), wk = 0.0034722 k( 276) = ( 0.5072663 0.0853382 -0.0260232), wk = 0.0034722 k( 277) = ( 0.5036332 0.0847270 0.0117287), wk = 0.0034722 k( 278) = ( 0.5000000 0.0841158 0.0494807), wk = 0.0034722 k( 279) = ( 0.5000000 -1.4439888 -0.8494186), wk = 0.0034722 k( 280) = ( 0.5363316 -1.4346426 -0.8439208), wk = 0.0034722 k( 281) = ( 0.5726631 -1.4252964 -0.8384229), wk = 0.0034722 k( 282) = ( 0.6089947 -1.4159502 -0.8329251), wk = 0.0034722 k( 283) = ( 0.6453263 -1.4066040 -0.8274272), wk = 0.0034722 k( 284) = ( 0.6816579 -1.3972578 -0.8219294), wk = 0.0034722 k( 285) = ( 0.7179894 -1.3879116 -0.8164315), wk = 0.0034722 k( 286) = ( 0.7543210 -1.3785654 -0.8109337), wk = 0.0034722 k( 287) = ( 0.7906526 -1.3692192 -0.8054358), wk = 0.0034722 k( 288) = ( 0.8269841 -1.3598730 -0.7999380), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0108696 0.0000000 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0652174 0.0000000 -0.0000000), wk = 0.0034722 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0034722 k( 10) = ( 0.0978261 -0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1195652 -0.0000000 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1304348 0.0000000 -0.0000000), wk = 0.0034722 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0034722 k( 15) = ( 0.1521739 -0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0034722 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0034722 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0034722 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0034722 k( 21) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0034722 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0034722 k( 23) = ( 0.2391304 0.0000000 -0.0000000), wk = 0.0034722 k( 24) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034722 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0034722 k( 28) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0034722 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0034722 k( 30) = ( 0.3152174 0.0000000 -0.0000000), wk = 0.0034722 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0034722 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0034722 k( 33) = ( 0.3478261 0.0000000 -0.0000000), wk = 0.0034722 k( 34) = ( 0.3586956 0.0000000 -0.0000000), wk = 0.0034722 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0034722 k( 36) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0034722 k( 37) = ( 0.3913044 0.0000000 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4021739 0.0000000 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0034722 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0034722 k( 42) = ( 0.4456522 0.0000000 -0.0000000), wk = 0.0034722 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0034722 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4782609 0.0000000 -0.0000000), wk = 0.0034722 k( 46) = ( 0.4891304 0.0000000 -0.0000000), wk = 0.0034722 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 49) = ( 0.5000000 0.0061791 -0.0061791), wk = 0.0034722 k( 50) = ( 0.5000000 0.0123583 -0.0123583), wk = 0.0034722 k( 51) = ( 0.5000000 0.0185374 -0.0185374), wk = 0.0034722 k( 52) = ( 0.5000000 0.0247166 -0.0247166), wk = 0.0034722 k( 53) = ( 0.5000000 0.0308957 -0.0308957), wk = 0.0034722 k( 54) = ( 0.5000000 0.0370748 -0.0370748), wk = 0.0034722 k( 55) = ( 0.5000000 0.0432540 -0.0432540), wk = 0.0034722 k( 56) = ( 0.5000000 0.0494331 -0.0494331), wk = 0.0034722 k( 57) = ( 0.5000000 0.0556122 -0.0556122), wk = 0.0034722 k( 58) = ( 0.5000000 0.0617914 -0.0617914), wk = 0.0034722 k( 59) = ( 0.5000000 0.0679705 -0.0679705), wk = 0.0034722 k( 60) = ( 0.5000000 0.0741497 -0.0741497), wk = 0.0034722 k( 61) = ( 0.5000000 0.0803288 -0.0803288), wk = 0.0034722 k( 62) = ( 0.5000000 0.0865079 -0.0865079), wk = 0.0034722 k( 63) = ( 0.5000000 0.0926871 -0.0926871), wk = 0.0034722 k( 64) = ( 0.5000000 0.0988662 -0.0988662), wk = 0.0034722 k( 65) = ( 0.5000000 0.1050453 -0.1050454), wk = 0.0034722 k( 66) = ( 0.5000000 0.1112245 -0.1112245), wk = 0.0034722 k( 67) = ( 0.5000000 0.1174036 -0.1174036), wk = 0.0034722 k( 68) = ( 0.5000000 0.1235828 -0.1235828), wk = 0.0034722 k( 69) = ( 0.5000000 0.1297619 -0.1297619), wk = 0.0034722 k( 70) = ( 0.5000000 0.1359410 -0.1359410), wk = 0.0034722 k( 71) = ( 0.5000000 0.1421202 -0.1421202), wk = 0.0034722 k( 72) = ( 0.5000000 0.1482993 -0.1482993), wk = 0.0034722 k( 73) = ( 0.5000000 0.1544784 -0.1544784), wk = 0.0034722 k( 74) = ( 0.5000000 0.1606576 -0.1606576), wk = 0.0034722 k( 75) = ( 0.5000000 0.1668367 -0.1668367), wk = 0.0034722 k( 76) = ( 0.5000000 0.1730159 -0.1730159), wk = 0.0034722 k( 77) = ( 0.8269841 0.5000000 0.1730159), wk = 0.0034722 k( 78) = ( 0.8206960 0.5000000 0.1793040), wk = 0.0034722 k( 79) = ( 0.8144078 0.5000000 0.1855922), wk = 0.0034722 k( 80) = ( 0.8081197 0.5000000 0.1918803), wk = 0.0034722 k( 81) = ( 0.8018315 0.5000000 0.1981685), wk = 0.0034722 k( 82) = ( 0.7955433 0.5000000 0.2044566), wk = 0.0034722 k( 83) = ( 0.7892552 0.5000000 0.2107448), wk = 0.0034722 k( 84) = ( 0.7829670 0.5000000 0.2170330), wk = 0.0034722 k( 85) = ( 0.7766789 0.5000000 0.2233211), wk = 0.0034722 k( 86) = ( 0.7703907 0.5000000 0.2296093), wk = 0.0034722 k( 87) = ( 0.7641026 0.5000000 0.2358974), wk = 0.0034722 k( 88) = ( 0.7578144 0.5000000 0.2421856), wk = 0.0034722 k( 89) = ( 0.7515262 0.5000000 0.2484737), wk = 0.0034722 k( 90) = ( 0.7452381 0.5000000 0.2547619), wk = 0.0034722 k( 91) = ( 0.7389499 0.5000000 0.2610501), wk = 0.0034722 k( 92) = ( 0.7326618 0.5000000 0.2673382), wk = 0.0034722 k( 93) = ( 0.7263736 0.5000000 0.2736264), wk = 0.0034722 k( 94) = ( 0.7200855 0.5000000 0.2799145), wk = 0.0034722 k( 95) = ( 0.7137973 0.5000000 0.2862027), wk = 0.0034722 k( 96) = ( 0.7075092 0.5000000 0.2924908), wk = 0.0034722 k( 97) = ( 0.7012210 0.5000000 0.2987790), wk = 0.0034722 k( 98) = ( 0.6949329 0.5000000 0.3050671), wk = 0.0034722 k( 99) = ( 0.6886447 0.5000000 0.3113553), wk = 0.0034722 k( 100) = ( 0.6823565 0.5000000 0.3176435), wk = 0.0034722 k( 101) = ( 0.6760684 0.5000000 0.3239316), wk = 0.0034722 k( 102) = ( 0.6697802 0.5000000 0.3302198), wk = 0.0034722 k( 103) = ( 0.6634921 0.5000000 0.3365079), wk = 0.0034722 k( 104) = ( 0.6572039 0.5000000 0.3427961), wk = 0.0034722 k( 105) = ( 0.6509158 0.5000000 0.3490842), wk = 0.0034722 k( 106) = ( 0.6446276 0.5000000 0.3553724), wk = 0.0034722 k( 107) = ( 0.6383394 0.5000000 0.3616606), wk = 0.0034722 k( 108) = ( 0.6320513 0.5000000 0.3679487), wk = 0.0034722 k( 109) = ( 0.6257631 0.5000000 0.3742369), wk = 0.0034722 k( 110) = ( 0.6194750 0.5000000 0.3805250), wk = 0.0034722 k( 111) = ( 0.6131868 0.5000000 0.3868132), wk = 0.0034722 k( 112) = ( 0.6068987 0.5000000 0.3931013), wk = 0.0034722 k( 113) = ( 0.6006105 0.5000000 0.3993895), wk = 0.0034722 k( 114) = ( 0.5943223 0.5000000 0.4056776), wk = 0.0034722 k( 115) = ( 0.5880342 0.5000000 0.4119658), wk = 0.0034722 k( 116) = ( 0.5817460 0.5000000 0.4182540), wk = 0.0034722 k( 117) = ( 0.5754579 0.5000000 0.4245421), wk = 0.0034722 k( 118) = ( 0.5691697 0.5000000 0.4308303), wk = 0.0034722 k( 119) = ( 0.5628816 0.5000000 0.4371184), wk = 0.0034722 k( 120) = ( 0.5565934 0.5000000 0.4434066), wk = 0.0034722 k( 121) = ( 0.5503052 0.5000000 0.4496947), wk = 0.0034722 k( 122) = ( 0.5440171 0.5000000 0.4559829), wk = 0.0034722 k( 123) = ( 0.5377289 0.5000000 0.4622711), wk = 0.0034722 k( 124) = ( 0.5314408 0.5000000 0.4685592), wk = 0.0034722 k( 125) = ( 0.5251526 0.5000000 0.4748474), wk = 0.0034722 k( 126) = ( 0.5188645 0.5000000 0.4811355), wk = 0.0034722 k( 127) = ( 0.5125763 0.5000000 0.4874237), wk = 0.0034722 k( 128) = ( 0.5062882 0.5000000 0.4937118), wk = 0.0034722 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 131) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0034722 k( 132) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0034722 k( 133) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0034722 k( 134) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0034722 k( 135) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0034722 k( 136) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0034722 k( 137) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034722 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0034722 k( 139) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0034722 k( 140) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0034722 k( 141) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0034722 k( 142) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0034722 k( 143) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0034722 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 146) = ( 0.0062316 -0.0000000 -0.0062316), wk = 0.0034722 k( 147) = ( 0.0124633 -0.0000000 -0.0124633), wk = 0.0034722 k( 148) = ( 0.0186949 -0.0000000 -0.0186949), wk = 0.0034722 k( 149) = ( 0.0249265 0.0000000 -0.0249265), wk = 0.0034722 k( 150) = ( 0.0311581 -0.0000000 -0.0311581), wk = 0.0034722 k( 151) = ( 0.0373898 -0.0000000 -0.0373898), wk = 0.0034722 k( 152) = ( 0.0436214 -0.0000000 -0.0436214), wk = 0.0034722 k( 153) = ( 0.0498530 -0.0000000 -0.0498530), wk = 0.0034722 k( 154) = ( 0.0560847 -0.0000000 -0.0560847), wk = 0.0034722 k( 155) = ( 0.0623163 -0.0000000 -0.0623163), wk = 0.0034722 k( 156) = ( 0.0685479 -0.0000000 -0.0685479), wk = 0.0034722 k( 157) = ( 0.0747795 -0.0000000 -0.0747795), wk = 0.0034722 k( 158) = ( 0.0810112 0.0000000 -0.0810112), wk = 0.0034722 k( 159) = ( 0.0872428 -0.0000000 -0.0872428), wk = 0.0034722 k( 160) = ( 0.0934744 0.0000000 -0.0934744), wk = 0.0034722 k( 161) = ( 0.0997061 -0.0000000 -0.0997060), wk = 0.0034722 k( 162) = ( 0.1059377 0.0000000 -0.1059377), wk = 0.0034722 k( 163) = ( 0.1121693 0.0000000 -0.1121693), wk = 0.0034722 k( 164) = ( 0.1184009 -0.0000000 -0.1184009), wk = 0.0034722 k( 165) = ( 0.1246326 0.0000000 -0.1246326), wk = 0.0034722 k( 166) = ( 0.1308642 0.0000000 -0.1308642), wk = 0.0034722 k( 167) = ( 0.1370958 0.0000000 -0.1370958), wk = 0.0034722 k( 168) = ( 0.1433274 0.0000000 -0.1433274), wk = 0.0034722 k( 169) = ( 0.1495591 -0.0000000 -0.1495591), wk = 0.0034722 k( 170) = ( 0.1557907 0.0000000 -0.1557907), wk = 0.0034722 k( 171) = ( 0.1620223 0.0000000 -0.1620223), wk = 0.0034722 k( 172) = ( 0.1682540 0.0000000 -0.1682540), wk = 0.0034722 k( 173) = ( 0.1744856 -0.0000000 -0.1744856), wk = 0.0034722 k( 174) = ( 0.1807172 0.0000000 -0.1807172), wk = 0.0034722 k( 175) = ( 0.1869488 0.0000000 -0.1869488), wk = 0.0034722 k( 176) = ( 0.1931805 0.0000000 -0.1931805), wk = 0.0034722 k( 177) = ( 0.1994121 -0.0000000 -0.1994121), wk = 0.0034722 k( 178) = ( 0.2056437 -0.0000000 -0.2056437), wk = 0.0034722 k( 179) = ( 0.2118754 0.0000000 -0.2118754), wk = 0.0034722 k( 180) = ( 0.2181070 0.0000000 -0.2181070), wk = 0.0034722 k( 181) = ( 0.2243386 0.0000000 -0.2243386), wk = 0.0034722 k( 182) = ( 0.2305703 -0.0000000 -0.2305703), wk = 0.0034722 k( 183) = ( 0.2368019 -0.0000000 -0.2368019), wk = 0.0034722 k( 184) = ( 0.2430335 0.0000000 -0.2430335), wk = 0.0034722 k( 185) = ( 0.2492651 0.0000000 -0.2492651), wk = 0.0034722 k( 186) = ( 0.2554968 0.0000000 -0.2554968), wk = 0.0034722 k( 187) = ( 0.2617284 0.0000000 -0.2617284), wk = 0.0034722 k( 188) = ( 0.2679600 0.0000000 -0.2679600), wk = 0.0034722 k( 189) = ( 0.2741917 0.0000000 -0.2741917), wk = 0.0034722 k( 190) = ( 0.2804233 0.0000000 -0.2804233), wk = 0.0034722 k( 191) = ( 0.2866549 -0.0000000 -0.2866549), wk = 0.0034722 k( 192) = ( 0.2928865 -0.0000000 -0.2928865), wk = 0.0034722 k( 193) = ( 0.2991182 -0.0000000 -0.2991182), wk = 0.0034722 k( 194) = ( 0.3053498 0.0000000 -0.3053498), wk = 0.0034722 k( 195) = ( 0.3115814 0.0000000 -0.3115814), wk = 0.0034722 k( 196) = ( 0.3178130 0.0000000 -0.3178130), wk = 0.0034722 k( 197) = ( 0.3240447 0.0000000 -0.3240447), wk = 0.0034722 k( 198) = ( 0.3302763 0.0000000 -0.3302763), wk = 0.0034722 k( 199) = ( 0.3365079 -0.0000000 -0.3365079), wk = 0.0034722 k( 200) = ( 0.6634921 0.3365079 -0.0000000), wk = 0.0034722 k( 201) = ( 0.6572039 0.3427961 -0.0000000), wk = 0.0034722 k( 202) = ( 0.6509158 0.3490842 -0.0000000), wk = 0.0034722 k( 203) = ( 0.6446276 0.3553724 -0.0000000), wk = 0.0034722 k( 204) = ( 0.6383394 0.3616606 -0.0000000), wk = 0.0034722 k( 205) = ( 0.6320513 0.3679487 -0.0000000), wk = 0.0034722 k( 206) = ( 0.6257631 0.3742369 -0.0000000), wk = 0.0034722 k( 207) = ( 0.6194750 0.3805250 -0.0000000), wk = 0.0034722 k( 208) = ( 0.6131868 0.3868132 -0.0000000), wk = 0.0034722 k( 209) = ( 0.6068987 0.3931013 -0.0000000), wk = 0.0034722 k( 210) = ( 0.6006105 0.3993895 -0.0000000), wk = 0.0034722 k( 211) = ( 0.5943223 0.4056776 -0.0000000), wk = 0.0034722 k( 212) = ( 0.5880342 0.4119658 -0.0000000), wk = 0.0034722 k( 213) = ( 0.5817460 0.4182540 -0.0000000), wk = 0.0034722 k( 214) = ( 0.5754579 0.4245421 -0.0000000), wk = 0.0034722 k( 215) = ( 0.5691697 0.4308303 -0.0000000), wk = 0.0034722 k( 216) = ( 0.5628816 0.4371184 -0.0000000), wk = 0.0034722 k( 217) = ( 0.5565934 0.4434066 -0.0000000), wk = 0.0034722 k( 218) = ( 0.5503052 0.4496947 -0.0000000), wk = 0.0034722 k( 219) = ( 0.5440171 0.4559829 -0.0000000), wk = 0.0034722 k( 220) = ( 0.5377289 0.4622711 -0.0000000), wk = 0.0034722 k( 221) = ( 0.5314408 0.4685592 -0.0000000), wk = 0.0034722 k( 222) = ( 0.5251526 0.4748474 -0.0000000), wk = 0.0034722 k( 223) = ( 0.5188645 0.4811355 -0.0000000), wk = 0.0034722 k( 224) = ( 0.5125763 0.4874237 -0.0000000), wk = 0.0034722 k( 225) = ( 0.5062882 0.4937118 -0.0000000), wk = 0.0034722 k( 226) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 227) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 228) = ( 0.5326984 0.5326984 0.0346032), wk = 0.0034722 k( 229) = ( 0.5653968 0.5653968 0.0692063), wk = 0.0034722 k( 230) = ( 0.5980952 0.5980952 0.1038095), wk = 0.0034722 k( 231) = ( 0.6307936 0.6307936 0.1384127), wk = 0.0034722 k( 232) = ( 0.6634921 0.6634921 0.1730159), wk = 0.0034722 k( 233) = ( 0.6634921 0.6634921 0.1730159), wk = 0.0034722 k( 234) = ( 0.6598589 0.6598589 0.1802822), wk = 0.0034722 k( 235) = ( 0.6562258 0.6562258 0.1875485), wk = 0.0034722 k( 236) = ( 0.6525926 0.6525926 0.1948148), wk = 0.0034722 k( 237) = ( 0.6489594 0.6489594 0.2020811), wk = 0.0034722 k( 238) = ( 0.6453263 0.6453263 0.2093474), wk = 0.0034722 k( 239) = ( 0.6416931 0.6416931 0.2166137), wk = 0.0034722 k( 240) = ( 0.6380600 0.6380600 0.2238801), wk = 0.0034722 k( 241) = ( 0.6344268 0.6344268 0.2311464), wk = 0.0034722 k( 242) = ( 0.6307936 0.6307936 0.2384127), wk = 0.0034722 k( 243) = ( 0.6271605 0.6271605 0.2456790), wk = 0.0034722 k( 244) = ( 0.6235273 0.6235273 0.2529453), wk = 0.0034722 k( 245) = ( 0.6198942 0.6198942 0.2602116), wk = 0.0034722 k( 246) = ( 0.6162610 0.6162610 0.2674779), wk = 0.0034722 k( 247) = ( 0.6126279 0.6126279 0.2747443), wk = 0.0034722 k( 248) = ( 0.6089947 0.6089947 0.2820106), wk = 0.0034722 k( 249) = ( 0.6053616 0.6053615 0.2892769), wk = 0.0034722 k( 250) = ( 0.6017284 0.6017284 0.2965432), wk = 0.0034722 k( 251) = ( 0.5980952 0.5980952 0.3038095), wk = 0.0034722 k( 252) = ( 0.5944621 0.5944621 0.3110758), wk = 0.0034722 k( 253) = ( 0.5908289 0.5908289 0.3183421), wk = 0.0034722 k( 254) = ( 0.5871958 0.5871958 0.3256085), wk = 0.0034722 k( 255) = ( 0.5835626 0.5835626 0.3328748), wk = 0.0034722 k( 256) = ( 0.5799294 0.5799294 0.3401411), wk = 0.0034722 k( 257) = ( 0.5762963 0.5762963 0.3474074), wk = 0.0034722 k( 258) = ( 0.5726631 0.5726631 0.3546737), wk = 0.0034722 k( 259) = ( 0.5690300 0.5690300 0.3619400), wk = 0.0034722 k( 260) = ( 0.5653968 0.5653968 0.3692063), wk = 0.0034722 k( 261) = ( 0.5617637 0.5617637 0.3764727), wk = 0.0034722 k( 262) = ( 0.5581305 0.5581305 0.3837390), wk = 0.0034722 k( 263) = ( 0.5544974 0.5544974 0.3910053), wk = 0.0034722 k( 264) = ( 0.5508642 0.5508642 0.3982716), wk = 0.0034722 k( 265) = ( 0.5472310 0.5472310 0.4055379), wk = 0.0034722 k( 266) = ( 0.5435979 0.5435979 0.4128042), wk = 0.0034722 k( 267) = ( 0.5399647 0.5399647 0.4200705), wk = 0.0034722 k( 268) = ( 0.5363316 0.5363316 0.4273369), wk = 0.0034722 k( 269) = ( 0.5326984 0.5326984 0.4346032), wk = 0.0034722 k( 270) = ( 0.5290653 0.5290653 0.4418695), wk = 0.0034722 k( 271) = ( 0.5254321 0.5254321 0.4491358), wk = 0.0034722 k( 272) = ( 0.5217989 0.5217989 0.4564021), wk = 0.0034722 k( 273) = ( 0.5181658 0.5181658 0.4636684), wk = 0.0034722 k( 274) = ( 0.5145326 0.5145326 0.4709347), wk = 0.0034722 k( 275) = ( 0.5108995 0.5108995 0.4782011), wk = 0.0034722 k( 276) = ( 0.5072663 0.5072663 0.4854674), wk = 0.0034722 k( 277) = ( 0.5036332 0.5036332 0.4927337), wk = 0.0034722 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 279) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 280) = ( 0.5363316 0.0373898 0.0373898), wk = 0.0034722 k( 281) = ( 0.5726631 0.0747795 0.0747795), wk = 0.0034722 k( 282) = ( 0.6089947 0.1121693 0.1121693), wk = 0.0034722 k( 283) = ( 0.6453263 0.1495591 0.1495591), wk = 0.0034722 k( 284) = ( 0.6816579 0.1869488 0.1869488), wk = 0.0034722 k( 285) = ( 0.7179894 0.2243386 0.2243386), wk = 0.0034722 k( 286) = ( 0.7543210 0.2617284 0.2617284), wk = 0.0034722 k( 287) = ( 0.7906526 0.2991182 0.2991182), wk = 0.0034722 k( 288) = ( 0.8269841 0.3365079 0.3365079), wk = 0.0034722 Dense grid: 166563 G-vectors FFT dimensions: ( 160, 160, 160) Smooth grid: 38947 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 138, 64) NL pseudopotentials 0.25 Mb ( 69, 238) Each V/rho on FFT grid 1.17 Mb ( 76800) Each G-vector array 0.02 Mb ( 2313) G-vector shells 0.02 Mb ( 2106) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 138, 256) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.46 Mb ( 238, 2, 64) The potential is recalculated from file : ./Te4Pt3.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.9 secs Computing kpt #: 2 total cpu time spent up to now is 9.5 secs Computing kpt #: 3 total cpu time spent up to now is 12.1 secs Computing kpt #: 4 total cpu time spent up to now is 14.8 secs Computing kpt #: 5 total cpu time spent up to now is 17.3 secs Computing kpt #: 6 total cpu time spent up to now is 19.9 secs Computing kpt #: 7 total cpu time spent up to now is 22.5 secs Computing kpt #: 8 total cpu time spent up to now is 25.1 secs Computing kpt #: 9 total cpu time spent up to now is 27.7 secs Computing kpt #: 10 total cpu time spent up to now is 30.3 secs Computing kpt #: 11 total cpu time spent up to now is 32.9 secs Computing kpt #: 12 total cpu time spent up to now is 35.8 secs Computing kpt #: 13 total cpu time spent up to now is 38.4 secs Computing kpt #: 14 total cpu time spent up to now is 41.1 secs Computing kpt #: 15 total cpu time spent up to now is 44.0 secs Computing kpt #: 16 total cpu time spent up to now is 46.9 secs Computing kpt #: 17 total cpu time spent up to now is 49.9 secs Computing kpt #: 18 total cpu time spent up to now is 52.9 secs Computing kpt #: 19 total cpu time spent up to now is 55.8 secs Computing kpt #: 20 total cpu time spent up to now is 58.9 secs Computing kpt #: 21 total cpu time spent up to now is 61.8 secs Computing kpt #: 22 total cpu time spent up to now is 64.8 secs Computing kpt #: 23 total cpu time spent up to now is 67.8 secs Computing kpt #: 24 total cpu time spent up to now is 70.8 secs Computing kpt #: 25 total cpu time spent up to now is 73.7 secs Computing kpt #: 26 total cpu time spent up to now is 76.7 secs Computing kpt #: 27 total cpu time spent up to now is 79.6 secs Computing kpt #: 28 total cpu time spent up to now is 82.5 secs Computing kpt #: 29 total cpu time spent up to now is 85.5 secs Computing kpt #: 30 total cpu time spent up to now is 88.4 secs Computing kpt #: 31 total cpu time spent up to now is 91.3 secs Computing kpt #: 32 total cpu time spent up to now is 94.0 secs Computing kpt #: 33 total cpu time spent up to now is 96.5 secs Computing kpt #: 34 total cpu time spent up to now is 99.1 secs Computing kpt #: 35 total cpu time spent up to now is 101.6 secs Computing kpt #: 36 total cpu time spent up to now is 104.5 secs Computing kpt #: 37 total cpu time spent up to now is 107.4 secs Computing kpt #: 38 total cpu time spent up to now is 110.3 secs Computing kpt #: 39 total cpu time spent up to now is 113.3 secs Computing kpt #: 40 total cpu time spent up to now is 116.3 secs Computing kpt #: 41 total cpu time spent up to now is 119.2 secs Computing kpt #: 42 total cpu time spent up to now is 122.2 secs Computing kpt #: 43 total cpu time spent up to now is 125.4 secs Computing kpt #: 44 total cpu time spent up to now is 128.5 secs Computing kpt #: 45 total cpu time spent up to now is 131.5 secs Computing kpt #: 46 total cpu time spent up to now is 134.5 secs Computing kpt #: 47 total cpu time spent up to now is 137.4 secs Computing kpt #: 48 total cpu time spent up to now is 140.4 secs Computing kpt #: 49 total cpu time spent up to now is 143.4 secs Computing kpt #: 50 total cpu time spent up to now is 146.4 secs Computing kpt #: 51 total cpu time spent up to now is 149.4 secs Computing kpt #: 52 total cpu time spent up to now is 152.5 secs Computing kpt #: 53 total cpu time spent up to now is 155.5 secs Computing kpt #: 54 total cpu time spent up to now is 158.5 secs Computing kpt #: 55 total cpu time spent up to now is 161.5 secs Computing kpt #: 56 total cpu time spent up to now is 164.6 secs Computing kpt #: 57 total cpu time spent up to now is 167.5 secs Computing kpt #: 58 total cpu time spent up to now is 170.5 secs Computing kpt #: 59 total cpu time spent up to now is 173.5 secs Computing kpt #: 60 total cpu time spent up to now is 176.4 secs Computing kpt #: 61 total cpu time spent up to now is 179.3 secs Computing kpt #: 62 total cpu time spent up to now is 182.2 secs Computing kpt #: 63 total cpu time spent up to now is 185.0 secs Computing kpt #: 64 total cpu time spent up to now is 187.9 secs Computing kpt #: 65 total cpu time spent up to now is 190.8 secs Computing kpt #: 66 total cpu time spent up to now is 193.6 secs Computing kpt #: 67 total cpu time spent up to now is 196.5 secs Computing kpt #: 68 total cpu time spent up to now is 199.3 secs Computing kpt #: 69 total cpu time spent up to now is 202.1 secs Computing kpt #: 70 total cpu time spent up to now is 205.0 secs Computing kpt #: 71 total cpu time spent up to now is 207.8 secs Computing kpt #: 72 total cpu time spent up to now is 210.6 secs Computing kpt #: 73 total cpu time spent up to now is 213.5 secs Computing kpt #: 74 total cpu time spent up to now is 216.3 secs Computing kpt #: 75 total cpu time spent up to now is 219.1 secs Computing kpt #: 76 total cpu time spent up to now is 222.0 secs Computing kpt #: 77 total cpu time spent up to now is 224.9 secs Computing kpt #: 78 total cpu time spent up to now is 227.8 secs Computing kpt #: 79 total cpu time spent up to now is 230.7 secs Computing kpt #: 80 total cpu time spent up to now is 233.6 secs Computing kpt #: 81 total cpu time spent up to now is 236.5 secs Computing kpt #: 82 total cpu time spent up to now is 239.5 secs Computing kpt #: 83 total cpu time spent up to now is 242.5 secs Computing kpt #: 84 total cpu time spent up to now is 245.5 secs Computing kpt #: 85 total cpu time spent up to now is 248.6 secs Computing kpt #: 86 total cpu time spent up to now is 251.6 secs Computing kpt #: 87 total cpu time spent up to now is 254.6 secs Computing kpt #: 88 total cpu time spent up to now is 257.7 secs Computing kpt #: 89 total cpu time spent up to now is 260.8 secs Computing kpt #: 90 total cpu time spent up to now is 263.8 secs Computing kpt #: 91 total cpu time spent up to now is 266.9 secs Computing kpt #: 92 total cpu time spent up to now is 270.0 secs Computing kpt #: 93 total cpu time spent up to now is 273.1 secs Computing kpt #: 94 total cpu time spent up to now is 276.2 secs Computing kpt #: 95 total cpu time spent up to now is 279.2 secs Computing kpt #: 96 total cpu time spent up to now is 282.2 secs Computing kpt #: 97 total cpu time spent up to now is 285.1 secs Computing kpt #: 98 total cpu time spent up to now is 287.9 secs Computing kpt #: 99 total cpu time spent up to now is 290.8 secs Computing kpt #: 100 total cpu time spent up to now is 293.3 secs Computing kpt #: 101 total cpu time spent up to now is 295.8 secs Computing kpt #: 102 total cpu time spent up to now is 298.3 secs Computing kpt #: 103 total cpu time spent up to now is 300.8 secs Computing kpt #: 104 total cpu time spent up to now is 303.3 secs Computing kpt #: 105 total cpu time spent up to now is 305.8 secs Computing kpt #: 106 total cpu time spent up to now is 308.3 secs Computing kpt #: 107 total cpu time spent up to now is 310.8 secs Computing kpt #: 108 total cpu time spent up to now is 313.2 secs Computing kpt #: 109 total cpu time spent up to now is 315.8 secs Computing kpt #: 110 total cpu time spent up to now is 318.4 secs Computing kpt #: 111 total cpu time spent up to now is 320.9 secs Computing kpt #: 112 total cpu time spent up to now is 323.5 secs Computing kpt #: 113 total cpu time spent up to now is 326.0 secs Computing kpt #: 114 total cpu time spent up to now is 328.7 secs Computing kpt #: 115 total cpu time spent up to now is 331.3 secs Computing kpt #: 116 total cpu time spent up to now is 334.0 secs Computing kpt #: 117 total cpu time spent up to now is 336.7 secs Computing kpt #: 118 total cpu time spent up to now is 339.6 secs Computing kpt #: 119 total cpu time spent up to now is 342.6 secs Computing kpt #: 120 total cpu time spent up to now is 345.5 secs Computing kpt #: 121 total cpu time spent up to now is 348.2 secs Computing kpt #: 122 total cpu time spent up to now is 351.2 secs Computing kpt #: 123 total cpu time spent up to now is 353.8 secs Computing kpt #: 124 total cpu time spent up to now is 356.4 secs Computing kpt #: 125 total cpu time spent up to now is 359.1 secs Computing kpt #: 126 total cpu time spent up to now is 361.8 secs Computing kpt #: 127 total cpu time spent up to now is 364.8 secs Computing kpt #: 128 total cpu time spent up to now is 367.7 secs Computing kpt #: 129 total cpu time spent up to now is 370.7 secs Computing kpt #: 130 total cpu time spent up to now is 373.7 secs Computing kpt #: 131 total cpu time spent up to now is 376.6 secs Computing kpt #: 132 total cpu time spent up to now is 379.5 secs Computing kpt #: 133 total cpu time spent up to now is 382.5 secs Computing kpt #: 134 total cpu time spent up to now is 385.4 secs Computing kpt #: 135 total cpu time spent up to now is 388.3 secs Computing kpt #: 136 total cpu time spent up to now is 391.3 secs Computing kpt #: 137 total cpu time spent up to now is 394.1 secs Computing kpt #: 138 total cpu time spent up to now is 397.0 secs Computing kpt #: 139 total cpu time spent up to now is 399.5 secs Computing kpt #: 140 total cpu time spent up to now is 402.1 secs Computing kpt #: 141 total cpu time spent up to now is 404.7 secs Computing kpt #: 142 total cpu time spent up to now is 407.1 secs Computing kpt #: 143 total cpu time spent up to now is 409.6 secs Computing kpt #: 144 total cpu time spent up to now is 412.0 secs Computing kpt #: 145 total cpu time spent up to now is 414.5 secs Computing kpt #: 146 total cpu time spent up to now is 417.0 secs Computing kpt #: 147 total cpu time spent up to now is 419.6 secs Computing kpt #: 148 total cpu time spent up to now is 422.2 secs Computing kpt #: 149 total cpu time spent up to now is 424.9 secs Computing kpt #: 150 total cpu time spent up to now is 427.9 secs Computing kpt #: 151 total cpu time spent up to now is 430.5 secs Computing kpt #: 152 total cpu time spent up to now is 433.0 secs Computing kpt #: 153 total cpu time spent up to now is 435.6 secs Computing kpt #: 154 total cpu time spent up to now is 438.2 secs Computing kpt #: 155 total cpu time spent up to now is 440.8 secs Computing kpt #: 156 total cpu time spent up to now is 443.4 secs Computing kpt #: 157 total cpu time spent up to now is 446.0 secs Computing kpt #: 158 total cpu time spent up to now is 448.6 secs Computing kpt #: 159 total cpu time spent up to now is 451.1 secs Computing kpt #: 160 total cpu time spent up to now is 453.7 secs Computing kpt #: 161 total cpu time spent up to now is 456.3 secs Computing kpt #: 162 total cpu time spent up to now is 458.9 secs Computing kpt #: 163 total cpu time spent up to now is 461.8 secs Computing kpt #: 164 total cpu time spent up to now is 464.7 secs Computing kpt #: 165 total cpu time spent up to now is 467.6 secs Computing kpt #: 166 total cpu time spent up to now is 470.5 secs Computing kpt #: 167 total cpu time spent up to now is 473.0 secs Computing kpt #: 168 total cpu time spent up to now is 475.6 secs Computing kpt #: 169 total cpu time spent up to now is 478.1 secs Computing kpt #: 170 total cpu time spent up to now is 480.9 secs Computing kpt #: 171 total cpu time spent up to now is 483.5 secs Computing kpt #: 172 total cpu time spent up to now is 486.0 secs Computing kpt #: 173 total cpu time spent up to now is 488.5 secs Computing kpt #: 174 total cpu time spent up to now is 491.0 secs Computing kpt #: 175 total cpu time spent up to now is 493.5 secs Computing kpt #: 176 total cpu time spent up to now is 495.9 secs Computing kpt #: 177 total cpu time spent up to now is 498.3 secs Computing kpt #: 178 total cpu time spent up to now is 500.9 secs Computing kpt #: 179 total cpu time spent up to now is 503.3 secs Computing kpt #: 180 total cpu time spent up to now is 505.7 secs Computing kpt #: 181 total cpu time spent up to now is 508.2 secs Computing kpt #: 182 total cpu time spent up to now is 510.6 secs Computing kpt #: 183 total cpu time spent up to now is 513.0 secs Computing kpt #: 184 total cpu time spent up to now is 515.5 secs Computing kpt #: 185 total cpu time spent up to now is 517.9 secs Computing kpt #: 186 total cpu time spent up to now is 520.3 secs Computing kpt #: 187 total cpu time spent up to now is 522.9 secs Computing kpt #: 188 total cpu time spent up to now is 525.3 secs Computing kpt #: 189 total cpu time spent up to now is 527.8 secs Computing kpt #: 190 total cpu time spent up to now is 530.6 secs Computing kpt #: 191 total cpu time spent up to now is 533.4 secs Computing kpt #: 192 total cpu time spent up to now is 536.2 secs Computing kpt #: 193 total cpu time spent up to now is 539.0 secs Computing kpt #: 194 total cpu time spent up to now is 541.9 secs Computing kpt #: 195 total cpu time spent up to now is 544.6 secs Computing kpt #: 196 total cpu time spent up to now is 547.5 secs Computing kpt #: 197 total cpu time spent up to now is 550.3 secs Computing kpt #: 198 total cpu time spent up to now is 553.1 secs Computing kpt #: 199 total cpu time spent up to now is 555.9 secs Computing kpt #: 200 total cpu time spent up to now is 558.8 secs Computing kpt #: 201 total cpu time spent up to now is 561.7 secs Computing kpt #: 202 total cpu time spent up to now is 564.6 secs Computing kpt #: 203 total cpu time spent up to now is 567.6 secs Computing kpt #: 204 total cpu time spent up to now is 570.7 secs Computing kpt #: 205 total cpu time spent up to now is 573.7 secs Computing kpt #: 206 total cpu time spent up to now is 576.8 secs Computing kpt #: 207 total cpu time spent up to now is 579.9 secs Computing kpt #: 208 total cpu time spent up to now is 582.9 secs Computing kpt #: 209 total cpu time spent up to now is 585.8 secs Computing kpt #: 210 total cpu time spent up to now is 588.6 secs Computing kpt #: 211 total cpu time spent up to now is 591.1 secs Computing kpt #: 212 total cpu time spent up to now is 593.6 secs Computing kpt #: 213 total cpu time spent up to now is 596.1 secs Computing kpt #: 214 total cpu time spent up to now is 598.6 secs Computing kpt #: 215 total cpu time spent up to now is 601.2 secs Computing kpt #: 216 total cpu time spent up to now is 603.6 secs Computing kpt #: 217 total cpu time spent up to now is 606.1 secs Computing kpt #: 218 total cpu time spent up to now is 608.7 secs Computing kpt #: 219 total cpu time spent up to now is 611.2 secs Computing kpt #: 220 total cpu time spent up to now is 613.8 secs Computing kpt #: 221 total cpu time spent up to now is 616.3 secs Computing kpt #: 222 total cpu time spent up to now is 618.9 secs Computing kpt #: 223 total cpu time spent up to now is 621.4 secs Computing kpt #: 224 total cpu time spent up to now is 624.0 secs Computing kpt #: 225 total cpu time spent up to now is 626.9 secs Computing kpt #: 226 total cpu time spent up to now is 629.5 secs Computing kpt #: 227 total cpu time spent up to now is 632.4 secs Computing kpt #: 228 total cpu time spent up to now is 635.5 secs Computing kpt #: 229 total cpu time spent up to now is 638.3 secs Computing kpt #: 230 total cpu time spent up to now is 641.2 secs Computing kpt #: 231 total cpu time spent up to now is 644.2 secs Computing kpt #: 232 total cpu time spent up to now is 647.2 secs Computing kpt #: 233 total cpu time spent up to now is 650.2 secs Computing kpt #: 234 total cpu time spent up to now is 653.2 secs Computing kpt #: 235 total cpu time spent up to now is 656.2 secs Computing kpt #: 236 total cpu time spent up to now is 659.2 secs Computing kpt #: 237 total cpu time spent up to now is 662.1 secs Computing kpt #: 238 total cpu time spent up to now is 665.1 secs Computing kpt #: 239 total cpu time spent up to now is 668.0 secs Computing kpt #: 240 total cpu time spent up to now is 670.9 secs Computing kpt #: 241 total cpu time spent up to now is 673.8 secs Computing kpt #: 242 total cpu time spent up to now is 676.8 secs Computing kpt #: 243 total cpu time spent up to now is 679.7 secs Computing kpt #: 244 total cpu time spent up to now is 682.6 secs Computing kpt #: 245 total cpu time spent up to now is 685.6 secs Computing kpt #: 246 total cpu time spent up to now is 688.6 secs Computing kpt #: 247 total cpu time spent up to now is 691.5 secs Computing kpt #: 248 total cpu time spent up to now is 694.4 secs Computing kpt #: 249 total cpu time spent up to now is 697.3 secs Computing kpt #: 250 total cpu time spent up to now is 700.3 secs Computing kpt #: 251 total cpu time spent up to now is 703.2 secs Computing kpt #: 252 total cpu time spent up to now is 706.1 secs Computing kpt #: 253 total cpu time spent up to now is 708.7 secs Computing kpt #: 254 total cpu time spent up to now is 711.7 secs Computing kpt #: 255 total cpu time spent up to now is 714.3 secs Computing kpt #: 256 total cpu time spent up to now is 717.3 secs Computing kpt #: 257 total cpu time spent up to now is 719.9 secs Computing kpt #: 258 total cpu time spent up to now is 722.5 secs Computing kpt #: 259 total cpu time spent up to now is 725.4 secs Computing kpt #: 260 total cpu time spent up to now is 728.3 secs Computing kpt #: 261 total cpu time spent up to now is 730.9 secs Computing kpt #: 262 total cpu time spent up to now is 733.8 secs Computing kpt #: 263 total cpu time spent up to now is 736.5 secs Computing kpt #: 264 total cpu time spent up to now is 739.0 secs Computing kpt #: 265 total cpu time spent up to now is 741.6 secs Computing kpt #: 266 total cpu time spent up to now is 744.6 secs Computing kpt #: 267 total cpu time spent up to now is 747.2 secs Computing kpt #: 268 total cpu time spent up to now is 749.8 secs Computing kpt #: 269 total cpu time spent up to now is 752.8 secs Computing kpt #: 270 total cpu time spent up to now is 755.8 secs Computing kpt #: 271 total cpu time spent up to now is 758.7 secs Computing kpt #: 272 total cpu time spent up to now is 761.4 secs Computing kpt #: 273 total cpu time spent up to now is 764.0 secs Computing kpt #: 274 total cpu time spent up to now is 766.6 secs Computing kpt #: 275 total cpu time spent up to now is 769.3 secs Computing kpt #: 276 total cpu time spent up to now is 772.2 secs Computing kpt #: 277 total cpu time spent up to now is 775.2 secs Computing kpt #: 278 total cpu time spent up to now is 778.1 secs Computing kpt #: 279 total cpu time spent up to now is 781.0 secs Computing kpt #: 280 total cpu time spent up to now is 784.0 secs Computing kpt #: 281 total cpu time spent up to now is 787.0 secs Computing kpt #: 282 total cpu time spent up to now is 789.9 secs Computing kpt #: 283 total cpu time spent up to now is 792.9 secs Computing kpt #: 284 total cpu time spent up to now is 795.9 secs Computing kpt #: 285 total cpu time spent up to now is 798.9 secs Computing kpt #: 286 total cpu time spent up to now is 801.9 secs Computing kpt #: 287 total cpu time spent up to now is 804.8 secs Computing kpt #: 288 total cpu time spent up to now is 807.7 secs ethr = 1.85E-08, avg # of iterations = 22.4 total cpu time spent up to now is 807.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -3.3458 -3.3458 -2.2091 -2.2091 -2.1209 -2.1209 -0.5187 -0.5187 3.6348 3.6348 4.5443 4.5443 4.7875 4.7875 5.0763 5.0763 5.1283 5.1283 5.4966 5.4966 5.5144 5.5144 5.7429 5.7429 6.1468 6.1468 6.6902 6.6902 6.8351 6.8351 7.1150 7.1150 7.8944 7.8944 8.3125 8.3125 8.5840 8.5840 8.5886 8.5886 8.5930 8.5930 9.2291 9.2291 9.4302 9.4302 10.2137 10.2137 10.7175 10.7175 11.3330 11.3330 11.6911 11.6911 12.2661 12.2661 12.5383 12.5383 12.7110 12.7110 12.7420 12.7420 12.8370 12.8370 k = 0.0109-0.0314-0.0185 ( 4888 PWs) bands (ev): -3.3445 -3.3445 -2.2086 -2.2086 -2.1194 -2.1194 -0.5189 -0.5189 3.6362 3.6362 4.5441 4.5441 4.7871 4.7871 5.0764 5.0764 5.1281 5.1281 5.4986 5.4986 5.5144 5.5144 5.7426 5.7426 6.1468 6.1468 6.6888 6.6888 6.8337 6.8337 7.1147 7.1147 7.8892 7.8892 8.3131 8.3131 8.5678 8.5678 8.5862 8.5862 8.6104 8.6104 9.2298 9.2298 9.4304 9.4304 10.2073 10.2073 10.7144 10.7144 11.3153 11.3153 11.7121 11.7121 12.2501 12.2501 12.5029 12.5029 12.7296 12.7296 12.7410 12.7410 12.8517 12.8517 k = 0.0217-0.0628-0.0369 ( 4886 PWs) bands (ev): -3.3405 -3.3405 -2.2071 -2.2071 -2.1152 -2.1152 -0.5194 -0.5194 3.6406 3.6406 4.5435 4.5435 4.7859 4.7859 5.0769 5.0769 5.1274 5.1274 5.5042 5.5042 5.5144 5.5144 5.7415 5.7415 6.1468 6.1468 6.6846 6.6846 6.8295 6.8295 7.1140 7.1140 7.8743 7.8743 8.3141 8.3141 8.5459 8.5459 8.5844 8.5844 8.6307 8.6307 9.2315 9.2315 9.4313 9.4313 10.1891 10.1891 10.7041 10.7041 11.2737 11.2737 11.7635 11.7635 12.2027 12.2027 12.4271 12.4271 12.7318 12.7318 12.7735 12.7735 12.8852 12.8852 k = 0.0326-0.0942-0.0554 ( 4890 PWs) bands (ev): -3.3339 -3.3339 -2.2045 -2.2045 -2.1081 -2.1081 -0.5203 -0.5203 3.6478 3.6478 4.5424 4.5424 4.7841 4.7841 5.0777 5.0777 5.1265 5.1265 5.5094 5.5094 5.5180 5.5180 5.7400 5.7400 6.1469 6.1469 6.6775 6.6775 6.8228 6.8228 7.1127 7.1127 7.8510 7.8510 8.3135 8.3135 8.5226 8.5226 8.5818 8.5818 8.6513 8.6513 9.2338 9.2338 9.4334 9.4334 10.1608 10.1608 10.6847 10.6847 11.2260 11.2260 11.8253 11.8253 12.1258 12.1258 12.3421 12.3421 12.7348 12.7348 12.8052 12.8052 12.9277 12.9277 k = 0.0435-0.1256-0.0739 ( 4888 PWs) bands (ev): -3.3247 -3.3247 -2.2007 -2.2007 -2.0985 -2.0985 -0.5216 -0.5216 3.6578 3.6578 4.5407 4.5407 4.7819 4.7819 5.0791 5.0791 5.1255 5.1255 5.5086 5.5086 5.5296 5.5296 5.7383 5.7383 6.1474 6.1474 6.6675 6.6675 6.8140 6.8140 7.1106 7.1106 7.8211 7.8211 8.3080 8.3080 8.4987 8.4987 8.5783 8.5783 8.6722 8.6722 9.2357 9.2357 9.4376 9.4376 10.1252 10.1252 10.6539 10.6539 11.1831 11.1831 11.8766 11.8766 12.0291 12.0291 12.2633 12.2633 12.7408 12.7408 12.8262 12.8262 12.9767 12.9767 k = 0.0543-0.1570-0.0923 ( 4890 PWs) bands (ev): -3.3129 -3.3129 -2.1955 -2.1955 -2.0864 -2.0864 -0.5232 -0.5232 3.6706 3.6706 4.5381 4.5381 4.7795 4.7795 5.0812 5.0812 5.1245 5.1245 5.5052 5.5052 5.5449 5.5449 5.7370 5.7370 6.1484 6.1484 6.6545 6.6545 6.8035 6.8035 7.1075 7.1075 7.7863 7.7863 8.2938 8.2938 8.4757 8.4757 8.5744 8.5744 8.6935 8.6935 9.2364 9.2364 9.4447 9.4447 10.0852 10.0852 10.6105 10.6105 11.1490 11.1490 11.8477 11.8477 11.9761 11.9761 12.2005 12.2005 12.7400 12.7400 12.8439 12.8439 13.0304 13.0304 k = 0.0652-0.1883-0.1108 ( 4891 PWs) bands (ev): -3.2985 -3.2985 -2.1890 -2.1890 -2.0720 -2.0720 -0.5251 -0.5251 3.6861 3.6861 4.5345 4.5345 4.7773 4.7773 5.0842 5.0842 5.1237 5.1237 5.4995 5.4995 5.5620 5.5620 5.7368 5.7368 6.1502 6.1502 6.6386 6.6386 6.7916 6.7916 7.1035 7.1035 7.7479 7.7479 8.2673 8.2673 8.4556 8.4556 8.5703 8.5703 8.7148 8.7148 9.2353 9.2353 9.4542 9.4542 10.0438 10.0438 10.5554 10.5554 11.1235 11.1235 11.7219 11.7219 11.9715 11.9715 12.1695 12.1695 12.7234 12.7234 12.8677 12.8677 13.0864 13.0864 k = 0.0761-0.2197-0.1293 ( 4894 PWs) bands (ev): -3.2815 -3.2815 -2.1809 -2.1809 -2.0555 -2.0555 -0.5274 -0.5274 3.7042 3.7042 4.5297 4.5297 4.7757 4.7757 5.0881 5.0881 5.1231 5.1231 5.4911 5.4911 5.5798 5.5798 5.7386 5.7386 6.1529 6.1529 6.6198 6.6198 6.7787 6.7787 7.0984 7.0984 7.7072 7.7072 8.2268 8.2268 8.4395 8.4395 8.5662 8.5662 8.7357 8.7357 9.2321 9.2321 9.4647 9.4647 10.0041 10.0041 10.4908 10.4908 11.1032 11.1032 11.5783 11.5783 11.9350 11.9350 12.1758 12.1758 12.6910 12.6910 12.8976 12.8976 13.1434 13.1434 k = 0.0870-0.2511-0.1477 ( 4892 PWs) bands (ev): -3.2620 -3.2620 -2.1712 -2.1712 -2.0369 -2.0369 -0.5301 -0.5301 3.7249 3.7249 4.5236 4.5236 4.7752 4.7752 5.0929 5.0929 5.1226 5.1226 5.4799 5.4799 5.5972 5.5972 5.7437 5.7437 6.1568 6.1568 6.5983 6.5983 6.7648 6.7648 7.0923 7.0923 7.6649 7.6649 8.1734 8.1734 8.4263 8.4263 8.5624 8.5624 8.7557 8.7557 9.2272 9.2272 9.4733 9.4733 9.9691 9.9691 10.4192 10.4192 11.0817 11.0817 11.4358 11.4358 11.8775 11.8775 12.1955 12.1955 12.6475 12.6475 12.9291 12.9291 13.2006 13.2006 k = 0.0978-0.2825-0.1662 ( 4886 PWs) bands (ev): -3.2399 -3.2399 -2.1599 -2.1599 -2.0164 -2.0164 -0.5331 -0.5331 3.7478 3.7478 4.5162 4.5162 4.7760 4.7760 5.0984 5.0984 5.1218 5.1218 5.4659 5.4659 5.6132 5.6132 5.7528 5.7528 6.1620 6.1620 6.5742 6.5742 6.7499 6.7499 7.0853 7.0853 7.6215 7.6215 8.1099 8.1099 8.4143 8.4143 8.5588 8.5588 8.7744 8.7744 9.2209 9.2209 9.4761 9.4761 9.9416 9.9416 10.3427 10.3427 11.0475 11.0475 11.3086 11.3086 11.8147 11.8147 12.2093 12.2093 12.5980 12.5980 12.9579 12.9579 13.2571 13.2571 k = 0.1087-0.3139-0.1847 ( 4886 PWs) bands (ev): -3.2153 -3.2153 -2.1470 -2.1470 -1.9940 -1.9940 -0.5364 -0.5364 3.7730 3.7730 4.5076 4.5076 4.7782 4.7782 5.1044 5.1044 5.1203 5.1203 5.4498 5.4498 5.6270 5.6270 5.7666 5.7666 6.1685 6.1685 6.5475 6.5475 6.7342 6.7342 7.0776 7.0776 7.5776 7.5776 8.0393 8.0393 8.4021 8.4021 8.5554 8.5554 8.7911 8.7911 9.2134 9.2134 9.4692 9.4692 9.9231 9.9231 10.2628 10.2628 10.9827 10.9827 11.2163 11.2163 11.7536 11.7536 12.2072 12.2072 12.5482 12.5482 12.9812 12.9812 13.3118 13.3118 k = 0.1196-0.3453-0.2031 ( 4879 PWs) bands (ev): -3.1883 -3.1883 -2.1324 -2.1324 -1.9700 -1.9700 -0.5401 -0.5401 3.8002 3.8002 4.4980 4.4980 4.7821 4.7821 5.1097 5.1097 5.1177 5.1177 5.4328 5.4328 5.6385 5.6385 5.7847 5.7847 6.1761 6.1761 6.5181 6.5181 6.7176 6.7176 7.0695 7.0695 7.5335 7.5335 7.9644 7.9644 8.3888 8.3888 8.5522 8.5522 8.8053 8.8053 9.2046 9.2046 9.4502 9.4502 9.9127 9.9127 10.1804 10.1804 10.8861 10.8861 11.1625 11.1625 11.6982 11.6982 12.1822 12.1822 12.5043 12.5043 12.9974 12.9974 13.3629 13.3629 k = 0.1304-0.3767-0.2216 ( 4873 PWs) bands (ev): -3.1588 -3.1588 -2.1162 -2.1162 -1.9444 -1.9444 -0.5441 -0.5441 3.8292 3.8292 4.4879 4.4879 4.7875 4.7875 5.1073 5.1073 5.1197 5.1197 5.4168 5.4168 5.6480 5.6480 5.8061 5.8061 6.1845 6.1845 6.4861 6.4861 6.7005 6.7005 7.0613 7.0613 7.4893 7.4893 7.8880 7.8880 8.3737 8.3737 8.5490 8.5490 8.8167 8.8167 9.1937 9.1937 9.4192 9.4192 9.9058 9.9058 10.0960 10.0960 10.7826 10.7826 11.1254 11.1254 11.6513 11.6513 12.1308 12.1308 12.4697 12.4697 13.0059 13.0059 13.4086 13.4086 k = 0.1413-0.4081-0.2401 ( 4876 PWs) bands (ev): -3.1270 -3.1270 -2.0984 -2.0984 -1.9173 -1.9173 -0.5485 -0.5485 3.8597 3.8597 4.4776 4.4776 4.7943 4.7943 5.0954 5.0954 5.1260 5.1260 5.4040 5.4040 5.6562 5.6562 5.8294 5.8294 6.1933 6.1933 6.4515 6.4515 6.6831 6.6831 7.0532 7.0532 7.4454 7.4454 7.8126 7.8126 8.3566 8.3566 8.5456 8.5456 8.8247 8.8247 9.1793 9.1793 9.3788 9.3788 9.8943 9.8943 10.0108 10.0108 10.6932 10.6932 11.0892 11.0892 11.6150 11.6150 12.0557 12.0557 12.4423 12.4423 13.0066 13.0066 13.4468 13.4468 k = 0.1522-0.4395-0.2585 ( 4873 PWs) bands (ev): -3.0929 -3.0929 -2.0790 -2.0790 -1.8888 -1.8888 -0.5533 -0.5533 3.8915 3.8915 4.4676 4.4676 4.8021 4.8021 5.0761 5.0761 5.1331 5.1331 5.3963 5.3963 5.6635 5.6635 5.8529 5.8529 6.2014 6.2014 6.4151 6.4151 6.6661 6.6661 7.0454 7.0454 7.4021 7.4021 7.7401 7.7401 8.3371 8.3371 8.5417 8.5417 8.8288 8.8288 9.1583 9.1583 9.3334 9.3334 9.8642 9.8642 9.9315 9.9315 10.6296 10.6296 11.0478 11.0478 11.5900 11.5900 11.9626 11.9626 12.4172 12.4172 13.0003 13.0003 13.4762 13.4762 k = 0.1630-0.4709-0.2770 ( 4877 PWs) bands (ev): -3.0564 -3.0564 -2.0580 -2.0580 -1.8590 -1.8590 -0.5584 -0.5584 3.9243 3.9243 4.4583 4.4583 4.8105 4.8105 5.0492 5.0492 5.1406 5.1406 5.3946 5.3946 5.6706 5.6706 5.8743 5.8743 6.2070 6.2070 6.3792 6.3792 6.6502 6.6502 7.0379 7.0379 7.3598 7.3598 7.6722 7.6722 8.3149 8.3149 8.5371 8.5371 8.8283 8.8283 9.1260 9.1260 9.2895 9.2895 9.7950 9.7950 9.8750 9.8750 10.5960 10.5960 10.9996 10.9996 11.5756 11.5756 11.8566 11.8566 12.3903 12.3903 12.9875 12.9875 13.4961 13.4961 k = 0.1739-0.5023-0.2954 ( 4877 PWs) bands (ev): -3.0178 -3.0178 -2.0356 -2.0356 -1.8281 -1.8281 -0.5638 -0.5638 3.9576 3.9576 4.4503 4.4503 4.8189 4.8189 5.0158 5.0158 5.1485 5.1485 5.3985 5.3985 5.6778 5.6778 5.8905 5.8905 6.2070 6.2070 6.3491 6.3491 6.6363 6.6363 7.0306 7.0306 7.3193 7.3193 7.6099 7.6099 8.2899 8.2899 8.5314 8.5314 8.8218 8.8218 9.0791 9.0791 9.2529 9.2529 9.7023 9.7023 9.8281 9.8281 10.5893 10.5893 10.9460 10.9460 11.5698 11.5698 11.7422 11.7422 12.3595 12.3595 12.9691 12.9691 13.5070 13.5070 k = 0.1848-0.5336-0.3139 ( 4870 PWs) bands (ev): -2.9770 -2.9770 -2.0117 -2.0117 -1.7960 -1.7960 -0.5697 -0.5697 3.9910 3.9910 4.4439 4.4439 4.8258 4.8258 4.9782 4.9782 5.1570 5.1570 5.4066 5.4066 5.6853 5.6853 5.8968 5.8968 6.1990 6.1990 6.3317 6.3317 6.6249 6.6249 7.0230 7.0230 7.2815 7.2815 7.5536 7.5536 8.2616 8.2616 8.5242 8.5242 8.8067 8.8067 9.0212 9.0212 9.2241 9.2241 9.6040 9.6040 9.7791 9.7791 10.6002 10.6002 10.8896 10.8896 11.5678 11.5678 11.6254 11.6254 12.3242 12.3242 12.9462 12.9462 13.5100 13.5100 k = 0.1957-0.5650-0.3324 ( 4870 PWs) bands (ev): -2.9341 -2.9341 -1.9865 -1.9865 -1.7630 -1.7630 -0.5759 -0.5759 4.0240 4.0240 4.4398 4.4398 4.8276 4.8276 4.9412 4.9412 5.1660 5.1660 5.4170 5.4170 5.6929 5.6929 5.8876 5.8876 6.1875 6.1875 6.3290 6.3290 6.6164 6.6164 7.0144 7.0144 7.2473 7.2473 7.5030 7.5030 8.2296 8.2296 8.5149 8.5149 8.7778 8.7778 8.9633 8.9633 9.1996 9.1996 9.5054 9.5054 9.7288 9.7288 10.6161 10.6161 10.8350 10.8350 11.4971 11.4971 11.5812 11.5812 12.2846 12.2846 12.9194 12.9194 13.5067 13.5067 k = 0.2065-0.5964-0.3508 ( 4865 PWs) bands (ev): -2.8892 -2.8892 -1.9600 -1.9600 -1.7293 -1.7293 -0.5826 -0.5826 4.0561 4.0561 4.4381 4.4381 4.8152 4.8152 4.9148 4.9148 5.1756 5.1756 5.4272 5.4272 5.6995 5.6995 5.8613 5.8613 6.1821 6.1821 6.3369 6.3369 6.6109 6.6109 7.0041 7.0041 7.2176 7.2176 7.4575 7.4575 8.1932 8.1932 8.5024 8.5024 8.7307 8.7307 8.9169 8.9169 9.1760 9.1760 9.4087 9.4087 9.6790 9.6790 10.6189 10.6189 10.7905 10.7905 11.3840 11.3840 11.5875 11.5875 12.2420 12.2420 12.8896 12.8896 13.4986 13.4986 k = 0.2174-0.6278-0.3693 ( 4870 PWs) bands (ev): -2.8424 -2.8424 -1.9323 -1.9323 -1.6948 -1.6948 -0.5897 -0.5897 4.0865 4.0865 4.4394 4.4394 4.7816 4.7816 4.9070 4.9070 5.1859 5.1859 5.4342 5.4342 5.6997 5.6997 5.8272 5.8272 6.1862 6.1862 6.3509 6.3509 6.6083 6.6083 6.9917 6.9917 7.1927 7.1927 7.4165 7.4165 8.1522 8.1522 8.4850 8.4850 8.6704 8.6704 8.8844 8.8844 9.1514 9.1514 9.3149 9.3149 9.6309 9.6309 10.5912 10.5912 10.7605 10.7605 11.2863 11.2863 11.5961 11.5961 12.1980 12.1980 12.8576 12.8576 13.4867 13.4867 k = 0.2283-0.6592-0.3878 ( 4864 PWs) bands (ev): -2.7937 -2.7937 -1.9036 -1.9036 -1.6597 -1.6597 -0.5973 -0.5973 4.1147 4.1147 4.4437 4.4437 4.7344 4.7344 4.9110 4.9110 5.1969 5.1969 5.4330 5.4330 5.6817 5.6817 5.8076 5.8076 6.1974 6.1974 6.3689 6.3689 6.6083 6.6083 6.9770 6.9770 7.1722 7.1722 7.3791 7.3791 8.1062 8.1062 8.4591 8.4591 8.6103 8.6103 8.8600 8.8600 9.1246 9.1246 9.2243 9.2243 9.5852 9.5852 10.5357 10.5357 10.7253 10.7253 11.2200 11.2200 11.6043 11.6043 12.1546 12.1546 12.8241 12.8241 13.4714 13.4714 k = 0.2391-0.6906-0.4062 ( 4861 PWs) bands (ev): -2.7433 -2.7433 -1.8739 -1.8739 -1.6243 -1.6243 -0.6054 -0.6054 4.1400 4.1400 4.4513 4.4513 4.6815 4.6815 4.9193 4.9193 5.2086 5.2086 5.4158 5.4158 5.6479 5.6479 5.8137 5.8137 6.2122 6.2122 6.3893 6.3893 6.6102 6.6102 6.9609 6.9609 7.1545 7.1545 7.3448 7.3448 8.0560 8.0560 8.4213 8.4213 8.5622 8.5622 8.8387 8.8387 9.0954 9.0954 9.1368 9.1368 9.5420 9.5420 10.4640 10.4640 10.6623 10.6623 11.1946 11.1946 11.6112 11.6112 12.1143 12.1143 12.7896 12.7896 13.4528 13.4528 k = 0.2500-0.7220-0.4247 ( 4864 PWs) bands (ev): -2.6913 -2.6913 -1.8434 -1.8434 -1.5885 -1.5885 -0.6139 -0.6139 4.1620 4.1620 4.4617 4.4617 4.6262 4.6262 4.9291 4.9291 5.2210 5.2210 5.3751 5.3751 5.6199 5.6199 5.8361 5.8361 6.2286 6.2286 6.4109 6.4109 6.6131 6.6131 6.9448 6.9448 7.1372 7.1372 7.3136 7.3136 8.0036 8.0036 8.3740 8.3740 8.5280 8.5280 8.8176 8.8176 9.0523 9.0523 9.0640 9.0640 9.5011 9.5011 10.3803 10.3803 10.5743 10.5743 11.2005 11.2005 11.6166 11.6166 12.0796 12.0796 12.7548 12.7548 13.4308 13.4308 k = 0.2609-0.7534-0.4432 ( 4858 PWs) bands (ev): -2.6378 -2.6378 -1.8122 -1.8122 -1.5527 -1.5527 -0.6231 -0.6231 4.1803 4.1803 4.4742 4.4742 4.5706 4.5706 4.9390 4.9390 5.2340 5.2340 5.3125 5.3125 5.6066 5.6066 5.8677 5.8677 6.2454 6.2454 6.4320 6.4320 6.6161 6.6161 6.9301 6.9301 7.1176 7.1176 7.2860 7.2860 7.9519 7.9519 8.3239 8.3239 8.5024 8.5024 8.7951 8.7951 8.9712 8.9712 9.0306 9.0306 9.4624 9.4624 10.2840 10.2840 10.4772 10.4772 11.2186 11.2186 11.6219 11.6219 12.0524 12.0524 12.7202 12.7202 13.4052 13.4052 k = 0.2717-0.7848-0.4616 ( 4855 PWs) bands (ev): -2.5828 -2.5828 -1.7804 -1.7804 -1.5168 -1.5168 -0.6328 -0.6328 4.1943 4.1943 4.4843 4.4843 4.5192 4.5192 4.9482 4.9482 5.2338 5.2338 5.2517 5.2517 5.6042 5.6042 5.9057 5.9057 6.2624 6.2624 6.4502 6.4502 6.6182 6.6182 6.9174 6.9174 7.0941 7.0941 7.2636 7.2636 7.9044 7.9044 8.2755 8.2755 8.4803 8.4803 8.7696 8.7696 8.8936 8.8936 8.9963 8.9963 9.4256 9.4256 10.1744 10.1744 10.3829 10.3829 11.2328 11.2328 11.6308 11.6308 12.0338 12.0338 12.6864 12.6864 13.3765 13.3765 k = 0.2826-0.8162-0.4801 ( 4853 PWs) bands (ev): -2.5266 -2.5266 -1.7483 -1.7483 -1.4812 -1.4812 -0.6431 -0.6431 4.2034 4.2034 4.4529 4.4529 4.5111 4.5111 4.9555 4.9555 5.1586 5.1586 5.2638 5.2638 5.6078 5.6078 5.9486 5.9486 6.2798 6.2798 6.4627 6.4627 6.6186 6.6186 6.9063 6.9063 7.0681 7.0681 7.2473 7.2473 7.8637 7.8637 8.2301 8.2301 8.4591 8.4591 8.7385 8.7385 8.8213 8.8213 8.9619 8.9619 9.3905 9.3905 10.0546 10.0546 10.2951 10.2951 11.2322 11.2322 11.6472 11.6472 12.0234 12.0234 12.6536 12.6536 13.3457 13.3457 k = 0.2935-0.8476-0.4986 ( 4856 PWs) bands (ev): -2.4693 -2.4693 -1.7159 -1.7159 -1.4459 -1.4459 -0.6541 -0.6541 4.2063 4.2063 4.4014 4.4014 4.5250 4.5250 4.9585 4.9585 5.0862 5.0862 5.2791 5.2791 5.6150 5.6150 5.9953 5.9953 6.2978 6.2978 6.4665 6.4665 6.6165 6.6165 6.8946 6.8946 7.0454 7.0454 7.2374 7.2374 7.8308 7.8308 8.1877 8.1877 8.4374 8.4374 8.6965 8.6965 8.7590 8.7590 8.9282 8.9282 9.3571 9.3571 9.9300 9.9300 10.2125 10.2125 11.2125 11.2125 11.6722 11.6722 12.0195 12.0195 12.6224 12.6224 13.3145 13.3145 k = 0.3043-0.8789-0.5170 ( 4862 PWs) bands (ev): -2.4111 -2.4111 -1.6835 -1.6835 -1.4112 -1.4112 -0.6657 -0.6657 4.2006 4.2006 4.3522 4.3522 4.5392 4.5392 4.9480 4.9480 5.0322 5.0322 5.2951 5.2951 5.6250 5.6250 6.0450 6.0450 6.3166 6.3166 6.4591 6.4591 6.6102 6.6102 6.8809 6.8809 7.0329 7.0329 7.2334 7.2334 7.8050 7.8050 8.1478 8.1478 8.4146 8.4146 8.6395 8.6395 8.7105 8.7105 8.8960 8.8960 9.3255 9.3255 9.8056 9.8056 10.1333 10.1333 11.1751 11.1751 11.7030 11.7030 12.0198 12.0198 12.5927 12.5927 13.2857 13.2857 k = 0.3152-0.9103-0.5355 ( 4854 PWs) bands (ev): -2.3520 -2.3520 -1.6513 -1.6513 -1.3771 -1.3771 -0.6781 -0.6781 4.1827 4.1827 4.3090 4.3090 4.5519 4.5519 4.9117 4.9117 5.0120 5.0120 5.3118 5.3118 5.6374 5.6374 6.0963 6.0963 6.3362 6.3362 6.4395 6.4395 6.5981 6.5981 6.8686 6.8686 7.0326 7.0326 7.2353 7.2353 7.7850 7.7850 8.1099 8.1099 8.3898 8.3898 8.5746 8.5746 8.6691 8.6691 8.8654 8.8654 9.2958 9.2958 9.6853 9.6853 10.0560 10.0560 11.1240 11.1240 11.7346 11.7346 12.0220 12.0220 12.5645 12.5645 13.2625 13.2625 k = 0.3261-0.9417-0.5540 ( 4841 PWs) bands (ev): -2.2924 -2.2924 -1.6196 -1.6196 -1.3439 -1.3439 -0.6912 -0.6912 4.1504 4.1504 4.2732 4.2732 4.5623 4.5623 4.8680 4.8680 5.0102 5.0102 5.3289 5.3289 5.6521 5.6521 6.1474 6.1474 6.3560 6.3560 6.4093 6.4093 6.5800 6.5800 6.8631 6.8631 7.0407 7.0407 7.2433 7.2433 7.7686 7.7686 8.0736 8.0736 8.3624 8.3624 8.5080 8.5080 8.6290 8.6290 8.8361 8.8361 9.2684 9.2684 9.5722 9.5722 9.9800 9.9800 11.0631 11.0631 11.7624 11.7624 12.0243 12.0243 12.5376 12.5376 13.2484 13.2484 k = 0.3370-0.9731-0.5724 ( 4844 PWs) bands (ev): -2.2323 -2.2323 -1.5885 -1.5885 -1.3116 -1.3116 -0.7051 -0.7051 4.1057 4.1057 4.2422 4.2422 4.5699 4.5699 4.8325 4.8325 5.0128 5.0128 5.3462 5.3462 5.6689 5.6689 6.1947 6.1947 6.3605 6.3605 6.3877 6.3877 6.5595 6.5595 6.8663 6.8663 7.0525 7.0525 7.2579 7.2579 7.7540 7.7540 8.0388 8.0388 8.3314 8.3314 8.4421 8.4421 8.5894 8.5894 8.8071 8.8071 9.2439 9.2439 9.4689 9.4689 9.9047 9.9047 10.9954 10.9954 11.7822 11.7822 12.0260 12.0260 12.5115 12.5115 13.2462 13.2462 k = 0.3478-1.0045-0.5909 ( 4843 PWs) bands (ev): -2.1720 -2.1720 -1.5584 -1.5584 -1.2805 -1.2805 -0.7198 -0.7198 4.0534 4.0534 4.2121 4.2121 4.5742 4.5742 4.8091 4.8091 5.0163 5.0163 5.3637 5.3637 5.6874 5.6874 6.2265 6.2265 6.3304 6.3304 6.4056 6.4056 6.5423 6.5423 6.8766 6.8766 7.0649 7.0649 7.2789 7.2789 7.7400 7.7400 8.0054 8.0054 8.2957 8.2957 8.3779 8.3779 8.5507 8.5507 8.7775 8.7775 9.2226 9.2226 9.3779 9.3779 9.8302 9.8302 10.9231 10.9231 11.7906 11.7906 12.0283 12.0283 12.4858 12.4858 13.2576 13.2576 k = 0.3587-1.0359-0.6094 ( 4848 PWs) bands (ev): -2.1118 -2.1118 -1.5297 -1.5297 -1.2506 -1.2506 -0.7353 -0.7353 3.9969 3.9969 4.1813 4.1813 4.5746 4.5746 4.7983 4.7983 5.0197 5.0197 5.3810 5.3810 5.7073 5.7073 6.2165 6.2165 6.3259 6.3259 6.4273 6.4273 6.5354 6.5354 6.8913 6.8913 7.0765 7.0765 7.3051 7.3051 7.7260 7.7260 7.9731 7.9731 8.2542 8.2542 8.3164 8.3164 8.5139 8.5139 8.7462 8.7462 9.2036 9.2036 9.3025 9.3025 9.7567 9.7567 10.8475 10.8475 11.7852 11.7852 12.0328 12.0328 12.4604 12.4604 13.2827 13.2827 k = 0.3696-1.0673-0.6278 ( 4847 PWs) bands (ev): -2.0517 -2.0517 -1.5025 -1.5025 -1.2221 -1.2221 -0.7515 -0.7515 3.9384 3.9384 4.1503 4.1503 4.5707 4.5707 4.7985 4.7985 5.0227 5.0227 5.3981 5.3981 5.7276 5.7276 6.1761 6.1761 6.3362 6.3362 6.4488 6.4488 6.5458 6.5458 6.9085 6.9085 7.0874 7.0874 7.3341 7.3341 7.7124 7.7124 7.9416 7.9416 8.2062 8.2062 8.2590 8.2590 8.4793 8.4793 8.7126 8.7126 9.1808 9.1808 9.2497 9.2497 9.6846 9.6846 10.7698 10.7698 11.7657 11.7657 12.0407 12.0407 12.4355 12.4355 13.3196 13.3196 k = 0.3804-1.0987-0.6463 ( 4850 PWs) bands (ev): -1.9922 -1.9922 -1.4774 -1.4774 -1.1950 -1.1950 -0.7685 -0.7685 3.8794 3.8794 4.1203 4.1203 4.5625 4.5625 4.8080 4.8080 5.0253 5.0253 5.4147 5.4147 5.7469 5.7469 6.1330 6.1330 6.3348 6.3348 6.4714 6.4714 6.5735 6.5735 6.9271 6.9271 7.0985 7.0985 7.3627 7.3627 7.7004 7.7004 7.9106 7.9106 8.1525 8.1525 8.2071 8.2071 8.4466 8.4466 8.6768 8.6768 9.1453 9.1453 9.2282 9.2282 9.6147 9.6147 10.6909 10.6909 11.7343 11.7343 12.0516 12.0516 12.4114 12.4114 13.3658 13.3658 k = 0.3913-1.1301-0.6648 ( 4849 PWs) bands (ev): -1.9335 -1.9335 -1.4547 -1.4547 -1.1694 -1.1694 -0.7861 -0.7861 3.8214 3.8214 4.0922 4.0922 4.5502 4.5502 4.8244 4.8244 5.0274 5.0274 5.4305 5.4305 5.7632 5.7632 6.0971 6.0971 6.3209 6.3209 6.4949 6.4949 6.6104 6.6104 6.9472 6.9472 7.1107 7.1107 7.3875 7.3875 7.6920 7.6920 7.8796 7.8796 8.0956 8.0956 8.1611 8.1611 8.4152 8.4152 8.6398 8.6398 9.1053 9.1053 9.2273 9.2273 9.5486 9.5486 10.6113 10.6113 11.6943 11.6943 12.0646 12.0646 12.3884 12.3884 13.4180 13.4180 k = 0.4022-1.1615-0.6832 ( 4852 PWs) bands (ev): -1.8759 -1.8759 -1.4349 -1.4349 -1.1453 -1.1453 -0.8043 -0.8043 3.7656 3.7656 4.0669 4.0669 4.5347 4.5347 4.8456 4.8456 5.0290 5.0290 5.4455 5.4455 5.7743 5.7743 6.0733 6.0733 6.3000 6.3000 6.5175 6.5175 6.6481 6.6481 6.9699 6.9699 7.1248 7.1248 7.4056 7.4056 7.6888 7.6888 7.8480 7.8480 8.0386 8.0386 8.1216 8.1216 8.3843 8.3843 8.6030 8.6030 9.0685 9.0685 9.2346 9.2346 9.4895 9.4895 10.5316 10.5316 11.6492 11.6492 12.0787 12.0787 12.3668 12.3668 13.4728 13.4728 k = 0.4130-1.1929-0.7017 ( 4843 PWs) bands (ev): -1.8197 -1.8197 -1.4185 -1.4185 -1.1226 -1.1226 -0.8229 -0.8229 3.7130 3.7130 4.0447 4.0447 4.5167 4.5167 4.8697 4.8697 5.0302 5.0302 5.4592 5.4592 5.7790 5.7790 6.0642 6.0642 6.2759 6.2759 6.5369 6.5369 6.6803 6.6803 6.9973 6.9973 7.1410 7.1410 7.4154 7.4154 7.6907 7.6907 7.8160 7.8160 7.9835 7.9835 8.0901 8.0901 8.3536 8.3536 8.5678 8.5678 9.0355 9.0355 9.2409 9.2409 9.4442 9.4442 10.4524 10.4524 11.6020 11.6020 12.0931 12.0931 12.3465 12.3465 13.5272 13.5272 k = 0.4239-1.2243-0.7202 ( 4846 PWs) bands (ev): -1.7653 -1.7653 -1.4061 -1.4061 -1.1014 -1.1014 -0.8418 -0.8418 3.6647 3.6647 4.0258 4.0258 4.4972 4.4972 4.8949 4.8949 5.0309 5.0309 5.4714 5.4714 5.7783 5.7783 6.0689 6.0689 6.2509 6.2509 6.5509 6.5509 6.7042 6.7042 7.0310 7.0310 7.1595 7.1595 7.4180 7.4180 7.6943 7.6943 7.7847 7.7847 7.9318 7.9318 8.0682 8.0682 8.3230 8.3230 8.5359 8.5359 9.0049 9.0049 9.2341 9.2341 9.4243 9.4243 10.3739 10.3739 11.5553 11.5553 12.1074 12.1074 12.3277 12.3277 13.5786 13.5786 k = 0.4348-1.2556-0.7386 ( 4851 PWs) bands (ev): -1.7130 -1.7130 -1.3981 -1.3981 -1.0814 -1.0814 -0.8607 -0.8607 3.6214 3.6214 4.0103 4.0103 4.4772 4.4772 4.9199 4.9199 5.0313 5.0313 5.4818 5.4818 5.7752 5.7752 6.0832 6.0832 6.2273 6.2273 6.5567 6.5567 6.7205 6.7205 7.0705 7.0705 7.1798 7.1798 7.4161 7.4161 7.6941 7.6941 7.7561 7.7561 7.8849 7.8849 8.0565 8.0565 8.2931 8.2931 8.5086 8.5086 8.9754 8.9754 9.2091 9.2091 9.4350 9.4350 10.2968 10.2968 11.5110 11.5110 12.1214 12.1214 12.3103 12.3103 13.6251 13.6251 k = 0.4457-1.2870-0.7571 ( 4856 PWs) bands (ev): -1.6633 -1.6633 -1.3950 -1.3950 -1.0627 -1.0627 -0.8793 -0.8793 3.5837 3.5837 3.9978 3.9978 4.4578 4.4578 4.9435 4.9435 5.0311 5.0311 5.4901 5.4901 5.7729 5.7729 6.1004 6.1004 6.2092 6.2092 6.5520 6.5520 6.7326 6.7326 7.1126 7.1126 7.2018 7.2018 7.4126 7.4126 7.6854 7.6854 7.7320 7.7320 7.8442 7.8442 8.0544 8.0544 8.2647 8.2647 8.4872 8.4872 8.9455 8.9455 9.1758 9.1758 9.4667 9.4667 10.2217 10.2217 11.4709 11.4709 12.1349 12.1349 12.2942 12.2942 13.6652 13.6652 k = 0.4565-1.3184-0.7756 ( 4866 PWs) bands (ev): -1.6166 -1.6166 -1.3972 -1.3972 -1.0450 -1.0450 -0.8975 -0.8975 3.5522 3.5522 3.9883 3.9883 4.4401 4.4401 4.9646 4.9646 5.0305 5.0305 5.4964 5.4964 5.7731 5.7731 6.1103 6.1103 6.2046 6.2046 6.5367 6.5367 6.7432 6.7432 7.1526 7.1526 7.2252 7.2252 7.4099 7.4099 7.6701 7.6701 7.7103 7.7103 7.8105 7.8105 8.0596 8.0596 8.2387 8.2387 8.4726 8.4726 8.9148 8.9148 9.1440 9.1440 9.5093 9.5093 10.1496 10.1496 11.4364 11.4364 12.1476 12.1476 12.2795 12.2795 13.6982 13.6982 k = 0.4674-1.3498-0.7940 ( 4875 PWs) bands (ev): -1.5734 -1.5734 -1.4049 -1.4049 -1.0284 -1.0284 -0.9149 -0.9149 3.5273 3.5273 3.9814 3.9814 4.4250 4.4250 4.9826 4.9826 5.0292 5.0292 5.5008 5.5008 5.7760 5.7760 6.1061 6.1061 6.2188 6.2188 6.5134 6.5134 6.7531 6.7531 7.1852 7.1852 7.2498 7.2498 7.4095 7.4095 7.6542 7.6542 7.6884 7.6884 7.7834 7.7834 8.0689 8.0689 8.2162 8.2162 8.4649 8.4649 8.8847 8.8847 9.1185 9.1185 9.5563 9.5563 10.0823 10.0823 11.4084 11.4084 12.1594 12.1594 12.2663 12.2663 13.7237 13.7237 k = 0.4783-1.3812-0.8125 ( 4876 PWs) bands (ev): -1.5346 -1.5346 -1.4180 -1.4180 -1.0132 -1.0132 -0.9309 -0.9309 3.5093 3.5093 3.9767 3.9767 4.4136 4.4136 4.9972 4.9972 5.0270 5.0270 5.5036 5.5036 5.7803 5.7803 6.0951 6.0951 6.2428 6.2428 6.4869 6.4869 6.7613 6.7613 7.2076 7.2076 7.2729 7.2729 7.4119 7.4119 7.6421 7.6421 7.6679 7.6679 7.7621 7.7621 8.0790 8.0790 8.1980 8.1980 8.4629 8.4629 8.8582 8.8582 9.1006 9.1006 9.6020 9.6020 10.0232 10.0232 11.3878 11.3878 12.1697 12.1697 12.2551 12.2551 13.7418 13.7418 k = 0.4891-1.4126-0.8310 ( 4865 PWs) bands (ev): -1.5016 -1.5016 -1.4354 -1.4354 -1.0006 -1.0006 -0.9441 -0.9441 3.4984 3.4984 3.9741 3.9741 4.4063 4.4063 5.0079 5.0079 5.0238 5.0238 5.5051 5.5051 5.7842 5.7842 6.0858 6.0858 6.2649 6.2649 6.4641 6.4641 6.7668 6.7668 7.2199 7.2199 7.2896 7.2896 7.4153 7.4153 7.6360 7.6360 7.6521 7.6521 7.7476 7.7476 8.0870 8.0870 8.1856 8.1856 8.4637 8.4637 8.8395 8.8395 9.0902 9.0902 9.6381 9.6381 9.9793 9.9793 11.3753 11.3753 12.1772 12.1772 12.2471 12.2471 13.7525 13.7525 k = 0.5000-1.4440-0.8494 ( 4860 PWs) bands (ev): -1.4836 -1.4836 -1.4481 -1.4481 -0.9949 -0.9949 -0.9499 -0.9499 3.4948 3.4948 3.9732 3.9732 4.4039 4.4039 5.0133 5.0133 5.0210 5.0210 5.5055 5.5055 5.7857 5.7857 6.0823 6.0823 6.2742 6.2742 6.4547 6.4547 6.7688 6.7688 7.2239 7.2239 7.2956 7.2956 7.4170 7.4170 7.6351 7.6351 7.6454 7.6454 7.7423 7.7423 8.0901 8.0901 8.1811 8.1811 8.4645 8.4645 8.8328 8.8328 9.0868 9.0868 9.6527 9.6527 9.9623 9.9623 11.3711 11.3711 12.1800 12.1800 12.2440 12.2440 13.7561 13.7561 k = 0.5000-1.4440-0.8494 ( 4860 PWs) bands (ev): -1.4836 -1.4836 -1.4481 -1.4481 -0.9949 -0.9949 -0.9499 -0.9499 3.4948 3.4948 3.9732 3.9732 4.4039 4.4039 5.0133 5.0133 5.0210 5.0210 5.5055 5.5055 5.7857 5.7857 6.0823 6.0823 6.2742 6.2742 6.4547 6.4547 6.7688 6.7688 7.2239 7.2239 7.2956 7.2956 7.4170 7.4170 7.6351 7.6351 7.6454 7.6454 7.7423 7.7423 8.0901 8.0901 8.1811 8.1811 8.4645 8.4645 8.8328 8.8328 9.0868 9.0868 9.6527 9.6527 9.9623 9.9623 11.3711 11.3711 12.1800 12.1800 12.2440 12.2440 13.7561 13.7561 k = 0.5000-1.4251-0.8815 ( 4864 PWs) bands (ev): -1.4831 -1.4831 -1.4474 -1.4474 -0.9950 -0.9950 -0.9496 -0.9496 3.4962 3.4962 3.9743 3.9743 4.4046 4.4046 4.9887 4.9887 5.0456 5.0456 5.5067 5.5067 5.7854 5.7854 6.0792 6.0792 6.2692 6.2692 6.4571 6.4571 6.7674 6.7674 7.2224 7.2224 7.2945 7.2945 7.4143 7.4143 7.5924 7.5924 7.6731 7.6731 7.7604 7.7604 8.0894 8.0894 8.1825 8.1825 8.4654 8.4654 8.8234 8.8234 9.0781 9.0781 9.6678 9.6678 9.9678 9.9678 11.3692 11.3692 12.1695 12.1695 12.2367 12.2367 13.7650 13.7650 k = 0.5000-1.4062-0.9136 ( 4868 PWs) bands (ev): -1.4815 -1.4815 -1.4451 -1.4451 -0.9951 -0.9951 -0.9485 -0.9485 3.5004 3.5004 3.9777 3.9777 4.4069 4.4069 4.9607 4.9607 5.0736 5.0736 5.5101 5.5101 5.7845 5.7845 6.0698 6.0698 6.2559 6.2559 6.4632 6.4632 6.7633 6.7633 7.2172 7.2172 7.2914 7.2914 7.4073 7.4073 7.5372 7.5372 7.6984 7.6984 7.7993 7.7993 8.0880 8.0880 8.1867 8.1867 8.4680 8.4680 8.7943 8.7943 9.0586 9.0586 9.7077 9.7077 9.9837 9.9837 11.3638 11.3638 12.1398 12.1398 12.2150 12.2150 13.7902 13.7902 k = 0.5000-1.3873-0.9457 ( 4866 PWs) bands (ev): -1.4790 -1.4790 -1.4413 -1.4413 -0.9954 -0.9954 -0.9468 -0.9468 3.5074 3.5074 3.9833 3.9833 4.4106 4.4106 4.9329 4.9329 5.1015 5.1015 5.5156 5.5156 5.7826 5.7826 6.0533 6.0533 6.2378 6.2378 6.4707 6.4707 6.7560 6.7560 7.2066 7.2066 7.2860 7.2860 7.3988 7.3988 7.4820 7.4820 7.7256 7.7256 7.8403 7.8403 8.0869 8.0869 8.1935 8.1935 8.4727 8.4727 8.7448 8.7448 9.0400 9.0400 9.7609 9.7609 10.0087 10.0087 11.3551 11.3551 12.0953 12.0953 12.1810 12.1810 13.8283 13.8283 k = 0.5000-1.3684-0.9778 ( 4862 PWs) bands (ev): -1.4755 -1.4755 -1.4361 -1.4361 -0.9957 -0.9957 -0.9443 -0.9443 3.5171 3.5171 3.9912 3.9912 4.4158 4.4158 4.9054 4.9054 5.1290 5.1290 5.5232 5.5232 5.7794 5.7794 6.0291 6.0291 6.2185 6.2185 6.4772 6.4772 6.7450 6.7450 7.1875 7.1875 7.2782 7.2782 7.3905 7.3905 7.4336 7.4336 7.7553 7.7553 7.8757 7.8757 8.0880 8.0880 8.2029 8.2029 8.4793 8.4793 8.6799 8.6799 9.0280 9.0280 9.8171 9.8171 10.0406 10.0406 11.3438 11.3438 12.0416 12.0416 12.1380 12.1380 13.8744 13.8744 k = 0.5000-1.3496-1.0099 ( 4866 PWs) bands (ev): -1.4710 -1.4710 -1.4294 -1.4294 -0.9962 -0.9962 -0.9413 -0.9413 3.5295 3.5295 4.0013 4.0013 4.4225 4.4225 4.8784 4.8784 5.1561 5.1561 5.5326 5.5326 5.7741 5.7741 5.9977 5.9977 6.2003 6.2003 6.4811 6.4811 6.7301 6.7301 7.1576 7.1576 7.2670 7.2670 7.3818 7.3818 7.3999 7.3999 7.7852 7.7852 7.9012 7.9012 8.0937 8.0937 8.2147 8.2147 8.4875 8.4875 8.6086 8.6086 9.0222 9.0222 9.8691 9.8691 10.0757 10.0757 11.3311 11.3311 11.9837 11.9837 12.0904 12.0904 13.9234 13.9234 k = 0.5000-1.3307-1.0420 ( 4864 PWs) bands (ev): -1.4655 -1.4655 -1.4214 -1.4214 -0.9967 -0.9967 -0.9377 -0.9377 3.5445 3.5445 4.0137 4.0137 4.4306 4.4306 4.8519 4.8519 5.1825 5.1825 5.5434 5.5434 5.7654 5.7654 5.9611 5.9611 6.1841 6.1841 6.4805 6.4805 6.7114 6.7114 7.1170 7.1170 7.2524 7.2524 7.3688 7.3688 7.3874 7.3874 7.8114 7.8114 7.9160 7.9160 8.1057 8.1057 8.2279 8.2279 8.4921 8.4921 8.5455 8.5455 9.0204 9.0204 9.9121 9.9121 10.1092 10.1092 11.3188 11.3188 11.9269 11.9269 12.0423 12.0423 13.9704 13.9704 k = 0.5000-1.3118-1.0741 ( 4862 PWs) bands (ev): -1.4590 -1.4590 -1.4120 -1.4120 -0.9974 -0.9974 -0.9337 -0.9337 3.5619 3.5619 4.0285 4.0285 4.4401 4.4401 4.8260 4.8260 5.2081 5.2081 5.5553 5.5553 5.7511 5.7511 5.9228 5.9228 6.1696 6.1696 6.4733 6.4733 6.6905 6.6905 7.0698 7.0698 7.2356 7.2356 7.3584 7.3584 7.3853 7.3853 7.8282 7.8282 7.9238 7.9238 8.1228 8.1228 8.2395 8.2395 8.4636 8.4636 8.5297 8.5297 9.0211 9.0211 9.9431 9.9431 10.1361 10.1361 11.3091 11.3091 11.8758 11.8758 11.9971 11.9971 14.0118 14.0118 k = 0.5000-1.2929-1.1062 ( 4858 PWs) bands (ev): -1.4516 -1.4516 -1.4013 -1.4013 -0.9983 -0.9983 -0.9292 -0.9292 3.5818 3.5818 4.0456 4.0456 4.4511 4.4511 4.8008 4.8008 5.2326 5.2326 5.5673 5.5673 5.7284 5.7284 5.8874 5.8874 6.1562 6.1562 6.4574 6.4574 6.6696 6.6696 7.0214 7.0214 7.2173 7.2173 7.3508 7.3508 7.3877 7.3877 7.8291 7.8291 7.9321 7.9321 8.1426 8.1426 8.2439 8.2439 8.4301 8.4301 8.5445 8.5445 9.0231 9.0231 9.9597 9.9597 10.1513 10.1513 11.3047 11.3047 11.8345 11.8345 11.9568 11.9568 14.0453 14.0453 k = 0.5000-1.2740-1.1384 ( 4850 PWs) bands (ev): -1.4432 -1.4432 -1.3895 -1.3895 -0.9993 -0.9993 -0.9244 -0.9244 3.6038 3.6038 4.0651 4.0651 4.4634 4.4634 4.7765 4.7765 5.2555 5.2555 5.5779 5.5779 5.6953 5.6953 5.8589 5.8589 6.1432 6.1432 6.4311 6.4311 6.6513 6.6513 6.9758 6.9758 7.1969 7.1969 7.3427 7.3427 7.3939 7.3939 7.8144 7.8144 7.9420 7.9420 8.1624 8.1624 8.2376 8.2376 8.4221 8.4221 8.5662 8.5662 9.0257 9.0257 9.9604 9.9604 10.1512 10.1512 11.3078 11.3078 11.8059 11.8059 11.9230 11.9230 14.0696 14.0696 k = 0.5000-1.2551-1.1705 ( 4840 PWs) bands (ev): -1.4340 -1.4340 -1.3766 -1.3766 -1.0005 -1.0005 -0.9193 -0.9193 3.6278 3.6278 4.0871 4.0871 4.4770 4.4770 4.7532 4.7532 5.2763 5.2763 5.5831 5.5831 5.6556 5.6556 5.8380 5.8380 6.1301 6.1301 6.3957 6.3957 6.6365 6.6365 6.9351 6.9351 7.1727 7.1727 7.3330 7.3330 7.4029 7.4029 7.7910 7.7910 7.9494 7.9494 8.1785 8.1785 8.2307 8.2307 8.4355 8.4355 8.5928 8.5928 9.0284 9.0284 9.9449 9.9449 10.1342 10.1342 11.3194 11.3194 11.7908 11.7908 11.8967 11.8967 14.0844 14.0844 k = 0.5000-1.2363-1.2026 ( 4838 PWs) bands (ev): -1.4239 -1.4239 -1.3627 -1.3627 -1.0019 -1.0019 -0.9142 -0.9142 3.6536 3.6536 4.1115 4.1115 4.4919 4.4919 4.7309 4.7309 5.2941 5.2941 5.5671 5.5671 5.6265 5.6265 5.8231 5.8231 6.1163 6.1163 6.3549 6.3549 6.6241 6.6241 6.9007 6.9007 7.1427 7.1427 7.3220 7.3220 7.4136 7.4136 7.7660 7.7660 7.9512 7.9512 8.1851 8.1851 8.2376 8.2376 8.4591 8.4591 8.6243 8.6243 9.0307 9.0307 9.9142 9.9142 10.1007 10.1007 11.3389 11.3389 11.7880 11.7880 11.8796 11.8796 14.0900 14.0900 k = 0.5000-1.2174-1.2347 ( 4838 PWs) bands (ev): -1.4129 -1.4129 -1.3479 -1.3479 -1.0036 -1.0036 -0.9089 -0.9089 3.6810 3.6810 4.1385 4.1385 4.5079 4.5079 4.7099 4.7099 5.3080 5.3080 5.5206 5.5206 5.6185 5.6185 5.8129 5.8129 6.1015 6.1015 6.3135 6.3135 6.6125 6.6125 6.8727 6.8727 7.1056 7.1056 7.3108 7.3108 7.4251 7.4251 7.7438 7.7438 7.9476 7.9476 8.1861 8.1861 8.2570 8.2570 8.4857 8.4857 8.6608 8.6608 9.0320 9.0320 9.8703 9.8703 10.0531 10.0531 11.3637 11.3637 11.7937 11.7937 11.8743 11.8743 14.0868 14.0868 k = 0.5000-1.1985-1.2668 ( 4838 PWs) bands (ev): -1.4011 -1.4011 -1.3324 -1.3324 -1.0056 -1.0056 -0.9038 -0.9038 3.7096 3.7096 4.1681 4.1681 4.5250 4.5250 4.6902 4.6902 5.3162 5.3162 5.4636 5.4636 5.6120 5.6120 5.8070 5.8070 6.0853 6.0853 6.2763 6.2763 6.6000 6.6000 6.8510 6.8510 7.0618 7.0618 7.3005 7.3005 7.4366 7.4366 7.7268 7.7268 7.9407 7.9407 8.1877 8.1877 8.2810 8.2810 8.5115 8.5115 8.7023 8.7023 9.0317 9.0317 9.8162 9.8162 9.9954 9.9954 11.3901 11.3901 11.8034 11.8034 11.8837 11.8837 14.0756 14.0756 k = 0.5000-1.1796-1.2989 ( 4848 PWs) bands (ev): -1.3886 -1.3886 -1.3164 -1.3164 -1.0079 -1.0079 -0.8989 -0.8989 3.7391 3.7391 4.2003 4.2003 4.5428 4.5428 4.6721 4.6721 5.3165 5.3165 5.4045 5.4045 5.6000 5.6000 5.8049 5.8049 6.0686 6.0686 6.2462 6.2462 6.5860 6.5860 6.8346 6.8346 7.0137 7.0137 7.2915 7.2915 7.4477 7.4477 7.7147 7.7147 7.9334 7.9334 8.1904 8.1904 8.3060 8.3060 8.5350 8.5350 8.7478 8.7478 9.0291 9.0291 9.7548 9.7548 9.9318 9.9318 11.4134 11.4134 11.8165 11.8165 11.9069 11.9069 14.0571 14.0571 k = 0.5000-1.1607-1.3310 ( 4846 PWs) bands (ev): -1.3754 -1.3754 -1.2999 -1.2999 -1.0105 -1.0105 -0.8942 -0.8942 3.7691 3.7691 4.2351 4.2351 4.5606 4.5606 4.6564 4.6564 5.3051 5.3051 5.3475 5.3475 5.5819 5.5819 5.8050 5.8050 6.0534 6.0534 6.2244 6.2244 6.5706 6.5706 6.8217 6.8217 6.9650 6.9650 7.2839 7.2839 7.4582 7.4582 7.7058 7.7058 7.9280 7.9280 8.1931 8.1931 8.3302 8.3302 8.5557 8.5557 8.7956 8.7956 9.0240 9.0240 9.6889 9.6889 9.8672 9.8672 11.4295 11.4295 11.8357 11.8357 11.9394 11.9394 14.0322 14.0322 k = 0.5000-1.1418-1.3631 ( 4850 PWs) bands (ev): -1.3616 -1.3616 -1.2831 -1.2831 -1.0136 -1.0136 -0.8899 -0.8899 3.7993 3.7993 4.2725 4.2725 4.5767 4.5767 4.6446 4.6446 5.2705 5.2705 5.3043 5.3043 5.5591 5.5591 5.8053 5.8053 6.0421 6.0421 6.2104 6.2104 6.5547 6.5547 6.8086 6.8086 6.9210 6.9210 7.2773 7.2773 7.4677 7.4677 7.6980 7.6980 7.9265 7.9265 8.1947 8.1947 8.3524 8.3524 8.5736 8.5736 8.8426 8.8426 9.0177 9.0177 9.6211 9.6211 9.8062 9.8062 11.4358 11.4358 11.8620 11.8620 11.9772 11.9772 14.0018 14.0018 k = 0.5000-1.1229-1.3952 ( 4854 PWs) bands (ev): -1.3472 -1.3472 -1.2664 -1.2664 -1.0171 -1.0171 -0.8862 -0.8862 3.8291 3.8291 4.3123 4.3123 4.5865 4.5865 4.6415 4.6415 5.2172 5.2172 5.2715 5.2715 5.5322 5.5322 5.8043 5.8043 6.0362 6.0362 6.2037 6.2037 6.5393 6.5393 6.7898 6.7898 6.8887 6.8887 7.2715 7.2715 7.4762 7.4762 7.6895 7.6895 7.9300 7.9300 8.1942 8.1942 8.3715 8.3715 8.5890 8.5890 8.8815 8.8815 9.0156 9.0156 9.5541 9.5541 9.7523 9.7523 11.4322 11.4322 11.8934 11.8934 12.0180 12.0180 13.9670 13.9670 k = 0.5000-1.1041-1.4273 ( 4860 PWs) bands (ev): -1.3323 -1.3323 -1.2499 -1.2499 -1.0210 -1.0210 -0.8829 -0.8829 3.8582 3.8582 4.3543 4.3543 4.5855 4.5855 4.6515 4.6515 5.1624 5.1624 5.2347 5.2347 5.5003 5.5003 5.8022 5.8022 6.0349 6.0349 6.2042 6.2042 6.5254 6.5254 6.7619 6.7619 6.8715 6.8715 7.2661 7.2661 7.4835 7.4835 7.6795 7.6795 7.9387 7.9387 8.1908 8.1908 8.3865 8.3865 8.6021 8.6021 8.8983 8.8983 9.0305 9.0305 9.4911 9.4911 9.7077 9.7077 11.4199 11.4199 11.9252 11.9252 12.0613 12.0613 13.9291 13.9291 k = 0.5000-1.0852-1.4594 ( 4854 PWs) bands (ev): -1.3170 -1.3170 -1.2340 -1.2340 -1.0256 -1.0256 -0.8802 -0.8802 3.8859 3.8859 4.3978 4.3978 4.5778 4.5778 4.6701 4.6701 5.1103 5.1103 5.1939 5.1939 5.4623 5.4623 5.8001 5.8001 6.0361 6.0361 6.2121 6.2121 6.5136 6.5136 6.7295 6.7295 6.8654 6.8654 7.2607 7.2607 7.4893 7.4893 7.6681 7.6681 7.9519 7.9519 8.1835 8.1835 8.3964 8.3964 8.6129 8.6129 8.8892 8.8892 9.0653 9.0653 9.4366 9.4366 9.6731 9.6731 11.4005 11.4005 11.9525 11.9525 12.1072 12.1072 13.8892 13.8892 k = 0.5000-1.0663-1.4915 ( 4858 PWs) bands (ev): -1.3014 -1.3014 -1.2189 -1.2189 -1.0307 -1.0307 -0.8781 -0.8781 3.9120 3.9120 4.4419 4.4419 4.5685 4.5685 4.6922 4.6922 5.0626 5.0626 5.1516 5.1516 5.4178 5.4178 5.7984 5.7984 6.0378 6.0378 6.2277 6.2277 6.5041 6.5041 6.6977 6.6977 6.8647 6.8647 7.2549 7.2549 7.4931 7.4931 7.6562 7.6562 7.9684 7.9684 8.1716 8.1716 8.4010 8.4010 8.6215 8.6215 8.8664 8.8664 9.1060 9.1060 9.3971 9.3971 9.6473 9.6473 11.3757 11.3757 11.9708 11.9708 12.1561 12.1561 13.8486 13.8486 k = 0.5000-1.0474-1.5236 ( 4864 PWs) bands (ev): -1.2856 -1.2856 -1.2051 -1.2051 -1.0364 -1.0364 -0.8765 -0.8765 3.9357 3.9357 4.4850 4.4850 4.5597 4.5597 4.7157 4.7157 5.0213 5.0213 5.1102 5.1102 5.3677 5.3677 5.7972 5.7972 6.0391 6.0391 6.2502 6.2502 6.4963 6.4963 6.6694 6.6694 6.8665 6.8665 7.2482 7.2482 7.4944 7.4944 7.6453 7.6453 7.9868 7.9868 8.1545 8.1545 8.4004 8.4004 8.6275 8.6275 8.8388 8.8388 9.1395 9.1395 9.3812 9.3812 9.6285 9.6285 11.3467 11.3467 11.9779 11.9779 12.2073 12.2073 13.8085 13.8085 k = 0.5000-1.0285-1.5557 ( 4860 PWs) bands (ev): -1.2699 -1.2699 -1.1928 -1.1928 -1.0428 -1.0428 -0.8753 -0.8753 3.9567 3.9567 4.5223 4.5223 4.5542 4.5542 4.7395 4.7395 4.9892 4.9892 5.0714 5.0714 5.3138 5.3138 5.7959 5.7959 6.0403 6.0403 6.2783 6.2783 6.4894 6.4894 6.6457 6.6457 6.8693 6.8693 7.2400 7.2400 7.4926 7.4926 7.6367 7.6367 8.0053 8.0053 8.1323 8.1323 8.3958 8.3958 8.6307 8.6307 8.8106 8.8106 9.1594 9.1594 9.3949 9.3949 9.6147 9.6147 11.3146 11.3146 11.9727 11.9727 12.2596 12.2596 13.7699 13.7699 k = 0.5000-1.0096-1.5878 ( 4850 PWs) bands (ev): -1.2545 -1.2545 -1.1824 -1.1824 -1.0498 -1.0498 -0.8743 -0.8743 3.9746 3.9746 4.5345 4.5345 4.5686 4.5686 4.7626 4.7626 4.9692 4.9692 5.0364 5.0364 5.2591 5.2591 5.7938 5.7938 6.0422 6.0422 6.3100 6.3100 6.4823 6.4823 6.6270 6.6270 6.8724 6.8724 7.2296 7.2296 7.4874 7.4874 7.6315 7.6315 8.0219 8.0219 8.1065 8.1065 8.3890 8.3890 8.6308 8.6308 8.7841 8.7841 9.1699 9.1699 9.4337 9.4337 9.6037 9.6037 11.2803 11.2803 11.9553 11.9553 12.3120 12.3120 13.7336 13.7336 k = 0.5000-0.9908-1.6199 ( 4842 PWs) bands (ev): -1.2400 -1.2400 -1.1742 -1.1742 -1.0574 -1.0574 -0.8734 -0.8734 3.9890 3.9890 4.5292 4.5292 4.5915 4.5915 4.7846 4.7846 4.9628 4.9628 5.0059 5.0059 5.2083 5.2083 5.7907 5.7907 6.0451 6.0451 6.3435 6.3435 6.4743 6.4743 6.6132 6.6132 6.8756 6.8756 7.2165 7.2165 7.4789 7.4789 7.6299 7.6299 8.0305 8.0305 8.0836 8.0836 8.3819 8.3819 8.6278 8.6278 8.7609 8.7609 9.1801 9.1801 9.4871 9.4871 9.5940 9.5940 11.2448 11.2448 11.9264 11.9264 12.3634 12.3634 13.7003 13.7003 k = 0.5000-0.9719-1.6520 ( 4838 PWs) bands (ev): -1.2271 -1.2271 -1.1684 -1.1684 -1.0653 -1.0653 -0.8722 -0.8722 3.9999 3.9999 4.5222 4.5222 4.6055 4.6055 4.8044 4.8044 4.9641 4.9641 4.9828 4.9828 5.1696 5.1696 5.7864 5.7864 6.0490 6.0490 6.3763 6.3763 6.4652 6.4652 6.6042 6.6042 6.8788 6.8788 7.2005 7.2005 7.4677 7.4677 7.6319 7.6319 8.0174 8.0174 8.0788 8.0788 8.3760 8.3760 8.6221 8.6221 8.7422 8.7422 9.1948 9.1948 9.5455 9.5455 9.5868 9.5868 11.2091 11.2091 11.8873 11.8873 12.4132 12.4132 13.6704 13.6704 k = 0.5000-0.9530-1.6841 ( 4830 PWs) bands (ev): -1.2174 -1.2174 -1.1645 -1.1645 -1.0730 -1.0730 -0.8707 -0.8707 4.0072 4.0072 4.5147 4.5147 4.6107 4.6107 4.8178 4.8178 4.9528 4.9528 4.9781 4.9781 5.1563 5.1563 5.7814 5.7814 6.0536 6.0536 6.4053 6.4053 6.4557 6.4557 6.5995 6.5995 6.8820 6.8820 7.1818 7.1818 7.4543 7.4543 7.6368 7.6368 7.9897 7.9897 8.0876 8.0876 8.3720 8.3720 8.6146 8.6146 8.7286 8.7286 9.2151 9.2151 9.5644 9.5644 9.6216 9.6216 11.1741 11.1741 11.8397 11.8397 12.4611 12.4611 13.6443 13.6443 k = 0.5000-0.9341-1.7162 ( 4826 PWs) bands (ev): -1.2127 -1.2127 -1.1621 -1.1621 -1.0795 -1.0795 -0.8687 -0.8687 4.0114 4.0114 4.5066 4.5066 4.6113 4.6113 4.8149 4.8149 4.9426 4.9426 4.9764 4.9764 5.1770 5.1770 5.7760 5.7760 6.0584 6.0584 6.4239 6.4239 6.4496 6.4496 6.5994 6.5994 6.8851 6.8851 7.1612 7.1612 7.4390 7.4390 7.6446 7.6446 7.9618 7.9618 8.0988 8.0988 8.3701 8.3701 8.6069 8.6069 8.7196 8.7196 9.2401 9.2401 9.5510 9.5510 9.6885 9.6885 11.1407 11.1407 11.7856 11.7856 12.5066 12.5066 13.6222 13.6222 k = 0.5000-0.9152-1.7483 ( 4826 PWs) bands (ev): -1.2152 -1.2152 -1.1615 -1.1615 -1.0830 -1.0830 -0.8661 -0.8661 4.0131 4.0131 4.4976 4.4976 4.6111 4.6111 4.7890 4.7890 4.9448 4.9448 4.9769 4.9769 5.2243 5.2243 5.7707 5.7707 6.0625 6.0625 6.4230 6.4230 6.4526 6.4526 6.6047 6.6047 6.8883 6.8883 7.1398 7.1398 7.4216 7.4216 7.6550 7.6550 7.9388 7.9388 8.1102 8.1102 8.3697 8.3697 8.6009 8.6009 8.7144 8.7144 9.2681 9.2681 9.5326 9.5326 9.7587 9.7587 11.1099 11.1099 11.7273 11.7273 12.5498 12.5498 13.6039 13.6039 k = 0.8270-0.8602-1.6494 ( 4826 PWs) bands (ev): -1.2152 -1.2152 -1.1615 -1.1615 -1.0830 -1.0830 -0.8661 -0.8661 4.0131 4.0131 4.4976 4.4976 4.6111 4.6111 4.7890 4.7890 4.9448 4.9448 4.9769 4.9769 5.2243 5.2243 5.7707 5.7707 6.0625 6.0625 6.4230 6.4230 6.4526 6.4526 6.6047 6.6047 6.8883 6.8883 7.1398 7.1398 7.4216 7.4216 7.6550 7.6550 7.9388 7.9388 8.1102 8.1102 8.3697 8.3697 8.6009 8.6009 8.7144 8.7144 9.2681 9.2681 9.5326 9.5326 9.7587 9.7587 11.1099 11.1099 11.7273 11.7273 12.5498 12.5498 13.6039 13.6039 k = 0.8207-0.8420-1.6167 ( 4846 PWs) bands (ev): -1.2253 -1.2253 -1.1646 -1.1646 -1.0814 -1.0814 -0.8632 -0.8632 4.0130 4.0130 4.4871 4.4871 4.6127 4.6127 4.7475 4.7475 4.9506 4.9506 4.9889 4.9889 5.2886 5.2886 5.7660 5.7660 6.0655 6.0655 6.4134 6.4134 6.4518 6.4518 6.6149 6.6149 6.8916 6.8916 7.1192 7.1192 7.4022 7.4022 7.6690 7.6690 7.9228 7.9228 8.1221 8.1221 8.3699 8.3699 8.5980 8.5980 8.7118 8.7118 9.2982 9.2982 9.5096 9.5096 9.8317 9.8317 11.0820 11.0820 11.6658 11.6658 12.5911 12.5911 13.5894 13.5894 k = 0.8144-0.8239-1.5840 ( 4848 PWs) bands (ev): -1.2424 -1.2424 -1.1727 -1.1727 -1.0742 -1.0742 -0.8600 -0.8600 4.0122 4.0122 4.4749 4.4749 4.6174 4.6174 4.7015 4.7015 4.9561 4.9561 5.0108 5.0108 5.3626 5.3626 5.7623 5.7623 6.0665 6.0665 6.4020 6.4020 6.4414 6.4414 6.6260 6.6260 6.8953 6.8953 7.1015 7.1015 7.3819 7.3819 7.6869 7.6869 7.9149 7.9149 8.1346 8.1346 8.3698 8.3698 8.5993 8.5993 8.7112 8.7112 9.3281 9.3281 9.4830 9.4830 9.9055 9.9055 11.0583 11.0583 11.6046 11.6046 12.6298 12.6298 13.5789 13.5789 k = 0.8081-0.8057-1.5513 ( 4854 PWs) bands (ev): -1.2655 -1.2655 -1.1852 -1.1852 -1.0628 -1.0628 -0.8571 -0.8571 4.0116 4.0116 4.4602 4.4602 4.6238 4.6238 4.6587 4.6587 4.9633 4.9633 5.0369 5.0369 5.4425 5.4425 5.7601 5.7601 6.0652 6.0652 6.3884 6.3884 6.4247 6.4247 6.6331 6.6331 6.8999 6.8999 7.0881 7.0881 7.3627 7.3627 7.7094 7.7094 7.9147 7.9147 8.1483 8.1483 8.3689 8.3689 8.6052 8.6052 8.7117 8.7117 9.3551 9.3551 9.4541 9.4541 9.9800 9.9800 11.0395 11.0395 11.5458 11.5458 12.6660 12.6660 13.5722 13.5722 k = 0.8018-0.7876-1.5187 ( 4852 PWs) bands (ev): -1.2938 -1.2938 -1.2011 -1.2011 -1.0489 -1.0489 -0.8547 -0.8547 4.0124 4.0124 4.4421 4.4421 4.6084 4.6084 4.6465 4.6465 4.9727 4.9727 5.0642 5.0642 5.5261 5.5261 5.7596 5.7596 6.0612 6.0612 6.3686 6.3686 6.4088 6.4088 6.6327 6.6327 6.9054 6.9054 7.0791 7.0791 7.3474 7.3474 7.7370 7.7370 7.9207 7.9207 8.1632 8.1632 8.3670 8.3670 8.6155 8.6155 8.7129 8.7129 9.3719 9.3719 9.4298 9.4298 10.0549 10.0549 11.0258 11.0258 11.4913 11.4913 12.6996 12.6996 13.5692 13.5692 k = 0.7955-0.7694-1.4860 ( 4854 PWs) bands (ev): -1.3268 -1.3268 -1.2195 -1.2195 -1.0337 -1.0337 -0.8530 -0.8530 4.0153 4.0153 4.4201 4.4201 4.5759 4.5759 4.6623 4.6623 4.9838 4.9838 5.0917 5.0917 5.6111 5.6111 5.7613 5.7613 6.0546 6.0546 6.3393 6.3393 6.3987 6.3987 6.6240 6.6240 6.9107 6.9107 7.0739 7.0739 7.3394 7.3394 7.7696 7.7696 7.9314 7.9314 8.1793 8.1793 8.3648 8.3648 8.6296 8.6296 8.7144 8.7144 9.3584 9.3584 9.4300 9.4300 10.1300 10.1300 11.0176 11.0176 11.4431 11.4431 12.7307 12.7307 13.5700 13.5700 k = 0.7893-0.7512-1.4533 ( 4858 PWs) bands (ev): -1.3639 -1.3639 -1.2402 -1.2402 -1.0179 -1.0179 -0.8525 -0.8525 4.0211 4.0211 4.3945 4.3945 4.5481 4.5481 4.6845 4.6845 4.9961 4.9961 5.1186 5.1186 5.6938 5.6938 5.7668 5.7668 6.0463 6.0463 6.3035 6.3035 6.3938 6.3938 6.6084 6.6084 6.9136 6.9136 7.0717 7.0717 7.3415 7.3415 7.8065 7.8065 7.9453 7.9453 8.1967 8.1967 8.3627 8.3627 8.6468 8.6468 8.7158 8.7158 9.3241 9.3241 9.4456 9.4456 10.2053 10.2053 11.0149 11.0149 11.4027 11.4027 12.7592 12.7592 13.5743 13.5743 k = 0.7830-0.7331-1.4207 ( 4862 PWs) bands (ev): -1.4048 -1.4048 -1.2629 -1.2629 -1.0018 -1.0018 -0.8534 -0.8534 4.0305 4.0305 4.3668 4.3668 4.5254 4.5254 4.7115 4.7115 5.0088 5.0088 5.1446 5.1446 5.7516 5.7516 5.7948 5.7948 6.0389 6.0389 6.2640 6.2640 6.3925 6.3925 6.5885 6.5885 6.9114 6.9114 7.0728 7.0728 7.3550 7.3550 7.8465 7.8465 7.9611 7.9611 8.2152 8.2152 8.3614 8.3614 8.6664 8.6664 8.7173 8.7173 9.2849 9.2849 9.4616 9.4616 10.2805 10.2805 11.0174 11.0174 11.3713 11.3713 12.7851 12.7851 13.5822 13.5822 k = 0.7767-0.7149-1.3880 ( 4858 PWs) bands (ev): -1.4491 -1.4491 -1.2875 -1.2875 -0.9858 -0.9858 -0.8557 -0.8557 4.0438 4.0438 4.3391 4.3391 4.5062 4.5062 4.7429 4.7429 5.0211 5.0211 5.1691 5.1691 5.7648 5.7648 5.8563 5.8563 6.0399 6.0399 6.2230 6.2230 6.3942 6.3942 6.5671 6.5671 6.9025 6.9025 7.0782 7.0782 7.3791 7.3791 7.8879 7.8879 7.9779 7.9779 8.2348 8.2348 8.3615 8.3615 8.6871 8.6871 8.7195 8.7195 9.2453 9.2453 9.4750 9.4750 10.3557 10.3557 11.0251 11.0251 11.3499 11.3499 12.8084 12.8084 13.5938 13.5938 k = 0.7704-0.6968-1.3553 ( 4864 PWs) bands (ev): -1.4963 -1.4963 -1.3139 -1.3139 -0.9700 -0.9700 -0.8597 -0.8597 4.0613 4.0613 4.3131 4.3131 4.4889 4.4889 4.7784 4.7784 5.0326 5.0326 5.1920 5.1920 5.7715 5.7715 5.8956 5.8956 6.0656 6.0656 6.1819 6.1819 6.3983 6.3983 6.5474 6.5474 6.8870 6.8870 7.0885 7.0885 7.4117 7.4117 7.9287 7.9287 7.9947 7.9947 8.2558 8.2558 8.3635 8.3635 8.7050 8.7050 8.7267 8.7267 9.2071 9.2071 9.4857 9.4857 10.4304 10.4304 11.0375 11.0375 11.3390 11.3390 12.8290 12.8290 13.6091 13.6091 k = 0.7641-0.6786-1.3227 ( 4862 PWs) bands (ev): -1.5462 -1.5462 -1.3421 -1.3421 -0.9545 -0.9545 -0.8655 -0.8655 4.0833 4.0833 4.2901 4.2901 4.4724 4.4724 4.8176 4.8176 5.0428 5.0428 5.2129 5.2129 5.7771 5.7771 5.9006 5.9006 6.1190 6.1190 6.1436 6.1436 6.4038 6.4038 6.5330 6.5330 6.8667 6.8667 7.1034 7.1034 7.4503 7.4503 7.9668 7.9668 8.0109 8.0109 8.2775 8.2775 8.3688 8.3688 8.7127 8.7127 8.7464 8.7464 9.1721 9.1721 9.4943 9.4943 10.5047 10.5047 11.0544 11.0544 11.3388 11.3388 12.8468 12.8468 13.6281 13.6281 k = 0.7578-0.6604-1.2900 ( 4862 PWs) bands (ev): -1.5985 -1.5985 -1.3719 -1.3719 -0.9394 -0.9394 -0.8730 -0.8730 4.1098 4.1098 4.2709 4.2709 4.4560 4.4560 4.8599 4.8599 5.0513 5.0513 5.2314 5.2314 5.7813 5.7813 5.8875 5.8875 6.1022 6.1022 6.1884 6.1884 6.4087 6.4087 6.5289 6.5289 6.8438 6.8438 7.1219 7.1219 7.4924 7.4924 8.0009 8.0009 8.0253 8.0253 8.2972 8.2972 8.3808 8.3808 8.7167 8.7167 8.7729 8.7729 9.1417 9.1417 9.5017 9.5017 10.5782 10.5782 11.0754 11.0754 11.3489 11.3489 12.8616 12.8616 13.6509 13.6509 k = 0.7515-0.6423-1.2573 ( 4864 PWs) bands (ev): -1.6529 -1.6529 -1.4033 -1.4033 -0.9250 -0.9250 -0.8823 -0.8823 4.1406 4.1406 4.2562 4.2562 4.4391 4.4391 4.9045 4.9045 5.0580 5.0580 5.2473 5.2473 5.7835 5.7835 5.8684 5.8684 6.0670 6.0670 6.2487 6.2487 6.4136 6.4136 6.5399 6.5399 6.8202 6.8202 7.1433 7.1433 7.5360 7.5360 8.0285 8.0285 8.0389 8.0389 8.3097 8.3097 8.4048 8.4048 8.7217 8.7217 8.8022 8.8022 9.1173 9.1173 9.5094 9.5094 10.6508 10.6508 11.1003 11.1003 11.3687 11.3687 12.8735 12.8735 13.6777 13.6777 k = 0.7452-0.6241-1.2246 ( 4864 PWs) bands (ev): -1.7090 -1.7090 -1.4363 -1.4363 -0.9119 -0.9119 -0.8926 -0.8926 4.1755 4.1755 4.2462 4.2462 4.4217 4.4217 4.9499 4.9499 5.0633 5.0633 5.2606 5.2606 5.7822 5.7822 5.8493 5.8493 6.0351 6.0351 6.2901 6.2901 6.4257 6.4257 6.5670 6.5670 6.7976 6.7976 7.1667 7.1667 7.5791 7.5791 8.0364 8.0364 8.0651 8.0651 8.3139 8.3139 8.4415 8.4415 8.7293 8.7293 8.8334 8.8334 9.1002 9.1002 9.5184 9.5184 10.7220 10.7220 11.1289 11.1289 11.3973 11.3973 12.8823 12.8823 13.7085 13.7085 k = 0.7389-0.6060-1.1920 ( 4872 PWs) bands (ev): -1.7666 -1.7666 -1.4706 -1.4706 -0.9098 -0.9098 -0.8943 -0.8943 4.2134 4.2134 4.2420 4.2420 4.4036 4.4036 4.9931 4.9931 5.0688 5.0688 5.2712 5.2712 5.7756 5.7756 5.8344 5.8344 6.0070 6.0070 6.3043 6.3043 6.4532 6.4532 6.6068 6.6068 6.7780 6.7780 7.1916 7.1916 7.6199 7.6199 8.0340 8.0340 8.0963 8.0963 8.3130 8.3130 8.4861 8.4861 8.7401 8.7401 8.8658 8.8658 9.0923 9.0923 9.5301 9.5301 10.7918 10.7918 11.1609 11.1609 11.4337 11.4337 12.8880 12.8880 13.7431 13.7431 k = 0.7327-0.5878-1.1593 ( 4868 PWs) bands (ev): -1.8255 -1.8255 -1.5063 -1.5063 -0.9231 -0.9231 -0.8830 -0.8830 4.2363 4.2363 4.2611 4.2611 4.3850 4.3850 5.0251 5.0251 5.0818 5.0818 5.2795 5.2795 5.7637 5.7637 5.8257 5.8257 5.9830 5.9830 6.2998 6.2998 6.4902 6.4902 6.6513 6.6513 6.7656 6.7656 7.2172 7.2172 7.6566 7.6566 8.0255 8.0255 8.1305 8.1305 8.3108 8.3108 8.5333 8.5333 8.7548 8.7548 8.8987 8.8987 9.0955 9.0955 9.5454 9.5454 10.8600 10.8600 11.1962 11.1962 11.4766 11.4766 12.8907 12.8907 13.7816 13.7816 k = 0.7264-0.5696-1.1266 ( 4878 PWs) bands (ev): -1.8853 -1.8853 -1.5432 -1.5432 -0.9392 -0.9392 -0.8711 -0.8711 4.2420 4.2420 4.3041 4.3041 4.3670 4.3670 5.0350 5.0350 5.1111 5.1111 5.2863 5.2863 5.7496 5.7496 5.8215 5.8215 5.9630 5.9630 6.2875 6.2875 6.5294 6.5294 6.6830 6.6830 6.7731 6.7731 7.2429 7.2429 7.6876 7.6876 8.0135 8.0135 8.1679 8.1679 8.3101 8.3101 8.5783 8.5783 8.7746 8.7746 8.9313 8.9313 9.1118 9.1118 9.5654 9.5654 10.9263 10.9263 11.2344 11.2344 11.5248 11.5248 12.8904 12.8904 13.8236 13.8236 k = 0.7201-0.5515-1.0940 ( 4876 PWs) bands (ev): -1.9458 -1.9458 -1.5812 -1.5812 -0.9570 -0.9570 -0.8597 -0.8597 4.2509 4.2509 4.3351 4.3351 4.3649 4.3649 5.0310 5.0310 5.1460 5.1460 5.2931 5.2931 5.7370 5.7370 5.8196 5.8196 5.9472 5.9472 6.2727 6.2727 6.5680 6.5680 6.6881 6.6881 6.8106 6.8106 7.2681 7.2681 7.7115 7.7115 8.0005 8.0005 8.2070 8.2070 8.3145 8.3145 8.6172 8.6172 8.8009 8.8009 8.9634 8.9634 9.1419 9.1419 9.5908 9.5908 10.9908 10.9908 11.2751 11.2751 11.5770 11.5770 12.8870 12.8870 13.8681 13.8681 k = 0.7138-0.5333-1.0613 ( 4874 PWs) bands (ev): -2.0068 -2.0068 -1.6202 -1.6202 -0.9763 -0.9763 -0.8490 -0.8490 4.2636 4.2636 4.3224 4.3224 4.4089 4.4089 5.0206 5.0206 5.1762 5.1762 5.3015 5.3015 5.7280 5.7280 5.8185 5.8185 5.9357 5.9357 6.2582 6.2582 6.6035 6.6035 6.6829 6.6829 6.8605 6.8605 7.2922 7.2922 7.7276 7.7276 7.9889 7.9889 8.2442 8.2442 8.3291 8.3291 8.6477 8.6477 8.8343 8.8343 8.9957 8.9957 9.1855 9.1855 9.6223 9.6223 11.0534 11.0534 11.3179 11.3179 11.6317 11.6317 12.8807 12.8807 13.9068 13.9068 k = 0.7075-0.5152-1.0286 ( 4872 PWs) bands (ev): -2.0680 -2.0680 -1.6599 -1.6599 -0.9968 -0.9968 -0.8389 -0.8389 4.2772 4.2772 4.3075 4.3075 4.4595 4.4595 5.0060 5.0060 5.1980 5.1980 5.3128 5.3128 5.7228 5.7228 5.8177 5.8177 5.9292 5.9292 6.2457 6.2457 6.6294 6.6294 6.6830 6.6830 6.9112 6.9112 7.3146 7.3146 7.7372 7.7372 7.9799 7.9799 8.2749 8.2749 8.3587 8.3587 8.6704 8.6704 8.8730 8.8730 9.0298 9.0298 9.2409 9.2409 9.6608 9.6608 11.1143 11.1143 11.3624 11.3624 11.6875 11.6875 12.8717 12.8717 13.8730 13.8730 k = 0.7012-0.4970-0.9960 ( 4868 PWs) bands (ev): -2.1292 -2.1292 -1.7004 -1.7004 -1.0184 -1.0184 -0.8297 -0.8297 4.2743 4.2743 4.3129 4.3129 4.5102 4.5102 4.9881 4.9881 5.2115 5.2115 5.3266 5.3266 5.7200 5.7200 5.8164 5.8164 5.9288 5.9288 6.2371 6.2371 6.6346 6.6346 6.7009 6.7009 6.9587 6.9587 7.3351 7.3351 7.7427 7.7427 7.9743 7.9743 8.3013 8.3013 8.4006 8.4006 8.6879 8.6879 8.9143 8.9143 9.0670 9.0670 9.3063 9.3063 9.7069 9.7069 11.1734 11.1734 11.4081 11.4081 11.7426 11.7426 12.8599 12.8599 13.8022 13.8022 k = 0.6949-0.4788-0.9633 ( 4866 PWs) bands (ev): -2.1902 -2.1902 -1.7413 -1.7413 -1.0410 -1.0410 -0.8212 -0.8212 4.2576 4.2576 4.3365 4.3365 4.5589 4.5589 4.9680 4.9680 5.2189 5.2189 5.3415 5.3415 5.7170 5.7170 5.8139 5.8139 5.9356 5.9356 6.2339 6.2339 6.6268 6.6268 6.7283 6.7283 7.0013 7.0013 7.3532 7.3532 7.7478 7.7478 7.9726 7.9726 8.3284 8.3284 8.4478 8.4478 8.7030 8.7030 8.9553 8.9553 9.1078 9.1078 9.3805 9.3805 9.7613 9.7613 11.2307 11.2307 11.4548 11.4548 11.7949 11.7949 12.8455 12.8455 13.7291 13.7291 k = 0.6886-0.4607-0.9306 ( 4866 PWs) bands (ev): -2.2509 -2.2509 -1.7827 -1.7827 -1.0644 -1.0644 -0.8134 -0.8134 4.2396 4.2396 4.3661 4.3661 4.6033 4.6033 4.9468 4.9468 5.2228 5.2228 5.3572 5.3572 5.7116 5.7116 5.8095 5.8095 5.9490 5.9490 6.2381 6.2381 6.6146 6.6146 6.7558 6.7558 7.0384 7.0384 7.3688 7.3688 7.7561 7.7561 7.9760 7.9760 8.3580 8.3580 8.4956 8.4956 8.7178 8.7178 8.9943 8.9943 9.1522 9.1522 9.4626 9.4626 9.8243 9.8243 11.2861 11.2861 11.5019 11.5019 11.8424 11.8424 12.8287 12.8287 13.6583 13.6583 k = 0.6824-0.4425-0.8979 ( 4874 PWs) bands (ev): -2.3110 -2.3110 -1.8243 -1.8243 -1.0885 -1.0885 -0.8064 -0.8064 4.2220 4.2220 4.3996 4.3996 4.6409 4.6409 4.9260 4.9260 5.2246 5.2246 5.3748 5.3748 5.7027 5.7027 5.8028 5.8028 5.9670 5.9670 6.2508 6.2508 6.5998 6.5998 6.7805 6.7805 7.0698 7.0698 7.3813 7.3813 7.7705 7.7705 7.9863 7.9863 8.3897 8.3897 8.5412 8.5412 8.7342 8.7342 9.0307 9.0307 9.1996 9.1996 9.5525 9.5525 9.8962 9.8962 11.3394 11.3394 11.5493 11.5493 11.8825 11.8825 12.8095 12.8095 13.5930 13.5930 k = 0.6761-0.4244-0.8653 ( 4864 PWs) bands (ev): -2.3704 -2.3704 -1.8659 -1.8659 -1.1131 -1.1131 -0.8002 -0.8002 4.2056 4.2056 4.4366 4.4366 4.6687 4.6687 4.9075 4.9075 5.2247 5.2247 5.3961 5.3961 5.6906 5.6906 5.7940 5.7940 5.9864 5.9864 6.2726 6.2726 6.5826 6.5826 6.8018 6.8018 7.0967 7.0967 7.3898 7.3898 7.7930 7.7930 8.0050 8.0050 8.4225 8.4225 8.5830 8.5830 8.7538 8.7538 9.0640 9.0640 9.2487 9.2487 9.6500 9.6500 9.9768 9.9768 11.3906 11.3906 11.5968 11.5968 11.9126 11.9126 12.7882 12.7882 13.5358 13.5358 k = 0.6698-0.4062-0.8326 ( 4870 PWs) bands (ev): -2.4288 -2.4288 -1.9075 -1.9075 -1.1380 -1.1380 -0.7947 -0.7947 4.1906 4.1906 4.4764 4.4764 4.6844 4.6844 4.8930 4.8930 5.2233 5.2233 5.4219 5.4219 5.6764 5.6764 5.7837 5.7837 6.0051 6.0051 6.3023 6.3023 6.5630 6.5630 6.8194 6.8194 7.1210 7.1210 7.3936 7.3936 7.8247 7.8247 8.0328 8.0328 8.4548 8.4548 8.6198 8.6198 8.7783 8.7783 9.0946 9.0946 9.2984 9.2984 9.7550 9.7550 10.0655 10.0655 11.4393 11.4393 11.6438 11.6438 11.9304 11.9304 12.7647 12.7647 13.4893 13.4893 k = 0.6635-0.3880-0.7999 ( 4870 PWs) bands (ev): -2.4863 -2.4863 -1.9489 -1.9489 -1.1632 -1.1632 -0.7899 -0.7899 4.1773 4.1773 4.5185 4.5185 4.6871 4.6871 4.8835 4.8835 5.2202 5.2202 5.4512 5.4512 5.6622 5.6622 5.7729 5.7729 6.0219 6.0219 6.3372 6.3372 6.5414 6.5414 6.8336 6.8336 7.1451 7.1451 7.3926 7.3926 7.8656 7.8656 8.0694 8.0694 8.4858 8.4858 8.6513 8.6513 8.8091 8.8091 9.1226 9.1226 9.3476 9.3476 9.8672 9.8672 10.1617 10.1617 11.4853 11.4853 11.6899 11.6899 11.9341 11.9341 12.7391 12.7391 13.4557 13.4557 k = 0.6572-0.3699-0.7673 ( 4878 PWs) bands (ev): -2.5425 -2.5425 -1.9899 -1.9899 -1.1885 -1.1885 -0.7858 -0.7858 4.1660 4.1660 4.5621 4.5621 4.6788 4.6788 4.8777 4.8777 5.2157 5.2157 5.4793 5.4793 5.6515 5.6515 5.7636 5.7636 6.0371 6.0371 6.3730 6.3730 6.5192 6.5192 6.8454 6.8454 7.1710 7.1710 7.3881 7.3881 7.9143 7.9143 8.1139 8.1139 8.5150 8.5150 8.6780 8.6780 8.8470 8.8470 9.1483 9.1483 9.3959 9.3959 9.9858 9.9858 10.2647 10.2647 11.5285 11.5285 11.7339 11.7339 11.9235 11.9235 12.7112 12.7112 13.4362 13.4362 k = 0.6509-0.3517-0.7346 ( 4874 PWs) bands (ev): -2.5974 -2.5974 -2.0304 -2.0304 -1.2137 -1.2137 -0.7825 -0.7825 4.1566 4.1566 4.6050 4.6050 4.6647 4.6647 4.8735 4.8735 5.2099 5.2099 5.4979 5.4979 5.6482 5.6482 5.7599 5.7599 6.0511 6.0511 6.4026 6.4026 6.5011 6.5011 6.8558 6.8558 7.1992 7.1992 7.3826 7.3826 7.9684 7.9684 8.1647 8.1647 8.5424 8.5424 8.7011 8.7011 8.8920 8.8920 9.1720 9.1720 9.4428 9.4428 10.1099 10.1099 10.3736 10.3736 11.5686 11.5686 11.7725 11.7725 11.9020 11.9020 12.6809 12.6809 13.4306 13.4306 k = 0.6446-0.3336-0.7019 ( 4876 PWs) bands (ev): -2.6509 -2.6509 -2.0703 -2.0703 -1.2388 -1.2388 -0.7797 -0.7797 4.1495 4.1495 4.6268 4.6268 4.6675 4.6675 4.8694 4.8694 5.2031 5.2031 5.4998 5.4998 5.6504 5.6504 5.7694 5.7694 6.0644 6.0644 6.4114 6.4114 6.5001 6.5001 6.8661 6.8661 7.2286 7.2286 7.3798 7.3798 8.0255 8.0255 8.2200 8.2200 8.5687 8.5687 8.7221 8.7221 8.9438 8.9438 9.1940 9.1940 9.4884 9.4884 10.2384 10.2384 10.4877 10.4877 11.6048 11.6048 11.7919 11.7919 11.8848 11.8848 12.6482 12.6482 13.4377 13.4377 k = 0.6383-0.3154-0.6693 ( 4874 PWs) bands (ev): -2.7028 -2.7028 -2.1094 -2.1094 -1.2636 -1.2636 -0.7776 -0.7776 4.1447 4.1447 4.6090 4.6090 4.7069 4.7069 4.8649 4.8649 5.1956 5.1956 5.4876 5.4876 5.6482 5.6482 5.7979 5.7979 6.0778 6.0778 6.3952 6.3952 6.5195 6.5195 6.8775 6.8775 7.2554 7.2554 7.3854 7.3854 8.0831 8.0831 8.2773 8.2773 8.5953 8.5953 8.7424 8.7424 9.0022 9.0022 9.2148 9.2148 9.5325 9.5325 10.3698 10.3698 10.6060 10.6060 11.6345 11.6345 11.7695 11.7695 11.8991 11.8991 12.6136 12.6136 13.4551 13.4551 k = 0.6321-0.2972-0.6366 ( 4872 PWs) bands (ev): -2.7531 -2.7531 -2.1476 -2.1476 -1.2880 -1.2880 -0.7761 -0.7761 4.1424 4.1424 4.5846 4.5846 4.7493 4.7493 4.8613 4.8613 5.1873 5.1873 5.4674 5.4674 5.6386 5.6386 5.8398 5.8398 6.0922 6.0922 6.3690 6.3690 6.5446 6.5446 6.8908 6.8908 7.2745 7.2745 7.4056 7.4056 8.1393 8.1393 8.3332 8.3332 8.6239 8.6239 8.7638 8.7638 9.0663 9.0663 9.2355 9.2355 9.5754 9.5754 10.5029 10.5029 10.7276 10.7276 11.6437 11.6437 11.7355 11.7355 11.9309 11.9309 12.5775 12.5775 13.4799 13.4799 k = 0.6258-0.2791-0.6039 ( 4872 PWs) bands (ev): -2.8016 -2.8016 -2.1848 -2.1848 -1.3119 -1.3119 -0.7751 -0.7751 4.1424 4.1424 4.5591 4.5591 4.7843 4.7843 4.8636 4.8636 5.1785 5.1785 5.4433 5.4433 5.6245 5.6245 5.8850 5.8850 6.1088 6.1088 6.3414 6.3414 6.5683 6.5683 6.9063 6.9063 7.2851 7.2851 7.4417 7.4417 8.1924 8.1924 8.3838 8.3838 8.6559 8.6559 8.7892 8.7892 9.1343 9.1343 9.2584 9.2584 9.6172 9.6172 10.6361 10.6361 10.8514 10.8514 11.6026 11.6026 11.7375 11.7375 11.9648 11.9648 12.5410 12.5410 13.5092 13.5092 k = 0.6195-0.2609-0.5712 ( 4872 PWs) bands (ev): -2.8482 -2.8482 -2.2209 -2.2209 -1.3352 -1.3352 -0.7746 -0.7746 4.1450 4.1450 4.5336 4.5336 4.8006 4.8006 4.8822 4.8822 5.1691 5.1691 5.4172 5.4172 5.6084 5.6084 5.9256 5.9256 6.1283 6.1283 6.3169 6.3169 6.5893 6.5893 6.9238 6.9238 7.2926 7.2926 7.4889 7.4889 8.2417 8.2417 8.4253 8.4253 8.6897 8.6897 8.8230 8.8230 9.1988 9.1988 9.2909 9.2909 9.6582 9.6582 10.7675 10.7675 10.9756 10.9756 11.5335 11.5335 11.7605 11.7605 11.9965 11.9965 12.5055 12.5055 13.5403 13.5403 k = 0.6132-0.2428-0.5386 ( 4874 PWs) bands (ev): -2.8929 -2.8929 -2.2557 -2.2557 -1.3578 -1.3578 -0.7746 -0.7746 4.1501 4.1501 4.5087 4.5087 4.7995 4.7995 4.9153 4.9153 5.1590 5.1590 5.3904 5.3904 5.5920 5.5920 5.9563 5.9563 6.1486 6.1486 6.3010 6.3010 6.6075 6.6075 6.9427 6.9427 7.3015 7.3015 7.5426 7.5426 8.2865 8.2865 8.4564 8.4564 8.7209 8.7209 8.8703 8.8703 9.2451 9.2451 9.3481 9.3481 9.6989 9.6989 10.8946 10.8946 11.0972 11.0972 11.4592 11.4592 11.7877 11.7877 12.0242 12.0242 12.4731 12.4731 13.5709 13.5709 k = 0.6069-0.2246-0.5059 ( 4876 PWs) bands (ev): -2.9356 -2.9356 -2.2892 -2.2892 -1.3796 -1.3796 -0.7750 -0.7750 4.1576 4.1576 4.4847 4.4847 4.7912 4.7912 4.9517 4.9517 5.1481 5.1481 5.3633 5.3633 5.5762 5.5762 5.9756 5.9756 6.1616 6.1616 6.3023 6.3023 6.6236 6.6236 6.9622 6.9622 7.3145 7.3145 7.6000 7.6000 8.3268 8.3268 8.4782 8.4782 8.7465 8.7465 8.9314 8.9314 9.2747 9.2747 9.4286 9.4286 9.7400 9.7400 11.0121 11.0121 11.2064 11.2064 11.3966 11.3966 11.8159 11.8159 12.0467 12.0467 12.4466 12.4466 13.5992 13.5992 k = 0.6006-0.2064-0.4732 ( 4882 PWs) bands (ev): -2.9762 -2.9762 -2.3213 -2.3213 -1.4006 -1.4006 -0.7757 -0.7757 4.1677 4.1677 4.4618 4.4618 4.7803 4.7803 4.9864 4.9864 5.1362 5.1362 5.3364 5.3364 5.5619 5.5619 5.9846 5.9846 6.1616 6.1616 6.3247 6.3247 6.6384 6.6384 6.9818 6.9818 7.3331 7.3331 7.6592 7.6592 8.3625 8.3625 8.4932 8.4932 8.7674 8.7674 9.0001 9.0001 9.3010 9.3010 9.5195 9.5195 9.7826 9.7826 11.1032 11.1032 11.2606 11.2606 11.4031 11.4031 11.8449 11.8449 12.0634 12.0634 12.4298 12.4298 13.6239 13.6239 k = 0.5943-0.1883-0.4406 ( 4878 PWs) bands (ev): -3.0147 -3.0147 -2.3519 -2.3519 -1.4206 -1.4206 -0.7767 -0.7767 4.1801 4.1801 4.4401 4.4401 4.7682 4.7682 5.0172 5.0172 5.1229 5.1229 5.3100 5.3100 5.5498 5.5498 5.9856 5.9856 6.1538 6.1538 6.3604 6.3604 6.6526 6.6526 7.0010 7.0010 7.3578 7.3578 7.7190 7.7190 8.3934 8.3934 8.5038 8.5038 8.7860 8.7860 9.0678 9.0678 9.3323 9.3323 9.6141 9.6141 9.8286 9.8286 11.1146 11.1146 11.2947 11.2947 11.4922 11.4922 11.8753 11.8753 12.0751 12.0751 12.4263 12.4263 13.6441 13.6441 k = 0.5880-0.1701-0.4079 ( 4868 PWs) bands (ev): -3.0509 -3.0509 -2.3809 -2.3809 -1.4397 -1.4397 -0.7779 -0.7779 4.1949 4.1949 4.4196 4.4196 4.7558 4.7558 5.0430 5.0430 5.1081 5.1081 5.2845 5.2845 5.5404 5.5404 5.9808 5.9808 6.1448 6.1448 6.4006 6.4006 6.6667 6.6667 7.0195 7.0195 7.3883 7.3883 7.7785 7.7785 8.4189 8.4189 8.5121 8.5121 8.8041 8.8041 9.1256 9.1256 9.3743 9.3743 9.7073 9.7073 9.8809 9.8809 11.0614 11.0614 11.3589 11.3589 11.5909 11.5909 11.9098 11.9098 12.0850 12.0850 12.4390 12.4390 13.6593 13.6593 k = 0.5817-0.1520-0.3752 ( 4866 PWs) bands (ev): -3.0849 -3.0849 -2.4081 -2.4081 -1.4577 -1.4577 -0.7794 -0.7794 4.2120 4.2120 4.4006 4.4006 4.7432 4.7432 5.0631 5.0631 5.0915 5.0915 5.2600 5.2600 5.5338 5.5338 5.9718 5.9718 6.1378 6.1378 6.4402 6.4402 6.6811 6.6811 7.0374 7.0374 7.4241 7.4241 7.8366 7.8366 8.4381 8.4381 8.5201 8.5201 8.8229 8.8229 9.1683 9.1683 9.4291 9.4291 9.7944 9.7944 9.9428 9.9428 10.9982 10.9982 11.4108 11.4108 11.6766 11.6766 11.9548 11.9548 12.0978 12.0978 12.4690 12.4690 13.6694 13.6694 k = 0.5755-0.1338-0.3426 ( 4872 PWs) bands (ev): -3.1165 -3.1165 -2.4337 -2.4337 -1.4746 -1.4746 -0.7810 -0.7810 4.2313 4.2313 4.3829 4.3829 4.7308 4.7308 5.0689 5.0689 5.0816 5.0816 5.2369 5.2369 5.5298 5.5298 5.9606 5.9606 6.1335 6.1335 6.4770 6.4770 6.6961 6.6961 7.0551 7.0551 7.4642 7.4642 7.8927 7.8927 8.4500 8.4500 8.5295 8.5295 8.8431 8.8431 9.1973 9.1973 9.4924 9.4924 9.8723 9.8723 10.0151 10.0151 10.9411 10.9411 11.4364 11.4364 11.7390 11.7390 12.0158 12.0158 12.1189 12.1189 12.5155 12.5155 13.6746 13.6746 k = 0.5692-0.1156-0.3099 ( 4874 PWs) bands (ev): -3.1458 -3.1458 -2.4574 -2.4574 -1.4903 -1.4903 -0.7826 -0.7826 4.2526 4.2526 4.3667 4.3667 4.7187 4.7187 5.0486 5.0486 5.0904 5.0904 5.2155 5.2155 5.5277 5.5277 5.9485 5.9485 6.1318 6.1318 6.5098 6.5098 6.7118 6.7118 7.0727 7.0727 7.5075 7.5075 7.9461 7.9461 8.4546 8.4546 8.5404 8.5404 8.8649 8.8649 9.2172 9.2172 9.5573 9.5573 9.9424 9.9424 10.0931 10.0931 10.8980 10.8980 11.4339 11.4339 11.7793 11.7793 12.0733 12.0733 12.1664 12.1664 12.5764 12.5764 13.6752 13.6752 k = 0.5629-0.0975-0.2772 ( 4878 PWs) bands (ev): -3.1726 -3.1726 -2.4793 -2.4793 -1.5048 -1.5048 -0.7843 -0.7843 4.2759 4.2759 4.3520 4.3520 4.7069 4.7069 5.0241 5.0241 5.0966 5.0966 5.1963 5.1963 5.5270 5.5270 5.9366 5.9366 6.1323 6.1323 6.5382 6.5382 6.7280 6.7280 7.0903 7.0903 7.5529 7.5529 7.9963 7.9963 8.4533 8.4533 8.5516 8.5516 8.8881 8.8881 9.2319 9.2319 9.6190 9.6190 10.0059 10.0059 10.1698 10.1698 10.8750 10.8750 11.4083 11.4083 11.8068 11.8068 12.0984 12.0984 12.2571 12.2571 12.6479 12.6479 13.6717 13.6717 k = 0.5566-0.0793-0.2445 ( 4878 PWs) bands (ev): -3.1971 -3.1971 -2.4992 -2.4992 -1.5181 -1.5181 -0.7860 -0.7860 4.3008 4.3008 4.3388 4.3388 4.6956 4.6956 4.9972 4.9972 5.0995 5.0995 5.1794 5.1794 5.5266 5.5266 5.9258 5.9258 6.1345 6.1345 6.5622 6.5622 6.7446 6.7446 7.1081 7.1081 7.5994 7.5994 8.0427 8.0427 8.4479 8.4479 8.5618 8.5618 8.9119 8.9119 9.2437 9.2437 9.6763 9.6763 10.0589 10.0589 10.2425 10.2425 10.8761 10.8761 11.3678 11.3678 11.8285 11.8285 12.1049 12.1049 12.3664 12.3664 12.7255 12.7255 13.6645 13.6645 k = 0.5503-0.0612-0.2119 ( 4878 PWs) bands (ev): -3.2190 -3.2190 -2.5172 -2.5172 -1.5300 -1.5300 -0.7877 -0.7877 4.3236 4.3236 4.3308 4.3308 4.6847 4.6847 4.9683 4.9683 5.0998 5.0998 5.1651 5.1651 5.5262 5.5262 5.9162 5.9162 6.1380 6.1380 6.5821 6.5821 6.7609 6.7609 7.1257 7.1257 7.6461 7.6461 8.0851 8.0851 8.4393 8.4393 8.5700 8.5700 8.9350 8.9350 9.2536 9.2536 9.7302 9.7302 10.0944 10.0944 10.3138 10.3138 10.8984 10.8984 11.3226 11.3226 11.8471 11.8471 12.1011 12.1011 12.4793 12.4793 12.8053 12.8053 13.6541 13.6541 k = 0.5440-0.0430-0.1792 ( 4878 PWs) bands (ev): -3.2384 -3.2384 -2.5331 -2.5331 -1.5406 -1.5406 -0.7892 -0.7892 4.3158 4.3158 4.3563 4.3563 4.6741 4.6741 4.9382 4.9382 5.0979 5.0979 5.1536 5.1536 5.5254 5.5254 5.9081 5.9081 6.1423 6.1423 6.5985 6.5985 6.7766 6.7766 7.1429 7.1429 7.6922 7.6922 8.1232 8.1232 8.4284 8.4284 8.5762 8.5762 8.9561 8.9561 9.2619 9.2619 9.7834 9.7834 10.1100 10.1100 10.3862 10.3862 10.9277 10.9277 11.2875 11.2875 11.8639 11.8639 12.0889 12.0889 12.5895 12.5895 12.8841 12.8841 13.6409 13.6409 k = 0.5377-0.0248-0.1465 ( 4876 PWs) bands (ev): -3.2553 -3.2553 -2.5470 -2.5470 -1.5499 -1.5499 -0.7907 -0.7907 4.3069 4.3069 4.3854 4.3854 4.6636 4.6636 4.9077 4.9077 5.0944 5.0944 5.1447 5.1447 5.5241 5.5241 5.9015 5.9015 6.1470 6.1470 6.6117 6.6117 6.7910 6.7910 7.1592 7.1592 7.7367 7.7367 8.1570 8.1570 8.4155 8.4155 8.5805 8.5805 8.9742 8.9742 9.2685 9.2685 9.8383 9.8383 10.1109 10.1109 10.4566 10.4566 10.9402 10.9402 11.2835 11.2835 11.8792 11.8792 12.0685 12.0685 12.6928 12.6928 12.9600 12.9600 13.6250 13.6250 k = 0.5314-0.0067-0.1139 ( 4870 PWs) bands (ev): -3.2696 -3.2696 -2.5588 -2.5588 -1.5578 -1.5578 -0.7919 -0.7919 4.2993 4.2993 4.4154 4.4154 4.6528 4.6528 4.8779 4.8779 5.0900 5.0900 5.1383 5.1383 5.5224 5.5224 5.8961 5.8961 6.1517 6.1517 6.6222 6.6222 6.8038 6.8038 7.1743 7.1743 7.7786 7.7786 8.1864 8.1864 8.4013 8.4013 8.5831 8.5831 8.9885 8.9885 9.2729 9.2729 9.8964 9.8964 10.1044 10.1044 10.5180 10.5180 10.9222 10.9222 11.3223 11.3223 11.8927 11.8927 12.0405 12.0405 12.7854 12.7854 13.0320 13.0320 13.6068 13.6068 k = 0.5252 0.0115-0.0812 ( 4880 PWs) bands (ev): -3.2814 -3.2814 -2.5685 -2.5685 -1.5643 -1.5643 -0.7930 -0.7930 4.2931 4.2931 4.4458 4.4458 4.6413 4.6413 4.8500 4.8500 5.0853 5.0853 5.1337 5.1337 5.5205 5.5205 5.8919 5.8919 6.1560 6.1560 6.6305 6.6305 6.8146 6.8146 7.1874 7.1874 7.8167 7.8167 8.2114 8.2114 8.3863 8.3863 8.5845 8.5845 8.9992 8.9992 9.2751 9.2751 9.9570 9.9570 10.0967 10.0967 10.5603 10.5603 10.8886 10.8886 11.3913 11.3913 11.9030 11.9030 12.0062 12.0062 12.8639 12.8639 13.0989 13.0989 13.5868 13.5868 k = 0.5189 0.0296-0.0485 ( 4886 PWs) bands (ev): -3.2905 -3.2905 -2.5761 -2.5761 -1.5693 -1.5693 -0.7938 -0.7938 4.2883 4.2883 4.4761 4.4761 4.6282 4.6282 4.8256 4.8256 5.0811 5.0811 5.1306 5.1306 5.5188 5.5188 5.8887 5.8887 6.1597 6.1597 6.6366 6.6366 6.8232 6.8232 7.1982 7.1982 7.8494 7.8494 8.2318 8.2318 8.3716 8.3716 8.5850 8.5850 9.0065 9.0065 9.2755 9.2755 10.0144 10.0144 10.0952 10.0952 10.5715 10.5715 10.8635 10.8635 11.4733 11.4733 11.9038 11.9038 11.9716 11.9716 12.9256 12.9256 13.1591 13.1591 13.5661 13.5661 k = 0.5126 0.0478-0.0159 ( 4884 PWs) bands (ev): -3.2971 -3.2971 -2.5815 -2.5815 -1.5729 -1.5729 -0.7945 -0.7945 4.2848 4.2848 4.5052 4.5052 4.6130 4.6130 4.8064 4.8064 5.0778 5.0778 5.1286 5.1286 5.5174 5.5174 5.8865 5.8865 6.1625 6.1625 6.6409 6.6409 6.8295 6.8295 7.2063 7.2063 7.8749 7.8749 8.2475 8.2475 8.3585 8.3585 8.5850 8.5850 9.0112 9.0112 9.2749 9.2749 10.0479 10.0479 10.1176 10.1176 10.5505 10.5505 10.8574 10.8574 11.5569 11.5569 11.8781 11.8781 11.9543 11.9543 12.9695 12.9695 13.2089 13.2089 13.5468 13.5468 k = 0.5063 0.0660 0.0168 ( 4872 PWs) bands (ev): -3.3010 -3.3010 -2.5848 -2.5848 -1.5751 -1.5751 -0.7948 -0.7948 4.2828 4.2828 4.5310 4.5310 4.5963 4.5963 4.7941 4.7941 5.0757 5.0757 5.1275 5.1275 5.5164 5.5164 5.8853 5.8853 6.1642 6.1642 6.6434 6.6434 6.8333 6.8333 7.2112 7.2112 7.8913 7.8913 8.2578 8.2578 8.3490 8.3490 8.5849 8.5849 9.0137 9.0137 9.2741 9.2741 10.0539 10.0539 10.1579 10.1579 10.5173 10.5173 10.8615 10.8615 11.6320 11.6320 11.8309 11.8309 11.9529 11.9529 12.9955 12.9955 13.2428 13.2428 13.5326 13.5326 k = 0.5000 0.0841 0.0495 ( 4870 PWs) bands (ev): -3.3023 -3.3023 -2.5858 -2.5858 -1.5758 -1.5758 -0.7950 -0.7950 4.2821 4.2821 4.5445 4.5445 4.5859 4.5859 4.7899 4.7899 5.0750 5.0750 5.1271 5.1271 5.5161 5.5161 5.8848 5.8848 6.1648 6.1648 6.6442 6.6442 6.8345 6.8345 7.2129 7.2129 7.8970 7.8970 8.2615 8.2615 8.3454 8.3454 8.5848 8.5848 9.0145 9.0145 9.2737 9.2737 10.0543 10.0543 10.1770 10.1770 10.5009 10.5009 10.8641 10.8641 11.6711 11.6711 11.8004 11.8004 11.9535 11.9535 13.0041 13.0041 13.2550 13.2550 13.5272 13.5272 k = 0.5000 0.0841 0.0495 ( 4870 PWs) bands (ev): -3.3023 -3.3023 -2.5858 -2.5858 -1.5758 -1.5758 -0.7950 -0.7950 4.2821 4.2821 4.5445 4.5445 4.5859 4.5859 4.7899 4.7899 5.0750 5.0750 5.1271 5.1271 5.5161 5.5161 5.8848 5.8848 6.1648 6.1648 6.6442 6.6442 6.8345 6.8345 7.2129 7.2129 7.8970 7.8970 8.2615 8.2615 8.3454 8.3454 8.5848 8.5848 9.0145 9.0145 9.2737 9.2737 10.0543 10.0543 10.1770 10.1770 10.5009 10.5009 10.8641 10.8641 11.6711 11.6711 11.8004 11.8004 11.9535 11.9535 13.0041 13.0041 13.2550 13.2550 13.5272 13.5272 k = 0.4643 0.0781 0.0459 ( 4885 PWs) bands (ev): -3.3029 -3.3029 -2.5832 -2.5832 -1.5817 -1.5817 -0.7904 -0.7904 4.2570 4.2570 4.5445 4.5445 4.6128 4.6128 4.7900 4.7900 5.0750 5.0750 5.1271 5.1271 5.5161 5.5161 5.8842 5.8842 6.1646 6.1646 6.6446 6.6446 6.8345 6.8345 7.2120 7.2120 7.8969 7.8969 8.2621 8.2621 8.3461 8.3461 8.5848 8.5848 9.0132 9.0132 9.2728 9.2728 10.0277 10.0277 10.1774 10.1774 10.5305 10.5305 10.8628 10.8628 11.6610 11.6610 11.8047 11.8047 11.9657 11.9657 13.0004 13.0004 13.2517 13.2517 13.5190 13.5190 k = 0.4286 0.0721 0.0424 ( 4891 PWs) bands (ev): -3.3047 -3.3047 -2.5754 -2.5754 -1.5986 -1.5986 -0.7772 -0.7772 4.1987 4.1987 4.5445 4.5445 4.6764 4.6764 4.7905 4.7905 5.0751 5.0751 5.1273 5.1273 5.5160 5.5160 5.8822 5.8822 6.1641 6.1641 6.6457 6.6457 6.8346 6.8346 7.2092 7.2092 7.8968 7.8968 8.2641 8.2641 8.3481 8.3481 8.5850 8.5850 9.0093 9.0093 9.2702 9.2702 9.9633 9.9633 10.1787 10.1787 10.6031 10.6031 10.8597 10.8597 11.6351 11.6351 11.8174 11.8174 11.9980 11.9980 12.9893 12.9893 13.2418 13.2418 13.4948 13.4948 k = 0.3929 0.0661 0.0389 ( 4903 PWs) bands (ev): -3.3076 -3.3076 -2.5625 -2.5625 -1.6253 -1.6253 -0.7568 -0.7568 4.1283 4.1283 4.5445 4.5445 4.7528 4.7528 4.7941 4.7941 5.0751 5.0751 5.1275 5.1275 5.5159 5.5159 5.8788 5.8788 6.1632 6.1632 6.6476 6.6476 6.8346 6.8346 7.2047 7.2047 7.8967 7.8967 8.2673 8.2673 8.3517 8.3517 8.5852 8.5852 9.0021 9.0021 9.2659 9.2659 9.8839 9.8839 10.1807 10.1807 10.6932 10.6932 10.8586 10.8586 11.6007 11.6007 11.8380 11.8380 12.0432 12.0432 12.9711 12.9711 13.2255 13.2255 13.4564 13.4564 k = 0.3571 0.0601 0.0353 ( 4903 PWs) bands (ev): -3.3114 -3.3114 -2.5448 -2.5448 -1.6600 -1.6600 -0.7310 -0.7310 4.0555 4.0555 4.5444 4.5444 4.7854 4.7854 4.8475 4.8475 5.0752 5.0752 5.1278 5.1278 5.5158 5.5158 5.8739 5.8739 6.1620 6.1620 6.6502 6.6502 6.8346 6.8346 7.1985 7.1985 7.8965 7.8965 8.2717 8.2717 8.3568 8.3568 8.5855 8.5855 8.9907 8.9907 9.2602 9.2602 9.8021 9.8021 10.1835 10.1835 10.7696 10.7696 10.8791 10.8791 11.5631 11.5631 11.8657 11.8657 12.0959 12.0959 12.9463 12.9463 13.2030 13.2030 13.4058 13.4058 k = 0.3214 0.0541 0.0318 ( 4903 PWs) bands (ev): -3.3158 -3.3158 -2.5225 -2.5225 -1.7010 -1.7010 -0.7019 -0.7019 3.9843 3.9843 4.5444 4.5444 4.7872 4.7872 4.9335 4.9335 5.0754 5.0754 5.1282 5.1282 5.5156 5.5156 5.8673 5.8673 6.1606 6.1606 6.6535 6.6535 6.8347 6.8347 7.1907 7.1907 7.8962 7.8962 8.2769 8.2769 8.3639 8.3639 8.5859 8.5859 8.9740 8.9740 9.2536 9.2536 9.7246 9.7246 10.1868 10.1868 10.7911 10.7911 10.9574 10.9574 11.5252 11.5252 11.8996 11.8996 12.1533 12.1533 12.9153 12.9153 13.1746 13.1746 13.3456 13.3456 k = 0.2857 0.0481 0.0283 ( 4906 PWs) bands (ev): -3.3206 -3.3206 -2.4961 -2.4961 -1.7466 -1.7466 -0.6713 -0.6713 3.9170 3.9170 4.5444 4.5444 4.7876 4.7876 5.0200 5.0200 5.0755 5.0755 5.1292 5.1292 5.5155 5.5155 5.8589 5.8589 6.1588 6.1588 6.6575 6.6575 6.8348 6.8348 7.1816 7.1816 7.8960 7.8960 8.2828 8.2828 8.3734 8.3734 8.5863 8.5863 8.9507 8.9507 9.2468 9.2468 9.6551 9.6551 10.1906 10.1906 10.7856 10.7856 11.0632 11.0632 11.4888 11.4888 11.9387 11.9387 12.2137 12.2137 12.8787 12.8787 13.1408 13.1408 13.2781 13.2781 k = 0.2500 0.0421 0.0247 ( 4911 PWs) bands (ev): -3.3254 -3.3254 -2.4658 -2.4658 -1.7954 -1.7954 -0.6408 -0.6408 3.8549 3.8549 4.5444 4.5444 4.7877 4.7877 5.0757 5.0757 5.1006 5.1006 5.1342 5.1342 5.5153 5.5153 5.8484 5.8484 6.1569 6.1569 6.6621 6.6621 6.8348 6.8348 7.1713 7.1713 7.8957 7.8957 8.2888 8.2888 8.3858 8.3858 8.5867 8.5867 8.9197 8.9197 9.2405 9.2405 9.5955 9.5955 10.1946 10.1946 10.7741 10.7741 11.1738 11.1738 11.4548 11.4548 11.9819 11.9819 12.2761 12.2761 12.8373 12.8373 13.1019 13.1019 13.2060 13.2060 k = 0.2143 0.0360 0.0212 ( 4899 PWs) bands (ev): -3.3302 -3.3302 -2.4320 -2.4320 -1.8463 -1.8463 -0.6117 -0.6117 3.7991 3.7991 4.5444 4.5444 4.7877 4.7877 5.0758 5.0758 5.1253 5.1253 5.1916 5.1916 5.5151 5.5151 5.8356 5.8356 6.1549 6.1549 6.6672 6.6672 6.8349 6.8349 7.1604 7.1604 7.8954 7.8954 8.2947 8.2947 8.4016 8.4016 8.5871 8.5871 8.8813 8.8813 9.2354 9.2354 9.5466 9.5466 10.1987 10.1987 10.7615 10.7615 11.2829 11.2829 11.4241 11.4241 12.0283 12.0283 12.3398 12.3398 12.7918 12.7918 13.0584 13.0584 13.1317 13.1317 k = 0.1786 0.0300 0.0177 ( 4881 PWs) bands (ev): -3.3346 -3.3346 -2.3951 -2.3951 -1.8983 -1.8983 -0.5853 -0.5853 3.7505 3.7505 4.5444 4.5444 4.7877 4.7877 5.0759 5.0759 5.1270 5.1270 5.2670 5.2670 5.5149 5.5149 5.8205 5.8205 6.1528 6.1528 6.6726 6.6726 6.8349 6.8349 7.1492 7.1492 7.8951 7.8951 8.3000 8.3000 8.4214 8.4214 8.5875 8.5875 8.8364 8.8364 9.2318 9.2318 9.5079 9.5079 10.2027 10.2027 10.7493 10.7493 11.3871 11.3871 11.3973 11.3973 12.0767 12.0767 12.4044 12.4044 12.7428 12.7428 13.0108 13.0108 13.0582 13.0582 k = 0.1429 0.0240 0.0141 ( 4875 PWs) bands (ev): -3.3384 -3.3384 -2.3556 -2.3556 -1.9507 -1.9507 -0.5623 -0.5623 3.7096 3.7096 4.5443 4.5443 4.7876 4.7876 5.0761 5.0761 5.1276 5.1276 5.3370 5.3370 5.5147 5.5147 5.8030 5.8030 6.1509 6.1509 6.6779 6.6779 6.8350 6.8350 7.1385 7.1385 7.8949 7.8949 8.3044 8.3044 8.4456 8.4456 8.5879 8.5879 8.7871 8.7871 9.2298 9.2298 9.4783 9.4783 10.2063 10.2063 10.7385 10.7385 11.3746 11.3746 11.4831 11.4831 12.1258 12.1258 12.4694 12.4694 12.6916 12.6916 12.9596 12.9596 12.9888 12.9888 k = 0.1071 0.0180 0.0106 ( 4884 PWs) bands (ev): -3.3416 -3.3416 -2.3139 -2.3139 -2.0026 -2.0026 -0.5437 -0.5437 3.6773 3.6773 4.5443 4.5443 4.7876 4.7876 5.0762 5.0762 5.1280 5.1280 5.3988 5.3988 5.5146 5.5146 5.7838 5.7838 6.1492 6.1492 6.6828 6.6828 6.8350 6.8350 7.1290 7.1290 7.8947 7.8947 8.3080 8.3080 8.4743 8.4743 8.5882 8.5882 8.7358 8.7358 9.2289 9.2289 9.4566 9.4566 10.2094 10.2094 10.7296 10.7296 11.3566 11.3566 11.5667 11.5667 12.1740 12.1740 12.5343 12.5343 12.6399 12.6399 12.9053 12.9053 12.9276 12.9276 k = 0.0714 0.0120 0.0071 ( 4896 PWs) bands (ev): -3.3439 -3.3439 -2.2713 -2.2713 -2.0526 -2.0526 -0.5300 -0.5300 3.6538 3.6538 4.5443 4.5443 4.7875 4.7875 5.0762 5.0762 5.1282 5.1282 5.4493 5.4493 5.5145 5.5145 5.7646 5.7646 6.1479 6.1479 6.6867 6.6867 6.8351 6.8351 7.1215 7.1215 7.8945 7.8945 8.3105 8.3105 8.5077 8.5077 8.5884 8.5884 8.6845 8.6845 9.2288 9.2288 9.4418 9.4418 10.2117 10.2117 10.7230 10.7230 11.3436 11.3436 11.6329 11.6329 12.2182 12.2182 12.5914 12.5914 12.5986 12.5986 12.8484 12.8484 12.8792 12.8792 k = 0.0357 0.0060 0.0035 ( 4890 PWs) bands (ev): -3.3453 -3.3453 -2.2310 -2.2310 -2.0974 -2.0974 -0.5216 -0.5216 3.6395 3.6395 4.5443 4.5443 4.7875 4.7875 5.0763 5.0763 5.1283 5.1283 5.4840 5.4840 5.5145 5.5145 5.7492 5.7492 6.1471 6.1471 6.6893 6.6893 6.8351 6.8351 7.1166 7.1166 7.8944 7.8944 8.3120 8.3120 8.5457 8.5457 8.5886 8.5886 8.6352 8.6352 9.2290 9.2290 9.4331 9.4331 10.2132 10.2132 10.7189 10.7189 11.3356 11.3356 11.6760 11.6760 12.2524 12.2524 12.5534 12.5534 12.6617 12.6617 12.7898 12.7898 12.8479 12.8479 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -3.3458 -3.3458 -2.2091 -2.2091 -2.1209 -2.1209 -0.5187 -0.5187 3.6348 3.6348 4.5443 4.5443 4.7875 4.7875 5.0763 5.0763 5.1283 5.1283 5.4966 5.4966 5.5144 5.5144 5.7429 5.7429 6.1468 6.1468 6.6902 6.6902 6.8351 6.8351 7.1150 7.1150 7.8944 7.8944 8.3125 8.3125 8.5840 8.5840 8.5886 8.5886 8.5930 8.5930 9.2291 9.2291 9.4302 9.4302 10.2137 10.2137 10.7175 10.7175 11.3330 11.3330 11.6911 11.6911 12.2661 12.2661 12.5383 12.5383 12.7110 12.7110 12.7420 12.7420 12.8370 12.8370 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -3.3458 -3.3458 -2.2091 -2.2091 -2.1209 -2.1209 -0.5187 -0.5187 3.6348 3.6348 4.5443 4.5443 4.7875 4.7875 5.0763 5.0763 5.1283 5.1283 5.4966 5.4966 5.5144 5.5144 5.7429 5.7429 6.1468 6.1468 6.6902 6.6902 6.8351 6.8351 7.1150 7.1150 7.8944 7.8944 8.3125 8.3125 8.5840 8.5840 8.5886 8.5886 8.5930 8.5930 9.2291 9.2291 9.4302 9.4302 10.2137 10.2137 10.7175 10.7175 11.3330 11.3330 11.6911 11.6911 12.2661 12.2661 12.5383 12.5383 12.7110 12.7110 12.7420 12.7420 12.8370 12.8370 k = 0.0062-0.0180-0.0324 ( 4885 PWs) bands (ev): -3.3445 -3.3445 -2.2083 -2.2083 -2.1198 -2.1198 -0.5189 -0.5189 3.6362 3.6362 4.5441 4.5441 4.7871 4.7871 5.0764 5.0764 5.1281 5.1281 5.4987 5.4987 5.5144 5.5144 5.7425 5.7425 6.1468 6.1468 6.6888 6.6888 6.8337 6.8337 7.1147 7.1147 7.8893 7.8893 8.3131 8.3131 8.5685 8.5685 8.5861 8.5861 8.6099 8.6099 9.2298 9.2298 9.4304 9.4304 10.2074 10.2074 10.7144 10.7144 11.3155 11.3155 11.7120 11.7120 12.2506 12.2506 12.5030 12.5030 12.7317 12.7317 12.7387 12.7387 12.8515 12.8515 k = 0.0125-0.0360-0.0648 ( 4889 PWs) bands (ev): -3.3406 -3.3406 -2.2060 -2.2060 -2.1164 -2.1164 -0.5193 -0.5193 3.6403 3.6403 4.5435 4.5435 4.7860 4.7860 5.0769 5.0769 5.1275 5.1275 5.5045 5.5045 5.5145 5.5145 5.7413 5.7413 6.1468 6.1468 6.6847 6.6847 6.8295 6.8295 7.1140 7.1140 7.8746 7.8746 8.3142 8.3142 8.5470 8.5470 8.5844 8.5844 8.6295 8.6295 9.2315 9.2315 9.4311 9.4311 10.1895 10.1895 10.7040 10.7040 11.2745 11.2745 11.7635 11.7635 12.2061 12.2061 12.4252 12.4252 12.7318 12.7318 12.7736 12.7736 12.8842 12.8842 k = 0.0187-0.0540-0.0971 ( 4891 PWs) bands (ev): -3.3341 -3.3341 -2.2022 -2.2022 -2.1108 -2.1108 -0.5201 -0.5201 3.6472 3.6472 4.5425 4.5425 4.7842 4.7842 5.0777 5.0777 5.1265 5.1265 5.5095 5.5095 5.5188 5.5188 5.7394 5.7394 6.1469 6.1469 6.6777 6.6777 6.8229 6.8229 7.1126 7.1126 7.8515 7.8515 8.3137 8.3137 8.5240 8.5240 8.5818 8.5818 8.6497 8.6497 9.2338 9.2338 9.4329 9.4329 10.1615 10.1615 10.6839 10.6839 11.2277 11.2277 11.8262 11.8262 12.1382 12.1382 12.3299 12.3299 12.7351 12.7351 12.8097 12.8097 12.9229 12.9229 k = 0.0249-0.0720-0.1295 ( 4891 PWs) bands (ev): -3.3251 -3.3251 -2.1969 -2.1969 -2.1030 -2.1030 -0.5211 -0.5211 3.6568 3.6568 4.5408 4.5408 4.7820 4.7820 5.0790 5.0790 5.1255 5.1255 5.5085 5.5085 5.5313 5.5313 5.7372 5.7372 6.1474 6.1474 6.6678 6.6678 6.8142 6.8142 7.1106 7.1106 7.8219 7.8219 8.3088 8.3088 8.5000 8.5000 8.5787 8.5787 8.6705 8.6705 9.2357 9.2357 9.4364 9.4364 10.1259 10.1259 10.6525 10.6525 11.1850 11.1850 11.8817 11.8817 12.0575 12.0575 12.2294 12.2294 12.7468 12.7468 12.8378 12.8378 12.9623 12.9623 k = 0.0312-0.0900-0.1619 ( 4893 PWs) bands (ev): -3.3135 -3.3135 -2.1900 -2.1900 -2.0930 -2.0930 -0.5225 -0.5225 3.6691 3.6691 4.5382 4.5382 4.7797 4.7797 5.0810 5.0810 5.1245 5.1245 5.5050 5.5050 5.5476 5.5476 5.7351 5.7351 6.1483 6.1483 6.6550 6.6550 6.8038 6.8038 7.1077 7.1077 7.7873 7.7873 8.2959 8.2959 8.4767 8.4767 8.5751 8.5751 8.6920 8.6920 9.2364 9.2364 9.4422 9.4422 10.0848 10.0848 10.6102 10.6102 11.1496 11.1496 11.8844 11.8844 11.9915 11.9915 12.1453 12.1453 12.7638 12.7638 12.8576 12.8576 13.0012 13.0012 k = 0.0374-0.1080-0.1943 ( 4895 PWs) bands (ev): -3.2993 -3.2993 -2.1816 -2.1816 -2.0808 -2.0808 -0.5241 -0.5241 3.6841 3.6841 4.5347 4.5347 4.7776 4.7776 5.0837 5.0837 5.1239 5.1239 5.4992 5.4992 5.5660 5.5660 5.7339 5.7339 6.1501 6.1501 6.6393 6.6393 6.7921 6.7921 7.1039 7.1039 7.7491 7.7491 8.2713 8.2713 8.4563 8.4563 8.5713 8.5713 8.7139 8.7139 9.2351 9.2351 9.4498 9.4498 10.0404 10.0404 10.5599 10.5599 11.1196 11.1196 11.8001 11.8001 11.9254 11.9254 12.1312 12.1312 12.7821 12.7821 12.8699 12.8699 13.0403 13.0403 k = 0.0436-0.1260-0.2266 ( 4897 PWs) bands (ev): -3.2826 -3.2826 -2.1718 -2.1718 -2.0665 -2.0665 -0.5261 -0.5261 3.7017 3.7017 4.5300 4.5300 4.7762 4.7762 5.0868 5.0868 5.1237 5.1237 5.4907 5.4907 5.5856 5.5856 5.7343 5.7343 6.1528 6.1528 6.6207 6.6207 6.7792 6.7792 7.0991 7.0991 7.7083 7.7083 8.2331 8.2331 8.4402 8.4402 8.5673 8.5673 8.7358 8.7358 9.2316 9.2316 9.4577 9.4577 9.9950 9.9950 10.5056 10.5056 11.0910 11.0910 11.6882 11.6882 11.8217 11.8217 12.1697 12.1697 12.7974 12.7974 12.8752 12.8752 13.0815 13.0815 k = 0.0499-0.1440-0.2590 ( 4889 PWs) bands (ev): -3.2634 -3.2634 -2.1604 -2.1604 -2.0502 -2.0502 -0.5284 -0.5284 3.7219 3.7219 4.5241 4.5241 4.7758 4.7758 5.0894 5.0894 5.1248 5.1248 5.4792 5.4792 5.6055 5.6055 5.7372 5.7372 6.1567 6.1567 6.5995 6.5995 6.7654 6.7654 7.0932 7.0932 7.6657 7.6657 8.1825 8.1825 8.4279 8.4279 8.5632 8.5632 8.7570 8.7570 9.2260 9.2260 9.4633 9.4633 9.9511 9.9511 10.4506 10.4506 11.0594 11.0594 11.5702 11.5702 11.7081 11.7081 12.2159 12.2159 12.8062 12.8062 12.8742 12.8742 13.1264 13.1264 k = 0.0561-0.1620-0.2914 ( 4881 PWs) bands (ev): -3.2417 -3.2417 -2.1476 -2.1476 -2.0318 -2.0318 -0.5310 -0.5310 3.7446 3.7446 4.5168 4.5168 4.7766 4.7766 5.0900 5.0900 5.1283 5.1283 5.4648 5.4648 5.6247 5.6247 5.7437 5.7437 6.1619 6.1619 6.5758 6.5758 6.7506 6.7506 7.0861 7.0861 7.6218 7.6218 8.1217 8.1217 8.4176 8.4176 8.5589 8.5589 8.7764 8.7764 9.2188 9.2188 9.4635 9.4635 9.9119 9.9119 10.3970 10.3970 11.0202 11.0202 11.4525 11.4525 11.5961 11.5961 12.2570 12.2570 12.8050 12.8050 12.8687 12.8687 13.1757 13.1757 k = 0.0623-0.1800-0.3238 ( 4879 PWs) bands (ev): -3.2175 -3.2175 -2.1334 -2.1334 -2.0114 -2.0114 -0.5340 -0.5340 3.7697 3.7697 4.5083 4.5083 4.7789 4.7789 5.0871 5.0871 5.1351 5.1351 5.4479 5.4479 5.6424 5.6424 5.7543 5.7543 6.1684 6.1684 6.5498 6.5498 6.7349 6.7349 7.0778 7.0778 7.5774 7.5774 8.0537 8.0537 8.4076 8.4076 8.5543 8.5543 8.7927 8.7927 9.2102 9.2102 9.4558 9.4558 9.8797 9.8797 10.3451 10.3451 10.9697 10.9697 11.3383 11.3383 11.4920 11.4920 12.2886 12.2886 12.7902 12.7902 12.8624 12.8624 13.2284 13.2284 k = 0.0685-0.1980-0.3561 ( 4871 PWs) bands (ev): -3.1910 -3.1910 -2.1177 -2.1177 -1.9892 -1.9892 -0.5374 -0.5374 3.7971 3.7971 4.4988 4.4988 4.7827 4.7827 5.0799 5.0799 5.1451 5.1451 5.4297 5.4297 5.6579 5.6579 5.7693 5.7693 6.1760 6.1760 6.5216 6.5216 6.7181 6.7181 7.0679 7.0679 7.5329 7.5329 7.9811 7.9811 8.3969 8.3969 8.5491 8.5491 8.8044 8.8044 9.2005 9.2005 9.4400 9.4400 9.8552 9.8552 10.2938 10.2938 10.9063 10.9063 11.2290 11.2290 11.4007 11.4007 12.3080 12.3080 12.7601 12.7601 12.8585 12.8585 13.2827 13.2827 k = 0.0748-0.2160-0.3885 ( 4869 PWs) bands (ev): -3.1620 -3.1620 -2.1007 -2.1007 -1.9651 -1.9651 -0.5411 -0.5411 3.8268 3.8268 4.4885 4.4885 4.7877 4.7877 5.0678 5.0678 5.1577 5.1577 5.4116 5.4116 5.6712 5.6712 5.7883 5.7883 6.1844 6.1844 6.4912 6.4912 6.7003 6.7003 7.0564 7.0564 7.4890 7.4890 7.9061 7.9061 8.3843 8.3843 8.5433 8.5433 8.8094 8.8094 9.1899 9.1899 9.4188 9.4188 9.8363 9.8363 10.2405 10.2405 10.8326 10.8326 11.1250 11.1250 11.3248 11.3248 12.3134 12.3134 12.7165 12.7165 12.8574 12.8574 13.3366 13.3366 k = 0.0810-0.2340-0.4209 ( 4871 PWs) bands (ev): -3.1306 -3.1306 -2.0823 -2.0823 -1.9392 -1.9392 -0.5452 -0.5452 3.8585 3.8585 4.4778 4.4778 4.7937 4.7937 5.0507 5.0507 5.1726 5.1726 5.3950 5.3950 5.6826 5.6826 5.8104 5.8104 6.1931 6.1931 6.4587 6.4587 6.6814 6.6814 7.0428 7.0428 7.4463 7.4463 7.8310 7.8310 8.3691 8.3691 8.5362 8.5362 8.8060 8.8060 9.1782 9.1782 9.3970 9.3970 9.8189 9.8189 10.1818 10.1818 10.7551 10.7551 11.0274 11.0274 11.2629 11.2629 12.3034 12.3034 12.6614 12.6614 12.8590 12.8590 13.3881 13.3881 k = 0.0872-0.2520-0.4533 ( 4867 PWs) bands (ev): -3.0970 -3.0970 -2.0625 -2.0625 -1.9117 -1.9117 -0.5496 -0.5496 3.8923 3.8923 4.4669 4.4669 4.8001 4.8001 5.0284 5.0284 5.1893 5.1893 5.3814 5.3814 5.6924 5.6924 5.8346 5.8346 6.2014 6.2014 6.4241 6.4241 6.6614 6.6614 7.0270 7.0270 7.4056 7.4056 7.7578 7.7578 8.3506 8.3506 8.5273 8.5273 8.7934 8.7934 9.1656 9.1656 9.3789 9.3789 9.7986 9.7986 10.1142 10.1142 10.6808 10.6808 10.9389 10.9389 11.2112 11.2112 12.2778 12.2778 12.5970 12.5970 12.8633 12.8634 13.4357 13.4357 k = 0.0935-0.2700-0.4856 ( 4875 PWs) bands (ev): -3.0611 -3.0611 -2.0416 -2.0416 -1.8826 -1.8826 -0.5545 -0.5545 3.9279 3.9279 4.4563 4.4563 4.8058 4.8058 5.0016 5.0016 5.2075 5.2075 5.3717 5.3717 5.7010 5.7010 5.8598 5.8598 6.2079 6.2079 6.3881 6.3881 6.6404 6.6404 7.0087 7.0087 7.3676 7.3676 7.6885 7.6885 8.3281 8.3281 8.5155 8.5155 8.7723 8.7723 9.1518 9.1518 9.3661 9.3661 9.7718 9.7718 10.0359 10.0359 10.6140 10.6140 10.8628 10.8628 11.1660 11.1660 12.2371 12.2371 12.5252 12.5252 12.8698 12.8698 13.4782 13.4782 k = 0.0997-0.2879-0.5180 ( 4875 PWs) bands (ev): -3.0230 -3.0230 -2.0193 -2.0193 -1.8520 -1.8520 -0.5597 -0.5597 3.9652 3.9652 4.4463 4.4463 4.8091 4.8091 4.9724 4.9724 5.2270 5.2270 5.3663 5.3663 5.7085 5.7085 5.8851 5.8851 6.2101 6.2101 6.3525 6.3525 6.6184 6.6184 6.9882 6.9882 7.3327 7.3327 7.6249 7.6249 8.3010 8.3010 8.4997 8.4997 8.7454 8.7454 9.1369 9.1369 9.3573 9.3573 9.7361 9.7361 9.9490 9.9490 10.5555 10.5555 10.8016 10.8016 11.1244 11.1244 12.1826 12.1826 12.4481 12.4481 12.8775 12.8775 13.5148 13.5148 k = 0.1059-0.3059-0.5504 ( 4859 PWs) bands (ev): -2.9828 -2.9828 -1.9959 -1.9959 -1.8201 -1.8201 -0.5654 -0.5654 4.0039 4.0039 4.4370 4.4370 4.8063 4.8063 4.9452 4.9452 5.2475 5.2475 5.3650 5.3650 5.7148 5.7148 5.9094 5.9094 6.2033 6.2033 6.3221 6.3221 6.5951 6.5951 6.9661 6.9661 7.3012 7.3012 7.5686 7.5686 8.2689 8.2689 8.4784 8.4784 8.7163 8.7163 9.1205 9.1205 9.3482 9.3482 9.6889 9.6889 9.8609 9.8609 10.5040 10.5040 10.7553 10.7553 11.0848 11.0848 12.1161 12.1161 12.3681 12.3681 12.8854 12.8854 13.5452 13.5452 k = 0.1122-0.3239-0.5828 ( 4857 PWs) bands (ev): -2.9405 -2.9405 -1.9714 -1.9714 -1.7869 -1.7869 -0.5715 -0.5715 4.0439 4.0439 4.4288 4.4288 4.7918 4.7918 4.9261 4.9261 5.2686 5.2686 5.3676 5.3676 5.7196 5.7196 5.9309 5.9309 6.1816 6.1816 6.3034 6.3034 6.5699 6.5699 6.9438 6.9438 7.2727 7.2727 7.5207 7.5207 8.2315 8.2315 8.4508 8.4508 8.6886 8.6886 9.1017 9.1017 9.3328 9.3328 9.6249 9.6249 9.7851 9.7851 10.4584 10.4584 10.7212 10.7212 11.0462 11.0462 12.0395 12.0395 12.2876 12.2876 12.8926 12.8926 13.5697 13.5697 k = 0.1184-0.3419-0.6151 ( 4867 PWs) bands (ev): -2.8961 -2.8961 -1.9458 -1.9458 -1.7525 -1.7525 -0.5780 -0.5780 4.0849 4.0849 4.4218 4.4218 4.7631 4.7631 4.9186 4.9186 5.2898 5.2898 5.3738 5.3738 5.7225 5.7225 5.9469 5.9469 6.1472 6.1472 6.2974 6.2974 6.5422 6.5422 6.9231 6.9231 7.2469 7.2469 7.4817 7.4817 8.1887 8.1887 8.4169 8.4169 8.6639 8.6639 9.0793 9.0793 9.3051 9.3051 9.5412 9.5412 9.7344 9.7344 10.4184 10.4184 10.6943 10.6943 11.0079 11.0079 11.9550 11.9550 12.2092 12.2092 12.8983 12.8983 13.5885 13.5885 k = 0.1246-0.3599-0.6475 ( 4869 PWs) bands (ev): -2.8499 -2.8499 -1.9192 -1.9192 -1.7172 -1.7172 -0.5849 -0.5849 4.1266 4.1266 4.4163 4.4163 4.7236 4.7236 4.9197 4.9197 5.3106 5.3106 5.3834 5.3834 5.7227 5.7227 5.9520 5.9520 6.1111 6.1111 6.2994 6.2994 6.5113 6.5113 6.9059 6.9059 7.2234 7.2234 7.4516 7.4516 8.1409 8.1409 8.3778 8.3778 8.6421 8.6421 9.0507 9.0507 9.2628 9.2628 9.4465 9.4465 9.7080 9.7080 10.3840 10.3840 10.6695 10.6695 10.9694 10.9694 11.8646 11.8646 12.1354 12.1354 12.9017 12.9017 13.6023 13.6023 k = 0.1309-0.3779-0.6799 ( 4875 PWs) bands (ev): -2.8017 -2.8017 -1.8917 -1.8917 -1.6811 -1.6811 -0.5923 -0.5923 4.1687 4.1687 4.4124 4.4124 4.6785 4.6785 4.9248 4.9248 5.3305 5.3305 5.3961 5.3961 5.7187 5.7187 5.9393 5.9393 6.0852 6.0852 6.3066 6.3066 6.4771 6.4771 6.8932 6.8932 7.2021 7.2021 7.4295 7.4295 8.0893 8.0893 8.3349 8.3349 8.6217 8.6217 9.0115 9.0115 9.2087 9.2087 9.3529 9.3529 9.6977 9.6977 10.3546 10.3546 10.6425 10.6425 10.9303 10.9303 11.7707 11.7707 12.0690 12.0690 12.9024 12.9024 13.6116 13.6116 k = 0.1371-0.3959-0.7123 ( 4875 PWs) bands (ev): -2.7519 -2.7519 -1.8632 -1.8632 -1.6443 -1.6443 -0.6001 -0.6001 4.2107 4.2107 4.4103 4.4103 4.6308 4.6308 4.9310 4.9310 5.3488 5.3488 5.4114 5.4114 5.7079 5.7079 5.9104 5.9104 6.0723 6.0723 6.3186 6.3186 6.4401 6.4401 6.8851 6.8851 7.1830 7.1830 7.4140 7.4140 8.0350 8.0350 8.2893 8.2893 8.6009 8.6009 8.9567 8.9567 9.1485 9.1485 9.2701 9.2701 9.6960 9.6960 10.3289 10.3289 10.6105 10.6105 10.8901 10.8901 11.6756 11.6756 12.0122 12.0122 12.8999 12.8999 13.6169 13.6169 k = 0.1433-0.4139-0.7447 ( 4873 PWs) bands (ev): -2.7003 -2.7003 -1.8340 -1.8340 -1.6069 -1.6069 -0.6083 -0.6083 4.2523 4.2523 4.4101 4.4101 4.5824 4.5824 4.9362 4.9362 5.3651 5.3651 5.4283 5.4283 5.6875 5.6875 5.8780 5.8780 6.0649 6.0649 6.3357 6.3357 6.4019 6.4019 6.8808 6.8808 7.1664 7.1664 7.4034 7.4034 7.9798 7.9798 8.2416 8.2416 8.5772 8.5772 8.8845 8.8845 9.0860 9.0860 9.2049 9.2049 9.6971 9.6971 10.3050 10.3050 10.5716 10.5716 10.8486 10.8486 11.5818 11.5818 11.9666 11.9666 12.8940 12.8940 13.6188 13.6188 k = 0.1496-0.4319-0.7770 ( 4863 PWs) bands (ev): -2.6472 -2.6472 -1.8041 -1.8041 -1.5693 -1.5693 -0.6169 -0.6169 4.2926 4.2926 4.4121 4.4121 4.5348 4.5348 4.9388 4.9388 5.3788 5.3788 5.4451 5.4451 5.6568 5.6568 5.8526 5.8526 6.0563 6.0563 6.3571 6.3571 6.3651 6.3651 6.8787 6.8787 7.1525 7.1525 7.3955 7.3955 7.9256 7.9256 8.1927 8.1927 8.5478 8.5478 8.8000 8.8000 9.0227 9.0227 9.1580 9.1580 9.6971 9.6971 10.2802 10.2802 10.5251 10.5251 10.8062 10.8062 11.4921 11.4921 11.9333 11.9333 12.8843 12.8843 13.6177 13.6177 k = 0.1558-0.4499-0.8094 ( 4857 PWs) bands (ev): -2.5926 -2.5926 -1.7735 -1.7735 -1.5314 -1.5314 -0.6259 -0.6259 4.3301 4.3301 4.4170 4.4170 4.4892 4.4892 4.9371 4.9371 5.3884 5.3884 5.4591 5.4591 5.6220 5.6220 5.8367 5.8367 6.0442 6.0442 6.3291 6.3291 6.3847 6.3847 6.8770 6.8770 7.1411 7.1411 7.3884 7.3884 7.8744 7.8744 8.1432 8.1432 8.5093 8.5093 8.7117 8.7117 8.9622 8.9622 9.1238 9.1238 9.6934 9.6934 10.2505 10.2505 10.4712 10.4712 10.7639 10.7639 11.4097 11.4097 11.9120 11.9120 12.8709 12.8709 13.6139 13.6139 k = 0.1620-0.4679-0.8418 ( 4854 PWs) bands (ev): -2.5367 -2.5367 -1.7424 -1.7424 -1.4936 -1.4936 -0.6354 -0.6354 4.3617 4.3617 4.4234 4.4234 4.4507 4.4507 4.9292 4.9292 5.3910 5.3910 5.4664 5.4664 5.5949 5.5949 5.8281 5.8281 6.0285 6.0285 6.2985 6.2985 6.4148 6.4148 6.8739 6.8739 7.1317 7.1317 7.3798 7.3798 7.8288 7.8288 8.0941 8.0941 8.4577 8.4577 8.6279 8.6279 8.9083 8.9083 9.0967 9.0967 9.6848 9.6848 10.2115 10.2115 10.4110 10.4110 10.7226 10.7226 11.3385 11.3385 11.9018 11.9018 12.8534 12.8534 13.6077 13.6077 k = 0.1683-0.4859-0.8742 ( 4866 PWs) bands (ev): -2.4796 -2.4796 -1.7108 -1.7108 -1.4561 -1.4561 -0.6453 -0.6453 4.3759 4.3759 4.4089 4.4089 4.4530 4.4530 4.9132 4.9132 5.3823 5.3823 5.4653 5.4653 5.5857 5.5857 5.8246 5.8246 6.0104 6.0104 6.2733 6.2733 6.4474 6.4474 6.8679 6.8679 7.1230 7.1230 7.3673 7.3673 7.7912 7.7912 8.0471 8.0471 8.3910 8.3910 8.5537 8.5537 8.8627 8.8627 9.0734 9.0734 9.6706 9.6706 10.1597 10.1597 10.3453 10.3453 10.6824 10.6824 11.2824 11.2824 11.9010 11.9010 12.8317 12.8317 13.5995 13.5995 k = 0.1745-0.5039-0.9065 ( 4864 PWs) bands (ev): -2.4214 -2.4214 -1.6789 -1.6789 -1.4189 -1.4189 -0.6555 -0.6555 4.3513 4.3513 4.4118 4.4118 4.4793 4.4793 4.8874 4.8874 5.3626 5.3626 5.4594 5.4594 5.5928 5.5928 5.8255 5.8255 5.9914 5.9914 6.2540 6.2540 6.4816 6.4816 6.8578 6.8578 7.1135 7.1135 7.3496 7.3496 7.7637 7.7637 8.0039 8.0039 8.3128 8.3128 8.4888 8.4888 8.8254 8.8254 9.0518 9.0518 9.6509 9.6509 10.0940 10.0940 10.2744 10.2744 10.6425 10.6425 11.2450 11.2450 11.9080 11.9080 12.8060 12.8060 13.5893 13.5893 k = 0.1807-0.5219-0.9389 ( 4858 PWs) bands (ev): -2.3623 -2.3623 -1.6467 -1.6467 -1.3825 -1.3825 -0.6661 -0.6661 4.3174 4.3174 4.4222 4.4222 4.5100 4.5100 4.8516 4.8516 5.3383 5.3383 5.4501 5.4501 5.6092 5.6092 5.8308 5.8308 5.9731 5.9731 6.2403 6.2403 6.5164 6.5164 6.8423 6.8423 7.1008 7.1008 7.3271 7.3271 7.7470 7.7470 7.9669 7.9669 8.2300 8.2300 8.4295 8.4295 8.7948 8.7948 9.0312 9.0312 9.6256 9.6256 10.0165 10.0165 10.1978 10.1978 10.6015 10.6015 11.2279 11.2279 11.9208 11.9208 12.7760 12.7760 13.5776 13.5776 k = 0.1869-0.5399-0.9713 ( 4862 PWs) bands (ev): -2.3024 -2.3024 -1.6144 -1.6144 -1.3468 -1.3468 -0.6771 -0.6771 4.2855 4.2855 4.4328 4.4328 4.5407 4.5407 4.8066 4.8066 5.3143 5.3143 5.4366 5.4366 5.6304 5.6304 5.8404 5.8404 5.9567 5.9567 6.2317 6.2317 6.5507 6.5507 6.8209 6.8209 7.0822 7.0822 7.3026 7.3026 7.7396 7.7396 7.9381 7.9381 8.1483 8.1483 8.3735 8.3735 8.7692 8.7692 9.0108 9.0108 9.5951 9.5951 9.9308 9.9308 10.1149 10.1149 10.5584 10.5584 11.2306 11.2306 11.9380 11.9380 12.7418 12.7418 13.5647 13.5647 k = 0.1932-0.5579-1.0037 ( 4858 PWs) bands (ev): -2.2420 -2.2420 -1.5821 -1.5821 -1.3123 -1.3123 -0.6884 -0.6884 4.2571 4.2571 4.4435 4.4435 4.5691 4.5691 4.7555 4.7555 5.2914 5.2914 5.4197 5.4197 5.6541 5.6541 5.8536 5.8536 5.9429 5.9429 6.2277 6.2277 6.5831 6.5831 6.7934 6.7934 7.0551 7.0551 7.2806 7.2806 7.7389 7.7389 7.9182 7.9182 8.0724 8.0724 8.3199 8.3199 8.7466 8.7466 8.9904 8.9904 9.5590 9.5590 9.8407 9.8407 10.0264 10.0264 10.5135 10.5135 11.2505 11.2505 11.9578 11.9578 12.7034 12.7034 13.5509 13.5509 k = 0.1994-0.5759-1.0360 ( 4850 PWs) bands (ev): -2.1811 -2.1811 -1.5499 -1.5499 -1.2790 -1.2790 -0.6999 -0.6999 4.2326 4.2326 4.4542 4.4542 4.5915 4.5915 4.7039 4.7039 5.2675 5.2675 5.4017 5.4017 5.6790 5.6790 5.8690 5.8690 5.9326 5.9326 6.2277 6.2277 6.6103 6.6103 6.7619 6.7619 7.0183 7.0183 7.2649 7.2649 7.7423 7.7423 7.9030 7.9030 8.0093 8.0093 8.2691 8.2691 8.7254 8.7254 8.9699 8.9699 9.5168 9.5168 9.7501 9.7501 9.9336 9.9336 10.4673 10.4673 11.2844 11.2844 11.9793 11.9793 12.6608 12.6608 13.5366 13.5366 k = 0.2056-0.5939-1.0684 ( 4854 PWs) bands (ev): -2.1200 -2.1200 -1.5179 -1.5179 -1.2473 -1.2473 -0.7118 -0.7118 4.2124 4.2124 4.4640 4.4640 4.5924 4.5924 4.6703 4.6703 5.2403 5.2403 5.3855 5.3855 5.7036 5.7036 5.8829 5.8829 5.9284 5.9284 6.2309 6.2309 6.6233 6.6233 6.7350 6.7350 6.9734 6.9734 7.2568 7.2568 7.7482 7.7482 7.8751 7.8751 7.9767 7.9767 8.2214 8.2214 8.7041 8.7041 8.9494 8.9494 9.4672 9.4672 9.6626 9.6626 9.8383 9.8383 10.4204 10.4204 11.3290 11.3290 12.0011 12.0011 12.6143 12.6143 13.5223 13.5223 k = 0.2119-0.6119-1.1008 ( 4848 PWs) bands (ev): -2.0588 -2.0588 -1.4863 -1.4863 -1.2172 -1.2172 -0.7238 -0.7238 4.1966 4.1966 4.4702 4.4702 4.5567 4.5567 4.6744 4.6744 5.2087 5.2087 5.3726 5.3726 5.7267 5.7267 5.8894 5.8894 5.9355 5.9355 6.2366 6.2366 6.6056 6.6056 6.7294 6.7294 6.9238 6.9238 7.2558 7.2558 7.7567 7.7567 7.8277 7.8277 7.9795 7.9795 8.1777 8.1777 8.6812 8.6812 8.9290 8.9290 9.4082 9.4082 9.5823 9.5823 9.7428 9.7428 10.3734 10.3734 11.3815 11.3815 12.0223 12.0223 12.5638 12.5638 13.5086 13.5086 k = 0.2181-0.6299-1.1332 ( 4844 PWs) bands (ev): -1.9979 -1.9979 -1.4551 -1.4551 -1.1889 -1.1889 -0.7361 -0.7361 4.1852 4.1852 4.4592 4.4592 4.5237 4.5237 4.6918 4.6918 5.1733 5.1733 5.3625 5.3625 5.7470 5.7470 5.8891 5.8891 5.9524 5.9524 6.2433 6.2433 6.5610 6.5610 6.7408 6.7408 6.8748 6.8748 7.2603 7.2603 7.7646 7.7646 7.7805 7.7805 7.9980 7.9980 8.1399 8.1399 8.6552 8.6552 8.9091 8.9091 9.3392 9.3392 9.5113 9.5113 9.6494 9.6494 10.3264 10.3264 11.4398 11.4398 12.0420 12.0420 12.5095 12.5095 13.4959 13.4959 k = 0.2243-0.6479-1.1655 ( 4848 PWs) bands (ev): -1.9373 -1.9373 -1.4247 -1.4247 -1.1628 -1.1628 -0.7484 -0.7484 4.1777 4.1777 4.4183 4.4183 4.5198 4.5198 4.7106 4.7106 5.1357 5.1357 5.3539 5.3539 5.7635 5.7635 5.8876 5.8876 5.9728 5.9728 6.2491 6.2491 6.5067 6.5067 6.7481 6.7481 6.8360 6.8360 7.2684 7.2684 7.7263 7.7263 7.7873 7.7873 8.0174 8.0174 8.1130 8.1130 8.6251 8.6251 8.8901 8.8901 9.2623 9.2623 9.4486 9.4486 9.5606 9.5606 10.2796 10.2796 11.5020 11.5020 12.0594 12.0594 12.4516 12.4516 13.4849 13.4849 k = 0.2306-0.6659-1.1979 ( 4850 PWs) bands (ev): -1.8774 -1.8774 -1.3950 -1.3950 -1.1388 -1.1388 -0.7609 -0.7609 4.1732 4.1732 4.3697 4.3697 4.5269 4.5269 4.7283 4.7283 5.0974 5.0974 5.3453 5.3453 5.7753 5.7753 5.8877 5.8877 5.9926 5.9926 6.2497 6.2497 6.4539 6.4539 6.7309 6.7309 6.8248 6.8248 7.2783 7.2783 7.6848 7.6848 7.8080 7.8080 8.0209 8.0209 8.1095 8.1095 8.5900 8.5900 8.8720 8.8720 9.1818 9.1818 9.3909 9.3909 9.4789 9.4789 10.2330 10.2330 11.5667 11.5667 12.0739 12.0739 12.3904 12.3904 13.4760 13.4760 k = 0.2368-0.6839-1.2303 ( 4860 PWs) bands (ev): -1.8184 -1.8184 -1.3664 -1.3664 -1.1171 -1.1171 -0.7733 -0.7733 4.1694 4.1694 4.3260 4.3260 4.5361 4.5361 4.7443 4.7443 5.0597 5.0597 5.3352 5.3352 5.7827 5.7827 5.8897 5.8897 6.0089 6.0089 6.2387 6.2387 6.4131 6.4131 6.6962 6.6962 6.8343 6.8343 7.2882 7.2882 7.6504 7.6504 7.8336 7.8336 8.0057 8.0057 8.1293 8.1293 8.5502 8.5502 8.8535 8.8535 9.1028 9.1028 9.3354 9.3354 9.4068 9.4068 10.1865 10.1865 11.6328 11.6328 12.0847 12.0847 12.3263 12.3263 13.4697 13.4697 k = 0.2430-0.7019-1.2627 ( 4860 PWs) bands (ev): -1.7604 -1.7604 -1.3388 -1.3388 -1.0979 -1.0979 -0.7856 -0.7856 4.1612 4.1612 4.2947 4.2947 4.5453 4.5453 4.7584 4.7584 5.0235 5.0235 5.3223 5.3223 5.7861 5.7861 5.8931 5.8931 6.0164 6.0164 6.2140 6.2140 6.3924 6.3924 6.6614 6.6614 6.8478 6.8478 7.2960 7.2960 7.6242 7.6242 7.8633 7.8633 7.9861 7.9861 8.1550 8.1550 8.5078 8.5078 8.8304 8.8304 9.0318 9.0318 9.2814 9.2814 9.3452 9.3452 10.1402 10.1402 11.6988 11.6988 12.0914 12.0914 12.2600 12.2600 13.4664 13.4664 k = 0.2493-0.7199-1.2951 ( 4856 PWs) bands (ev): -1.7038 -1.7038 -1.3126 -1.3126 -1.0812 -1.0812 -0.7977 -0.7977 4.1431 4.1431 4.2826 4.2826 4.5539 4.5539 4.7705 4.7705 4.9895 4.9895 5.3057 5.3057 5.7861 5.7861 5.8963 5.8963 6.0074 6.0074 6.1891 6.1891 6.3872 6.3872 6.6330 6.6330 6.8603 6.8603 7.2998 7.2998 7.6070 7.6070 7.8956 7.8956 7.9688 7.9688 8.1760 8.1760 8.4667 8.4667 8.7944 8.7944 8.9791 8.9791 9.2297 9.2297 9.2932 9.2932 10.0939 10.0939 11.7636 11.7636 12.0925 12.0925 12.1936 12.1936 13.4660 13.4660 k = 0.2555-0.7379-1.3274 ( 4862 PWs) bands (ev): -1.6489 -1.6489 -1.2880 -1.2880 -1.0671 -1.0671 -0.8095 -0.8095 4.1163 4.1163 4.2890 4.2890 4.5616 4.5616 4.7805 4.7805 4.9584 4.9584 5.2849 5.2849 5.7820 5.7820 5.8954 5.8954 5.9801 5.9801 6.1796 6.1796 6.3884 6.3884 6.6132 6.6132 6.8702 6.8702 7.2986 7.2986 7.5988 7.5988 7.9254 7.9254 7.9584 7.9584 8.1856 8.1856 8.4331 8.4331 8.7401 8.7401 8.9520 8.9520 9.1816 9.1816 9.2500 9.2500 10.0476 10.0476 11.8249 11.8249 12.0792 12.0792 12.1373 12.1373 13.4686 13.4686 k = 0.2617-0.7559-1.3598 ( 4860 PWs) bands (ev): -1.5957 -1.5957 -1.2650 -1.2650 -1.0557 -1.0557 -0.8208 -0.8208 4.0868 4.0868 4.3080 4.3080 4.5683 4.5683 4.7886 4.7886 4.9305 4.9305 5.2597 5.2597 5.7699 5.7699 5.8796 5.8796 5.9560 5.9560 6.1850 6.1850 6.3904 6.3904 6.6026 6.6026 6.8772 6.8772 7.2925 7.2925 7.5983 7.5983 7.9342 7.9342 7.9684 7.9684 8.1820 8.1820 8.4116 8.4116 8.6755 8.6755 8.9451 8.9451 9.1372 9.1372 9.2157 9.2157 10.0013 10.0013 11.8779 11.8779 12.0306 12.0306 12.1168 12.1168 13.4738 13.4738 k = 0.2680-0.7739-1.3922 ( 4856 PWs) bands (ev): -1.5447 -1.5447 -1.2441 -1.2441 -1.0468 -1.0468 -0.8315 -0.8315 4.0589 4.0589 4.3350 4.3350 4.5741 4.5741 4.7946 4.7946 4.9061 4.9061 5.2306 5.2306 5.7400 5.7400 5.8509 5.8509 5.9531 5.9531 6.1984 6.1984 6.3914 6.3914 6.6004 6.6004 6.8813 6.8813 7.2826 7.2826 7.6030 7.6030 7.9304 7.9304 7.9802 7.9802 8.1753 8.1753 8.3980 8.3980 8.6135 8.6135 8.9486 8.9486 9.0968 9.0968 9.1922 9.1922 9.9549 9.9549 11.9024 11.9024 11.9807 11.9807 12.1182 12.1182 13.4811 13.4811 k = 0.2742-0.7919-1.4246 ( 4852 PWs) bands (ev): -1.4960 -1.4960 -1.2253 -1.2253 -1.0406 -1.0406 -0.8413 -0.8413 4.0347 4.0347 4.3677 4.3677 4.5790 4.5790 4.7987 4.7987 4.8854 4.8854 5.1983 5.1983 5.6860 5.6860 5.8312 5.8312 5.9615 5.9615 6.2158 6.2158 6.3915 6.3915 6.6042 6.6042 6.8829 6.8829 7.2705 7.2705 7.6096 7.6096 7.9267 7.9267 7.9693 7.9693 8.1814 8.1814 8.3805 8.3805 8.5672 8.5672 8.9531 8.9531 9.0634 9.0634 9.1816 9.1816 9.9086 9.9086 11.8560 11.8560 11.9787 11.9787 12.1353 12.1353 13.4901 13.4901 k = 0.2804-0.8099-1.4569 ( 4848 PWs) bands (ev): -1.4499 -1.4499 -1.2089 -1.2089 -1.0369 -1.0369 -0.8500 -0.8500 4.0151 4.0151 4.4039 4.4039 4.5832 4.5832 4.8013 4.8013 4.8687 4.8687 5.1642 5.1642 5.6173 5.6173 5.8206 5.8206 5.9743 5.9743 6.2357 6.2357 6.3916 6.3916 6.6114 6.6114 6.8823 6.8823 7.2579 7.2579 7.6146 7.6146 7.9127 7.9127 7.9497 7.9497 8.1972 8.1972 8.3539 8.3539 8.5446 8.5446 8.9465 8.9465 9.0447 9.0447 9.1865 9.1865 9.8624 9.8624 11.7821 11.7821 11.9800 11.9800 12.1693 12.1693 13.5001 13.5001 k = 0.2867-0.8279-1.4893 ( 4846 PWs) bands (ev): -1.4065 -1.4065 -1.1951 -1.1951 -1.0357 -1.0357 -0.8575 -0.8575 4.0005 4.0005 4.4414 4.4414 4.5869 4.5869 4.8030 4.8030 4.8564 4.8564 5.1294 5.1294 5.5431 5.5431 5.8137 5.8137 5.9887 5.9887 6.2577 6.2577 6.3927 6.3927 6.6195 6.6195 6.8803 6.8803 7.2457 7.2457 7.6152 7.6152 7.8714 7.8714 7.9499 7.9499 8.2009 8.2009 8.3348 8.3348 8.5412 8.5412 8.9229 8.9229 9.0443 9.0443 9.2082 9.2082 9.8165 9.8165 11.7032 11.7032 11.9691 11.9691 12.2139 12.2139 13.5104 13.5104 k = 0.2929-0.8458-1.5217 ( 4846 PWs) bands (ev): -1.3662 -1.3662 -1.1841 -1.1841 -1.0369 -1.0369 -0.8636 -0.8636 3.9910 3.9910 4.4773 4.4773 4.5905 4.5905 4.8048 4.8048 4.8492 4.8492 5.0957 5.0957 5.4676 5.4676 5.8080 5.8080 6.0032 6.0032 6.2818 6.2818 6.3952 6.3952 6.6263 6.6263 6.8777 6.8777 7.2346 7.2346 7.6095 7.6095 7.8212 7.8212 7.9586 7.9586 8.1783 8.1783 8.3396 8.3396 8.5484 8.5484 8.8905 8.8905 9.0554 9.0554 9.2453 9.2453 9.7713 9.7713 11.6229 11.6229 11.9502 11.9502 12.2623 12.2623 13.5207 13.5207 k = 0.2991-0.8638-1.5541 ( 4852 PWs) bands (ev): -1.3293 -1.3293 -1.1758 -1.1758 -1.0402 -1.0402 -0.8681 -0.8681 3.9864 3.9864 4.5073 4.5073 4.5945 4.5945 4.8083 4.8083 4.8486 4.8486 5.0642 5.0642 5.3932 5.3932 5.8029 5.8029 6.0166 6.0166 6.3078 6.3078 6.3995 6.3995 6.6304 6.6304 6.8753 6.8753 7.2245 7.2245 7.5965 7.5965 7.7716 7.7716 7.9686 7.9686 8.1452 8.1452 8.3554 8.3554 8.5608 8.5608 8.8563 8.8563 9.0743 9.0743 9.2944 9.2944 9.7271 9.7271 11.5426 11.5426 11.9264 11.9264 12.3107 12.3107 13.5305 13.5305 k = 0.3053-0.8818-1.5864 ( 4852 PWs) bands (ev): -1.2959 -1.2959 -1.1703 -1.1703 -1.0454 -1.0454 -0.8711 -0.8711 3.9863 3.9863 4.5270 4.5270 4.5990 4.5990 4.8137 4.8137 4.8577 4.8577 5.0361 5.0361 5.3217 5.3217 5.7980 5.7980 6.0282 6.0282 6.3354 6.3354 6.4053 6.4053 6.6307 6.6307 6.8739 6.8739 7.2151 7.2151 7.5762 7.5762 7.7266 7.7266 7.9753 7.9753 8.1184 8.1184 8.3688 8.3688 8.5751 8.5751 8.8235 8.8235 9.1006 9.1006 9.3521 9.3521 9.6850 9.6850 11.4631 11.4631 11.8996 11.8996 12.3574 12.3574 13.5398 13.5398 k = 0.3116-0.8998-1.6188 ( 4840 PWs) bands (ev): -1.2667 -1.2667 -1.1672 -1.1672 -1.0523 -1.0523 -0.8725 -0.8725 3.9899 3.9899 4.5344 4.5344 4.6031 4.6031 4.8197 4.8197 4.8789 4.8789 5.0122 5.0122 5.2556 5.2556 5.7932 5.7932 6.0376 6.0376 6.3634 6.3634 6.4125 6.4125 6.6267 6.6267 6.8742 6.8742 7.2057 7.2057 7.5490 7.5490 7.6895 7.6895 7.9749 7.9749 8.1050 8.1050 8.3762 8.3762 8.5881 8.5881 8.7936 8.7936 9.1339 9.1339 9.4155 9.4155 9.6464 9.6464 11.3856 11.3856 11.8710 11.8710 12.4015 12.4015 13.5484 13.5484 k = 0.3178-0.9178-1.6512 ( 4842 PWs) bands (ev): -1.2423 -1.2423 -1.1658 -1.1658 -1.0602 -1.0602 -0.8726 -0.8726 3.9961 3.9961 4.5317 4.5317 4.6061 4.6061 4.8251 4.8251 4.9081 4.9081 4.9941 4.9941 5.1994 5.1994 5.7885 5.7885 6.0451 6.0451 6.3899 6.3899 6.4207 6.4207 6.6191 6.6191 6.8763 6.8763 7.1955 7.1955 7.5167 7.5167 7.6631 7.6631 7.9680 7.9680 8.1039 8.1039 8.3778 8.3778 8.5976 8.5976 8.7676 8.7676 9.1709 9.1709 9.4819 9.4819 9.6143 9.6143 11.3113 11.3113 11.8414 11.8414 12.4424 12.4424 13.5566 13.5566 k = 0.3240-0.9358-1.6836 ( 4838 PWs) bands (ev): -1.2243 -1.2243 -1.1648 -1.1648 -1.0686 -1.0686 -0.8716 -0.8716 4.0033 4.0033 4.5227 4.5227 4.6083 4.6083 4.8280 4.8280 4.9313 4.9313 4.9852 4.9852 5.1628 5.1628 5.7838 5.7838 6.0510 6.0510 6.4114 6.4114 6.4305 6.4305 6.6097 6.6097 6.8797 6.8797 7.1835 7.1835 7.4828 7.4828 7.6483 7.6483 7.9592 7.9592 8.1085 8.1085 8.3753 8.3753 8.6024 8.6024 8.7461 8.7461 9.2056 9.2056 9.5484 9.5484 9.5941 9.5941 11.2416 11.2416 11.8117 11.8117 12.4797 12.4797 13.5646 13.5646 k = 0.3303-0.9538-1.7159 ( 4832 PWs) bands (ev): -1.2145 -1.2145 -1.1632 -1.1632 -1.0763 -1.0763 -0.8698 -0.8698 4.0094 4.0094 4.5117 4.5117 4.6103 4.6103 4.8237 4.8237 4.9354 4.9354 4.9853 4.9853 5.1613 5.1613 5.7788 5.7788 6.0560 6.0560 6.4220 6.4220 6.4437 6.4437 6.6014 6.6014 6.8840 6.8840 7.1687 7.1687 7.4527 7.4527 7.6441 7.6441 7.9519 7.9519 8.1132 8.1132 8.3707 8.3707 8.6025 8.6025 8.7292 8.7292 9.2289 9.2289 9.5859 9.5859 9.6192 9.6192 11.1784 11.1784 11.7826 11.7826 12.5134 12.5134 13.5728 13.5728 k = 0.3365-0.9718-1.7483 ( 4836 PWs) bands (ev): -1.2129 -1.2129 -1.1616 -1.1616 -1.0817 -1.0817 -0.8675 -0.8675 4.0122 4.0122 4.5027 4.5027 4.6122 4.6122 4.8053 4.8053 4.9321 4.9321 4.9855 4.9855 5.1964 5.1964 5.7736 5.7736 6.0605 6.0605 6.4212 6.4212 6.4571 6.4571 6.5974 6.5974 6.8882 6.8882 7.1502 7.1502 7.4317 7.4317 7.6488 7.6488 7.9476 7.9476 8.1146 8.1146 8.3661 8.3661 8.5986 8.5986 8.7163 8.7163 9.2336 9.2336 9.6061 9.6061 9.6800 9.6800 11.1242 11.1242 11.7549 11.7549 12.5432 12.5432 13.5818 13.5818 k = 0.6635-0.8877-1.6988 ( 4836 PWs) bands (ev): -1.2129 -1.2129 -1.1616 -1.1616 -1.0817 -1.0817 -0.8675 -0.8675 4.0122 4.0122 4.5027 4.5027 4.6122 4.6122 4.8053 4.8053 4.9321 4.9321 4.9855 4.9855 5.1964 5.1964 5.7736 5.7736 6.0605 6.0605 6.4212 6.4212 6.4571 6.4571 6.5974 6.5974 6.8882 6.8882 7.1502 7.1502 7.4317 7.4317 7.6488 7.6488 7.9476 7.9476 8.1146 8.1146 8.3661 8.3661 8.5986 8.5986 8.7163 8.7163 9.2336 9.2336 9.6061 9.6061 9.6800 9.6800 11.1242 11.1242 11.7549 11.7549 12.5432 12.5432 13.5818 13.5818 k = 0.6572-0.8503-1.6988 ( 4832 PWs) bands (ev): -1.2174 -1.2174 -1.1635 -1.1635 -1.0831 -1.0831 -0.8649 -0.8649 4.0092 4.0092 4.4987 4.4987 4.6134 4.6134 4.7718 4.7718 4.9308 4.9308 4.9930 4.9930 5.2522 5.2522 5.7678 5.7678 6.0649 6.0649 6.4098 6.4098 6.4680 6.4680 6.5992 6.5992 6.8915 6.8915 7.1284 7.1284 7.4226 7.4226 7.6611 7.6611 7.9470 7.9470 8.1109 8.1109 8.3633 8.3633 8.5917 8.5917 8.7065 8.7065 9.2193 9.2193 9.6455 9.6455 9.7354 9.7354 11.0815 11.0815 11.7291 11.7291 12.5694 12.5694 13.5921 13.5921 k = 0.6509-0.8130-1.6988 ( 4844 PWs) bands (ev): -1.2256 -1.2256 -1.1708 -1.1708 -1.0804 -1.0804 -0.8623 -0.8623 3.9991 3.9991 4.5010 4.5010 4.6117 4.6117 4.7316 4.7316 4.9332 4.9332 5.0117 5.0117 5.3161 5.3161 5.7616 5.7616 6.0692 6.0692 6.3893 6.3893 6.4767 6.4767 6.6053 6.6053 6.8932 6.8932 7.1063 7.1063 7.4254 7.4254 7.6790 7.6790 7.9501 7.9501 8.1024 8.1024 8.3633 8.3633 8.5827 8.5827 8.6990 8.6990 9.1917 9.1917 9.6966 9.6966 9.7807 9.7807 11.0543 11.0543 11.7063 11.7063 12.5916 12.5916 13.6043 13.6043 k = 0.6446-0.7756-1.6988 ( 4846 PWs) bands (ev): -1.2358 -1.2358 -1.1825 -1.1825 -1.0755 -1.0755 -0.8598 -0.8598 3.9816 3.9816 4.5086 4.5086 4.6008 4.6008 4.6969 4.6969 4.9412 4.9412 5.0395 5.0395 5.3823 5.3823 5.7550 5.7550 6.0732 6.0732 6.3629 6.3629 6.4834 6.4834 6.6125 6.6125 6.8933 6.8933 7.0879 7.0879 7.4375 7.4375 7.7009 7.7009 7.9568 7.9568 8.0909 8.0909 8.3667 8.3667 8.5722 8.5722 8.6926 8.6926 9.1565 9.1565 9.7507 9.7507 9.8135 9.8135 11.0458 11.0458 11.6875 11.6875 12.6098 12.6098 13.6189 13.6189 k = 0.6383-0.7382-1.6988 ( 4852 PWs) bands (ev): -1.2474 -1.2474 -1.1971 -1.1971 -1.0700 -1.0700 -0.8575 -0.8575 3.9576 3.9576 4.5187 4.5187 4.5727 4.5727 4.6795 4.6795 4.9576 4.9576 5.0738 5.0738 5.4473 5.4473 5.7480 5.7480 6.0761 6.0761 6.3336 6.3336 6.4884 6.4884 6.6176 6.6176 6.8938 6.8938 7.0762 7.0762 7.4555 7.4555 7.7248 7.7248 7.9654 7.9654 8.0803 8.0803 8.3740 8.3740 8.5606 8.5606 8.6866 8.6866 9.1177 9.1177 9.7954 9.7954 9.8379 9.8379 11.0583 11.0583 11.6736 11.6736 12.6240 12.6240 13.6366 13.6366 k = 0.6321-0.7008-1.6988 ( 4852 PWs) bands (ev): -1.2599 -1.2599 -1.2134 -1.2134 -1.0649 -1.0649 -0.8556 -0.8556 3.9285 3.9285 4.5197 4.5197 4.5397 4.5397 4.6771 4.6771 4.9843 4.9843 5.1130 5.1130 5.5091 5.5091 5.7408 5.7408 6.0769 6.0769 6.3040 6.3040 6.4919 6.4919 6.6184 6.6184 6.8988 6.8988 7.0718 7.0718 7.4760 7.4760 7.7487 7.7487 7.9718 7.9718 8.0764 8.0764 8.3856 8.3856 8.5483 8.5483 8.6800 8.6800 9.0776 9.0776 9.8080 9.8080 9.8720 9.8720 11.0924 11.0924 11.6654 11.6654 12.6340 12.6340 13.6573 13.6573 k = 0.6258-0.6634-1.6988 ( 4860 PWs) bands (ev): -1.2730 -1.2730 -1.2308 -1.2308 -1.0609 -1.0609 -0.8541 -0.8541 3.8961 3.8961 4.4782 4.4782 4.5420 4.5420 4.6811 4.6811 5.0223 5.0223 5.1562 5.1562 5.5659 5.5659 5.7339 5.7339 6.0743 6.0743 6.2758 6.2758 6.4944 6.4944 6.6148 6.6148 6.9118 6.9118 7.0736 7.0736 7.4965 7.4965 7.7710 7.7710 7.9712 7.9712 8.0847 8.0847 8.4027 8.4027 8.5359 8.5359 8.6722 8.6722 9.0382 9.0382 9.7935 9.7935 9.9093 9.9093 11.1468 11.1468 11.6637 11.6637 12.6397 12.6397 13.6786 13.6786 k = 0.6195-0.6261-1.6988 ( 4868 PWs) bands (ev): -1.2864 -1.2864 -1.2486 -1.2486 -1.0580 -1.0580 -0.8530 -0.8530 3.8616 3.8616 4.4302 4.4302 4.5466 4.5466 4.6879 4.6879 5.0710 5.0710 5.2028 5.2028 5.6164 5.6164 5.7278 5.7278 6.0675 6.0675 6.2492 6.2492 6.4969 6.4969 6.6086 6.6086 6.9340 6.9340 7.0801 7.0801 7.5147 7.5147 7.7907 7.7907 7.9653 7.9653 8.1029 8.1029 8.4255 8.4255 8.5251 8.5251 8.6626 8.6626 9.0006 9.0006 9.7640 9.7640 9.9383 9.9383 11.2189 11.2189 11.6685 11.6685 12.6407 12.6407 13.6782 13.6783 k = 0.6132-0.5887-1.6988 ( 4868 PWs) bands (ev): -1.3000 -1.3000 -1.2667 -1.2667 -1.0562 -1.0562 -0.8523 -0.8523 3.8261 3.8261 4.3825 4.3825 4.5478 4.5478 4.6964 4.6964 5.1277 5.1277 5.2522 5.2522 5.6597 5.6597 5.7232 5.7232 6.0572 6.0572 6.2232 6.2232 6.5007 6.5007 6.6031 6.6031 6.9638 6.9638 7.0907 7.0907 7.5291 7.5291 7.8069 7.8069 7.9601 7.9601 8.1235 8.1235 8.4488 8.4488 8.5228 8.5228 8.6513 8.6513 8.9660 8.9660 9.7253 9.7253 9.9556 9.9556 11.3057 11.3057 11.6799 11.6799 12.6366 12.6366 13.6281 13.6281 k = 0.6069-0.5513-1.6988 ( 4870 PWs) bands (ev): -1.3136 -1.3136 -1.2847 -1.2847 -1.0555 -1.0555 -0.8520 -0.8520 3.7905 3.7905 4.3363 4.3363 4.5457 4.5457 4.7066 4.7066 5.1888 5.1888 5.3045 5.3045 5.6946 5.6946 5.7215 5.7215 6.0458 6.0458 6.1964 6.1964 6.5069 6.5069 6.6006 6.6006 6.9976 6.9976 7.1058 7.1058 7.5386 7.5386 7.8191 7.8191 7.9608 7.9608 8.1408 8.1408 8.4553 8.4553 8.5446 8.5446 8.6404 8.6404 8.9354 8.9354 9.6815 9.6815 9.9602 9.9602 11.4042 11.4042 11.6969 11.6969 12.6269 12.6269 13.5639 13.5639 k = 0.6006-0.5139-1.6988 ( 4866 PWs) bands (ev): -1.3273 -1.3273 -1.3023 -1.3023 -1.0558 -1.0558 -0.8521 -0.8521 3.7553 3.7553 4.2921 4.2921 4.5407 4.5407 4.7186 4.7186 5.2490 5.2490 5.3599 5.3599 5.7157 5.7157 5.7289 5.7289 6.0360 6.0360 6.1685 6.1685 6.5161 6.5161 6.6024 6.6024 7.0308 7.0308 7.1269 7.1269 7.5424 7.5424 7.8278 7.8278 7.9704 7.9704 8.1519 8.1519 8.4448 8.4448 8.5752 8.5752 8.6435 8.6435 8.9098 8.9098 9.6367 9.6367 9.9519 9.9519 11.5119 11.5119 11.7185 11.7185 12.6104 12.6104 13.4977 13.4977 k = 0.5943-0.4766-1.6988 ( 4868 PWs) bands (ev): -1.3410 -1.3410 -1.3192 -1.3192 -1.0569 -1.0569 -0.8525 -0.8525 3.7211 3.7211 4.2501 4.2501 4.5335 4.5335 4.7324 4.7324 5.3030 5.3030 5.4178 5.4178 5.7231 5.7231 5.7473 5.7473 6.0297 6.0297 6.1417 6.1417 6.5277 6.5277 6.6089 6.6089 7.0587 7.0587 7.1559 7.1559 7.5404 7.5404 7.8340 7.8340 7.9893 7.9893 8.1566 8.1566 8.4283 8.4283 8.5745 8.5745 8.6850 8.6850 8.8910 8.8910 9.5948 9.5948 9.9315 9.9315 11.6262 11.6262 11.7434 11.7434 12.5863 12.5863 13.4325 13.4325 k = 0.5880-0.4392-1.6988 ( 4866 PWs) bands (ev): -1.3547 -1.3547 -1.3352 -1.3352 -1.0586 -1.0586 -0.8532 -0.8532 3.6881 3.6881 4.2106 4.2106 4.5248 4.5248 4.7479 4.7479 5.3471 5.3471 5.4745 5.4745 5.7310 5.7310 5.7658 5.7658 6.0250 6.0250 6.1229 6.1229 6.5407 6.5407 6.6199 6.6199 7.0801 7.0801 7.1914 7.1914 7.5331 7.5331 7.8392 7.8392 8.0160 8.0160 8.1552 8.1552 8.4102 8.4102 8.5577 8.5577 8.7355 8.7355 8.8854 8.8854 9.5604 9.5604 9.9003 9.9003 11.7404 11.7404 11.7750 11.7750 12.5532 12.5532 13.3702 13.3702 k = 0.5817-0.4018-1.6988 ( 4870 PWs) bands (ev): -1.3685 -1.3685 -1.3500 -1.3500 -1.0609 -1.0609 -0.8541 -0.8541 3.6568 3.6568 4.1735 4.1735 4.5152 4.5152 4.7652 4.7652 5.3803 5.3803 5.5226 5.5226 5.7374 5.7374 5.7910 5.7910 6.0147 6.0147 6.1237 6.1237 6.5544 6.5544 6.6348 6.6348 7.0969 7.0969 7.2294 7.2294 7.5219 7.5219 7.8439 7.8439 8.0478 8.0478 8.1485 8.1485 8.3928 8.3928 8.5385 8.5385 8.7622 8.7622 8.9053 8.9053 9.5389 9.5389 9.8605 9.8605 11.7880 11.7880 11.8765 11.8765 12.5099 12.5099 13.3124 13.3124 k = 0.5755-0.3644-1.6988 ( 4864 PWs) bands (ev): -1.3823 -1.3823 -1.3635 -1.3635 -1.0636 -1.0636 -0.8552 -0.8552 3.6272 3.6272 4.1390 4.1390 4.5050 4.5050 4.7841 4.7841 5.4032 5.4032 5.5553 5.5553 5.7388 5.7388 5.8284 5.8284 5.9986 5.9986 6.1493 6.1493 6.5685 6.5685 6.6525 6.6525 7.1112 7.1112 7.2663 7.2663 7.5083 7.5083 7.8473 7.8473 8.0808 8.0808 8.1374 8.1374 8.3778 8.3778 8.5222 8.5222 8.7601 8.7601 8.9451 8.9451 9.5355 9.5355 9.8150 9.8150 11.8114 11.8114 12.0027 12.0027 12.4555 12.4555 13.2606 13.2606 k = 0.5692-0.3270-1.6988 ( 4854 PWs) bands (ev): -1.3958 -1.3958 -1.3756 -1.3756 -1.0666 -1.0666 -0.8564 -0.8564 3.5996 3.5996 4.1072 4.1072 4.4948 4.4948 4.8044 4.8044 5.4176 5.4176 5.5711 5.5711 5.7342 5.7342 5.8730 5.8730 5.9867 5.9867 6.1951 6.1951 6.5834 6.5834 6.6717 6.6717 7.1243 7.1243 7.2998 7.2998 7.4941 7.4941 7.8484 7.8484 8.1054 8.1054 8.1270 8.1270 8.3659 8.3659 8.5137 8.5137 8.7440 8.7440 8.9823 8.9823 9.5517 9.5517 9.7704 9.7704 11.8303 11.8303 12.1314 12.1314 12.3896 12.3896 13.2156 13.2156 k = 0.5629-0.2897-1.6988 ( 4862 PWs) bands (ev): -1.4089 -1.4089 -1.3866 -1.3866 -1.0697 -1.0697 -0.8577 -0.8577 3.5741 3.5741 4.0780 4.0780 4.4847 4.4847 4.8259 4.8259 5.4252 5.4252 5.5736 5.5736 5.7223 5.7223 5.9105 5.9105 5.9936 5.9936 6.2564 6.2564 6.5994 6.5994 6.6914 6.6914 7.1368 7.1368 7.3286 7.3286 7.4812 7.4812 7.8455 7.8455 8.0963 8.0963 8.1385 8.1385 8.3554 8.3554 8.5188 8.5188 8.7223 8.7223 9.0064 9.0064 9.5721 9.5721 9.7456 9.7456 11.8444 11.8444 12.2589 12.2589 12.3142 12.3142 13.1778 13.1778 k = 0.5566-0.2523-1.6988 ( 4860 PWs) bands (ev): -1.4213 -1.4213 -1.3964 -1.3964 -1.0729 -1.0729 -0.8590 -0.8590 3.5507 3.5507 4.0516 4.0516 4.4751 4.4751 4.8486 4.8486 5.4277 5.4277 5.5678 5.5678 5.7026 5.7026 5.9279 5.9279 6.0292 6.0292 6.3280 6.3280 6.6174 6.6174 6.7107 6.7107 7.1490 7.1490 7.3520 7.3520 7.4717 7.4717 7.8375 7.8375 8.0754 8.0754 8.1484 8.1484 8.3435 8.3435 8.5403 8.5403 8.6993 8.6993 9.0177 9.0177 9.5583 9.5583 9.7768 9.7768 11.8530 11.8530 12.2243 12.2243 12.3903 12.3903 13.1467 13.1467 k = 0.5503-0.2149-1.6988 ( 4856 PWs) bands (ev): -1.4327 -1.4327 -1.4052 -1.4052 -1.0760 -1.0760 -0.8603 -0.8603 3.5297 3.5297 4.0279 4.0279 4.4661 4.4661 4.8721 4.8721 5.4265 5.4265 5.5578 5.5578 5.6769 5.6769 5.9356 5.9356 6.0794 6.0794 6.4039 6.4039 6.6384 6.6384 6.7291 6.7291 7.1611 7.1611 7.3691 7.3691 7.4678 7.4678 7.8235 7.8235 8.0528 8.0528 8.1483 8.1483 8.3299 8.3299 8.5702 8.5702 8.6819 8.6819 9.0211 9.0211 9.5114 9.5114 9.8582 9.8582 11.8549 11.8549 12.1307 12.1307 12.5155 12.5155 13.1216 13.1216 k = 0.5440-0.1775-1.6988 ( 4860 PWs) bands (ev): -1.4430 -1.4430 -1.4129 -1.4129 -1.0789 -1.0789 -0.8616 -0.8616 3.5110 3.5110 4.0069 4.0069 4.4579 4.4579 4.8960 4.8960 5.4225 5.4225 5.5460 5.5460 5.6482 5.6482 5.9417 5.9417 6.1322 6.1322 6.4768 6.4768 6.6644 6.6644 6.7470 6.7470 7.1732 7.1732 7.3791 7.3791 7.4715 7.4715 7.8036 7.8036 8.0300 8.0300 8.1395 8.1395 8.3166 8.3166 8.5833 8.5833 8.6902 8.6902 9.0207 9.0207 9.4541 9.4541 9.9630 9.9630 11.8467 11.8467 12.0354 12.0354 12.6365 12.6365 13.1017 13.1017 k = 0.5377-0.1402-1.6988 ( 4856 PWs) bands (ev): -1.4522 -1.4522 -1.4197 -1.4197 -1.0816 -1.0816 -0.8628 -0.8628 3.4947 3.4947 3.9887 3.9887 4.4505 4.4505 4.9200 4.9200 5.4162 5.4162 5.5341 5.5341 5.6192 5.6192 5.9475 5.9475 6.1833 6.1833 6.5383 6.5383 6.6959 6.6959 6.7674 6.7674 7.1856 7.1856 7.3831 7.3831 7.4826 7.4826 7.7794 7.7794 8.0075 8.0075 8.1233 8.1233 8.3061 8.3061 8.5672 8.5672 8.7307 8.7307 9.0193 9.0193 9.3962 9.3962 10.0788 10.0788 11.8158 11.8158 11.9535 11.9535 12.7508 12.7508 13.0861 13.0861 k = 0.5314-0.1028-1.6988 ( 4858 PWs) bands (ev): -1.4600 -1.4600 -1.4255 -1.4255 -1.0840 -1.0840 -0.8638 -0.8638 3.4808 3.4808 3.9733 3.9733 4.4441 4.4441 4.9435 4.9435 5.4078 5.4078 5.5233 5.5233 5.5921 5.5921 5.9528 5.9528 6.2306 6.2306 6.5831 6.5831 6.7254 6.7254 6.7985 6.7985 7.1989 7.1989 7.3828 7.3828 7.4990 7.4990 7.7538 7.7538 7.9850 7.9850 8.1012 8.1012 8.2998 8.2998 8.5399 8.5399 8.7813 8.7813 9.0182 9.0182 9.3422 9.3422 10.1994 10.1994 11.7429 11.7429 11.9075 11.9075 12.8557 12.8557 13.0740 13.0740 k = 0.5252-0.0654-1.6988 ( 4868 PWs) bands (ev): -1.4665 -1.4665 -1.4302 -1.4302 -1.0860 -1.0860 -0.8647 -0.8647 3.4694 3.4694 3.9607 3.9607 4.4388 4.4388 4.9655 4.9655 5.3979 5.3979 5.5143 5.5143 5.5685 5.5685 5.9574 5.9574 6.2722 6.2722 6.6134 6.6134 6.7426 6.7426 6.8440 6.8440 7.2140 7.2140 7.3789 7.3789 7.5177 7.5177 7.7313 7.7313 7.9621 7.9621 8.0752 8.0752 8.2978 8.2978 8.5108 8.5108 8.8304 8.8304 9.0172 9.0172 9.2952 9.2952 10.3200 10.3200 11.6431 11.6431 11.8868 11.8868 12.9483 12.9483 13.0649 13.0649 k = 0.5189-0.0280-1.6988 ( 4872 PWs) bands (ev): -1.4717 -1.4717 -1.4339 -1.4339 -1.0877 -1.0877 -0.8655 -0.8655 3.4605 3.4605 3.9509 3.9509 4.4346 4.4346 4.9850 4.9850 5.3873 5.3873 5.5077 5.5077 5.5493 5.5493 5.9610 5.9610 6.3067 6.3067 6.6343 6.6343 6.7506 6.7506 6.8917 6.8917 7.2325 7.2325 7.3705 7.3705 7.5344 7.5344 7.7178 7.7178 7.9382 7.9382 8.0482 8.0482 8.2992 8.2992 8.4838 8.4838 8.8732 8.8732 9.0153 9.0153 9.2577 9.2577 10.4351 10.4351 11.5388 11.5388 11.8745 11.8745 13.0249 13.0249 13.0587 13.0587 k = 0.5126 0.0094-1.6988 ( 4872 PWs) bands (ev): -1.4753 -1.4753 -1.4365 -1.4365 -1.0889 -1.0889 -0.8660 -0.8660 3.4542 3.4542 3.9438 3.9438 4.4316 4.4316 5.0006 5.0006 5.3776 5.3776 5.5034 5.5034 5.5350 5.5350 5.9637 5.9637 6.3326 6.3326 6.6485 6.6485 6.7539 6.7539 6.9305 6.9305 7.2551 7.2551 7.3563 7.3563 7.5450 7.5450 7.7179 7.7179 7.9133 7.9133 8.0246 8.0246 8.3027 8.3027 8.4614 8.4614 8.9077 8.9077 9.0111 9.0111 9.2314 9.2314 10.5369 10.5369 11.4436 11.4436 11.8661 11.8661 13.0527 13.0527 13.0845 13.0845 k = 0.5063 0.0467-1.6988 ( 4872 PWs) bands (ev): -1.4776 -1.4776 -1.4381 -1.4381 -1.0896 -1.0896 -0.8663 -0.8663 3.4504 3.4504 3.9396 3.9396 4.4298 4.4298 5.0108 5.0108 5.3706 5.3706 5.5014 5.5014 5.5261 5.5261 5.9653 5.9653 6.3486 6.3486 6.6570 6.6570 6.7551 6.7551 6.9549 6.9549 7.2815 7.2815 7.3357 7.3357 7.5488 7.5488 7.7282 7.7282 7.8908 7.8908 8.0087 8.0087 8.3062 8.3062 8.4463 8.4463 8.9322 8.9322 9.0045 9.0045 9.2164 9.2164 10.6115 10.6115 11.3726 11.3726 11.8609 11.8609 13.0505 13.0505 13.1204 13.1204 k = 0.5000 0.0841-1.6988 ( 4870 PWs) bands (ev): -1.4783 -1.4783 -1.4386 -1.4386 -1.0898 -1.0898 -0.8664 -0.8664 3.4491 3.4491 3.9382 3.9382 4.4292 4.4292 5.0144 5.0144 5.3680 5.3680 5.5008 5.5008 5.5230 5.5230 5.9658 5.9658 6.3541 6.3541 6.6599 6.6599 6.7553 6.7553 6.9632 6.9632 7.3055 7.3055 7.3138 7.3138 7.5495 7.5495 7.7350 7.7350 7.8807 7.8807 8.0032 8.0032 8.3077 8.3077 8.4409 8.4409 8.9420 8.9420 9.0005 9.0005 9.2116 9.2116 10.6399 10.6399 11.3453 11.3453 11.8591 11.8591 13.0497 13.0497 13.1326 13.1326 k = 0.5000 0.0841-1.6988 ( 4870 PWs) bands (ev): -1.4783 -1.4783 -1.4386 -1.4386 -1.0898 -1.0898 -0.8664 -0.8664 3.4491 3.4491 3.9382 3.9382 4.4292 4.4292 5.0144 5.0144 5.3680 5.3680 5.5008 5.5008 5.5230 5.5230 5.9658 5.9658 6.3541 6.3541 6.6599 6.6599 6.7553 6.7553 6.9632 6.9632 7.3055 7.3055 7.3138 7.3138 7.5495 7.5495 7.7350 7.7350 7.8807 7.8807 8.0032 8.0032 8.3077 8.3077 8.4409 8.4409 8.9420 8.9420 9.0005 9.0005 9.2116 9.2116 10.6399 10.6399 11.3453 11.3453 11.8591 11.8591 13.0497 13.0497 13.1326 13.1326 k = 0.5327 0.0896-1.6889 ( 4878 PWs) bands (ev): -1.4795 -1.4795 -1.4376 -1.4376 -1.0896 -1.0896 -0.8667 -0.8667 3.4497 3.4497 3.9385 3.9385 4.4292 4.4292 5.0143 5.0143 5.3586 5.3586 5.4983 5.4983 5.5333 5.5333 5.9681 5.9681 6.3533 6.3533 6.6544 6.6544 6.7543 6.7543 6.9694 6.9694 7.3048 7.3048 7.3165 7.3165 7.5483 7.5483 7.7353 7.7353 7.8799 7.8799 8.0042 8.0042 8.3067 8.3067 8.4412 8.4412 8.9411 8.9411 9.0036 9.0036 9.2106 9.2106 10.6357 10.6357 11.3501 11.3501 11.8493 11.8493 13.0573 13.0573 13.1299 13.1299 k = 0.5654 0.0951-1.6790 ( 4870 PWs) bands (ev): -1.4828 -1.4828 -1.4348 -1.4348 -1.0887 -1.0887 -0.8676 -0.8676 3.4515 3.4515 3.9392 3.9392 4.4292 4.4292 5.0143 5.0143 5.3346 5.3346 5.4959 5.4959 5.5549 5.5549 5.9749 5.9749 6.3512 6.3512 6.6389 6.6389 6.7521 6.7521 6.9861 6.9861 7.3043 7.3043 7.3229 7.3229 7.5451 7.5451 7.7362 7.7362 7.8777 7.8777 8.0069 8.0069 8.3035 8.3035 8.4422 8.4422 8.9386 8.9386 9.0127 9.0127 9.2078 9.2078 10.6232 10.6232 11.3641 11.3641 11.8217 11.8217 13.0714 13.0714 13.1290 13.1290 k = 0.5981 0.1006-1.6691 ( 4869 PWs) bands (ev): -1.4875 -1.4875 -1.4311 -1.4311 -1.0873 -1.0873 -0.8690 -0.8690 3.4545 3.4545 3.9404 3.9404 4.4291 4.4291 5.0142 5.0142 5.3027 5.3027 5.4949 5.4949 5.5797 5.5797 5.9859 5.9859 6.3476 6.3476 6.6160 6.6160 6.7500 6.7500 7.0095 7.0095 7.3051 7.3051 7.3316 7.3316 7.5406 7.5406 7.7370 7.7370 7.8739 7.8739 8.0112 8.0112 8.2982 8.2982 8.4439 8.4439 8.9350 8.9350 9.0269 9.0269 9.2036 9.2036 10.6030 10.6030 11.3867 11.3867 11.7803 11.7803 13.0634 13.0634 13.1548 13.1548 k = 0.6308 0.1061-1.6593 ( 4872 PWs) bands (ev): -1.4930 -1.4930 -1.4268 -1.4268 -1.0853 -1.0853 -0.8710 -0.8710 3.4586 3.4586 3.9421 3.9421 4.4291 4.4291 5.0140 5.0140 5.2674 5.2674 5.4947 5.4947 5.6046 5.6046 6.0006 6.0006 6.3428 6.3428 6.5888 6.5888 6.7486 6.7486 7.0358 7.0358 7.3069 7.3069 7.3421 7.3421 7.5363 7.5363 7.7374 7.7374 7.8685 7.8685 8.0170 8.0170 8.2911 8.2911 8.4463 8.4463 8.9306 8.9306 9.0455 9.0455 9.1986 9.1986 10.5760 10.5760 11.4164 11.4164 11.7308 11.7308 13.0328 13.0328 13.2035 13.2035 k = 0.6635 0.1116-1.6494 ( 4868 PWs) bands (ev): -1.4991 -1.4991 -1.4226 -1.4226 -1.0828 -1.0828 -0.8734 -0.8734 3.4636 3.4636 3.9442 3.9442 4.4289 4.4289 5.0139 5.0139 5.2310 5.2310 5.4949 5.4949 5.6280 5.6280 6.0181 6.0181 6.3369 6.3369 6.5600 6.5600 6.7477 6.7477 7.0623 7.0623 7.3091 7.3091 7.3545 7.3545 7.5335 7.5335 7.7366 7.7366 7.8616 7.8616 8.0238 8.0238 8.2823 8.2823 8.4495 8.4495 8.9255 8.9255 9.0672 9.0672 9.1943 9.1943 10.5430 10.5430 11.4508 11.4508 11.6797 11.6797 12.9900 12.9900 13.2614 13.2614 k = 0.6635 0.1116-1.6494 ( 4868 PWs) bands (ev): -1.4991 -1.4991 -1.4226 -1.4226 -1.0828 -1.0828 -0.8734 -0.8734 3.4636 3.4636 3.9442 3.9442 4.4289 4.4289 5.0139 5.0139 5.2310 5.2310 5.4949 5.4949 5.6280 5.6280 6.0181 6.0181 6.3369 6.3369 6.5600 6.5600 6.7477 6.7477 7.0623 7.0623 7.3091 7.3091 7.3545 7.3545 7.5335 7.5335 7.7366 7.7366 7.8616 7.8616 8.0238 8.0238 8.2823 8.2823 8.4495 8.4495 8.9255 8.9255 9.0672 9.0672 9.1943 9.1943 10.5430 10.5430 11.4508 11.4508 11.6797 11.6797 12.9900 12.9900 13.2614 13.2614 k = 0.6599 0.1110-1.6116 ( 4863 PWs) bands (ev): -1.5275 -1.5275 -1.4082 -1.4082 -1.0890 -1.0890 -0.8669 -0.8669 3.4730 3.4730 3.9447 3.9447 4.4396 4.4396 5.0152 5.0152 5.2236 5.2236 5.4935 5.4935 5.6069 5.6069 6.0510 6.0510 6.3473 6.3473 6.5110 6.5110 6.7451 6.7451 7.0575 7.0575 7.2980 7.2980 7.3796 7.3796 7.5433 7.5433 7.7490 7.7490 7.8726 7.8726 8.0277 8.0277 8.2826 8.2826 8.4685 8.4685 8.9393 8.9393 9.0240 9.0240 9.2105 9.2105 10.5804 10.5804 11.4384 11.4384 11.6340 11.6340 13.0016 13.0016 13.2878 13.2878 k = 0.6562 0.1104-1.5739 ( 4859 PWs) bands (ev): -1.5615 -1.5615 -1.4024 -1.4024 -1.0905 -1.0905 -0.8609 -0.8609 3.4879 3.4879 3.9487 3.9487 4.4546 4.4546 5.0161 5.0161 5.2108 5.2108 5.4902 5.4902 5.5911 5.5911 6.0854 6.0854 6.3513 6.3513 6.4664 6.4664 6.7392 6.7392 7.0437 7.0437 7.2771 7.2771 7.4180 7.4180 7.5531 7.5531 7.7577 7.7577 7.8826 7.8826 8.0464 8.0464 8.2837 8.2837 8.4897 8.4897 8.9548 8.9548 8.9880 8.9880 9.2404 9.2404 10.6186 10.6186 11.4270 11.4270 11.5916 11.5916 13.0118 13.0118 13.3087 13.3087 k = 0.6526 0.1098-1.5361 ( 4859 PWs) bands (ev): -1.6003 -1.6003 -1.4053 -1.4053 -1.0878 -1.0878 -0.8554 -0.8554 3.5080 3.5080 3.9565 3.9565 4.4735 4.4735 5.0167 5.0167 5.1938 5.1938 5.4842 5.4842 5.5813 5.5813 6.1164 6.1164 6.3374 6.3374 6.4452 6.4452 6.7286 6.7286 7.0247 7.0247 7.2525 7.2525 7.4604 7.4604 7.5633 7.5633 7.7561 7.7561 7.8945 7.8945 8.0785 8.0785 8.2887 8.2887 8.5103 8.5103 8.9482 8.9482 8.9869 8.9869 9.2816 9.2816 10.6564 10.6564 11.4170 11.4170 11.5543 11.5543 13.0207 13.0207 13.3233 13.3233 k = 0.6490 0.1092-1.4983 ( 4860 PWs) bands (ev): -1.6434 -1.6434 -1.4160 -1.4160 -1.0820 -1.0820 -0.8504 -0.8504 3.5328 3.5328 3.9683 3.9683 4.4959 4.4959 5.0169 5.0169 5.1738 5.1738 5.4751 5.4751 5.5770 5.5770 6.1364 6.1364 6.3096 6.3096 6.4522 6.4522 6.7129 6.7129 7.0033 7.0033 7.2270 7.2270 7.5015 7.5015 7.5739 7.5739 7.7455 7.7455 7.9096 7.9096 8.1181 8.1181 8.3015 8.3015 8.5265 8.5265 8.9337 8.9337 9.0108 9.0108 9.3320 9.3320 10.6923 10.6923 11.4091 11.4091 11.5236 11.5236 13.0282 13.0282 13.3314 13.3314 k = 0.6453 0.1086-1.4606 ( 4863 PWs) bands (ev): -1.6900 -1.6900 -1.4334 -1.4334 -1.0745 -1.0745 -0.8458 -0.8458 3.5616 3.5616 3.9844 3.9844 4.5211 4.5211 5.0168 5.0168 5.1523 5.1523 5.4637 5.4637 5.5758 5.5758 6.1356 6.1356 6.2919 6.2919 6.4736 6.4736 6.6928 6.6928 6.9808 6.9808 7.2027 7.2027 7.5352 7.5352 7.5833 7.5833 7.7356 7.7356 7.9268 7.9268 8.1580 8.1580 8.3246 8.3246 8.5360 8.5360 8.9337 8.9337 9.0407 9.0407 9.3899 9.3899 10.7249 10.7249 11.4036 11.4036 11.5012 11.5012 13.0344 13.0344 13.3332 13.3332 k = 0.6417 0.1080-1.4228 ( 4864 PWs) bands (ev): -1.7397 -1.7397 -1.4561 -1.4561 -1.0669 -1.0669 -0.8416 -0.8416 3.5941 3.5941 4.0049 4.0049 4.5485 4.5485 5.0162 5.0162 5.1304 5.1304 5.4507 5.4507 5.5749 5.5749 6.1151 6.1151 6.2915 6.2915 6.5012 6.5012 6.6695 6.6695 6.9577 6.9577 7.1809 7.1809 7.5527 7.5527 7.5894 7.5894 7.7407 7.7407 7.9453 7.9453 8.1931 8.1931 8.3571 8.3571 8.5398 8.5398 8.9500 8.9500 9.0764 9.0764 9.4535 9.4535 10.7533 10.7533 11.4001 11.4001 11.4894 11.4894 13.0393 13.0393 13.3290 13.3290 k = 0.6381 0.1073-1.3851 ( 4868 PWs) bands (ev): -1.7919 -1.7919 -1.4832 -1.4832 -1.0603 -1.0603 -0.8375 -0.8375 3.6295 3.6295 4.0296 4.0296 4.5778 4.5778 5.0151 5.0151 5.1094 5.1094 5.4367 5.4367 5.5711 5.5711 6.0897 6.0897 6.2988 6.2988 6.5293 6.5293 6.6458 6.6458 6.9341 6.9341 7.1626 7.1626 7.5405 7.5405 7.6025 7.6025 7.7670 7.7670 7.9653 7.9653 8.2218 8.2218 8.3933 8.3933 8.5438 8.5438 8.9802 8.9802 9.1187 9.1187 9.5213 9.5213 10.7769 10.7769 11.3966 11.3966 11.4912 11.4912 13.0430 13.0430 13.3195 13.3195 k = 0.6344 0.1067-1.3473 ( 4881 PWs) bands (ev): -1.8462 -1.8462 -1.5137 -1.5137 -1.0556 -1.0556 -0.8336 -0.8336 3.6673 3.6673 4.0583 4.0583 4.6085 4.6085 5.0137 5.0137 5.0900 5.0900 5.4217 5.4217 5.5620 5.5620 6.0710 6.0710 6.3060 6.3060 6.5479 6.5479 6.6290 6.6290 6.9106 6.9106 7.1478 7.1478 7.5083 7.5083 7.6224 7.6224 7.8072 7.8072 7.9879 7.9879 8.2446 8.2446 8.4251 8.4251 8.5555 8.5555 9.0213 9.0213 9.1675 9.1675 9.5919 9.5919 10.7963 10.7963 11.3916 11.3916 11.5086 11.5086 13.0453 13.0453 13.3050 13.3050 k = 0.6308 0.1061-1.3096 ( 4880 PWs) bands (ev): -1.9022 -1.9022 -1.5470 -1.5470 -1.0534 -1.0534 -0.8296 -0.8296 3.7067 3.7067 4.0903 4.0903 4.6404 4.6404 5.0118 5.0118 5.0728 5.0728 5.4056 5.4056 5.5461 5.5461 6.0647 6.0647 6.3103 6.3103 6.5423 6.5423 6.6316 6.6316 6.8881 6.8881 7.1358 7.1358 7.4690 7.4690 7.6450 7.6450 7.8540 7.8540 8.0142 8.0142 8.2617 8.2617 8.4496 8.4496 8.5787 8.5787 9.0703 9.0703 9.2225 9.2225 9.6644 9.6644 10.8129 10.8129 11.3856 11.3856 11.5402 11.5402 13.0464 13.0464 13.2863 13.2863 k = 0.6272 0.1055-1.2718 ( 4876 PWs) bands (ev): -1.9595 -1.9595 -1.5825 -1.5825 -1.0541 -1.0541 -0.8254 -0.8254 3.7472 3.7472 4.1249 4.1249 4.6737 4.6737 5.0095 5.0095 5.0580 5.0580 5.3884 5.3884 5.5242 5.5242 6.0721 6.0721 6.3110 6.3110 6.5174 6.5174 6.6470 6.6470 6.8677 6.8677 7.1254 7.1254 7.4285 7.4285 7.6684 7.6684 7.9048 7.9048 8.0447 8.0447 8.2738 8.2738 8.4717 8.4717 8.6093 8.6093 9.1253 9.1253 9.2826 9.2826 9.7378 9.7378 10.8290 10.8290 11.3800 11.3800 11.5833 11.5833 13.0462 13.0462 13.2637 13.2637 k = 0.6235 0.1049-1.2341 ( 4883 PWs) bands (ev): -2.0178 -2.0178 -1.6199 -1.6199 -1.0578 -1.0578 -0.8210 -0.8210 3.7881 3.7881 4.1612 4.1612 4.7081 4.7081 5.0072 5.0072 5.0457 5.0457 5.3698 5.3698 5.4984 5.4984 6.0915 6.0915 6.3087 6.3087 6.4855 6.4855 6.6621 6.6621 6.8502 6.8502 7.1150 7.1150 7.3904 7.3904 7.6904 7.6904 7.9599 7.9599 8.0792 8.0792 8.2836 8.2836 8.4965 8.4965 8.6423 8.6423 9.1841 9.1841 9.3467 9.3467 9.8114 9.8114 10.8466 10.8466 11.3758 11.3758 11.6355 11.6355 13.0448 13.0448 13.2379 13.2379 k = 0.6199 0.1043-1.1963 ( 4864 PWs) bands (ev): -2.0768 -2.0768 -1.6586 -1.6586 -1.0646 -1.0646 -0.8163 -0.8163 3.8287 3.8287 4.1984 4.1984 4.7434 4.7434 5.0055 5.0055 5.0357 5.0357 5.3497 5.3497 5.4717 5.4717 6.1192 6.1192 6.3049 6.3049 6.4507 6.4507 6.6728 6.6728 6.8360 6.8360 7.1033 7.1033 7.3573 7.3573 7.7089 7.7089 8.0201 8.0201 8.1161 8.1161 8.2949 8.2949 8.5251 8.5251 8.6753 8.6753 9.2447 9.2447 9.4138 9.4138 9.8844 9.8844 10.8676 10.8676 11.3737 11.3737 11.6943 11.6943 13.0423 13.0423 13.2093 13.2093 k = 0.6163 0.1037-1.1586 ( 4862 PWs) bands (ev): -2.1362 -2.1362 -1.6984 -1.6984 -1.0744 -1.0744 -0.8115 -0.8115 3.8682 3.8682 4.2359 4.2359 4.7777 4.7777 5.0054 5.0054 5.0284 5.0284 5.3287 5.3287 5.4465 5.4465 6.1490 6.1490 6.3031 6.3031 6.4149 6.4149 6.6787 6.6787 6.8244 6.8244 7.0895 7.0895 7.3313 7.3313 7.7230 7.7230 8.0843 8.0843 8.1537 8.1537 8.3126 8.3126 8.5567 8.5567 8.7088 8.7088 9.3048 9.3048 9.4837 9.4837 9.9563 9.9563 10.8934 10.8934 11.3743 11.3743 11.7581 11.7581 13.0386 13.0386 13.1786 13.1786 k = 0.6126 0.1031-1.1208 ( 4862 PWs) bands (ev): -2.1957 -2.1957 -1.7391 -1.7391 -1.0868 -1.0868 -0.8066 -0.8066 3.9058 3.9058 4.2737 4.2737 4.8068 4.8068 5.0045 5.0045 5.0298 5.0298 5.3080 5.3080 5.4240 5.4240 6.1709 6.1709 6.3099 6.3099 6.3802 6.3802 6.6806 6.6806 6.8142 6.8142 7.0742 7.0742 7.3133 7.3133 7.7329 7.7329 8.1472 8.1472 8.1923 8.1923 8.3412 8.3412 8.5900 8.5900 8.7440 8.7440 9.3626 9.3626 9.5562 9.5562 10.0265 10.0265 10.9243 10.9243 11.3783 11.3783 11.8249 11.8249 13.0339 13.0339 13.1467 13.1467 k = 0.6090 0.1025-1.0831 ( 4861 PWs) bands (ev): -2.2551 -2.2551 -1.7804 -1.7804 -1.1016 -1.1016 -0.8018 -0.8018 3.9405 3.9405 4.3121 4.3121 4.8248 4.8248 4.9974 4.9974 5.0504 5.0504 5.2890 5.2890 5.4045 5.4045 6.1752 6.1752 6.3210 6.3210 6.3588 6.3588 6.6796 6.6796 6.8045 6.8045 7.0593 7.0593 7.3028 7.3028 7.7405 7.7405 8.1953 8.1953 8.2387 8.2387 8.3840 8.3840 8.6247 8.6247 8.7826 8.7826 9.4171 9.4171 9.6313 9.6313 10.0945 10.0945 10.9601 10.9601 11.3865 11.3865 11.8932 11.8932 13.0283 13.0283 13.1144 13.1144 k = 0.6054 0.1018-1.0453 ( 4855 PWs) bands (ev): -2.3141 -2.3141 -1.8220 -1.8220 -1.1184 -1.1184 -0.7972 -0.7972 3.9715 3.9715 4.3520 4.3520 4.8280 4.8280 4.9868 4.9868 5.0901 5.0901 5.2731 5.2731 5.3876 5.3876 6.1625 6.1625 6.2998 6.2998 6.3847 6.3847 6.6760 6.6760 6.7957 6.7957 7.0472 7.0472 7.2986 7.2986 7.7481 7.7481 8.2268 8.2268 8.2898 8.2898 8.4407 8.4407 8.6614 8.6614 8.8260 8.8260 9.4686 9.4686 9.7087 9.7087 10.1596 10.1596 10.9995 10.9995 11.3997 11.3997 11.9611 11.9611 13.0213 13.0213 13.0837 13.0837 k = 0.6017 0.1012-1.0076 ( 4857 PWs) bands (ev): -2.3727 -2.3727 -1.8638 -1.8638 -1.1369 -1.1369 -0.7929 -0.7929 3.9982 3.9982 4.3941 4.3941 4.8181 4.8181 4.9745 4.9745 5.1436 5.1436 5.2619 5.2619 5.3731 5.3731 6.1385 6.1385 6.2710 6.2710 6.4242 6.4242 6.6700 6.6700 6.7900 6.7900 7.0401 7.0401 7.2992 7.2992 7.7582 7.7582 8.2524 8.2524 8.3351 8.3351 8.5045 8.5045 8.7028 8.7028 8.8751 8.8751 9.5184 9.5184 9.7879 9.7879 10.2215 10.2215 11.0409 11.0409 11.4189 11.4189 12.0266 12.0266 13.0115 13.0115 13.0580 13.0580 k = 0.5981 0.1006-0.9698 ( 4853 PWs) bands (ev): -2.4305 -2.4305 -1.9055 -1.9055 -1.1569 -1.1569 -0.7890 -0.7890 4.0206 4.0206 4.4389 4.4389 4.7990 4.7990 4.9613 4.9613 5.1989 5.1989 5.2615 5.2615 5.3609 5.3609 6.1070 6.1070 6.2452 6.2452 6.4584 6.4584 6.6618 6.6618 6.7914 6.7914 7.0392 7.0392 7.3033 7.3033 7.7735 7.7735 8.2760 8.2760 8.3737 8.3737 8.5646 8.5646 8.7523 8.7523 8.9299 8.9299 9.5690 9.5690 9.8682 9.8682 10.2797 10.2797 11.0823 11.0823 11.4447 11.4447 12.0872 12.0872 12.9948 12.9948 13.0437 13.0437 k = 0.5945 0.1000-0.9321 ( 4859 PWs) bands (ev): -2.4874 -2.4874 -1.9471 -1.9471 -1.1780 -1.1780 -0.7854 -0.7854 4.0389 4.0389 4.4867 4.4867 4.7739 4.7739 4.9476 4.9476 5.2215 5.2215 5.2985 5.2985 5.3539 5.3539 6.0706 6.0706 6.2234 6.2234 6.4783 6.4783 6.6535 6.6535 6.8036 6.8036 7.0449 7.0449 7.3098 7.3098 7.7962 7.7962 8.2989 8.2989 8.4070 8.4070 8.6140 8.6140 8.8106 8.8106 8.9903 8.9903 9.6235 9.6235 9.9488 9.9488 10.3339 10.3339 11.1220 11.1220 11.4777 11.4777 12.1402 12.1402 12.9717 12.9717 13.0429 13.0429 k = 0.5908 0.0994-0.8943 ( 4865 PWs) bands (ev): -2.5432 -2.5432 -1.9883 -1.9883 -1.2000 -1.2000 -0.7823 -0.7823 4.0538 4.0538 4.5368 4.5368 4.7453 4.7453 4.9337 4.9337 5.2195 5.2195 5.3265 5.3265 5.3864 5.3864 6.0314 6.0314 6.2053 6.2053 6.4794 6.4794 6.6477 6.6477 6.8266 6.8266 7.0571 7.0571 7.3184 7.3184 7.8282 7.8282 8.3214 8.3214 8.4364 8.4364 8.6529 8.6529 8.8732 8.8732 9.0546 9.0546 9.6855 9.6855 10.0286 10.0286 10.3841 10.3841 11.1587 11.1587 11.5177 11.5177 12.1825 12.1825 12.9469 12.9469 13.0541 13.0541 k = 0.5872 0.0988-0.8566 ( 4859 PWs) bands (ev): -2.5978 -2.5978 -2.0290 -2.0290 -1.2225 -1.2225 -0.7797 -0.7797 4.0660 4.0660 4.5881 4.5881 4.7157 4.7157 4.9199 4.9199 5.2134 5.2134 5.3209 5.3209 5.4586 5.4586 5.9914 5.9914 6.1907 6.1907 6.4641 6.4641 6.6449 6.6449 6.8564 6.8564 7.0759 7.0759 7.3294 7.3294 7.8704 7.8704 8.3433 8.3433 8.4630 8.4630 8.6848 8.6848 8.9347 8.9347 9.1205 9.1205 9.7582 9.7582 10.1065 10.1065 10.4308 10.4308 11.1916 11.1916 11.5639 11.5639 12.2121 12.2121 12.9220 12.9220 13.0777 13.0777 k = 0.5836 0.0982-0.8188 ( 4859 PWs) bands (ev): -2.6510 -2.6510 -2.0690 -2.0690 -1.2454 -1.2454 -0.7776 -0.7776 4.0766 4.0766 4.6349 4.6349 4.6906 4.6906 4.9063 4.9063 5.2062 5.2062 5.3120 5.3120 5.5339 5.5339 5.9526 5.9526 6.1794 6.1794 6.4383 6.4383 6.6439 6.6439 6.8874 6.8874 7.1008 7.1008 7.3438 7.3438 7.9229 7.9229 8.3645 8.3645 8.4881 8.4881 8.7126 8.7126 8.9915 8.9915 9.1851 9.1851 9.8434 9.8434 10.1812 10.1812 10.4750 10.4750 11.2208 11.2208 11.6151 11.6151 12.2280 12.2280 12.8967 12.8967 13.1143 13.1143 k = 0.5799 0.0976-0.7811 ( 4853 PWs) bands (ev): -2.7027 -2.7027 -2.1083 -2.1083 -1.2685 -1.2685 -0.7760 -0.7760 4.0861 4.0861 4.6388 4.6388 4.7079 4.7079 4.8935 4.8935 5.1985 5.1985 5.3023 5.3023 5.6045 5.6045 5.9176 5.9176 6.1715 6.1715 6.4071 6.4071 6.6438 6.6438 6.9156 6.9156 7.1306 7.1306 7.3631 7.3631 7.9848 7.9848 8.3844 8.3844 8.5132 8.5132 8.7384 8.7384 9.0423 9.0423 9.2468 9.2468 9.9408 9.9408 10.2508 10.2508 10.5186 10.5186 11.2465 11.2465 11.6701 11.6701 12.2316 12.2316 12.8706 12.8706 13.1629 13.1629 k = 0.5763 0.0970-0.7433 ( 4854 PWs) bands (ev): -2.7529 -2.7529 -2.1467 -2.1467 -1.2916 -1.2916 -0.7749 -0.7749 4.0954 4.0954 4.6115 4.6115 4.7542 4.7542 4.8832 4.8832 5.1902 5.1902 5.2919 5.2919 5.6630 5.6630 5.8920 5.8920 6.1675 6.1675 6.3742 6.3742 6.6445 6.6445 6.9393 6.9393 7.1633 7.1633 7.3888 7.3888 8.0541 8.0541 8.4028 8.4028 8.5400 8.5400 8.7635 8.7635 9.0864 9.0864 9.3056 9.3056 10.0479 10.0479 10.3133 10.3133 10.5639 10.5639 11.2698 11.2698 11.7270 11.7270 12.2256 12.2256 12.8430 12.8430 13.2210 13.2210 k = 0.5727 0.0963-0.7056 ( 4856 PWs) bands (ev): -2.8013 -2.8013 -2.1840 -2.1840 -1.3145 -1.3145 -0.7742 -0.7742 4.1049 4.1049 4.5818 4.5818 4.7946 4.7946 4.8810 4.8810 5.1817 5.1817 5.2807 5.2807 5.6969 5.6969 5.8857 5.8857 6.1682 6.1682 6.3421 6.3421 6.6460 6.6460 6.9586 6.9586 7.1967 7.1967 7.4223 7.4223 8.1274 8.1274 8.4193 8.4193 8.5700 8.5700 8.7895 8.7895 9.1240 9.1240 9.3626 9.3626 10.1599 10.1599 10.3670 10.3670 10.6139 10.6139 11.2921 11.2921 11.7840 11.7840 12.2140 12.2140 12.8138 12.8138 13.2850 13.2850 k = 0.5690 0.0957-0.6678 ( 4852 PWs) bands (ev): -2.8479 -2.8479 -2.2202 -2.2202 -1.3370 -1.3370 -0.7740 -0.7740 4.1152 4.1152 4.5525 4.5525 4.8123 4.8123 4.9001 4.9001 5.1730 5.1730 5.2685 5.2685 5.6987 5.6987 5.9034 5.9034 6.1738 6.1738 6.3136 6.3136 6.6485 6.6485 6.9743 6.9743 7.2295 7.2295 7.4638 7.4638 8.2007 8.2007 8.4338 8.4338 8.6044 8.6044 8.8185 8.8185 9.1557 9.1557 9.4185 9.4185 10.2697 10.2697 10.4116 10.4116 10.6714 10.6714 11.3156 11.3156 11.8378 11.8378 12.2018 12.2018 12.7826 12.7826 13.3510 13.3510 k = 0.5654 0.0951-0.6301 ( 4853 PWs) bands (ev): -2.8926 -2.8926 -2.2551 -2.2551 -1.3590 -1.3590 -0.7741 -0.7741 4.1264 4.1264 4.5243 4.5243 4.8089 4.8089 4.9374 4.9374 5.1644 5.1644 5.2552 5.2552 5.6800 5.6800 5.9308 5.9308 6.1824 6.1824 6.2941 6.2941 6.6522 6.6522 6.9876 6.9876 7.2618 7.2618 7.5124 7.5124 8.2692 8.2692 8.4466 8.4466 8.6429 8.6429 8.8542 8.8542 9.1825 9.1825 9.4739 9.4739 10.3660 10.3660 10.4513 10.4513 10.7397 10.7397 11.3433 11.3433 11.8829 11.8829 12.1960 12.1960 12.7495 12.7495 13.4155 13.4155 k = 0.5618 0.0945-0.5923 ( 4855 PWs) bands (ev): -2.9352 -2.9352 -2.2887 -2.2887 -1.3804 -1.3804 -0.7746 -0.7746 4.1390 4.1390 4.4975 4.4975 4.7982 4.7982 4.9777 4.9777 5.1559 5.1559 5.2412 5.2412 5.6538 5.6538 5.9537 5.9537 6.1856 6.1856 6.2930 6.2930 6.6570 6.6570 6.9995 6.9995 7.2942 7.2942 7.5666 7.5666 8.3287 8.3287 8.4579 8.4579 8.6830 8.6830 8.9013 8.9013 9.2063 9.2063 9.5289 9.5289 10.4287 10.4287 10.4988 10.4988 10.8215 10.8215 11.3775 11.3775 11.9124 11.9124 12.2052 12.2052 12.7146 12.7146 13.4753 13.4753 k = 0.5581 0.0939-0.5546 ( 4867 PWs) bands (ev): -2.9759 -2.9759 -2.3209 -2.3209 -1.4011 -1.4011 -0.7754 -0.7754 4.1530 4.1530 4.4722 4.4722 4.7855 4.7855 5.0144 5.0144 5.1477 5.1477 5.2266 5.2266 5.6265 5.6265 5.9674 5.9674 6.1776 6.1776 6.3150 6.3150 6.6632 6.6632 7.0107 7.0107 7.3274 7.3274 7.6250 7.6250 8.3769 8.3769 8.4683 8.4683 8.7202 8.7202 8.9631 8.9631 9.2292 9.2292 9.5833 9.5833 10.4547 10.4547 10.5539 10.5539 10.9172 10.9172 11.4197 11.4197 11.9228 11.9228 12.2347 12.2347 12.6783 12.6783 13.5280 13.5280 k = 0.5545 0.0933-0.5168 ( 4871 PWs) bands (ev): -3.0143 -3.0143 -2.3515 -2.3515 -1.4209 -1.4209 -0.7765 -0.7765 4.1687 4.1687 4.4485 4.4485 4.7720 4.7720 5.0438 5.0438 5.1402 5.1402 5.2122 5.2122 5.6010 5.6010 5.9726 5.9726 6.1643 6.1643 6.3511 6.3511 6.6708 6.6708 7.0220 7.0220 7.3620 7.3620 7.6860 7.6860 8.4133 8.4133 8.4789 8.4789 8.7522 8.7522 9.0365 9.0365 9.2554 9.2554 9.6374 9.6374 10.4620 10.4620 10.6015 10.6015 11.0221 11.0221 11.4673 11.4673 11.9213 11.9213 12.2810 12.2810 12.6419 12.6419 13.5720 13.5720 k = 0.5509 0.0927-0.4790 ( 4870 PWs) bands (ev): -3.0506 -3.0506 -2.3805 -2.3805 -1.4398 -1.4398 -0.7778 -0.7778 4.1860 4.1860 4.4265 4.4265 4.7585 4.7585 5.0627 5.0627 5.1341 5.1341 5.1992 5.1992 5.5788 5.5788 5.9711 5.9711 6.1516 6.1516 6.3921 6.3921 6.6798 6.6798 7.0339 7.0339 7.3984 7.3984 7.7483 7.7483 8.4379 8.4379 8.4916 8.4916 8.7798 8.7798 9.1094 9.1094 9.2931 9.2931 9.6917 9.6917 10.4567 10.4567 10.6424 10.6424 11.1294 11.1294 11.5119 11.5119 11.9234 11.9234 12.3349 12.3349 12.6079 12.6079 13.6067 13.6067 k = 0.5472 0.0921-0.4413 ( 4872 PWs) bands (ev): -3.0846 -3.0846 -2.4079 -2.4079 -1.4577 -1.4577 -0.7793 -0.7793 4.2051 4.2051 4.4061 4.4061 4.7451 4.7451 5.0683 5.0683 5.1300 5.1300 5.1888 5.1888 5.5610 5.5610 5.9650 5.9650 6.1420 6.1420 6.4331 6.4331 6.6903 6.6903 7.0468 7.0468 7.4366 7.4366 7.8104 7.8104 8.4514 8.4514 8.5072 8.5072 8.8052 8.8052 9.1645 9.1645 9.3533 9.3533 9.7476 9.7476 10.4412 10.4412 10.6815 10.6815 11.2334 11.2334 11.5389 11.5389 11.9483 11.9483 12.3833 12.3833 12.5842 12.5842 13.6320 13.6320 k = 0.5436 0.0915-0.4035 ( 4884 PWs) bands (ev): -3.1163 -3.1163 -2.4334 -2.4334 -1.4746 -1.4746 -0.7809 -0.7809 4.2258 4.2258 4.3874 4.3874 4.7321 4.7321 5.0612 5.0612 5.1268 5.1268 5.1817 5.1817 5.5479 5.5479 5.9560 5.9560 6.1359 6.1359 6.4714 6.4714 6.7023 6.7023 7.0607 7.0607 7.4766 7.4766 7.8711 7.8711 8.4569 8.4569 8.5237 8.5237 8.8301 8.8301 9.1975 9.1975 9.4339 9.4339 9.8073 9.8073 10.4183 10.4183 10.7223 10.7223 11.3302 11.3302 11.5375 11.5375 12.0079 12.0079 12.4053 12.4053 12.5887 12.5887 13.6486 13.6486 k = 0.5400 0.0908-0.3658 ( 4879 PWs) bands (ev): -3.1456 -3.1456 -2.4572 -2.4572 -1.4903 -1.4903 -0.7826 -0.7826 4.2482 4.2482 4.3705 4.3705 4.7196 4.7196 5.0449 5.0449 5.1226 5.1226 5.1762 5.1762 5.5390 5.5390 5.9456 5.9456 6.1331 6.1331 6.5058 6.5058 6.7157 6.7157 7.0758 7.0758 7.5182 7.5182 7.9292 7.9292 8.4574 8.4574 8.5390 8.5390 8.8555 8.8555 9.2176 9.2176 9.5193 9.5193 9.8733 9.8733 10.3916 10.3916 10.7666 10.7666 11.4113 11.4113 11.5180 11.5180 12.0972 12.0972 12.3910 12.3910 12.6305 12.6305 13.6577 13.6577 k = 0.5363 0.0902-0.3280 ( 4887 PWs) bands (ev): -3.1725 -3.1725 -2.4791 -2.4791 -1.5048 -1.5048 -0.7843 -0.7843 4.2721 4.2721 4.3553 4.3553 4.7075 4.7075 5.0228 5.0228 5.1176 5.1176 5.1706 5.1706 5.5334 5.5334 5.9350 5.9350 6.1329 6.1329 6.5355 6.5355 6.7304 6.7304 7.0919 7.0919 7.5613 7.5613 7.9838 7.9838 8.4543 8.4543 8.5520 8.5520 8.8816 8.8816 9.2318 9.2318 9.5981 9.5981 9.9461 9.9461 10.3663 10.3663 10.8145 10.8145 11.4280 11.4280 11.5394 11.5394 12.2003 12.2003 12.3606 12.3606 12.6922 12.6922 13.6603 13.6603 k = 0.5327 0.0896-0.2903 ( 4883 PWs) bands (ev): -3.1969 -3.1969 -2.4991 -2.4991 -1.5180 -1.5180 -0.7860 -0.7860 4.2970 4.2970 4.3423 4.3423 4.6960 4.6960 4.9968 4.9968 5.1123 5.1123 5.1640 5.1640 5.5301 5.5301 5.9249 5.9249 6.1348 6.1348 6.5606 6.5606 6.7458 6.7458 7.1087 7.1087 7.6053 7.6053 8.0341 8.0341 8.4482 8.4482 8.5626 8.5626 8.9076 8.9076 9.2433 9.2433 9.6663 9.6663 10.0199 10.0199 10.3500 10.3500 10.8644 10.8644 11.3833 11.3833 11.6078 11.6078 12.2670 12.2670 12.3665 12.3665 12.7606 12.7606 13.6574 13.6574 k = 0.5291 0.0890-0.2525 ( 4875 PWs) bands (ev): -3.2189 -3.2189 -2.5171 -2.5171 -1.5300 -1.5300 -0.7877 -0.7877 4.3177 4.3177 4.3365 4.3365 4.6850 4.6850 4.9683 4.9683 5.1068 5.1068 5.1567 5.1567 5.5279 5.5279 5.9158 5.9158 6.1381 6.1381 6.5813 6.5813 6.7615 6.7615 7.1259 7.1259 7.6498 7.6498 8.0796 8.0796 8.4395 8.4395 8.5707 8.5707 8.9324 8.9324 9.2531 9.2531 9.7260 9.7260 10.0798 10.0798 10.3550 10.3550 10.9121 10.9121 11.3318 11.3318 11.6775 11.6775 12.2383 12.2383 12.4654 12.4654 12.8307 12.8307 13.6499 13.6499 k = 0.5254 0.0884-0.2148 ( 4873 PWs) bands (ev): -3.2383 -3.2383 -2.5330 -2.5330 -1.5406 -1.5406 -0.7892 -0.7892 4.3149 4.3149 4.3569 4.3569 4.6742 4.6742 4.9383 4.9383 5.1014 5.1014 5.1495 5.1495 5.5262 5.5262 5.9080 5.9080 6.1423 6.1423 6.5980 6.5980 6.7768 6.7768 7.1429 7.1429 7.6942 7.6942 8.1200 8.1200 8.4285 8.4285 8.5767 8.5767 8.9547 8.9547 9.2616 9.2616 9.7816 9.7816 10.1099 10.1099 10.3923 10.3923 10.9475 10.9475 11.2939 11.2939 11.7411 11.7411 12.1894 12.1894 12.5785 12.5785 12.9005 12.9005 13.6386 13.6386 k = 0.5218 0.0878-0.1770 ( 4881 PWs) bands (ev): -3.2552 -3.2552 -2.5469 -2.5469 -1.5499 -1.5499 -0.7906 -0.7906 4.3067 4.3067 4.3854 4.3854 4.6637 4.6637 4.9078 4.9078 5.0958 5.0958 5.1431 5.1431 5.5244 5.5244 5.9014 5.9014 6.1470 6.1470 6.6115 6.6115 6.7911 6.7911 7.1592 7.1592 7.7376 7.7376 8.1553 8.1553 8.4157 8.4157 8.5807 8.5807 8.9735 8.9735 9.2682 9.2682 9.8373 9.8373 10.1139 10.1139 10.4523 10.4523 10.9543 10.9543 11.2900 11.2900 11.7966 11.7966 12.1368 12.1368 12.6861 12.6861 12.9691 12.9691 13.6240 13.6240 k = 0.5182 0.0872-0.1393 ( 4879 PWs) bands (ev): -3.2696 -3.2696 -2.5588 -2.5588 -1.5578 -1.5578 -0.7919 -0.7919 4.2993 4.2993 4.4153 4.4153 4.6529 4.6529 4.8780 4.8780 5.0905 5.0905 5.1377 5.1377 5.5225 5.5225 5.8961 5.8961 6.1517 6.1517 6.6222 6.6222 6.8038 6.8038 7.1742 7.1742 7.7789 7.7789 8.1857 8.1857 8.4014 8.4014 8.5832 8.5832 8.9882 8.9882 9.2728 9.2728 9.8957 9.8957 10.1065 10.1065 10.5137 10.5137 10.9290 10.9290 11.3280 11.3280 11.8422 11.8422 12.0829 12.0829 12.7821 12.7821 13.0360 13.0360 13.6064 13.6064 k = 0.5145 0.0866-0.1015 ( 4884 PWs) bands (ev): -3.2813 -3.2813 -2.5685 -2.5685 -1.5642 -1.5642 -0.7930 -0.7930 4.2931 4.2931 4.4457 4.4457 4.6413 4.6413 4.8501 4.8501 5.0854 5.0854 5.1336 5.1336 5.5206 5.5206 5.8919 5.8919 6.1560 6.1560 6.6304 6.6304 6.8146 6.8146 7.1874 7.1874 7.8167 7.8167 8.2111 8.2111 8.3864 8.3864 8.5845 8.5845 8.9991 8.9991 9.2750 9.2750 9.9565 9.9565 10.0977 10.0977 10.5581 10.5581 10.8910 10.8910 11.3945 11.3945 11.8760 11.8760 12.0295 12.0295 12.8626 12.8626 13.1002 13.1002 13.5867 13.5867 k = 0.5109 0.0859-0.0638 ( 4891 PWs) bands (ev): -3.2905 -3.2905 -2.5761 -2.5761 -1.5693 -1.5693 -0.7938 -0.7938 4.2883 4.2883 4.4760 4.4760 4.6282 4.6282 4.8256 4.8256 5.0811 5.0811 5.1306 5.1306 5.5188 5.5188 5.8887 5.8887 6.1597 6.1597 6.6366 6.6366 6.8232 6.8232 7.1982 7.1982 7.8494 7.8494 8.2317 8.2317 8.3716 8.3716 8.5850 8.5850 9.0065 9.0065 9.2755 9.2755 10.0141 10.0141 10.0955 10.0955 10.5710 10.5710 10.8640 10.8640 11.4744 11.4744 11.8931 11.8931 11.9812 11.9812 12.9253 12.9253 13.1593 13.1593 13.5661 13.5661 k = 0.5073 0.0853-0.0260 ( 4889 PWs) bands (ev): -3.2971 -3.2971 -2.5815 -2.5815 -1.5729 -1.5729 -0.7945 -0.7945 4.2848 4.2848 4.5052 4.5052 4.6130 4.6130 4.8064 4.8064 5.0778 5.0778 5.1286 5.1286 5.5174 5.5174 5.8865 5.8865 6.1625 6.1625 6.6409 6.6409 6.8295 6.8295 7.2062 7.2062 7.8749 7.8749 8.2475 8.2475 8.3585 8.3585 8.5850 8.5850 9.0112 9.0112 9.2749 9.2749 10.0478 10.0478 10.1176 10.1176 10.5505 10.5505 10.8575 10.8575 11.5570 11.5570 11.8767 11.8767 11.9555 11.9555 12.9694 12.9694 13.2088 13.2088 13.5469 13.5469 k = 0.5036 0.0847 0.0117 ( 4877 PWs) bands (ev): -3.3010 -3.3010 -2.5848 -2.5848 -1.5751 -1.5751 -0.7948 -0.7948 4.2828 4.2828 4.5310 4.5310 4.5963 4.5963 4.7941 4.7941 5.0757 5.0757 5.1275 5.1275 5.5164 5.5164 5.8853 5.8853 6.1642 6.1642 6.6434 6.6434 6.8333 6.8333 7.2112 7.2112 7.8913 7.8913 8.2578 8.2578 8.3490 8.3490 8.5849 8.5849 9.0137 9.0137 9.2741 9.2741 10.0539 10.0539 10.1579 10.1579 10.5173 10.5173 10.8614 10.8614 11.6320 11.6320 11.8309 11.8309 11.9529 11.9529 12.9955 12.9955 13.2428 13.2428 13.5326 13.5326 k = 0.5000 0.0841 0.0495 ( 4870 PWs) bands (ev): -3.3023 -3.3023 -2.5858 -2.5858 -1.5758 -1.5758 -0.7950 -0.7950 4.2821 4.2821 4.5445 4.5445 4.5859 4.5859 4.7899 4.7899 5.0750 5.0750 5.1271 5.1271 5.5161 5.5161 5.8848 5.8848 6.1648 6.1648 6.6442 6.6442 6.8345 6.8345 7.2129 7.2129 7.8970 7.8970 8.2615 8.2615 8.3454 8.3454 8.5848 8.5848 9.0145 9.0145 9.2737 9.2737 10.0543 10.0543 10.1770 10.1770 10.5009 10.5009 10.8641 10.8641 11.6711 11.6711 11.8004 11.8004 11.9535 11.9535 13.0041 13.0041 13.2550 13.2550 13.5272 13.5272 k = 0.5000-1.4440-0.8494 ( 4860 PWs) bands (ev): -1.4836 -1.4836 -1.4481 -1.4481 -0.9949 -0.9949 -0.9499 -0.9499 3.4948 3.4948 3.9732 3.9732 4.4039 4.4039 5.0133 5.0133 5.0210 5.0210 5.5055 5.5055 5.7857 5.7857 6.0823 6.0823 6.2742 6.2742 6.4547 6.4547 6.7688 6.7688 7.2239 7.2239 7.2956 7.2956 7.4170 7.4170 7.6351 7.6351 7.6454 7.6454 7.7423 7.7423 8.0901 8.0901 8.1811 8.1811 8.4645 8.4645 8.8328 8.8328 9.0868 9.0868 9.6527 9.6527 9.9623 9.9623 11.3711 11.3711 12.1800 12.1800 12.2440 12.2440 13.7561 13.7561 k = 0.5363-1.4346-0.8439 ( 4861 PWs) bands (ev): -1.4842 -1.4842 -1.4472 -1.4472 -0.9992 -0.9992 -0.9459 -0.9459 3.4942 3.4942 3.9726 3.9726 4.4044 4.4044 5.0122 5.0122 5.0251 5.0251 5.5053 5.5053 5.7836 5.7836 6.0818 6.0818 6.2746 6.2746 6.4564 6.4564 6.7681 6.7681 7.2217 7.2217 7.2965 7.2965 7.4155 7.4155 7.6223 7.6223 7.6560 7.6560 7.7459 7.7459 8.0886 8.0886 8.1834 8.1834 8.4639 8.4639 8.8350 8.8350 9.0877 9.0877 9.6276 9.6276 9.9877 9.9877 11.3749 11.3749 12.1106 12.1106 12.3145 12.3145 13.7438 13.7438 k = 0.5727-1.4253-0.8384 ( 4862 PWs) bands (ev): -1.4859 -1.4859 -1.4448 -1.4448 -1.0091 -1.0091 -0.9367 -0.9367 3.4925 3.4925 3.9708 3.9708 4.4060 4.4060 5.0110 5.0110 5.0352 5.0352 5.5047 5.5047 5.7771 5.7771 6.0802 6.0802 6.2759 6.2759 6.4615 6.4615 6.7663 6.7663 7.2152 7.2152 7.2991 7.2991 7.4116 7.4116 7.6033 7.6033 7.6690 7.6690 7.7555 7.7555 8.0844 8.0844 8.1899 8.1899 8.4621 8.4621 8.8415 8.8415 9.0907 9.0907 9.5687 9.5687 10.0478 10.0478 11.3863 11.3863 12.0189 12.0189 12.4095 12.4095 13.7093 13.7093 k = 0.6090-1.4160-0.8329 ( 4861 PWs) bands (ev): -1.4882 -1.4882 -1.4414 -1.4414 -1.0211 -1.0211 -0.9259 -0.9259 3.4898 3.4898 3.9679 3.9679 4.4084 4.4084 5.0106 5.0106 5.0502 5.0502 5.5036 5.5036 5.7665 5.7665 6.0768 6.0768 6.2789 6.2789 6.4696 6.4696 6.7636 6.7636 7.2041 7.2041 7.3027 7.3027 7.4063 7.4063 7.5831 7.5831 7.6816 7.6816 7.7690 7.7690 8.0783 8.0783 8.1998 8.1998 8.4595 8.4595 8.8514 8.8514 9.0956 9.0956 9.4964 9.4964 10.1221 10.1221 11.4048 11.4048 11.9287 11.9287 12.5051 12.5051 13.6580 13.6580 k = 0.6453-1.4066-0.8274 ( 4861 PWs) bands (ev): -1.4906 -1.4906 -1.4374 -1.4374 -1.0336 -1.0336 -0.9149 -0.9149 3.4863 3.4863 3.9643 3.9643 4.4115 4.4115 5.0108 5.0108 5.0702 5.0702 5.5023 5.5023 5.7520 5.7520 6.0713 6.0713 6.2842 6.2842 6.4803 6.4803 6.7602 6.7602 7.1884 7.1884 7.3065 7.3065 7.4007 7.4007 7.5636 7.5636 7.6938 7.6938 7.7845 7.7845 8.0707 8.0707 8.2122 8.2122 8.4565 8.4565 8.8638 8.8638 9.1023 9.1023 9.4207 9.4207 10.2006 10.2006 11.4297 11.4297 11.8425 11.8425 12.5990 12.5990 13.5959 13.5959 k = 0.6817-1.3973-0.8219 ( 4865 PWs) bands (ev): -1.4931 -1.4931 -1.4333 -1.4333 -1.0459 -1.0459 -0.9044 -0.9044 3.4821 3.4821 3.9601 3.9601 4.4151 4.4151 5.0112 5.0112 5.0948 5.0948 5.5007 5.5007 5.7337 5.7337 6.0633 6.0633 6.2920 6.2920 6.4932 6.4932 6.7567 6.7567 7.1685 7.1685 7.3095 7.3095 7.3947 7.3947 7.5469 7.5469 7.7051 7.7051 7.8009 7.8009 8.0620 8.0620 8.2264 8.2264 8.4534 8.4534 8.8775 8.8775 9.1104 9.1104 9.3468 9.3468 10.2788 10.2788 11.4593 11.4593 11.7624 11.7624 12.6898 12.6898 13.5281 13.5281 k = 0.7180-1.3879-0.8164 ( 4862 PWs) bands (ev): -1.4952 -1.4952 -1.4295 -1.4295 -1.0573 -1.0573 -0.8948 -0.8948 3.4774 3.4774 3.9557 3.9557 4.4189 4.4189 5.0119 5.0119 5.1238 5.1238 5.4990 5.4990 5.7119 5.7119 6.0534 6.0534 6.3021 6.3021 6.5080 6.5080 6.7533 6.7533 7.1449 7.1449 7.3113 7.3113 7.3874 7.3874 7.5353 7.5353 7.7152 7.7152 7.8174 7.8174 8.0527 8.0527 8.2414 8.2414 8.4508 8.4508 8.8911 8.8911 9.1183 9.1183 9.2785 9.2785 10.3540 10.3540 11.4897 11.4897 11.6927 11.6927 12.7760 12.7760 13.4583 13.4583 k = 0.7543-1.3786-0.8109 ( 4864 PWs) bands (ev): -1.4969 -1.4969 -1.4263 -1.4263 -1.0674 -1.0674 -0.8864 -0.8864 3.4726 3.4726 3.9514 3.9514 4.4226 4.4226 5.0126 5.0126 5.1567 5.1567 5.4973 5.4973 5.6868 5.6868 6.0420 6.0420 6.3137 6.3137 6.5243 6.5243 6.7504 6.7504 7.1187 7.1187 7.3118 7.3118 7.3777 7.3777 7.5298 7.5298 7.7238 7.7238 7.8335 7.8335 8.0429 8.0429 8.2563 8.2563 8.4492 8.4492 8.9040 8.9040 9.1206 9.1206 9.2229 9.2229 10.4243 10.4243 11.5083 11.5083 11.6461 11.6461 12.8560 12.8560 13.3893 13.3893 k = 0.7907-1.3692-0.8054 ( 4870 PWs) bands (ev): -1.4982 -1.4982 -1.4239 -1.4239 -1.0761 -1.0761 -0.8792 -0.8792 3.4679 3.4679 3.9475 3.9475 4.4260 4.4260 5.0133 5.0133 5.1927 5.1927 5.4959 5.4959 5.6586 5.6586 6.0300 6.0300 6.3257 6.3257 6.5418 6.5418 6.7484 6.7484 7.0908 7.0908 7.3111 7.3111 7.3662 7.3662 7.5298 7.5298 7.7310 7.7310 7.8484 7.8484 8.0331 8.0331 8.2703 8.2703 8.4488 8.4488 8.9155 8.9155 9.1032 9.1032 9.1949 9.1949 10.4879 10.4879 11.4913 11.4913 11.6459 11.6459 12.9280 12.9280 13.3230 13.3230 k = 0.8270-1.3599-0.7999 ( 4868 PWs) bands (ev): -1.4991 -1.4991 -1.4226 -1.4226 -1.0828 -1.0828 -0.8734 -0.8734 3.4636 3.4636 3.9442 3.9442 4.4289 4.4289 5.0139 5.0139 5.2310 5.2310 5.4949 5.4949 5.6280 5.6280 6.0181 6.0181 6.3369 6.3369 6.5600 6.5600 6.7477 6.7477 7.0623 7.0623 7.3091 7.3091 7.3545 7.3545 7.5335 7.5335 7.7366 7.7366 7.8616 7.8616 8.0238 8.0238 8.2823 8.2823 8.4495 8.4495 8.9255 8.9255 9.0672 9.0672 9.1943 9.1943 10.5430 10.5430 11.4508 11.4508 11.6797 11.6797 12.9900 12.9900 13.2614 13.2614 Writing output data file Te4Pt3.save init_run : 2.10s CPU 1.35s WALL ( 1 calls) electrons : 1096.44s CPU 803.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.57s CPU 0.43s WALL ( 1 calls) Called by electrons: c_bands : 1096.44s CPU 803.38s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.08s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.14s CPU 0.07s WALL ( 1 calls) newd : 0.52s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.20s WALL ( 288 calls) cegterg : 955.96s CPU 728.74s WALL ( 458 calls) Called by sum_band: Called by *egterg: h_psi : 936.73s CPU 648.80s WALL ( 7191 calls) s_psi : 12.54s CPU 11.62s WALL ( 7191 calls) g_psi : 0.20s CPU 0.20s WALL ( 6445 calls) cdiaghg : 115.81s CPU 113.02s WALL ( 6733 calls) cegterg:over : 11.93s CPU 11.90s WALL ( 6445 calls) cegterg:upda : 6.19s CPU 6.46s WALL ( 6445 calls) cegterg:last : 3.66s CPU 3.81s WALL ( 1322 calls) cdiaghg:chol : 5.15s CPU 4.92s WALL ( 6733 calls) cdiaghg:inve : 2.94s CPU 2.94s WALL ( 6733 calls) cdiaghg:para : 6.17s CPU 6.43s WALL ( 13466 calls) Called by h_psi: h_psi:vloc : 905.94s CPU 620.51s WALL ( 7191 calls) h_psi:vnl : 30.62s CPU 28.08s WALL ( 7191 calls) add_vuspsi : 17.10s CPU 15.38s WALL ( 7191 calls) General routines calbec : 13.45s CPU 12.66s WALL ( 7191 calls) fft : 0.21s CPU 0.13s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 729.30s CPU 458.23s WALL ( 1101080 calls) interpolate : 0.06s CPU 0.04s WALL ( 4 calls) davcio : 0.28s CPU 0.45s WALL ( 576 calls) Parallel routines fft_scatter : 192.08s CPU 174.11s WALL ( 1101103 calls) PWSCF : 18m49.56s CPU 14m46.41s WALL This run was terminated on: 7:32:28 29Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=