Program PWSCF v.5.1.1 starts on 19Jun2016 at 9:21:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrGe3Pt.save/ 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 30 9 2174 498 81 Max 83 31 10 2176 516 82 Sum 3961 1483 445 104371 24295 3909 bravais-lattice index = 14 lattice parameter (alat) = 11.2931 a.u. unit-cell volume = 685.7854 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 11.293071 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.719280 celldm(5)= -0.719280 celldm(6)= 0.438561 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.438561 0.898702 0.000000 ) a(3) = ( -0.719280 -0.449351 0.529830 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.487994 0.943699 ) b(2) = ( 0.000000 1.112716 0.943699 ) b(3) = ( 0.000000 0.000000 1.887398 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /home/autes/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 PseudoPot. # 3 for Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 Ge 4.00 72.64000 Ge( 1.00) Pt 10.00 195.08400 Pt( 1.00) Sr 10.00 87.62000 Sr( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0188740), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0377480), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0566219), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0754959), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0943699), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1132439), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1321179), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1509919), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.1698658), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1887398), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.2076138), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.2264878), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.2453618), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.2642358), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.2831097), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.3019837), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.3208577), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.3397317), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.3586057), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.3774796), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.3963536), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.4152276), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.4341016), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.4529756), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.4718496), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.4907235), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.5095975), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.5284715), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.5473455), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.5662195), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.5850934), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.6039674), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.6228414), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.6417154), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.6605894), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.6794634), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.6983373), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.7172113), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.7360853), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.7549593), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.7738333), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.7927073), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.8115812), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.8304552), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.8493292), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.8682032), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.8870772), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.9059511), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.9248251), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.9436991), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.9436991), wk = 0.0030303 k( 53) = ( -0.0097570 0.0156181 0.9436991), wk = 0.0030303 k( 54) = ( -0.0195139 0.0312361 0.9436991), wk = 0.0030303 k( 55) = ( -0.0292709 0.0468542 0.9436991), wk = 0.0030303 k( 56) = ( -0.0390279 0.0624723 0.9436991), wk = 0.0030303 k( 57) = ( -0.0487848 0.0780904 0.9436991), wk = 0.0030303 k( 58) = ( -0.0585418 0.0937084 0.9436991), wk = 0.0030303 k( 59) = ( -0.0682988 0.1093265 0.9436991), wk = 0.0030303 k( 60) = ( -0.0780557 0.1249446 0.9436991), wk = 0.0030303 k( 61) = ( -0.0878127 0.1405626 0.9436991), wk = 0.0030303 k( 62) = ( -0.0975697 0.1561807 0.9436991), wk = 0.0030303 k( 63) = ( -0.0975697 0.1561807 0.9436991), wk = 0.0030303 k( 64) = ( -0.1045081 0.1672872 0.9306035), wk = 0.0030303 k( 65) = ( -0.1114466 0.1783936 0.9175079), wk = 0.0030303 k( 66) = ( -0.1183850 0.1895001 0.9044122), wk = 0.0030303 k( 67) = ( -0.1253235 0.2006065 0.8913166), wk = 0.0030303 k( 68) = ( -0.1322619 0.2117130 0.8782210), wk = 0.0030303 k( 69) = ( -0.1392004 0.2228194 0.8651253), wk = 0.0030303 k( 70) = ( -0.1461388 0.2339259 0.8520297), wk = 0.0030303 k( 71) = ( -0.1530773 0.2450323 0.8389341), wk = 0.0030303 k( 72) = ( -0.1600157 0.2561388 0.8258385), wk = 0.0030303 k( 73) = ( -0.1669542 0.2672452 0.8127429), wk = 0.0030303 k( 74) = ( -0.1738927 0.2783517 0.7996472), wk = 0.0030303 k( 75) = ( -0.1808311 0.2894581 0.7865516), wk = 0.0030303 k( 76) = ( -0.1877696 0.3005646 0.7734560), wk = 0.0030303 k( 77) = ( -0.1947080 0.3116710 0.7603603), wk = 0.0030303 k( 78) = ( -0.2016465 0.3227775 0.7472647), wk = 0.0030303 k( 79) = ( -0.2085849 0.3338839 0.7341691), wk = 0.0030303 k( 80) = ( -0.2155234 0.3449904 0.7210735), wk = 0.0030303 k( 81) = ( -0.2224618 0.3560968 0.7079778), wk = 0.0030303 k( 82) = ( -0.2294003 0.3672033 0.6948822), wk = 0.0030303 k( 83) = ( -0.2363387 0.3783098 0.6817866), wk = 0.0030303 k( 84) = ( -0.2432772 0.3894162 0.6686910), wk = 0.0030303 k( 85) = ( -0.2502157 0.4005227 0.6555953), wk = 0.0030303 k( 86) = ( -0.2571541 0.4116291 0.6424997), wk = 0.0030303 k( 87) = ( -0.2640926 0.4227356 0.6294041), wk = 0.0030303 k( 88) = ( -0.2710310 0.4338420 0.6163084), wk = 0.0030303 k( 89) = ( -0.2779695 0.4449485 0.6032128), wk = 0.0030303 k( 90) = ( -0.2849079 0.4560549 0.5901172), wk = 0.0030303 k( 91) = ( -0.2918464 0.4671614 0.5770216), wk = 0.0030303 k( 92) = ( -0.2987848 0.4782678 0.5639260), wk = 0.0030303 k( 93) = ( -0.2987848 0.4782678 0.5639260), wk = 0.0030303 k( 94) = ( -0.2916709 0.4668805 0.5504991), wk = 0.0030303 k( 95) = ( -0.2845570 0.4554932 0.5370723), wk = 0.0030303 k( 96) = ( -0.2774431 0.4441058 0.5236455), wk = 0.0030303 k( 97) = ( -0.2703291 0.4327185 0.5102187), wk = 0.0030303 k( 98) = ( -0.2632152 0.4213312 0.4967919), wk = 0.0030303 k( 99) = ( -0.2561013 0.4099438 0.4833651), wk = 0.0030303 k( 100) = ( -0.2489874 0.3985565 0.4699383), wk = 0.0030303 k( 101) = ( -0.2418734 0.3871692 0.4565115), wk = 0.0030303 k( 102) = ( -0.2347595 0.3757819 0.4430847), wk = 0.0030303 k( 103) = ( -0.2276456 0.3643945 0.4296579), wk = 0.0030303 k( 104) = ( -0.2205317 0.3530072 0.4162311), wk = 0.0030303 k( 105) = ( -0.2134177 0.3416199 0.4028042), wk = 0.0030303 k( 106) = ( -0.2063038 0.3302325 0.3893774), wk = 0.0030303 k( 107) = ( -0.1991899 0.3188452 0.3759506), wk = 0.0030303 k( 108) = ( -0.1920760 0.3074579 0.3625238), wk = 0.0030303 k( 109) = ( -0.1849620 0.2960706 0.3490970), wk = 0.0030303 k( 110) = ( -0.1778481 0.2846832 0.3356702), wk = 0.0030303 k( 111) = ( -0.1707342 0.2732959 0.3222434), wk = 0.0030303 k( 112) = ( -0.1636203 0.2619086 0.3088166), wk = 0.0030303 k( 113) = ( -0.1565063 0.2505212 0.2953898), wk = 0.0030303 k( 114) = ( -0.1493924 0.2391339 0.2819630), wk = 0.0030303 k( 115) = ( -0.1422785 0.2277466 0.2685362), wk = 0.0030303 k( 116) = ( -0.1351646 0.2163592 0.2551094), wk = 0.0030303 k( 117) = ( -0.1280506 0.2049719 0.2416826), wk = 0.0030303 k( 118) = ( -0.1209367 0.1935846 0.2282558), wk = 0.0030303 k( 119) = ( -0.1138228 0.1821973 0.2148289), wk = 0.0030303 k( 120) = ( -0.1067089 0.1708099 0.2014021), wk = 0.0030303 k( 121) = ( -0.0995949 0.1594226 0.1879753), wk = 0.0030303 k( 122) = ( -0.0924810 0.1480353 0.1745485), wk = 0.0030303 k( 123) = ( -0.0853671 0.1366479 0.1611217), wk = 0.0030303 k( 124) = ( -0.0782532 0.1252606 0.1476949), wk = 0.0030303 k( 125) = ( -0.0711392 0.1138733 0.1342681), wk = 0.0030303 k( 126) = ( -0.0640253 0.1024860 0.1208413), wk = 0.0030303 k( 127) = ( -0.0569114 0.0910986 0.1074145), wk = 0.0030303 k( 128) = ( -0.0497975 0.0797113 0.0939877), wk = 0.0030303 k( 129) = ( -0.0426836 0.0683240 0.0805609), wk = 0.0030303 k( 130) = ( -0.0355696 0.0569366 0.0671340), wk = 0.0030303 k( 131) = ( -0.0284557 0.0455493 0.0537072), wk = 0.0030303 k( 132) = ( -0.0213418 0.0341620 0.0402804), wk = 0.0030303 k( 133) = ( -0.0142279 0.0227747 0.0268536), wk = 0.0030303 k( 134) = ( -0.0071139 0.0113873 0.0134268), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0161290 0.0100762 0.0000000), wk = 0.0030303 k( 138) = ( 0.0322581 0.0201523 0.0000000), wk = 0.0030303 k( 139) = ( 0.0483871 0.0302285 0.0000000), wk = 0.0030303 k( 140) = ( 0.0645161 0.0403047 0.0000000), wk = 0.0030303 k( 141) = ( 0.0806452 0.0503809 0.0000000), wk = 0.0030303 k( 142) = ( 0.0967742 0.0604570 0.0000000), wk = 0.0030303 k( 143) = ( 0.1129032 0.0705332 0.0000000), wk = 0.0030303 k( 144) = ( 0.1290323 0.0806094 0.0000000), wk = 0.0030303 k( 145) = ( 0.1451613 0.0906856 0.0000000), wk = 0.0030303 k( 146) = ( 0.1612903 0.1007617 0.0000000), wk = 0.0030303 k( 147) = ( 0.1774194 0.1108379 0.0000000), wk = 0.0030303 k( 148) = ( 0.1935484 0.1209141 0.0000000), wk = 0.0030303 k( 149) = ( 0.2096774 0.1309903 0.0000000), wk = 0.0030303 k( 150) = ( 0.2258064 0.1410664 0.0000000), wk = 0.0030303 k( 151) = ( 0.2419355 0.1511426 0.0000000), wk = 0.0030303 k( 152) = ( 0.2580645 0.1612188 0.0000000), wk = 0.0030303 k( 153) = ( 0.2741936 0.1712950 0.0000000), wk = 0.0030303 k( 154) = ( 0.2903226 0.1813711 0.0000000), wk = 0.0030303 k( 155) = ( 0.3064516 0.1914473 0.0000000), wk = 0.0030303 k( 156) = ( 0.3225807 0.2015235 0.0000000), wk = 0.0030303 k( 157) = ( 0.3387097 0.2115997 0.0000000), wk = 0.0030303 k( 158) = ( 0.3548387 0.2216758 0.0000000), wk = 0.0030303 k( 159) = ( 0.3709677 0.2317520 0.0000000), wk = 0.0030303 k( 160) = ( 0.3870968 0.2418282 0.0000000), wk = 0.0030303 k( 161) = ( 0.4032258 0.2519044 0.0000000), wk = 0.0030303 k( 162) = ( 0.4193548 0.2619805 0.0000000), wk = 0.0030303 k( 163) = ( 0.4354839 0.2720567 0.0000000), wk = 0.0030303 k( 164) = ( 0.4516129 0.2821329 0.0000000), wk = 0.0030303 k( 165) = ( 0.4677419 0.2922091 0.0000000), wk = 0.0030303 k( 166) = ( 0.4838710 0.3022852 0.0000000), wk = 0.0030303 k( 167) = ( 0.5000000 0.3123614 0.0000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.3123614 0.0000000), wk = 0.0030303 k( 169) = ( 0.4930616 0.3234679 0.0130956), wk = 0.0030303 k( 170) = ( 0.4861231 0.3345743 0.0261913), wk = 0.0030303 k( 171) = ( 0.4791846 0.3456808 0.0392869), wk = 0.0030303 k( 172) = ( 0.4722462 0.3567872 0.0523825), wk = 0.0030303 k( 173) = ( 0.4653077 0.3678937 0.0654781), wk = 0.0030303 k( 174) = ( 0.4583693 0.3790001 0.0785738), wk = 0.0030303 k( 175) = ( 0.4514308 0.3901066 0.0916694), wk = 0.0030303 k( 176) = ( 0.4444924 0.4012130 0.1047650), wk = 0.0030303 k( 177) = ( 0.4375539 0.4123195 0.1178606), wk = 0.0030303 k( 178) = ( 0.4306155 0.4234259 0.1309563), wk = 0.0030303 k( 179) = ( 0.4236770 0.4345324 0.1440519), wk = 0.0030303 k( 180) = ( 0.4167385 0.4456388 0.1571475), wk = 0.0030303 k( 181) = ( 0.4098001 0.4567453 0.1702431), wk = 0.0030303 k( 182) = ( 0.4028616 0.4678517 0.1833388), wk = 0.0030303 k( 183) = ( 0.3959232 0.4789582 0.1964344), wk = 0.0030303 k( 184) = ( 0.3889847 0.4900647 0.2095300), wk = 0.0030303 k( 185) = ( 0.3820463 0.5011711 0.2226256), wk = 0.0030303 k( 186) = ( 0.3751078 0.5122776 0.2357213), wk = 0.0030303 k( 187) = ( 0.3681694 0.5233840 0.2488169), wk = 0.0030303 k( 188) = ( 0.3612309 0.5344905 0.2619125), wk = 0.0030303 k( 189) = ( 0.3542925 0.5455969 0.2750082), wk = 0.0030303 k( 190) = ( 0.3473540 0.5567034 0.2881038), wk = 0.0030303 k( 191) = ( 0.3404156 0.5678098 0.3011994), wk = 0.0030303 k( 192) = ( 0.3334771 0.5789163 0.3142950), wk = 0.0030303 k( 193) = ( 0.3265386 0.5900227 0.3273907), wk = 0.0030303 k( 194) = ( 0.3196002 0.6011292 0.3404863), wk = 0.0030303 k( 195) = ( 0.3126617 0.6122356 0.3535819), wk = 0.0030303 k( 196) = ( 0.3057233 0.6233421 0.3666775), wk = 0.0030303 k( 197) = ( 0.2987848 0.6344485 0.3797732), wk = 0.0030303 k( 198) = ( 0.2987848 0.6344485 0.3797732), wk = 0.0030303 k( 199) = ( 0.2812093 0.6298550 0.3851894), wk = 0.0030303 k( 200) = ( 0.2636337 0.6252614 0.3906057), wk = 0.0030303 k( 201) = ( 0.2460581 0.6206679 0.3960219), wk = 0.0030303 k( 202) = ( 0.2284825 0.6160743 0.4014382), wk = 0.0030303 k( 203) = ( 0.2109069 0.6114808 0.4068544), wk = 0.0030303 k( 204) = ( 0.1933314 0.6068872 0.4122707), wk = 0.0030303 k( 205) = ( 0.1757558 0.6022937 0.4176870), wk = 0.0030303 k( 206) = ( 0.1581802 0.5977001 0.4231032), wk = 0.0030303 k( 207) = ( 0.1406046 0.5931066 0.4285195), wk = 0.0030303 k( 208) = ( 0.1230291 0.5885130 0.4339357), wk = 0.0030303 k( 209) = ( 0.1054535 0.5839195 0.4393520), wk = 0.0030303 k( 210) = ( 0.0878779 0.5793259 0.4447683), wk = 0.0030303 k( 211) = ( 0.0703023 0.5747324 0.4501845), wk = 0.0030303 k( 212) = ( 0.0527267 0.5701388 0.4556008), wk = 0.0030303 k( 213) = ( 0.0351512 0.5655453 0.4610170), wk = 0.0030303 k( 214) = ( 0.0175756 0.5609517 0.4664333), wk = 0.0030303 k( 215) = ( 0.0000000 0.5563582 0.4718496), wk = 0.0030303 k( 216) = ( 0.0000000 0.5563582 0.4718496), wk = 0.0030303 k( 217) = ( 0.0069444 0.5452421 0.4849565), wk = 0.0030303 k( 218) = ( 0.0138889 0.5341261 0.4980634), wk = 0.0030303 k( 219) = ( 0.0208333 0.5230101 0.5111703), wk = 0.0030303 k( 220) = ( 0.0277778 0.5118940 0.5242773), wk = 0.0030303 k( 221) = ( 0.0347222 0.5007780 0.5373842), wk = 0.0030303 k( 222) = ( 0.0416667 0.4896619 0.5504912), wk = 0.0030303 k( 223) = ( 0.0486111 0.4785459 0.5635981), wk = 0.0030303 k( 224) = ( 0.0555556 0.4674298 0.5767050), wk = 0.0030303 k( 225) = ( 0.0625000 0.4563138 0.5898119), wk = 0.0030303 k( 226) = ( 0.0694444 0.4451978 0.6029189), wk = 0.0030303 k( 227) = ( 0.0763889 0.4340817 0.6160258), wk = 0.0030303 k( 228) = ( 0.0833333 0.4229657 0.6291327), wk = 0.0030303 k( 229) = ( 0.0902778 0.4118496 0.6422397), wk = 0.0030303 k( 230) = ( 0.0972222 0.4007336 0.6553466), wk = 0.0030303 k( 231) = ( 0.1041667 0.3896176 0.6684535), wk = 0.0030303 k( 232) = ( 0.1111111 0.3785015 0.6815605), wk = 0.0030303 k( 233) = ( 0.1180556 0.3673855 0.6946674), wk = 0.0030303 k( 234) = ( 0.1250000 0.3562694 0.7077743), wk = 0.0030303 k( 235) = ( 0.1319444 0.3451534 0.7208813), wk = 0.0030303 k( 236) = ( 0.1388889 0.3340374 0.7339882), wk = 0.0030303 k( 237) = ( 0.1458333 0.3229213 0.7470951), wk = 0.0030303 k( 238) = ( 0.1527778 0.3118053 0.7602021), wk = 0.0030303 k( 239) = ( 0.1597222 0.3006892 0.7733090), wk = 0.0030303 k( 240) = ( 0.1666667 0.2895732 0.7864159), wk = 0.0030303 k( 241) = ( 0.1736111 0.2784572 0.7995229), wk = 0.0030303 k( 242) = ( 0.1805556 0.2673411 0.8126298), wk = 0.0030303 k( 243) = ( 0.1875000 0.2562251 0.8257367), wk = 0.0030303 k( 244) = ( 0.1944444 0.2451090 0.8388436), wk = 0.0030303 k( 245) = ( 0.2013889 0.2339930 0.8519506), wk = 0.0030303 k( 246) = ( 0.2083333 0.2228770 0.8650575), wk = 0.0030303 k( 247) = ( 0.2152778 0.2117609 0.8781645), wk = 0.0030303 k( 248) = ( 0.2222222 0.2006449 0.8912714), wk = 0.0030303 k( 249) = ( 0.2291667 0.1895288 0.9043783), wk = 0.0030303 k( 250) = ( 0.2361111 0.1784128 0.9174852), wk = 0.0030303 k( 251) = ( 0.2430556 0.1672967 0.9305922), wk = 0.0030303 k( 252) = ( 0.2500000 0.1561807 0.9436991), wk = 0.0030303 k( 253) = ( 0.2500000 0.1561807 0.9436991), wk = 0.0030303 k( 254) = ( 0.2631579 0.1644007 0.9340068), wk = 0.0030303 k( 255) = ( 0.2763158 0.1726208 0.9243146), wk = 0.0030303 k( 256) = ( 0.2894737 0.1808408 0.9146223), wk = 0.0030303 k( 257) = ( 0.3026316 0.1890609 0.9049301), wk = 0.0030303 k( 258) = ( 0.3157895 0.1972809 0.8952378), wk = 0.0030303 k( 259) = ( 0.3289474 0.2055009 0.8855456), wk = 0.0030303 k( 260) = ( 0.3421053 0.2137210 0.8758533), wk = 0.0030303 k( 261) = ( 0.3552632 0.2219410 0.8661611), wk = 0.0030303 k( 262) = ( 0.3684211 0.2301610 0.8564688), wk = 0.0030303 k( 263) = ( 0.3815789 0.2383811 0.8467766), wk = 0.0030303 k( 264) = ( 0.3947368 0.2466011 0.8370843), wk = 0.0030303 k( 265) = ( 0.4078947 0.2548212 0.8273921), wk = 0.0030303 k( 266) = ( 0.4210526 0.2630412 0.8176998), wk = 0.0030303 k( 267) = ( 0.4342105 0.2712612 0.8080076), wk = 0.0030303 k( 268) = ( 0.4473684 0.2794813 0.7983153), wk = 0.0030303 k( 269) = ( 0.4605263 0.2877013 0.7886231), wk = 0.0030303 k( 270) = ( 0.4736842 0.2959213 0.7789308), wk = 0.0030303 k( 271) = ( 0.4868421 0.3041414 0.7692386), wk = 0.0030303 k( 272) = ( 0.5000000 0.3123614 0.7595463), wk = 0.0030303 k( 273) = ( 0.5000000 0.3123614 0.7595463), wk = 0.0030303 k( 274) = ( 0.5000000 0.3123614 0.7405577), wk = 0.0030303 k( 275) = ( 0.5000000 0.3123614 0.7215690), wk = 0.0030303 k( 276) = ( 0.5000000 0.3123614 0.7025803), wk = 0.0030303 k( 277) = ( 0.5000000 0.3123614 0.6835917), wk = 0.0030303 k( 278) = ( 0.5000000 0.3123614 0.6646030), wk = 0.0030303 k( 279) = ( 0.5000000 0.3123614 0.6456144), wk = 0.0030303 k( 280) = ( 0.5000000 0.3123614 0.6266257), wk = 0.0030303 k( 281) = ( 0.5000000 0.3123614 0.6076371), wk = 0.0030303 k( 282) = ( 0.5000000 0.3123614 0.5886484), wk = 0.0030303 k( 283) = ( 0.5000000 0.3123614 0.5696597), wk = 0.0030303 k( 284) = ( 0.5000000 0.3123614 0.5506711), wk = 0.0030303 k( 285) = ( 0.5000000 0.3123614 0.5316824), wk = 0.0030303 k( 286) = ( 0.5000000 0.3123614 0.5126938), wk = 0.0030303 k( 287) = ( 0.5000000 0.3123614 0.4937051), wk = 0.0030303 k( 288) = ( 0.5000000 0.3123614 0.4747165), wk = 0.0030303 k( 289) = ( 0.5000000 0.3123614 0.4557278), wk = 0.0030303 k( 290) = ( 0.5000000 0.3123614 0.4367391), wk = 0.0030303 k( 291) = ( 0.5000000 0.3123614 0.4177505), wk = 0.0030303 k( 292) = ( 0.5000000 0.3123614 0.3987618), wk = 0.0030303 k( 293) = ( 0.5000000 0.3123614 0.3797732), wk = 0.0030303 k( 294) = ( 0.5000000 0.3123614 0.3607845), wk = 0.0030303 k( 295) = ( 0.5000000 0.3123614 0.3417959), wk = 0.0030303 k( 296) = ( 0.5000000 0.3123614 0.3228072), wk = 0.0030303 k( 297) = ( 0.5000000 0.3123614 0.3038185), wk = 0.0030303 k( 298) = ( 0.5000000 0.3123614 0.2848299), wk = 0.0030303 k( 299) = ( 0.5000000 0.3123614 0.2658412), wk = 0.0030303 k( 300) = ( 0.5000000 0.3123614 0.2468525), wk = 0.0030303 k( 301) = ( 0.5000000 0.3123614 0.2278639), wk = 0.0030303 k( 302) = ( 0.5000000 0.3123614 0.2088752), wk = 0.0030303 k( 303) = ( 0.5000000 0.3123614 0.1898866), wk = 0.0030303 k( 304) = ( 0.5000000 0.3123614 0.1708979), wk = 0.0030303 k( 305) = ( 0.5000000 0.3123614 0.1519093), wk = 0.0030303 k( 306) = ( 0.5000000 0.3123614 0.1329206), wk = 0.0030303 k( 307) = ( 0.5000000 0.3123614 0.1139319), wk = 0.0030303 k( 308) = ( 0.5000000 0.3123614 0.0949433), wk = 0.0030303 k( 309) = ( 0.5000000 0.3123614 0.0759546), wk = 0.0030303 k( 310) = ( 0.5000000 0.3123614 0.0569660), wk = 0.0030303 k( 311) = ( 0.5000000 0.3123614 0.0379773), wk = 0.0030303 k( 312) = ( 0.5000000 0.3123614 0.0189887), wk = 0.0030303 k( 313) = ( 0.5000000 0.3123614 0.0000000), wk = 0.0030303 k( 314) = ( 0.0000000 0.0000000 0.9436991), wk = 0.0030303 k( 315) = ( 0.0156250 0.0097613 0.9436991), wk = 0.0030303 k( 316) = ( 0.0312500 0.0195226 0.9436991), wk = 0.0030303 k( 317) = ( 0.0468750 0.0292839 0.9436991), wk = 0.0030303 k( 318) = ( 0.0625000 0.0390452 0.9436991), wk = 0.0030303 k( 319) = ( 0.0781250 0.0488065 0.9436991), wk = 0.0030303 k( 320) = ( 0.0937500 0.0585678 0.9436991), wk = 0.0030303 k( 321) = ( 0.1093750 0.0683291 0.9436991), wk = 0.0030303 k( 322) = ( 0.1250000 0.0780904 0.9436991), wk = 0.0030303 k( 323) = ( 0.1406250 0.0878516 0.9436991), wk = 0.0030303 k( 324) = ( 0.1562500 0.0976129 0.9436991), wk = 0.0030303 k( 325) = ( 0.1718750 0.1073742 0.9436991), wk = 0.0030303 k( 326) = ( 0.1875000 0.1171355 0.9436991), wk = 0.0030303 k( 327) = ( 0.2031250 0.1268968 0.9436991), wk = 0.0030303 k( 328) = ( 0.2187500 0.1366581 0.9436991), wk = 0.0030303 k( 329) = ( 0.2343750 0.1464194 0.9436991), wk = 0.0030303 k( 330) = ( 0.2500000 0.1561807 0.9436991), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 53) = ( -0.0097570 0.0097570 0.5000000), wk = 0.0030303 k( 54) = ( -0.0195139 0.0195139 0.5000000), wk = 0.0030303 k( 55) = ( -0.0292709 0.0292709 0.5000000), wk = 0.0030303 k( 56) = ( -0.0390279 0.0390279 0.5000000), wk = 0.0030303 k( 57) = ( -0.0487848 0.0487848 0.5000000), wk = 0.0030303 k( 58) = ( -0.0585418 0.0585418 0.5000000), wk = 0.0030303 k( 59) = ( -0.0682988 0.0682988 0.5000000), wk = 0.0030303 k( 60) = ( -0.0780557 0.0780557 0.5000000), wk = 0.0030303 k( 61) = ( -0.0878127 0.0878127 0.5000000), wk = 0.0030303 k( 62) = ( -0.0975697 0.0975697 0.5000000), wk = 0.0030303 k( 63) = ( -0.0975697 0.0975697 0.5000000), wk = 0.0030303 k( 64) = ( -0.1045081 0.1045081 0.4930615), wk = 0.0030303 k( 65) = ( -0.1114466 0.1114466 0.4861231), wk = 0.0030303 k( 66) = ( -0.1183850 0.1183850 0.4791846), wk = 0.0030303 k( 67) = ( -0.1253235 0.1253235 0.4722462), wk = 0.0030303 k( 68) = ( -0.1322619 0.1322619 0.4653077), wk = 0.0030303 k( 69) = ( -0.1392004 0.1392004 0.4583693), wk = 0.0030303 k( 70) = ( -0.1461388 0.1461388 0.4514308), wk = 0.0030303 k( 71) = ( -0.1530773 0.1530773 0.4444924), wk = 0.0030303 k( 72) = ( -0.1600157 0.1600157 0.4375539), wk = 0.0030303 k( 73) = ( -0.1669542 0.1669542 0.4306155), wk = 0.0030303 k( 74) = ( -0.1738927 0.1738926 0.4236770), wk = 0.0030303 k( 75) = ( -0.1808311 0.1808311 0.4167385), wk = 0.0030303 k( 76) = ( -0.1877696 0.1877696 0.4098001), wk = 0.0030303 k( 77) = ( -0.1947080 0.1947080 0.4028616), wk = 0.0030303 k( 78) = ( -0.2016465 0.2016465 0.3959232), wk = 0.0030303 k( 79) = ( -0.2085849 0.2085849 0.3889847), wk = 0.0030303 k( 80) = ( -0.2155234 0.2155234 0.3820463), wk = 0.0030303 k( 81) = ( -0.2224618 0.2224618 0.3751078), wk = 0.0030303 k( 82) = ( -0.2294003 0.2294003 0.3681694), wk = 0.0030303 k( 83) = ( -0.2363387 0.2363387 0.3612309), wk = 0.0030303 k( 84) = ( -0.2432772 0.2432772 0.3542925), wk = 0.0030303 k( 85) = ( -0.2502157 0.2502157 0.3473540), wk = 0.0030303 k( 86) = ( -0.2571541 0.2571541 0.3404155), wk = 0.0030303 k( 87) = ( -0.2640926 0.2640926 0.3334771), wk = 0.0030303 k( 88) = ( -0.2710310 0.2710310 0.3265386), wk = 0.0030303 k( 89) = ( -0.2779695 0.2779695 0.3196002), wk = 0.0030303 k( 90) = ( -0.2849079 0.2849079 0.3126617), wk = 0.0030303 k( 91) = ( -0.2918464 0.2918464 0.3057233), wk = 0.0030303 k( 92) = ( -0.2987848 0.2987848 0.2987848), wk = 0.0030303 k( 93) = ( -0.2987848 0.2987848 0.2987848), wk = 0.0030303 k( 94) = ( -0.2916709 0.2916709 0.2916709), wk = 0.0030303 k( 95) = ( -0.2845570 0.2845570 0.2845570), wk = 0.0030303 k( 96) = ( -0.2774431 0.2774431 0.2774431), wk = 0.0030303 k( 97) = ( -0.2703291 0.2703291 0.2703291), wk = 0.0030303 k( 98) = ( -0.2632152 0.2632152 0.2632152), wk = 0.0030303 k( 99) = ( -0.2561013 0.2561013 0.2561013), wk = 0.0030303 k( 100) = ( -0.2489874 0.2489874 0.2489874), wk = 0.0030303 k( 101) = ( -0.2418734 0.2418734 0.2418734), wk = 0.0030303 k( 102) = ( -0.2347595 0.2347595 0.2347595), wk = 0.0030303 k( 103) = ( -0.2276456 0.2276456 0.2276456), wk = 0.0030303 k( 104) = ( -0.2205317 0.2205317 0.2205317), wk = 0.0030303 k( 105) = ( -0.2134177 0.2134177 0.2134177), wk = 0.0030303 k( 106) = ( -0.2063038 0.2063038 0.2063038), wk = 0.0030303 k( 107) = ( -0.1991899 0.1991899 0.1991899), wk = 0.0030303 k( 108) = ( -0.1920760 0.1920760 0.1920760), wk = 0.0030303 k( 109) = ( -0.1849620 0.1849620 0.1849620), wk = 0.0030303 k( 110) = ( -0.1778481 0.1778481 0.1778481), wk = 0.0030303 k( 111) = ( -0.1707342 0.1707342 0.1707342), wk = 0.0030303 k( 112) = ( -0.1636203 0.1636203 0.1636203), wk = 0.0030303 k( 113) = ( -0.1565063 0.1565063 0.1565063), wk = 0.0030303 k( 114) = ( -0.1493924 0.1493924 0.1493924), wk = 0.0030303 k( 115) = ( -0.1422785 0.1422785 0.1422785), wk = 0.0030303 k( 116) = ( -0.1351646 0.1351646 0.1351646), wk = 0.0030303 k( 117) = ( -0.1280506 0.1280506 0.1280506), wk = 0.0030303 k( 118) = ( -0.1209367 0.1209367 0.1209367), wk = 0.0030303 k( 119) = ( -0.1138228 0.1138228 0.1138228), wk = 0.0030303 k( 120) = ( -0.1067089 0.1067089 0.1067089), wk = 0.0030303 k( 121) = ( -0.0995949 0.0995949 0.0995949), wk = 0.0030303 k( 122) = ( -0.0924810 0.0924810 0.0924810), wk = 0.0030303 k( 123) = ( -0.0853671 0.0853671 0.0853671), wk = 0.0030303 k( 124) = ( -0.0782532 0.0782532 0.0782532), wk = 0.0030303 k( 125) = ( -0.0711392 0.0711392 0.0711392), wk = 0.0030303 k( 126) = ( -0.0640253 0.0640253 0.0640253), wk = 0.0030303 k( 127) = ( -0.0569114 0.0569114 0.0569114), wk = 0.0030303 k( 128) = ( -0.0497975 0.0497975 0.0497975), wk = 0.0030303 k( 129) = ( -0.0426836 0.0426836 0.0426836), wk = 0.0030303 k( 130) = ( -0.0355696 0.0355696 0.0355696), wk = 0.0030303 k( 131) = ( -0.0284557 0.0284557 0.0284557), wk = 0.0030303 k( 132) = ( -0.0213418 0.0213418 0.0213418), wk = 0.0030303 k( 133) = ( -0.0142279 0.0142278 0.0142279), wk = 0.0030303 k( 134) = ( -0.0071139 0.0071139 0.0071139), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0030303 k( 138) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0030303 k( 139) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0030303 k( 140) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0030303 k( 141) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0030303 k( 142) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0030303 k( 143) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0030303 k( 144) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0030303 k( 145) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0030303 k( 146) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0030303 k( 147) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0030303 k( 148) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0030303 k( 149) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0030303 k( 150) = ( 0.2258064 0.2258065 -0.2258065), wk = 0.0030303 k( 151) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0030303 k( 152) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0030303 k( 153) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0030303 k( 154) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0030303 k( 155) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0030303 k( 156) = ( 0.3225807 0.3225807 -0.3225806), wk = 0.0030303 k( 157) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0030303 k( 158) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0030303 k( 159) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0030303 k( 160) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0030303 k( 161) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0030303 k( 162) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0030303 k( 163) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0030303 k( 164) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0030303 k( 165) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0030303 k( 166) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0030303 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 169) = ( 0.4930616 0.5069385 -0.4930616), wk = 0.0030303 k( 170) = ( 0.4861231 0.5138769 -0.4861231), wk = 0.0030303 k( 171) = ( 0.4791846 0.5208154 -0.4791846), wk = 0.0030303 k( 172) = ( 0.4722462 0.5277538 -0.4722462), wk = 0.0030303 k( 173) = ( 0.4653077 0.5346923 -0.4653077), wk = 0.0030303 k( 174) = ( 0.4583693 0.5416307 -0.4583693), wk = 0.0030303 k( 175) = ( 0.4514308 0.5485692 -0.4514308), wk = 0.0030303 k( 176) = ( 0.4444924 0.5555076 -0.4444924), wk = 0.0030303 k( 177) = ( 0.4375539 0.5624461 -0.4375539), wk = 0.0030303 k( 178) = ( 0.4306155 0.5693845 -0.4306155), wk = 0.0030303 k( 179) = ( 0.4236770 0.5763230 -0.4236770), wk = 0.0030303 k( 180) = ( 0.4167385 0.5832614 -0.4167385), wk = 0.0030303 k( 181) = ( 0.4098001 0.5901999 -0.4098001), wk = 0.0030303 k( 182) = ( 0.4028616 0.5971384 -0.4028616), wk = 0.0030303 k( 183) = ( 0.3959232 0.6040768 -0.3959232), wk = 0.0030303 k( 184) = ( 0.3889847 0.6110153 -0.3889847), wk = 0.0030303 k( 185) = ( 0.3820463 0.6179537 -0.3820463), wk = 0.0030303 k( 186) = ( 0.3751078 0.6248922 -0.3751078), wk = 0.0030303 k( 187) = ( 0.3681694 0.6318306 -0.3681694), wk = 0.0030303 k( 188) = ( 0.3612309 0.6387691 -0.3612309), wk = 0.0030303 k( 189) = ( 0.3542925 0.6457075 -0.3542925), wk = 0.0030303 k( 190) = ( 0.3473540 0.6526460 -0.3473540), wk = 0.0030303 k( 191) = ( 0.3404156 0.6595844 -0.3404155), wk = 0.0030303 k( 192) = ( 0.3334771 0.6665229 -0.3334771), wk = 0.0030303 k( 193) = ( 0.3265386 0.6734614 -0.3265386), wk = 0.0030303 k( 194) = ( 0.3196002 0.6803998 -0.3196002), wk = 0.0030303 k( 195) = ( 0.3126617 0.6873383 -0.3126617), wk = 0.0030303 k( 196) = ( 0.3057233 0.6942767 -0.3057233), wk = 0.0030303 k( 197) = ( 0.2987848 0.7012152 -0.2987848), wk = 0.0030303 k( 198) = ( 0.2987848 0.7012152 -0.2987848), wk = 0.0030303 k( 199) = ( 0.2812093 0.6893790 -0.2812093), wk = 0.0030303 k( 200) = ( 0.2636337 0.6775428 -0.2636337), wk = 0.0030303 k( 201) = ( 0.2460581 0.6657066 -0.2460581), wk = 0.0030303 k( 202) = ( 0.2284825 0.6538704 -0.2284825), wk = 0.0030303 k( 203) = ( 0.2109069 0.6420342 -0.2109069), wk = 0.0030303 k( 204) = ( 0.1933314 0.6301980 -0.1933314), wk = 0.0030303 k( 205) = ( 0.1757558 0.6183619 -0.1757558), wk = 0.0030303 k( 206) = ( 0.1581802 0.6065257 -0.1581802), wk = 0.0030303 k( 207) = ( 0.1406046 0.5946895 -0.1406046), wk = 0.0030303 k( 208) = ( 0.1230291 0.5828533 -0.1230290), wk = 0.0030303 k( 209) = ( 0.1054535 0.5710171 -0.1054535), wk = 0.0030303 k( 210) = ( 0.0878779 0.5591809 -0.0878779), wk = 0.0030303 k( 211) = ( 0.0703023 0.5473448 -0.0703023), wk = 0.0030303 k( 212) = ( 0.0527267 0.5355086 -0.0527267), wk = 0.0030303 k( 213) = ( 0.0351512 0.5236724 -0.0351512), wk = 0.0030303 k( 214) = ( 0.0175756 0.5118362 -0.0175756), wk = 0.0030303 k( 215) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 217) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030303 k( 218) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030303 k( 219) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030303 k( 220) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030303 k( 221) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030303 k( 222) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030303 k( 223) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030303 k( 224) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030303 k( 225) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030303 k( 226) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030303 k( 227) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030303 k( 228) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030303 k( 229) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030303 k( 230) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030303 k( 231) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030303 k( 232) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030303 k( 233) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030303 k( 234) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030303 k( 235) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030303 k( 236) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030303 k( 237) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030303 k( 238) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030303 k( 239) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030303 k( 240) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030303 k( 241) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030303 k( 242) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030303 k( 243) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030303 k( 244) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030303 k( 245) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030303 k( 246) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030303 k( 247) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030303 k( 248) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030303 k( 249) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030303 k( 250) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030303 k( 251) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030303 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 254) = ( 0.2631579 0.2631579 0.2317069), wk = 0.0030303 k( 255) = ( 0.2763158 0.2763158 0.2134137), wk = 0.0030303 k( 256) = ( 0.2894737 0.2894737 0.1951206), wk = 0.0030303 k( 257) = ( 0.3026316 0.3026316 0.1768274), wk = 0.0030303 k( 258) = ( 0.3157895 0.3157895 0.1585343), wk = 0.0030303 k( 259) = ( 0.3289474 0.3289474 0.1402412), wk = 0.0030303 k( 260) = ( 0.3421053 0.3421053 0.1219480), wk = 0.0030303 k( 261) = ( 0.3552632 0.3552632 0.1036549), wk = 0.0030303 k( 262) = ( 0.3684211 0.3684211 0.0853617), wk = 0.0030303 k( 263) = ( 0.3815789 0.3815789 0.0670686), wk = 0.0030303 k( 264) = ( 0.3947368 0.3947368 0.0487755), wk = 0.0030303 k( 265) = ( 0.4078947 0.4078947 0.0304823), wk = 0.0030303 k( 266) = ( 0.4210526 0.4210526 0.0121892), wk = 0.0030303 k( 267) = ( 0.4342105 0.4342105 -0.0061040), wk = 0.0030303 k( 268) = ( 0.4473684 0.4473684 -0.0243971), wk = 0.0030303 k( 269) = ( 0.4605263 0.4605263 -0.0426902), wk = 0.0030303 k( 270) = ( 0.4736842 0.4736842 -0.0609834), wk = 0.0030303 k( 271) = ( 0.4868421 0.4868421 -0.0792765), wk = 0.0030303 k( 272) = ( 0.5000000 0.5000000 -0.0975697), wk = 0.0030303 k( 273) = ( 0.5000000 0.5000000 -0.0975697), wk = 0.0030303 k( 274) = ( 0.5000000 0.5000000 -0.1076304), wk = 0.0030303 k( 275) = ( 0.5000000 0.5000000 -0.1176912), wk = 0.0030303 k( 276) = ( 0.5000000 0.5000000 -0.1277519), wk = 0.0030303 k( 277) = ( 0.5000000 0.5000000 -0.1378127), wk = 0.0030303 k( 278) = ( 0.5000000 0.5000000 -0.1478735), wk = 0.0030303 k( 279) = ( 0.5000000 0.5000000 -0.1579342), wk = 0.0030303 k( 280) = ( 0.5000000 0.5000000 -0.1679950), wk = 0.0030303 k( 281) = ( 0.5000000 0.5000000 -0.1780557), wk = 0.0030303 k( 282) = ( 0.5000000 0.5000000 -0.1881165), wk = 0.0030303 k( 283) = ( 0.5000000 0.5000000 -0.1981772), wk = 0.0030303 k( 284) = ( 0.5000000 0.5000000 -0.2082380), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 -0.2182988), wk = 0.0030303 k( 286) = ( 0.5000000 0.5000000 -0.2283595), wk = 0.0030303 k( 287) = ( 0.5000000 0.5000000 -0.2384203), wk = 0.0030303 k( 288) = ( 0.5000000 0.5000000 -0.2484810), wk = 0.0030303 k( 289) = ( 0.5000000 0.5000000 -0.2585418), wk = 0.0030303 k( 290) = ( 0.5000000 0.5000000 -0.2686026), wk = 0.0030303 k( 291) = ( 0.5000000 0.5000000 -0.2786633), wk = 0.0030303 k( 292) = ( 0.5000000 0.5000000 -0.2887241), wk = 0.0030303 k( 293) = ( 0.5000000 0.5000000 -0.2987848), wk = 0.0030303 k( 294) = ( 0.5000000 0.5000000 -0.3088456), wk = 0.0030303 k( 295) = ( 0.5000000 0.5000000 -0.3189063), wk = 0.0030303 k( 296) = ( 0.5000000 0.5000000 -0.3289671), wk = 0.0030303 k( 297) = ( 0.5000000 0.5000000 -0.3390279), wk = 0.0030303 k( 298) = ( 0.5000000 0.5000000 -0.3490886), wk = 0.0030303 k( 299) = ( 0.5000000 0.5000000 -0.3591494), wk = 0.0030303 k( 300) = ( 0.5000000 0.5000000 -0.3692101), wk = 0.0030303 k( 301) = ( 0.5000000 0.5000000 -0.3792709), wk = 0.0030303 k( 302) = ( 0.5000000 0.5000000 -0.3893317), wk = 0.0030303 k( 303) = ( 0.5000000 0.5000000 -0.3993924), wk = 0.0030303 k( 304) = ( 0.5000000 0.5000000 -0.4094532), wk = 0.0030303 k( 305) = ( 0.5000000 0.5000000 -0.4195139), wk = 0.0030303 k( 306) = ( 0.5000000 0.5000000 -0.4295747), wk = 0.0030303 k( 307) = ( 0.5000000 0.5000000 -0.4396355), wk = 0.0030303 k( 308) = ( 0.5000000 0.5000000 -0.4496962), wk = 0.0030303 k( 309) = ( 0.5000000 0.5000000 -0.4597570), wk = 0.0030303 k( 310) = ( 0.5000000 0.5000000 -0.4698177), wk = 0.0030303 k( 311) = ( 0.5000000 0.5000000 -0.4798785), wk = 0.0030303 k( 312) = ( 0.5000000 0.5000000 -0.4899392), wk = 0.0030303 k( 313) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 314) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 315) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0030303 k( 316) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030303 k( 317) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0030303 k( 318) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030303 k( 319) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0030303 k( 320) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030303 k( 321) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0030303 k( 322) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030303 k( 323) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0030303 k( 324) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030303 k( 325) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0030303 k( 326) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030303 k( 327) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0030303 k( 328) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030303 k( 329) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0030303 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 Dense grid: 104371 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 24295 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 136, 40) NL pseudopotentials 0.11 Mb ( 68, 110) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2175) G-vector shells 0.01 Mb ( 990) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 136, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 110, 2, 40) The potential is recalculated from file : ./SrGe3Pt.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.9 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.9 secs Computing kpt #: 4 total cpu time spent up to now is 50.6 secs Computing kpt #: 5 total cpu time spent up to now is 52.3 secs Computing kpt #: 6 total cpu time spent up to now is 54.0 secs Computing kpt #: 7 total cpu time spent up to now is 55.4 secs Computing kpt #: 8 total cpu time spent up to now is 56.6 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 59.1 secs Computing kpt #: 11 total cpu time spent up to now is 60.3 secs Computing kpt #: 12 total cpu time spent up to now is 61.5 secs Computing kpt #: 13 total cpu time spent up to now is 62.6 secs Computing kpt #: 14 total cpu time spent up to now is 63.9 secs Computing kpt #: 15 total cpu time spent up to now is 65.1 secs Computing kpt #: 16 total cpu time spent up to now is 66.3 secs Computing kpt #: 17 total cpu time spent up to now is 67.5 secs Computing kpt #: 18 total cpu time spent up to now is 68.7 secs Computing kpt #: 19 total cpu time spent up to now is 70.0 secs Computing kpt #: 20 total cpu time spent up to now is 71.3 secs Computing kpt #: 21 total cpu time spent up to now is 72.6 secs Computing kpt #: 22 total cpu time spent up to now is 73.9 secs Computing kpt #: 23 total cpu time spent up to now is 75.3 secs Computing kpt #: 24 total cpu time spent up to now is 76.7 secs Computing kpt #: 25 total cpu time spent up to now is 78.3 secs Computing kpt #: 26 total cpu time spent up to now is 80.0 secs Computing kpt #: 27 total cpu time spent up to now is 81.9 secs Computing kpt #: 28 total cpu time spent up to now is 84.3 secs Computing kpt #: 29 total cpu time spent up to now is 87.1 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.0 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 33 total cpu time spent up to now is 98.3 secs Computing kpt #: 34 total cpu time spent up to now is 100.7 secs Computing kpt #: 35 total cpu time spent up to now is 103.3 secs Computing kpt #: 36 total cpu time spent up to now is 105.9 secs Computing kpt #: 37 total cpu time spent up to now is 108.1 secs Computing kpt #: 38 total cpu time spent up to now is 110.5 secs Computing kpt #: 39 total cpu time spent up to now is 112.5 secs Computing kpt #: 40 total cpu time spent up to now is 114.5 secs Computing kpt #: 41 total cpu time spent up to now is 116.2 secs Computing kpt #: 42 total cpu time spent up to now is 117.9 secs Computing kpt #: 43 total cpu time spent up to now is 119.5 secs Computing kpt #: 44 total cpu time spent up to now is 121.1 secs Computing kpt #: 45 total cpu time spent up to now is 122.6 secs Computing kpt #: 46 total cpu time spent up to now is 124.2 secs Computing kpt #: 47 total cpu time spent up to now is 125.7 secs Computing kpt #: 48 total cpu time spent up to now is 127.3 secs Computing kpt #: 49 total cpu time spent up to now is 129.1 secs Computing kpt #: 50 total cpu time spent up to now is 131.0 secs Computing kpt #: 51 total cpu time spent up to now is 132.8 secs Computing kpt #: 52 total cpu time spent up to now is 134.5 secs Computing kpt #: 53 total cpu time spent up to now is 136.4 secs Computing kpt #: 54 total cpu time spent up to now is 138.2 secs Computing kpt #: 55 total cpu time spent up to now is 140.2 secs Computing kpt #: 56 total cpu time spent up to now is 142.0 secs Computing kpt #: 57 total cpu time spent up to now is 143.7 secs Computing kpt #: 58 total cpu time spent up to now is 145.7 secs Computing kpt #: 59 total cpu time spent up to now is 147.3 secs Computing kpt #: 60 total cpu time spent up to now is 148.9 secs Computing kpt #: 61 total cpu time spent up to now is 150.4 secs Computing kpt #: 62 total cpu time spent up to now is 152.4 secs Computing kpt #: 63 total cpu time spent up to now is 154.6 secs Computing kpt #: 64 total cpu time spent up to now is 156.7 secs Computing kpt #: 65 total cpu time spent up to now is 158.2 secs Computing kpt #: 66 total cpu time spent up to now is 159.7 secs Computing kpt #: 67 total cpu time spent up to now is 160.9 secs Computing kpt #: 68 total cpu time spent up to now is 162.2 secs Computing kpt #: 69 total cpu time spent up to now is 163.4 secs Computing kpt #: 70 total cpu time spent up to now is 164.7 secs Computing kpt #: 71 total cpu time spent up to now is 166.1 secs Computing kpt #: 72 total cpu time spent up to now is 167.4 secs Computing kpt #: 73 total cpu time spent up to now is 168.7 secs Computing kpt #: 74 total cpu time spent up to now is 170.0 secs Computing kpt #: 75 total cpu time spent up to now is 171.4 secs Computing kpt #: 76 total cpu time spent up to now is 172.9 secs Computing kpt #: 77 total cpu time spent up to now is 174.4 secs Computing kpt #: 78 total cpu time spent up to now is 175.9 secs Computing kpt #: 79 total cpu time spent up to now is 177.6 secs Computing kpt #: 80 total cpu time spent up to now is 179.3 secs Computing kpt #: 81 total cpu time spent up to now is 181.1 secs Computing kpt #: 82 total cpu time spent up to now is 182.7 secs Computing kpt #: 83 total cpu time spent up to now is 184.3 secs Computing kpt #: 84 total cpu time spent up to now is 186.0 secs Computing kpt #: 85 total cpu time spent up to now is 187.6 secs Computing kpt #: 86 total cpu time spent up to now is 189.3 secs Computing kpt #: 87 total cpu time spent up to now is 191.1 secs Computing kpt #: 88 total cpu time spent up to now is 192.8 secs Computing kpt #: 89 total cpu time spent up to now is 194.4 secs Computing kpt #: 90 total cpu time spent up to now is 196.2 secs Computing kpt #: 91 total cpu time spent up to now is 197.8 secs Computing kpt #: 92 total cpu time spent up to now is 199.7 secs Computing kpt #: 93 total cpu time spent up to now is 202.0 secs Computing kpt #: 94 total cpu time spent up to now is 203.7 secs Computing kpt #: 95 total cpu time spent up to now is 205.4 secs Computing kpt #: 96 total cpu time spent up to now is 207.0 secs Computing kpt #: 97 total cpu time spent up to now is 208.7 secs Computing kpt #: 98 total cpu time spent up to now is 210.3 secs Computing kpt #: 99 total cpu time spent up to now is 211.8 secs Computing kpt #: 100 total cpu time spent up to now is 213.3 secs Computing kpt #: 101 total cpu time spent up to now is 214.7 secs Computing kpt #: 102 total cpu time spent up to now is 216.1 secs Computing kpt #: 103 total cpu time spent up to now is 217.5 secs Computing kpt #: 104 total cpu time spent up to now is 218.8 secs Computing kpt #: 105 total cpu time spent up to now is 220.2 secs Computing kpt #: 106 total cpu time spent up to now is 221.7 secs Computing kpt #: 107 total cpu time spent up to now is 223.2 secs Computing kpt #: 108 total cpu time spent up to now is 225.1 secs Computing kpt #: 109 total cpu time spent up to now is 226.7 secs Computing kpt #: 110 total cpu time spent up to now is 228.3 secs Computing kpt #: 111 total cpu time spent up to now is 229.8 secs Computing kpt #: 112 total cpu time spent up to now is 231.2 secs Computing kpt #: 113 total cpu time spent up to now is 232.5 secs Computing kpt #: 114 total cpu time spent up to now is 233.8 secs Computing kpt #: 115 total cpu time spent up to now is 235.0 secs Computing kpt #: 116 total cpu time spent up to now is 236.2 secs Computing kpt #: 117 total cpu time spent up to now is 237.3 secs Computing kpt #: 118 total cpu time spent up to now is 238.5 secs Computing kpt #: 119 total cpu time spent up to now is 239.7 secs Computing kpt #: 120 total cpu time spent up to now is 240.9 secs Computing kpt #: 121 total cpu time spent up to now is 242.0 secs Computing kpt #: 122 total cpu time spent up to now is 243.3 secs Computing kpt #: 123 total cpu time spent up to now is 244.6 secs Computing kpt #: 124 total cpu time spent up to now is 245.8 secs Computing kpt #: 125 total cpu time spent up to now is 247.0 secs Computing kpt #: 126 total cpu time spent up to now is 248.3 secs Computing kpt #: 127 total cpu time spent up to now is 249.5 secs Computing kpt #: 128 total cpu time spent up to now is 250.9 secs Computing kpt #: 129 total cpu time spent up to now is 252.4 secs Computing kpt #: 130 total cpu time spent up to now is 254.0 secs Computing kpt #: 131 total cpu time spent up to now is 255.6 secs Computing kpt #: 132 total cpu time spent up to now is 257.4 secs Computing kpt #: 133 total cpu time spent up to now is 259.3 secs Computing kpt #: 134 total cpu time spent up to now is 261.3 secs Computing kpt #: 135 total cpu time spent up to now is 263.2 secs Computing kpt #: 136 total cpu time spent up to now is 265.1 secs Computing kpt #: 137 total cpu time spent up to now is 267.0 secs Computing kpt #: 138 total cpu time spent up to now is 268.9 secs Computing kpt #: 139 total cpu time spent up to now is 270.5 secs Computing kpt #: 140 total cpu time spent up to now is 272.2 secs Computing kpt #: 141 total cpu time spent up to now is 273.8 secs Computing kpt #: 142 total cpu time spent up to now is 275.4 secs Computing kpt #: 143 total cpu time spent up to now is 276.9 secs Computing kpt #: 144 total cpu time spent up to now is 278.4 secs Computing kpt #: 145 total cpu time spent up to now is 280.2 secs Computing kpt #: 146 total cpu time spent up to now is 281.7 secs Computing kpt #: 147 total cpu time spent up to now is 283.3 secs Computing kpt #: 148 total cpu time spent up to now is 284.8 secs Computing kpt #: 149 total cpu time spent up to now is 286.4 secs Computing kpt #: 150 total cpu time spent up to now is 287.9 secs Computing kpt #: 151 total cpu time spent up to now is 289.4 secs Computing kpt #: 152 total cpu time spent up to now is 291.0 secs Computing kpt #: 153 total cpu time spent up to now is 292.6 secs Computing kpt #: 154 total cpu time spent up to now is 294.0 secs Computing kpt #: 155 total cpu time spent up to now is 295.5 secs Computing kpt #: 156 total cpu time spent up to now is 296.9 secs Computing kpt #: 157 total cpu time spent up to now is 298.5 secs Computing kpt #: 158 total cpu time spent up to now is 299.9 secs Computing kpt #: 159 total cpu time spent up to now is 301.3 secs Computing kpt #: 160 total cpu time spent up to now is 302.8 secs Computing kpt #: 161 total cpu time spent up to now is 304.5 secs Computing kpt #: 162 total cpu time spent up to now is 306.1 secs Computing kpt #: 163 total cpu time spent up to now is 307.8 secs Computing kpt #: 164 total cpu time spent up to now is 309.4 secs Computing kpt #: 165 total cpu time spent up to now is 311.0 secs Computing kpt #: 166 total cpu time spent up to now is 312.7 secs Computing kpt #: 167 total cpu time spent up to now is 314.2 secs Computing kpt #: 168 total cpu time spent up to now is 315.7 secs Computing kpt #: 169 total cpu time spent up to now is 317.4 secs Computing kpt #: 170 total cpu time spent up to now is 319.2 secs Computing kpt #: 171 total cpu time spent up to now is 321.0 secs Computing kpt #: 172 total cpu time spent up to now is 323.0 secs Computing kpt #: 173 total cpu time spent up to now is 324.8 secs Computing kpt #: 174 total cpu time spent up to now is 326.8 secs Computing kpt #: 175 total cpu time spent up to now is 328.7 secs Computing kpt #: 176 total cpu time spent up to now is 330.4 secs Computing kpt #: 177 total cpu time spent up to now is 332.0 secs Computing kpt #: 178 total cpu time spent up to now is 333.4 secs Computing kpt #: 179 total cpu time spent up to now is 334.9 secs Computing kpt #: 180 total cpu time spent up to now is 336.2 secs Computing kpt #: 181 total cpu time spent up to now is 337.6 secs Computing kpt #: 182 total cpu time spent up to now is 339.0 secs Computing kpt #: 183 total cpu time spent up to now is 340.4 secs Computing kpt #: 184 total cpu time spent up to now is 341.9 secs Computing kpt #: 185 total cpu time spent up to now is 343.4 secs Computing kpt #: 186 total cpu time spent up to now is 345.1 secs Computing kpt #: 187 total cpu time spent up to now is 346.7 secs Computing kpt #: 188 total cpu time spent up to now is 348.3 secs Computing kpt #: 189 total cpu time spent up to now is 349.9 secs Computing kpt #: 190 total cpu time spent up to now is 351.5 secs Computing kpt #: 191 total cpu time spent up to now is 353.2 secs Computing kpt #: 192 total cpu time spent up to now is 354.9 secs Computing kpt #: 193 total cpu time spent up to now is 356.6 secs Computing kpt #: 194 total cpu time spent up to now is 358.3 secs Computing kpt #: 195 total cpu time spent up to now is 359.9 secs Computing kpt #: 196 total cpu time spent up to now is 361.7 secs Computing kpt #: 197 total cpu time spent up to now is 363.5 secs Computing kpt #: 198 total cpu time spent up to now is 365.2 secs Computing kpt #: 199 total cpu time spent up to now is 366.8 secs Computing kpt #: 200 total cpu time spent up to now is 368.3 secs Computing kpt #: 201 total cpu time spent up to now is 369.8 secs Computing kpt #: 202 total cpu time spent up to now is 371.1 secs Computing kpt #: 203 total cpu time spent up to now is 372.4 secs Computing kpt #: 204 total cpu time spent up to now is 373.7 secs Computing kpt #: 205 total cpu time spent up to now is 375.0 secs Computing kpt #: 206 total cpu time spent up to now is 376.3 secs Computing kpt #: 207 total cpu time spent up to now is 377.5 secs Computing kpt #: 208 total cpu time spent up to now is 378.7 secs Computing kpt #: 209 total cpu time spent up to now is 379.9 secs Computing kpt #: 210 total cpu time spent up to now is 381.1 secs Computing kpt #: 211 total cpu time spent up to now is 382.3 secs Computing kpt #: 212 total cpu time spent up to now is 383.5 secs Computing kpt #: 213 total cpu time spent up to now is 384.7 secs Computing kpt #: 214 total cpu time spent up to now is 385.9 secs Computing kpt #: 215 total cpu time spent up to now is 387.2 secs Computing kpt #: 216 total cpu time spent up to now is 388.4 secs Computing kpt #: 217 total cpu time spent up to now is 389.6 secs Computing kpt #: 218 total cpu time spent up to now is 390.8 secs Computing kpt #: 219 total cpu time spent up to now is 392.0 secs Computing kpt #: 220 total cpu time spent up to now is 393.2 secs Computing kpt #: 221 total cpu time spent up to now is 394.5 secs Computing kpt #: 222 total cpu time spent up to now is 395.8 secs Computing kpt #: 223 total cpu time spent up to now is 397.1 secs Computing kpt #: 224 total cpu time spent up to now is 398.5 secs Computing kpt #: 225 total cpu time spent up to now is 400.0 secs Computing kpt #: 226 total cpu time spent up to now is 401.4 secs Computing kpt #: 227 total cpu time spent up to now is 403.0 secs Computing kpt #: 228 total cpu time spent up to now is 405.0 secs Computing kpt #: 229 total cpu time spent up to now is 406.7 secs Computing kpt #: 230 total cpu time spent up to now is 408.2 secs Computing kpt #: 231 total cpu time spent up to now is 409.6 secs Computing kpt #: 232 total cpu time spent up to now is 411.1 secs Computing kpt #: 233 total cpu time spent up to now is 412.4 secs Computing kpt #: 234 total cpu time spent up to now is 413.7 secs Computing kpt #: 235 total cpu time spent up to now is 415.1 secs Computing kpt #: 236 total cpu time spent up to now is 416.4 secs Computing kpt #: 237 total cpu time spent up to now is 417.7 secs Computing kpt #: 238 total cpu time spent up to now is 419.0 secs Computing kpt #: 239 total cpu time spent up to now is 420.3 secs Computing kpt #: 240 total cpu time spent up to now is 421.5 secs Computing kpt #: 241 total cpu time spent up to now is 422.8 secs Computing kpt #: 242 total cpu time spent up to now is 424.1 secs Computing kpt #: 243 total cpu time spent up to now is 425.4 secs Computing kpt #: 244 total cpu time spent up to now is 426.7 secs Computing kpt #: 245 total cpu time spent up to now is 428.0 secs Computing kpt #: 246 total cpu time spent up to now is 429.3 secs Computing kpt #: 247 total cpu time spent up to now is 430.6 secs Computing kpt #: 248 total cpu time spent up to now is 432.0 secs Computing kpt #: 249 total cpu time spent up to now is 433.3 secs Computing kpt #: 250 total cpu time spent up to now is 434.7 secs Computing kpt #: 251 total cpu time spent up to now is 436.3 secs Computing kpt #: 252 total cpu time spent up to now is 437.8 secs Computing kpt #: 253 total cpu time spent up to now is 439.3 secs Computing kpt #: 254 total cpu time spent up to now is 440.8 secs Computing kpt #: 255 total cpu time spent up to now is 442.3 secs Computing kpt #: 256 total cpu time spent up to now is 443.8 secs Computing kpt #: 257 total cpu time spent up to now is 445.2 secs Computing kpt #: 258 total cpu time spent up to now is 446.7 secs Computing kpt #: 259 total cpu time spent up to now is 448.1 secs Computing kpt #: 260 total cpu time spent up to now is 449.5 secs Computing kpt #: 261 total cpu time spent up to now is 451.0 secs Computing kpt #: 262 total cpu time spent up to now is 453.1 secs Computing kpt #: 263 total cpu time spent up to now is 455.3 secs Computing kpt #: 264 total cpu time spent up to now is 457.6 secs Computing kpt #: 265 total cpu time spent up to now is 459.2 secs Computing kpt #: 266 total cpu time spent up to now is 460.7 secs Computing kpt #: 267 total cpu time spent up to now is 462.2 secs Computing kpt #: 268 total cpu time spent up to now is 463.8 secs Computing kpt #: 269 total cpu time spent up to now is 465.4 secs Computing kpt #: 270 total cpu time spent up to now is 467.0 secs Computing kpt #: 271 total cpu time spent up to now is 468.4 secs Computing kpt #: 272 total cpu time spent up to now is 469.8 secs Computing kpt #: 273 total cpu time spent up to now is 471.2 secs Computing kpt #: 274 total cpu time spent up to now is 472.6 secs Computing kpt #: 275 total cpu time spent up to now is 473.9 secs Computing kpt #: 276 total cpu time spent up to now is 475.2 secs Computing kpt #: 277 total cpu time spent up to now is 476.5 secs Computing kpt #: 278 total cpu time spent up to now is 477.7 secs Computing kpt #: 279 total cpu time spent up to now is 479.0 secs Computing kpt #: 280 total cpu time spent up to now is 480.3 secs Computing kpt #: 281 total cpu time spent up to now is 481.5 secs Computing kpt #: 282 total cpu time spent up to now is 482.8 secs Computing kpt #: 283 total cpu time spent up to now is 484.1 secs Computing kpt #: 284 total cpu time spent up to now is 485.4 secs Computing kpt #: 285 total cpu time spent up to now is 486.7 secs Computing kpt #: 286 total cpu time spent up to now is 488.0 secs Computing kpt #: 287 total cpu time spent up to now is 489.3 secs Computing kpt #: 288 total cpu time spent up to now is 490.6 secs Computing kpt #: 289 total cpu time spent up to now is 491.9 secs Computing kpt #: 290 total cpu time spent up to now is 493.2 secs Computing kpt #: 291 total cpu time spent up to now is 494.4 secs Computing kpt #: 292 total cpu time spent up to now is 495.7 secs Computing kpt #: 293 total cpu time spent up to now is 497.0 secs Computing kpt #: 294 total cpu time spent up to now is 498.3 secs Computing kpt #: 295 total cpu time spent up to now is 499.6 secs Computing kpt #: 296 total cpu time spent up to now is 500.9 secs Computing kpt #: 297 total cpu time spent up to now is 502.2 secs Computing kpt #: 298 total cpu time spent up to now is 503.5 secs Computing kpt #: 299 total cpu time spent up to now is 504.8 secs Computing kpt #: 300 total cpu time spent up to now is 506.1 secs Computing kpt #: 301 total cpu time spent up to now is 507.6 secs Computing kpt #: 302 total cpu time spent up to now is 509.1 secs Computing kpt #: 303 total cpu time spent up to now is 510.5 secs Computing kpt #: 304 total cpu time spent up to now is 512.1 secs Computing kpt #: 305 total cpu time spent up to now is 513.8 secs Computing kpt #: 306 total cpu time spent up to now is 515.4 secs Computing kpt #: 307 total cpu time spent up to now is 516.9 secs Computing kpt #: 308 total cpu time spent up to now is 518.4 secs Computing kpt #: 309 total cpu time spent up to now is 520.0 secs Computing kpt #: 310 total cpu time spent up to now is 521.8 secs Computing kpt #: 311 total cpu time spent up to now is 523.5 secs Computing kpt #: 312 total cpu time spent up to now is 525.2 secs Computing kpt #: 313 total cpu time spent up to now is 526.9 secs Computing kpt #: 314 total cpu time spent up to now is 528.7 secs Computing kpt #: 315 total cpu time spent up to now is 530.5 secs Computing kpt #: 316 total cpu time spent up to now is 532.2 secs Computing kpt #: 317 total cpu time spent up to now is 533.9 secs Computing kpt #: 318 total cpu time spent up to now is 535.5 secs Computing kpt #: 319 total cpu time spent up to now is 537.3 secs Computing kpt #: 320 total cpu time spent up to now is 539.1 secs Computing kpt #: 321 total cpu time spent up to now is 541.0 secs Computing kpt #: 322 total cpu time spent up to now is 543.5 secs Computing kpt #: 323 total cpu time spent up to now is 545.4 secs Computing kpt #: 324 total cpu time spent up to now is 547.0 secs Computing kpt #: 325 total cpu time spent up to now is 548.5 secs Computing kpt #: 326 total cpu time spent up to now is 550.1 secs Computing kpt #: 327 total cpu time spent up to now is 551.6 secs Computing kpt #: 328 total cpu time spent up to now is 553.1 secs Computing kpt #: 329 total cpu time spent up to now is 554.6 secs Computing kpt #: 330 total cpu time spent up to now is 556.0 secs ethr = 3.13E-11, avg # of iterations = 42.1 total cpu time spent up to now is 556.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3043 PWs) bands (ev): -25.3112 -25.3112 -8.1602 -8.1602 -7.0626 -7.0626 -6.9862 -6.9862 -2.2108 -2.2108 2.5250 2.5250 2.6718 2.6718 4.5887 4.5887 4.8543 4.8543 5.8912 5.8912 6.2054 6.2054 6.6900 6.6900 6.9572 6.9572 7.9901 7.9901 8.2607 8.2607 10.0550 10.0550 10.5355 10.5355 10.7945 10.7945 11.3155 11.3155 14.0816 14.0816 k = 0.0000 0.0000 0.0189 ( 3043 PWs) bands (ev): -25.3112 -25.3112 -8.1605 -8.1600 -7.0630 -7.0623 -6.9863 -6.9863 -2.2094 -2.2091 2.5182 2.5263 2.6715 2.6718 4.5835 4.5924 4.8397 4.8679 5.8928 5.8935 6.1985 6.2121 6.6634 6.7143 6.9580 6.9604 7.9678 8.0169 8.2580 8.2681 10.0395 10.0475 10.5162 10.5178 10.8014 10.8097 11.3287 11.3292 14.0682 14.0758 k = 0.0000 0.0000 0.0377 ( 3057 PWs) bands (ev): -25.3112 -25.3112 -8.1609 -8.1600 -7.0634 -7.0620 -6.9867 -6.9867 -2.2049 -2.2043 2.5059 2.5219 2.6709 2.6715 4.5774 4.5944 4.8239 4.8804 5.8982 5.8997 6.1915 6.2183 6.6358 6.7350 6.9621 6.9685 7.9506 8.0476 8.2600 8.2799 10.0014 10.0189 10.4670 10.4694 10.8254 10.8410 11.3666 11.3681 14.0329 14.0483 k = 0.0000 0.0000 0.0566 ( 3053 PWs) bands (ev): -25.3112 -25.3112 -8.1613 -8.1600 -7.0639 -7.0618 -6.9874 -6.9873 -2.1972 -2.1963 2.4885 2.5120 2.6699 2.6710 4.5704 4.5942 4.8071 4.8923 5.9071 5.9096 6.1842 6.2238 6.6083 6.7512 6.9685 6.9819 7.9391 8.0818 8.2668 8.2959 9.9433 9.9727 10.3986 10.4010 10.8591 10.8799 11.4247 11.4275 13.9710 13.9949 k = 0.0000 0.0000 0.0755 ( 3067 PWs) bands (ev): -25.3111 -25.3111 -8.1619 -8.1601 -7.0645 -7.0616 -6.9883 -6.9882 -2.1865 -2.1853 2.4662 2.4966 2.6685 2.6701 4.5629 4.5918 4.7897 4.9036 5.9193 5.9228 6.1762 6.2281 6.5820 6.7627 6.9767 7.0002 7.9340 8.1193 8.2782 8.3159 9.8686 9.9127 10.3182 10.3197 10.8987 10.9219 11.4981 11.5022 13.8838 13.9159 k = 0.0000 0.0000 0.0944 ( 3067 PWs) bands (ev): -25.3111 -25.3111 -8.1625 -8.1603 -7.0651 -7.0615 -6.9894 -6.9893 -2.1728 -2.1712 2.4393 2.4760 2.6666 2.6688 4.5547 4.5870 4.7721 4.9146 5.9343 5.9390 6.1669 6.2308 6.5580 6.7702 6.9861 7.0225 7.9358 8.1596 8.2941 8.3396 9.7811 9.8424 10.2302 10.2302 10.9427 10.9653 11.5828 11.5881 13.7779 13.8175 k = 0.0000 0.0000 0.1132 ( 3067 PWs) bands (ev): -25.3110 -25.3110 -8.1633 -8.1606 -7.0658 -7.0615 -6.9908 -6.9907 -2.1559 -2.1541 2.4082 2.4504 2.6642 2.6672 4.5458 4.5799 4.7551 4.9256 5.9515 5.9577 6.1558 6.2315 6.5371 6.7744 6.9964 7.0470 7.9451 8.2024 8.3143 8.3670 9.6838 9.7643 10.1354 10.1375 10.9905 11.0096 11.6760 11.6821 13.6598 13.7064 k = 0.0000 0.0000 0.1321 ( 3065 PWs) bands (ev): -25.3109 -25.3109 -8.1641 -8.1610 -7.0665 -7.0615 -6.9925 -6.9922 -2.1361 -2.1339 2.3732 2.4202 2.6612 2.6650 4.5358 4.5706 4.7393 4.9367 5.9704 5.9783 6.1420 6.2299 6.5199 6.7764 7.0071 7.0723 7.9619 8.2471 8.3390 8.3979 9.5794 9.6807 10.0377 10.0421 11.0418 11.0553 11.7756 11.7823 13.5341 13.5876 k = 0.0000 0.0000 0.1510 ( 3065 PWs) bands (ev): -25.3108 -25.3108 -8.1650 -8.1615 -7.0672 -7.0616 -6.9943 -6.9940 -2.1133 -2.1107 2.3349 2.3858 2.6575 2.6624 4.5244 4.5596 4.7257 4.9479 5.9905 6.0002 6.1252 6.2259 6.5069 6.7769 7.0179 7.0971 7.9860 8.2912 8.3695 8.4322 9.4699 9.5935 9.9389 9.9456 11.0966 11.1029 11.8803 11.8871 13.4041 13.4645 k = 0.0000 0.0000 0.1699 ( 3063 PWs) bands (ev): -25.3107 -25.3107 -8.1659 -8.1621 -7.0680 -7.0618 -6.9963 -6.9959 -2.0875 -2.0846 2.2935 2.3476 2.6530 2.6590 4.5112 4.5471 4.7150 4.9593 6.0111 6.0227 6.1051 6.2193 6.4979 6.7764 7.0285 7.1204 8.0168 8.3305 8.4093 8.4698 9.3578 9.5044 9.8404 9.8493 11.1531 11.1550 11.9890 11.9956 13.2724 13.3394 k = 0.0000 0.0000 0.1887 ( 3058 PWs) bands (ev): -25.3106 -25.3106 -8.1670 -8.1628 -7.0689 -7.0619 -6.9986 -6.9980 -2.0588 -2.0555 2.2495 2.3061 2.6476 2.6550 4.4962 4.5335 4.7076 4.9709 6.0314 6.0451 6.0819 6.2104 6.4928 6.7753 7.0386 7.1417 8.0528 8.3612 8.4606 8.5106 9.2454 9.4150 9.7440 9.7539 11.2065 11.2172 12.1009 12.1069 13.1407 13.2142 k = 0.0000 0.0000 0.2076 ( 3054 PWs) bands (ev): -25.3105 -25.3105 -8.1681 -8.1635 -7.0697 -7.0622 -7.0010 -7.0003 -2.0272 -2.0236 2.2033 2.2617 2.6411 2.6500 4.4793 4.5192 4.7036 4.9828 6.0469 6.0603 6.0663 6.1995 6.4907 6.7738 7.0480 7.1606 8.0922 8.3835 8.5212 8.5535 9.1359 9.3274 9.6510 9.6604 11.2636 11.2833 12.2155 12.2200 13.0108 13.0903 k = 0.0000 0.0000 0.2265 ( 3062 PWs) bands (ev): -25.3104 -25.3104 -8.1692 -8.1643 -7.0706 -7.0625 -7.0035 -7.0028 -1.9928 -1.9888 2.1552 2.2148 2.6336 2.6442 4.4611 4.5045 4.7029 4.9950 6.0246 6.0730 6.0851 6.1876 6.4909 6.7720 7.0564 7.1772 8.1325 8.3985 8.5873 8.5955 9.0347 9.2436 9.5633 9.5697 11.3250 11.3534 12.3323 12.3336 12.8850 12.9687 k = 0.0000 0.0000 0.2454 ( 3062 PWs) bands (ev): -25.3102 -25.3102 -8.1704 -8.1652 -7.0715 -7.0628 -7.0062 -7.0053 -1.9556 -1.9512 2.1056 2.1659 2.6249 2.6372 4.4419 4.4898 4.7053 5.0075 5.9941 6.0907 6.0989 6.1766 6.4926 6.7701 7.0638 7.1916 8.1710 8.4059 8.6264 8.6546 8.9536 9.1660 9.4834 9.4839 11.3907 11.4275 12.4433 12.4509 12.7683 12.8505 k = 0.0000 0.0000 0.2642 ( 3062 PWs) bands (ev): -25.3101 -25.3101 -8.1717 -8.1662 -7.0725 -7.0632 -7.0091 -7.0080 -1.9157 -1.9109 2.0549 2.1154 2.6148 2.6291 4.4223 4.4753 4.7102 5.0204 5.9616 6.1033 6.1070 6.1706 6.4950 6.7681 7.0698 7.2040 8.2046 8.4047 8.6242 8.7172 8.9153 9.0972 9.4040 9.4180 11.4611 11.5055 12.5210 12.5708 12.6893 12.7369 k = 0.0000 0.0000 0.2831 ( 3058 PWs) bands (ev): -25.3099 -25.3099 -8.1730 -8.1672 -7.0734 -7.0636 -7.0120 -7.0107 -1.8731 -1.8680 2.0033 2.0636 2.6034 2.6196 4.4028 4.4612 4.7174 5.0336 5.9278 6.0954 6.1216 6.1720 6.4973 6.7661 7.0745 7.2146 8.2296 8.3940 8.5789 8.7657 8.9272 9.0390 9.3378 9.3746 11.5358 11.5869 12.4778 12.6259 12.6945 12.7381 k = 0.0000 0.0000 0.3020 ( 3050 PWs) bands (ev): -25.3097 -25.3097 -8.1743 -8.1683 -7.0744 -7.0641 -7.0150 -7.0135 -1.8280 -1.8224 1.9511 2.0109 2.5904 2.6087 4.3836 4.4476 4.7265 5.0471 5.8929 6.0786 6.1341 6.1770 6.4990 6.7641 7.0777 7.2237 8.2407 8.3735 8.5163 8.7891 8.9540 8.9901 9.2999 9.3669 11.6146 11.6710 12.3817 12.5243 12.8161 12.8476 k = 0.0000 0.0000 0.3209 ( 3054 PWs) bands (ev): -25.3096 -25.3096 -8.1756 -8.1694 -7.0753 -7.0646 -7.0181 -7.0164 -1.7802 -1.7742 1.8987 1.9576 2.5758 2.5962 4.3650 4.4345 4.7372 5.0611 5.8573 6.0569 6.1444 6.1811 6.4995 6.7622 7.0795 7.2315 8.2296 8.3440 8.4631 8.7837 8.9458 8.9544 9.3133 9.4029 11.6967 11.7560 12.2850 12.4290 12.9395 12.9673 k = 0.0000 0.0000 0.3397 ( 3050 PWs) bands (ev): -25.3094 -25.3094 -8.1770 -8.1706 -7.0763 -7.0651 -7.0212 -7.0193 -1.7300 -1.7236 1.8461 1.9039 2.5595 2.5821 4.3472 4.4220 4.7492 5.0755 5.8210 6.0325 6.1525 6.1820 6.4985 6.7603 7.0797 7.2383 8.1910 8.3075 8.4324 8.7551 8.9038 8.9172 9.3814 9.4772 11.7803 11.8375 12.1993 12.3426 13.0636 13.0904 k = 0.0000 0.0000 0.3586 ( 3050 PWs) bands (ev): -25.3092 -25.3092 -8.1784 -8.1718 -7.0772 -7.0656 -7.0244 -7.0223 -1.6773 -1.6705 1.7937 1.8503 2.5415 2.5662 4.3303 4.4100 4.7623 5.0904 5.7842 6.0063 6.1583 6.1785 6.4956 6.7585 7.0785 7.2440 8.1328 8.2668 8.4195 8.7095 8.8592 8.8673 9.4843 9.5784 11.8620 11.9000 12.1414 12.2689 13.1883 13.2150 k = 0.0000 0.0000 0.3775 ( 3054 PWs) bands (ev): -25.3090 -25.3090 -8.1798 -8.1730 -7.0782 -7.0662 -7.0276 -7.0252 -1.6222 -1.6150 1.7417 1.7968 2.5216 2.5484 4.3144 4.3983 4.7763 5.1056 5.7469 5.9789 6.1620 6.1700 6.4909 6.7568 7.0757 7.2490 8.0675 8.2245 8.4135 8.6515 8.7936 8.8377 9.6070 9.6976 11.9075 11.9320 12.1479 12.2173 13.3132 13.3405 k = 0.0000 0.0000 0.3964 ( 3050 PWs) bands (ev): -25.3088 -25.3088 -8.1812 -8.1743 -7.0791 -7.0668 -7.0308 -7.0282 -1.5649 -1.5573 1.6902 1.7438 2.4999 2.5286 4.2993 4.3869 4.7911 5.1211 5.7092 5.9506 6.1565 6.1636 6.4843 6.7552 7.0715 7.2532 8.0024 8.1828 8.4073 8.5861 8.7269 8.8129 9.7427 9.8294 11.8638 11.9676 12.2100 12.2147 13.4381 13.4666 k = 0.0000 0.0000 0.4152 ( 3054 PWs) bands (ev): -25.3086 -25.3086 -8.1825 -8.1755 -7.0800 -7.0675 -7.0339 -7.0311 -1.5053 -1.4973 1.6394 1.6914 2.4761 2.5067 4.2849 4.3756 4.8063 5.1371 5.6711 5.9217 6.1379 6.1634 6.4761 6.7537 7.0658 7.2569 7.9406 8.1433 8.3974 8.5169 8.6626 8.7905 9.8878 9.9709 11.8074 11.9566 12.2586 12.3030 13.5628 13.5927 k = 0.0000 0.0000 0.4341 ( 3050 PWs) bands (ev): -25.3084 -25.3084 -8.1839 -8.1768 -7.0809 -7.0681 -7.0371 -7.0341 -1.4435 -1.4351 1.5895 1.6397 2.4503 2.4827 4.2711 4.3641 4.8218 5.1532 5.6328 5.8925 6.1149 6.1616 6.4667 6.7524 7.0586 7.2600 7.8833 8.1070 8.3809 8.4464 8.6036 8.7686 10.0404 10.1202 11.7532 11.9242 12.3368 12.3971 13.6870 13.7187 k = 0.0000 0.0000 0.4530 ( 3054 PWs) bands (ev): -25.3082 -25.3082 -8.1853 -8.1781 -7.0817 -7.0688 -7.0402 -7.0369 -1.3796 -1.3709 1.5406 1.5891 2.4224 2.4563 4.2577 4.3522 4.8375 5.1696 5.5942 5.8631 6.0882 6.1586 6.4564 6.7512 7.0501 7.2627 7.8306 8.0744 8.3556 8.3757 8.5528 8.7460 10.1993 10.2761 11.7056 11.8897 12.4238 12.4913 13.8104 13.8441 k = 0.0000 0.0000 0.4718 ( 3052 PWs) bands (ev): -25.3080 -25.3080 -8.1866 -8.1794 -7.0825 -7.0694 -7.0432 -7.0398 -1.3136 -1.3046 1.4928 1.5395 2.3923 2.4276 4.2445 4.3397 4.8530 5.1861 5.5556 5.8339 6.0586 6.1547 6.4458 6.7500 7.0401 7.2650 7.7821 8.0456 8.3057 8.3202 8.5115 8.7220 10.3635 10.4375 11.6664 11.8599 12.5111 12.5823 13.9325 13.9687 k = 0.0000 0.0000 0.4907 ( 3048 PWs) bands (ev): -25.3078 -25.3078 -8.1879 -8.1808 -7.0833 -7.0701 -7.0462 -7.0426 -1.2457 -1.2364 1.4463 1.4911 2.3600 2.3965 4.2312 4.3262 4.8683 5.2025 5.5171 5.8051 6.0273 6.1503 6.4353 6.7490 7.0288 7.2669 7.7371 8.0205 8.2370 8.2762 8.4789 8.6962 10.5324 10.6040 11.6364 11.8374 12.5938 12.6673 14.0523 14.0915 k = 0.0000 0.0000 0.5096 ( 3048 PWs) bands (ev): -25.3076 -25.3076 -8.1891 -8.1820 -7.0840 -7.0708 -7.0491 -7.0453 -1.1759 -1.1663 1.4011 1.4441 2.3254 2.3628 4.2177 4.3118 4.8829 5.2186 5.4792 5.7769 5.9953 6.1459 6.4254 6.7481 7.0162 7.2685 7.6949 7.9987 8.1701 8.2271 8.4519 8.6682 10.7053 10.7748 11.6163 11.8233 12.6679 12.7432 14.1655 14.2042 k = 0.0000 0.0000 0.5285 ( 3048 PWs) bands (ev): -25.3074 -25.3074 -8.1903 -8.1833 -7.0847 -7.0715 -7.0519 -7.0480 -1.1042 -1.0945 1.3573 1.3984 2.2883 2.3264 4.2037 4.2961 4.8966 5.2339 5.4424 5.7498 5.9638 6.1420 6.4165 6.7472 7.0022 7.2696 7.6547 7.9798 8.1053 8.1758 8.4279 8.6379 10.8816 10.9494 11.6061 11.8181 12.7302 12.8071 14.2203 14.2286 k = 0.0000 0.0000 0.5473 ( 3052 PWs) bands (ev): -25.3072 -25.3072 -8.1915 -8.1846 -7.0853 -7.0723 -7.0546 -7.0505 -1.0308 -1.0209 1.3151 1.3544 2.2488 2.2874 4.1890 4.2791 4.9092 5.2474 5.4078 5.7241 5.9338 6.1388 6.4091 6.7464 6.9870 7.2701 7.6158 7.9630 8.0433 8.1247 8.4051 8.6053 11.0606 11.1274 11.6063 11.8219 12.7775 12.8562 14.2280 14.2347 k = 0.0000 0.0000 0.5662 ( 3048 PWs) bands (ev): -25.3070 -25.3070 -8.1926 -8.1859 -7.0859 -7.0730 -7.0572 -7.0530 -0.9557 -0.9457 1.2745 1.3119 2.2068 2.2455 4.1736 4.2607 4.9203 5.2571 5.3777 5.7003 5.9061 6.1368 6.4033 6.7456 6.9704 7.2699 7.5779 7.9457 7.9864 8.0748 8.3825 8.5705 11.2415 11.3082 11.6170 11.8349 12.8079 12.8883 14.2368 14.2423 k = 0.0000 0.0000 0.5851 ( 3038 PWs) bands (ev): -25.3068 -25.3068 -8.1937 -8.1871 -7.0864 -7.0737 -7.0596 -7.0554 -0.8791 -0.8690 1.2355 1.2711 2.1621 2.2007 4.1574 4.2410 4.9298 5.2581 5.3570 5.6787 5.8814 6.1360 6.3995 6.7448 6.9525 7.2687 7.5408 7.9132 7.9494 8.0271 8.3598 8.5334 11.4224 11.4912 11.6395 11.8568 12.8206 12.9024 14.2506 14.2543 k = 0.0000 0.0000 0.6040 ( 3042 PWs) bands (ev): -25.3067 -25.3067 -8.1947 -8.1883 -7.0869 -7.0745 -7.0620 -7.0577 -0.8009 -0.7908 1.1983 1.2320 2.1148 2.1530 4.1403 4.2201 4.9373 5.2455 5.3508 5.6598 5.8600 6.1366 6.3980 6.7441 6.9333 7.2660 7.5046 7.8629 7.9345 7.9818 8.3367 8.4944 11.5912 11.6755 11.6851 11.8877 12.8166 12.8990 14.2686 14.2707 k = 0.0000 0.0000 0.6228 ( 3046 PWs) bands (ev): -25.3065 -25.3065 -8.1957 -8.1894 -7.0873 -7.0752 -7.0641 -7.0599 -0.7213 -0.7112 1.1629 1.1947 2.0647 2.1024 4.1224 4.1981 4.9426 5.2221 5.3564 5.6438 5.8425 6.1386 6.3990 6.7433 6.9129 7.2611 7.4702 7.8120 7.9246 7.9391 8.3133 8.4536 11.6821 11.8186 11.8570 11.9308 12.7983 12.8802 14.2880 14.2901 k = 0.0000 0.0000 0.6417 ( 3042 PWs) bands (ev): -25.3063 -25.3063 -8.1966 -8.1906 -7.0877 -7.0760 -7.0662 -7.0620 -0.6403 -0.6305 1.1292 1.1593 2.0120 2.0487 4.1040 4.1754 4.9458 5.1941 5.3676 5.6309 5.8289 6.1419 6.4026 6.7425 6.8914 7.2527 7.4386 7.7635 7.8992 7.9166 8.2895 8.4111 11.7351 11.9626 11.9988 12.0578 12.7691 12.8489 14.3058 14.3103 k = 0.0000 0.0000 0.6606 ( 3038 PWs) bands (ev): -25.3061 -25.3061 -8.1974 -8.1917 -7.0880 -7.0768 -7.0680 -7.0640 -0.5582 -0.5485 1.0975 1.1258 1.9565 1.9921 4.0851 4.1521 4.9467 5.1651 5.3811 5.6210 5.8194 6.1463 6.4089 6.7416 6.8687 7.2395 7.4115 7.7180 7.8622 7.9097 8.2655 8.3674 11.7906 12.0172 12.1841 12.2421 12.7325 12.8083 14.3193 14.3290 k = 0.0000 0.0000 0.6795 ( 3036 PWs) bands (ev): -25.3060 -25.3060 -8.1982 -8.1927 -7.0883 -7.0777 -7.0697 -7.0659 -0.4749 -0.4656 1.0677 1.0942 1.8983 1.9325 4.0661 4.1286 4.9457 5.1363 5.3953 5.6138 5.8142 6.1517 6.4180 6.7405 6.8452 7.2201 7.3904 7.6758 7.8280 7.9039 8.2413 8.3226 11.8517 12.0742 12.3696 12.4283 12.6924 12.7617 14.3267 14.3444 k = 0.0000 0.0000 0.6983 ( 3036 PWs) bands (ev): -25.3058 -25.3058 -8.1989 -8.1937 -7.0885 -7.0786 -7.0712 -7.0676 -0.3906 -0.3817 1.0398 1.0646 1.8375 1.8700 4.0473 4.1052 4.9428 5.1085 5.4097 5.6089 5.8133 6.1577 6.4297 6.7394 6.8211 7.1943 7.3756 7.6368 7.7969 7.8988 8.2170 8.2771 11.9180 12.1332 12.5536 12.6129 12.6534 12.7125 14.3267 14.3550 k = 0.0000 0.0000 0.7172 ( 3028 PWs) bands (ev): -25.3057 -25.3057 -8.1995 -8.1947 -7.0887 -7.0795 -7.0726 -7.0693 -0.3055 -0.2971 1.0139 1.0370 1.7741 1.8048 4.0288 4.0823 4.9385 5.0821 5.4240 5.6057 5.8166 6.1641 6.4439 6.7379 6.7968 7.1634 7.3663 7.6012 7.7689 7.8945 8.1928 8.2313 11.9883 12.1908 12.6187 12.6622 12.7365 12.7968 14.3192 14.3598 k = 0.0000 0.0000 0.7361 ( 3036 PWs) bands (ev): -25.3056 -25.3056 -8.2001 -8.1956 -7.0888 -7.0804 -7.0737 -7.0708 -0.2196 -0.2118 0.9900 1.0115 1.7083 1.7369 4.0110 4.0600 4.9331 5.0571 5.4380 5.6036 5.8241 6.1705 6.4602 6.7362 6.7728 7.1289 7.3609 7.5689 7.7444 7.8909 8.1687 8.1855 12.0601 12.2401 12.5987 12.6176 12.9140 12.9761 14.3046 14.3580 k = 0.0000 0.0000 0.7550 ( 3042 PWs) bands (ev): -25.3055 -25.3055 -8.2006 -8.1964 -7.0889 -7.0814 -7.0747 -7.0722 -0.1332 -0.1262 0.9681 0.9879 1.6403 1.6667 3.9943 4.0388 4.9271 5.0337 5.4515 5.6020 5.8356 6.1764 6.4783 6.7341 6.7499 7.0924 7.3581 7.5398 7.7234 7.8880 8.1402 8.1448 12.1294 12.2712 12.5812 12.6025 13.0870 13.1507 14.2834 14.3494 k = 0.0000 0.0000 0.7738 ( 3030 PWs) bands (ev): -25.3053 -25.3053 -8.2010 -8.1972 -7.0890 -7.0823 -7.0756 -7.0734 -0.0465 -0.0403 0.9482 0.9665 1.5703 1.5944 3.9787 4.0187 4.9208 5.0121 5.4645 5.6006 5.8509 6.1813 6.4978 6.7288 6.7314 7.0549 7.3572 7.5137 7.7062 7.8856 8.0957 8.1213 12.1886 12.2781 12.5613 12.6364 13.2535 13.3189 14.2560 14.3339 k = 0.0000 0.0000 0.7927 ( 3030 PWs) bands (ev): -25.3052 -25.3052 -8.2014 -8.1980 -7.0890 -7.0832 -7.0763 -7.0745 0.0402 0.0455 0.9303 0.9471 1.4987 1.5203 3.9645 4.0001 4.9145 4.9922 5.4770 5.5988 5.8694 6.1843 6.5179 6.7107 6.7280 7.0171 7.3575 7.4905 7.6931 7.8836 8.0529 8.0983 12.2269 12.2661 12.5690 12.6946 13.4121 13.4789 14.2229 14.3116 k = 0.0000 0.0000 0.8116 ( 3026 PWs) bands (ev): -25.3052 -25.3052 -8.2017 -8.1987 -7.0890 -7.0840 -7.0769 -7.0755 0.1267 0.1308 0.9144 0.9298 1.4258 1.4449 3.9519 3.9831 4.9087 4.9741 5.4890 5.5965 5.8909 6.1847 6.5382 6.6966 6.7238 6.9796 7.3586 7.4700 7.6842 7.8813 8.0126 8.0760 12.2383 12.2447 12.6098 12.7668 13.5612 13.6290 14.1848 14.2825 k = 0.0000 0.0000 0.8305 ( 3020 PWs) bands (ev): -25.3051 -25.3051 -8.2019 -8.1993 -7.0890 -7.0848 -7.0774 -7.0764 0.2123 0.2152 0.9005 0.9144 1.3524 1.3688 3.9411 3.9679 4.9036 4.9578 5.5006 5.5936 5.9147 6.1816 6.5581 6.6879 6.7184 6.9429 7.3604 7.4519 7.6798 7.8773 7.9768 8.0545 12.2208 12.2298 12.6759 12.8446 13.6991 13.7670 14.1428 14.2467 k = 0.0000 0.0000 0.8493 ( 3024 PWs) bands (ev): -25.3050 -25.3050 -8.2021 -8.1999 -7.0889 -7.0855 -7.0779 -7.0771 0.2963 0.2979 0.8884 0.9010 1.2794 1.2929 3.9321 3.9544 4.8994 4.9434 5.5116 5.5898 5.9405 6.1746 6.5767 6.6855 6.7118 6.9073 7.3628 7.4361 7.6799 7.8682 7.9494 8.0340 12.1979 12.2123 12.7553 12.9220 13.8244 13.8904 14.0997 14.2048 k = 0.0000 0.0000 0.8682 ( 3020 PWs) bands (ev): -25.3050 -25.3050 -8.2021 -8.2004 -7.0888 -7.0861 -7.0782 -7.0776 0.3774 0.3776 0.8779 0.8894 1.2082 1.2188 3.9251 3.9430 4.8965 4.9309 5.5221 5.5852 5.9677 6.1631 6.5940 6.6898 6.7037 6.8732 7.3657 7.4224 7.6845 7.8500 7.9348 8.0147 12.1780 12.1927 12.8392 12.9936 13.9358 13.9905 14.0658 14.1583 k = 0.0000 0.0000 0.8871 ( 3020 PWs) bands (ev): -25.3049 -25.3049 -8.2022 -8.2008 -7.0886 -7.0867 -7.0785 -7.0781 0.4523 0.4533 0.8688 0.8791 1.1414 1.1490 3.9201 3.9335 4.8949 4.9202 5.5321 5.5798 5.9958 6.1474 6.6101 6.6940 6.7003 6.8410 7.3692 7.4106 7.6936 7.8245 7.9316 7.9967 12.1623 12.1747 12.9212 13.0531 14.0031 14.0304 14.1081 14.1115 k = 0.0000 0.0000 0.9060 ( 3016 PWs) bands (ev): -25.3049 -25.3049 -8.2021 -8.2012 -7.0885 -7.0872 -7.0787 -7.0784 0.5179 0.5198 0.8610 0.8696 1.0837 1.0883 3.9171 3.9260 4.8948 4.9115 5.5416 5.5736 6.0241 6.1277 6.6255 6.6826 6.7159 6.8108 7.3734 7.4005 7.7071 7.7968 7.9352 7.9803 12.1514 12.1602 12.9955 13.0937 13.9808 14.0526 14.1227 14.1773 k = 0.0000 0.0000 0.9248 ( 3016 PWs) bands (ev): -25.3049 -25.3049 -8.2020 -8.2015 -7.0882 -7.0876 -7.0788 -7.0786 0.5665 0.5682 0.8551 0.8605 1.0428 1.0447 3.9162 3.9206 4.8963 4.9046 5.5506 5.5666 6.0522 6.1047 6.6407 6.6696 6.7353 6.7831 7.3785 7.3919 7.7245 7.7701 7.9427 7.9657 12.1457 12.1502 13.0559 13.1089 13.9725 14.0133 14.1840 14.2217 k = 0.0000 0.0000 0.9437 ( 3020 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0879 -7.0879 -7.0788 -7.0788 0.5860 0.5860 0.8544 0.8544 1.0281 1.0281 3.9174 3.9174 4.8996 4.8996 5.5589 5.5589 6.0793 6.0793 6.6555 6.6555 6.7578 6.7578 7.3846 7.3846 7.7457 7.7457 7.9531 7.9531 12.1453 12.1453 13.0957 13.0957 13.9840 13.9840 14.2231 14.2231 k = 0.0000 0.0000 0.9437 ( 3020 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0879 -7.0879 -7.0788 -7.0788 0.5860 0.5860 0.8544 0.8544 1.0281 1.0281 3.9174 3.9174 4.8996 4.8996 5.5589 5.5589 6.0793 6.0793 6.6555 6.6555 6.7578 6.7578 7.3846 7.3846 7.7457 7.7457 7.9531 7.9531 12.1453 12.1453 13.0957 13.0957 13.9840 13.9840 14.2231 14.2231 k =-0.0098 0.0156 0.9437 ( 3018 PWs) bands (ev): -25.3049 -25.3049 -8.2020 -8.2015 -7.0880 -7.0877 -7.0792 -7.0783 0.5715 0.5782 0.8618 0.8643 1.0289 1.0299 3.9154 3.9276 4.8905 4.9089 5.5489 5.5679 6.0709 6.0849 6.6364 6.6661 6.7310 6.7884 7.3541 7.4158 7.7321 7.7614 7.9313 7.9882 12.1418 12.1463 13.0919 13.0942 13.9848 13.9880 14.2186 14.2246 k =-0.0195 0.0312 0.9437 ( 3014 PWs) bands (ev): -25.3049 -25.3049 -8.2021 -8.2013 -7.0880 -7.0875 -7.0797 -7.0779 0.5388 0.5505 0.8838 0.8872 1.0323 1.0342 3.9216 3.9460 4.8816 4.9183 5.5378 5.5757 6.0596 6.0875 6.6140 6.6530 6.7237 6.8171 7.3254 7.4459 7.7211 7.7803 7.9249 8.0339 12.1358 12.1448 13.0827 13.0874 13.9897 13.9968 14.2110 14.2222 k =-0.0293 0.0469 0.9437 ( 3022 PWs) bands (ev): -25.3049 -25.3049 -8.2023 -8.2010 -7.0879 -7.0871 -7.0801 -7.0774 0.4942 0.5095 0.9140 0.9166 1.0387 1.0412 3.9356 3.9723 4.8731 4.9280 5.5257 5.5824 6.0453 6.0872 6.5895 6.6191 6.7343 6.8428 7.2990 7.4720 7.7155 7.8035 7.9337 8.0879 12.1274 12.1409 13.0680 13.0749 13.9968 14.0094 14.1981 14.2135 k =-0.0390 0.0625 0.9437 ( 3026 PWs) bands (ev): -25.3049 -25.3049 -8.2023 -8.2006 -7.0877 -7.0868 -7.0805 -7.0770 0.4423 0.4601 0.9471 0.9477 1.0485 1.0514 3.9571 4.0064 4.8649 4.9377 5.5127 5.5878 6.0281 6.0836 6.5635 6.5791 6.7495 6.8652 7.2752 7.4908 7.7199 7.8315 7.9562 8.1482 12.1166 12.1345 13.0473 13.0561 14.0023 14.0218 14.1651 14.1835 k =-0.0488 0.0781 0.9437 ( 3022 PWs) bands (ev): -25.3050 -25.3050 -8.2024 -8.2002 -7.0874 -7.0865 -7.0808 -7.0767 0.3856 0.4052 0.9774 0.9799 1.0627 1.0654 3.9854 4.0475 4.8570 4.9474 5.4990 5.5920 6.0080 6.0764 6.5364 6.5384 6.7656 6.8846 7.2541 7.5006 7.7377 7.8647 7.9905 8.2136 12.1037 12.1259 13.0198 13.0303 13.9969 14.0144 14.0920 14.1214 k =-0.0585 0.0937 0.9437 ( 3020 PWs) bands (ev): -25.3051 -25.3051 -8.2024 -8.1998 -7.0871 -7.0863 -7.0808 -7.0763 0.3253 0.3464 1.0039 1.0100 1.0822 1.0842 4.0198 4.0951 4.8494 4.9570 5.4847 5.5949 5.9854 6.0650 6.4994 6.5084 6.7822 6.9013 7.2357 7.5034 7.7681 7.9029 8.0348 8.2831 12.0887 12.1152 12.9844 12.9963 13.9446 13.9514 14.0227 14.0912 k =-0.0683 0.1093 0.9437 ( 3020 PWs) bands (ev): -25.3051 -25.3051 -8.2023 -8.1993 -7.0866 -7.0864 -7.0805 -7.0759 0.2625 0.2847 1.0267 1.0363 1.1067 1.1082 4.0595 4.1484 4.8423 4.9665 5.4698 5.5965 5.9605 6.0488 6.4644 6.4800 6.7991 6.9156 7.2200 7.5032 7.8083 7.9460 8.0875 8.3561 12.0718 12.1025 12.9396 12.9525 13.8391 13.8531 13.9806 14.0594 k =-0.0781 0.1249 0.9437 ( 3018 PWs) bands (ev): -25.3052 -25.3052 -8.2022 -8.1988 -7.0867 -7.0862 -7.0798 -7.0754 0.1979 0.2209 1.0469 1.0594 1.1349 1.1366 4.1036 4.2067 4.8356 4.9756 5.4546 5.5967 5.9339 6.0271 6.4348 6.4515 6.8166 6.9277 7.2072 7.5036 7.8555 7.9936 8.1473 8.4321 12.0533 12.0880 12.8834 12.8968 13.7264 13.7427 13.9328 14.0062 k =-0.0878 0.1406 0.9437 ( 3026 PWs) bands (ev): -25.3053 -25.3053 -8.2021 -8.1983 -7.0872 -7.0857 -7.0789 -7.0749 0.1318 0.1554 1.0661 1.0809 1.1651 1.1676 4.1513 4.2689 4.8293 4.9843 5.4393 5.5954 5.9060 6.0000 6.4118 6.4233 6.8348 6.9380 7.1975 7.5071 7.9079 8.0456 8.2131 8.5106 12.0333 12.0718 12.8138 12.8267 13.6159 13.6335 13.8737 13.9381 k =-0.0976 0.1562 0.9437 ( 3026 PWs) bands (ev): -25.3054 -25.3054 -8.2019 -8.1978 -7.0879 -7.0853 -7.0777 -7.0742 0.0647 0.0888 1.0854 1.1021 1.1960 1.1995 4.2014 4.3340 4.8234 4.9923 5.4240 5.5927 5.8777 5.9680 6.3955 6.3957 6.8535 6.9464 7.1915 7.5154 7.9645 8.1017 8.2840 8.5913 12.0119 12.0542 12.7287 12.7402 13.5128 13.5311 13.8050 13.8603 k =-0.0976 0.1562 0.9437 ( 3026 PWs) bands (ev): -25.3054 -25.3054 -8.2019 -8.1978 -7.0879 -7.0853 -7.0777 -7.0742 0.0647 0.0888 1.0854 1.1021 1.1960 1.1995 4.2014 4.3340 4.8234 4.9923 5.4240 5.5927 5.8777 5.9680 6.3955 6.3957 6.8535 6.9464 7.1915 7.5154 7.9645 8.1017 8.2840 8.5913 12.0119 12.0542 12.7287 12.7402 13.5128 13.5311 13.8050 13.8603 k =-0.1045 0.1673 0.9306 ( 3026 PWs) bands (ev): -25.3055 -25.3055 -8.2017 -8.1974 -7.0885 -7.0851 -7.0767 -7.0735 0.0161 0.0403 1.0787 1.0933 1.2432 1.2440 4.2383 4.3818 4.8200 4.9980 5.4131 5.5892 5.8566 5.9433 6.3670 6.3992 6.8667 6.9520 7.1902 7.5239 8.0060 8.1466 8.3372 8.6502 11.9974 12.0423 12.6494 12.6662 13.4399 13.4623 13.7538 13.8048 k =-0.1114 0.1784 0.9175 ( 3027 PWs) bands (ev): -25.3056 -25.3056 -8.2015 -8.1969 -7.0894 -7.0851 -7.0757 -7.0721 -0.0332 -0.0091 1.0512 1.0637 1.3108 1.3128 4.2763 4.4308 4.8177 5.0043 5.4021 5.5836 5.8340 5.9187 6.3390 6.4091 6.8789 6.9580 7.1920 7.5337 8.0479 8.1984 8.3927 8.7103 11.9851 12.0323 12.5504 12.5742 13.3665 13.3943 13.7039 13.7539 k =-0.1184 0.1895 0.9044 ( 3029 PWs) bands (ev): -25.3057 -25.3056 -8.2012 -8.1964 -7.0904 -7.0853 -7.0745 -7.0704 -0.0826 -0.0587 1.0180 1.0294 1.3842 1.3880 4.3150 4.4805 4.8165 5.0111 5.3911 5.5756 5.8103 5.8957 6.3115 6.4243 6.8893 6.9652 7.1970 7.5447 8.0910 8.2561 8.4501 8.7712 11.9749 12.0242 12.4358 12.4635 13.2970 13.3276 13.6557 13.7064 k =-0.1253 0.2006 0.8913 ( 3027 PWs) bands (ev): -25.3058 -25.3058 -8.2009 -8.1959 -7.0915 -7.0859 -7.0730 -7.0683 -0.1315 -0.1080 0.9827 0.9937 1.4601 1.4653 4.3540 4.5304 4.8163 5.0183 5.3802 5.5653 5.7855 5.8762 6.2847 6.4438 6.8974 6.9739 7.2057 7.5566 8.1362 8.3186 8.5090 8.8325 11.9664 12.0175 12.3085 12.3372 13.2324 13.2639 13.6092 13.6616 k =-0.1323 0.2117 0.8782 ( 3029 PWs) bands (ev): -25.3059 -25.3059 -8.2006 -8.1954 -7.0927 -7.0867 -7.0712 -7.0660 -0.1796 -0.1565 0.9466 0.9574 1.5369 1.5433 4.3932 4.5799 4.8173 5.0258 5.3696 5.5534 5.7595 5.8615 6.2587 6.4666 6.9031 6.9843 7.2183 7.5692 8.1839 8.3852 8.5689 8.8937 11.9571 12.0099 12.1719 12.2021 13.1727 13.2039 13.5644 13.6189 k =-0.1392 0.2228 0.8651 ( 3031 PWs) bands (ev): -25.3060 -25.3060 -8.2003 -8.1949 -7.0939 -7.0876 -7.0692 -7.0635 -0.2266 -0.2040 0.9104 0.9210 1.6135 1.6212 4.4323 4.6285 4.8191 5.0333 5.3593 5.5408 5.7326 5.8518 6.2336 6.4917 6.9068 6.9961 7.2350 7.5825 8.2348 8.4553 8.6295 8.9544 11.9290 11.9908 12.0320 12.0864 13.1170 13.1482 13.5213 13.5781 k =-0.1461 0.2339 0.8520 ( 3029 PWs) bands (ev): -25.3061 -25.3061 -8.1999 -8.1944 -7.0953 -7.0887 -7.0670 -7.0609 -0.2723 -0.2502 0.8743 0.8849 1.6895 1.6985 4.4711 4.6757 4.8218 5.0409 5.3496 5.5285 5.7056 5.8468 6.2094 6.5181 6.9092 7.0089 7.2558 7.5962 8.2888 8.5285 8.6904 9.0140 11.8242 11.8683 11.9863 12.0476 13.0650 13.0970 13.4798 13.5390 k =-0.1531 0.2450 0.8389 ( 3029 PWs) bands (ev): -25.3062 -25.3062 -8.1995 -8.1939 -7.0966 -7.0898 -7.0647 -7.0582 -0.3165 -0.2951 0.8387 0.8493 1.7644 1.7747 4.5095 4.7206 4.8253 5.0485 5.3407 5.5177 5.6793 5.8456 6.1862 6.5448 6.9112 7.0225 7.2808 7.6105 8.3461 8.6043 8.7512 9.0721 11.6736 11.7059 11.9859 12.0441 13.0160 13.0504 13.4397 13.5018 k =-0.1600 0.2561 0.8258 ( 3033 PWs) bands (ev): -25.3064 -25.3063 -8.1990 -8.1934 -7.0980 -7.0911 -7.0622 -7.0554 -0.3592 -0.3383 0.8038 0.8143 1.8375 1.8493 4.5474 4.7622 4.8296 5.0561 5.3333 5.5094 5.6543 5.8475 6.1641 6.5707 6.9138 7.0367 7.3095 7.6251 8.4068 8.6825 8.8115 9.1279 11.5119 11.5385 11.9925 12.0488 12.9697 13.0084 13.4011 13.4664 k =-0.1670 0.2672 0.8127 ( 3031 PWs) bands (ev): -25.3065 -25.3065 -8.1986 -8.1929 -7.0994 -7.0923 -7.0595 -7.0526 -0.4002 -0.3799 0.7698 0.7801 1.9086 1.9219 4.5846 4.7982 4.8360 5.0642 5.3281 5.5041 5.6312 5.8520 6.1430 6.5949 6.9179 7.0516 7.3418 7.6400 8.4707 8.7628 8.8708 9.1807 11.3464 11.3692 12.0031 12.0570 12.9258 12.9710 13.3639 13.4329 k =-0.1739 0.2784 0.7996 ( 3031 PWs) bands (ev): -25.3066 -25.3066 -8.1981 -8.1924 -7.1008 -7.0936 -7.0568 -7.0498 -0.4394 -0.4197 0.7368 0.7469 1.9772 1.9921 4.6207 4.8214 4.8500 5.0737 5.3259 5.5021 5.6104 5.8585 6.1231 6.6161 6.9247 7.0675 7.3769 7.6552 8.5377 8.8443 8.9290 9.2298 11.1799 11.2002 12.0168 12.0672 12.8841 12.9385 13.3281 13.4014 k =-0.1808 0.2895 0.7866 ( 3031 PWs) bands (ev): -25.3067 -25.3067 -8.1976 -8.1919 -7.1022 -7.0949 -7.0540 -7.0470 -0.4768 -0.4577 0.7049 0.7149 2.0430 2.0596 4.6554 4.8304 4.8717 5.0858 5.3276 5.5031 5.5924 5.8667 6.1044 6.6333 6.9352 7.0845 7.4145 7.6706 8.6077 8.9259 8.9866 9.2740 11.0147 11.0334 12.0329 12.0784 12.8441 12.9109 13.2935 13.3718 k =-0.1878 0.3006 0.7735 ( 3038 PWs) bands (ev): -25.3069 -25.3069 -8.1971 -8.1915 -7.1036 -7.0963 -7.0512 -7.0442 -0.5122 -0.4937 0.6743 0.6841 2.1057 2.1241 4.6877 4.8352 4.8900 5.1019 5.3337 5.5066 5.5778 5.8763 6.0871 6.6456 6.9501 7.1029 7.4539 7.6861 8.6801 9.0029 9.0468 9.3119 10.8527 10.8711 12.0502 12.0892 12.8056 12.8887 13.2601 13.3443 k =-0.1947 0.3117 0.7604 ( 3034 PWs) bands (ev): -25.3070 -25.3070 -8.1966 -8.1911 -7.1050 -7.0976 -7.0484 -7.0415 -0.5457 -0.5278 0.6450 0.6546 2.1649 2.1852 4.7163 4.8397 4.9020 5.1225 5.3443 5.5116 5.5676 5.8870 6.0712 6.6525 6.9699 7.1232 7.4945 7.7016 8.7544 9.0654 9.1183 9.3417 10.6963 10.7160 12.0674 12.0982 12.7685 12.8720 13.2278 13.3188 k =-0.2016 0.3228 0.7473 ( 3038 PWs) bands (ev): -25.3071 -25.3071 -8.1961 -8.1908 -7.1063 -7.0988 -7.0456 -7.0388 -0.5772 -0.5598 0.6173 0.6266 2.2205 2.2427 4.7394 4.8449 4.9093 5.1468 5.3590 5.5170 5.5635 5.8984 6.0570 6.6543 6.9944 7.1455 7.5356 7.7170 8.8294 9.1136 9.1988 9.3612 10.5485 10.5714 12.0814 12.1036 12.7331 12.8616 13.1961 13.2950 k =-0.2086 0.3339 0.7342 ( 3042 PWs) bands (ev): -25.3073 -25.3072 -8.1957 -8.1904 -7.1076 -7.1001 -7.0429 -7.0362 -0.6066 -0.5898 0.5911 0.6002 2.2723 2.2963 4.7551 4.8497 4.9161 5.1729 5.3767 5.5214 5.5674 5.9100 6.0450 6.6514 7.0233 7.1704 7.5767 7.7323 8.9025 9.1533 9.2791 9.3684 10.4135 10.4414 12.0869 12.1043 12.7007 12.8580 13.1646 13.2719 k =-0.2155 0.3450 0.7211 ( 3050 PWs) bands (ev): -25.3074 -25.3073 -8.1952 -8.1901 -7.1088 -7.1013 -7.0402 -7.0338 -0.6339 -0.6177 0.5666 0.5754 2.3201 2.3460 4.7636 4.8510 4.9274 5.1990 5.3959 5.5258 5.5796 5.9210 6.0358 6.6446 7.0560 7.1980 7.6170 7.7472 8.9685 9.1872 9.3329 9.3822 10.2975 10.3308 12.0771 12.0989 12.6747 12.8620 13.1327 13.2457 k =-0.2225 0.3561 0.7080 ( 3048 PWs) bands (ev): -25.3075 -25.3075 -8.1947 -8.1899 -7.1100 -7.1024 -7.0376 -7.0315 -0.6592 -0.6434 0.5439 0.5523 2.3637 2.3916 4.7667 4.8469 4.9449 5.2233 5.4148 5.5317 5.5996 5.9301 6.0307 6.6343 7.0921 7.2288 7.6560 7.7616 9.0166 9.2197 9.3097 9.4477 10.2079 10.2445 12.0492 12.0807 12.6601 12.8743 13.1008 13.2116 k =-0.2294 0.3672 0.6949 ( 3044 PWs) bands (ev): -25.3076 -25.3076 -8.1943 -8.1897 -7.1111 -7.1034 -7.0351 -7.0293 -0.6823 -0.6670 0.5229 0.5309 2.4033 2.4330 4.7663 4.8387 4.9662 5.2448 5.4322 5.5397 5.6273 5.9358 6.0310 6.6211 7.1313 7.2630 7.6932 7.7755 9.0308 9.2339 9.2810 9.5165 10.1519 10.1858 12.0009 12.0454 12.6617 12.8949 13.0720 13.1793 k =-0.2363 0.3783 0.6818 ( 3044 PWs) bands (ev): -25.3077 -25.3077 -8.1938 -8.1895 -7.1121 -7.1044 -7.0327 -7.0274 -0.7032 -0.6884 0.5037 0.5115 2.4387 2.4701 4.7641 4.8283 4.9884 5.2626 5.4479 5.5490 5.6620 5.9376 6.0371 6.6055 7.1737 7.3007 7.7280 7.7887 9.0043 9.1630 9.3260 9.5800 10.1285 10.1594 11.9310 11.9933 12.6811 12.9224 13.0514 13.1553 k =-0.2433 0.3894 0.6687 ( 3042 PWs) bands (ev): -25.3078 -25.3077 -8.1934 -8.1893 -7.1130 -7.1053 -7.0305 -7.0256 -0.7220 -0.7076 0.4865 0.4939 2.4701 2.5031 4.7610 4.8172 5.0099 5.2765 5.4628 5.5585 5.7026 5.9361 6.0480 6.5878 7.2191 7.3419 7.7601 7.8010 8.9442 9.0677 9.3815 9.6403 10.1221 10.1748 11.8423 11.9266 12.7164 12.9519 13.0451 13.1383 k =-0.2502 0.4005 0.6556 ( 3042 PWs) bands (ev): -25.3078 -25.3078 -8.1930 -8.1892 -7.1138 -7.1062 -7.0285 -7.0240 -0.7386 -0.7245 0.4712 0.4783 2.4974 2.5320 4.7577 4.8061 5.0297 5.2868 5.4773 5.5675 5.7467 5.9329 6.0621 6.5684 7.2677 7.3865 7.7889 7.8125 8.8618 8.9619 9.4321 9.7004 10.1285 10.2243 11.7400 11.8481 12.7641 12.9730 13.0620 13.1265 k =-0.2572 0.4116 0.6425 ( 3048 PWs) bands (ev): -25.3079 -25.3079 -8.1927 -8.1891 -7.1146 -7.1069 -7.0267 -7.0226 -0.7530 -0.7393 0.4579 0.4647 2.5209 2.5568 4.7546 4.7954 5.0471 5.2940 5.4914 5.5755 5.7919 5.9294 6.0776 6.5478 7.3192 7.4339 7.8137 7.8234 8.7672 8.8521 9.4735 9.7600 10.1503 10.2938 11.6297 11.7602 12.8205 12.9828 13.0949 13.1255 k =-0.2641 0.4227 0.6294 ( 3039 PWs) bands (ev): -25.3080 -25.3080 -8.1924 -8.1891 -7.1152 -7.1075 -7.0251 -7.0215 -0.7653 -0.7518 0.4466 0.4531 2.5405 2.5776 4.7519 4.7857 5.0620 5.2989 5.5045 5.5825 5.8352 5.9271 6.0932 6.5264 7.3731 7.4831 7.8298 7.8381 8.6689 8.7431 9.5058 9.8149 10.1888 10.3738 11.5170 11.6660 12.8812 12.9903 13.0996 13.1670 k =-0.2710 0.4338 0.6163 ( 3037 PWs) bands (ev): -25.3080 -25.3080 -8.1921 -8.1891 -7.1157 -7.1080 -7.0237 -7.0206 -0.7753 -0.7620 0.4373 0.4435 2.5563 2.5944 4.7500 4.7769 5.0742 5.3021 5.5160 5.5884 5.8718 5.9289 6.1081 6.5053 7.4282 7.5320 7.8384 7.8551 8.5741 8.6395 9.5301 9.8597 10.2440 10.4565 11.4075 11.5686 12.9364 13.0049 13.0966 13.2152 k =-0.2780 0.4449 0.6032 ( 3041 PWs) bands (ev): -25.3081 -25.3080 -8.1919 -8.1890 -7.1161 -7.1084 -7.0226 -7.0199 -0.7830 -0.7700 0.4301 0.4361 2.5686 2.6074 4.7489 4.7695 5.0836 5.3042 5.5255 5.5930 5.8932 5.9410 6.1212 6.4856 7.4820 7.5779 7.8452 7.8685 8.4898 8.5456 9.5478 9.8923 10.3125 10.5338 11.3090 11.4719 12.9667 13.0349 13.1060 13.2364 k =-0.2849 0.4561 0.5901 ( 3043 PWs) bands (ev): -25.3081 -25.3081 -8.1917 -8.1890 -7.1164 -7.1087 -7.0217 -7.0195 -0.7886 -0.7757 0.4249 0.4308 2.5772 2.6167 4.7488 4.7634 5.0902 5.3054 5.5325 5.5963 5.8996 5.9610 6.1318 6.4691 7.5299 7.6160 7.8504 7.8777 8.4236 8.4671 9.5599 9.9134 10.3856 10.5951 11.2325 11.3814 12.9771 13.0519 13.1495 13.2455 k =-0.2918 0.4672 0.5770 ( 3037 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1890 -7.1166 -7.1089 -7.0212 -7.0192 -0.7920 -0.7791 0.4218 0.4276 2.5824 2.6222 4.7493 4.7590 5.0942 5.3061 5.5369 5.5983 5.9008 5.9767 6.1387 6.4580 7.5648 7.6411 7.8540 7.8829 8.3833 8.4111 9.5670 9.9250 10.4482 10.6292 11.1914 11.3078 12.9813 13.0540 13.2084 13.2523 k =-0.2988 0.4783 0.5639 ( 3037 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1890 -7.1167 -7.1089 -7.0210 -7.0191 -0.7931 -0.7803 0.4207 0.4265 2.5842 2.6241 4.7497 4.7573 5.0955 5.3063 5.5383 5.5990 5.9011 5.9822 6.1412 6.4542 7.5779 7.6499 7.8552 7.8845 8.3717 8.3886 9.5693 9.9287 10.4751 10.6373 11.1831 11.2752 12.9826 13.0539 13.2388 13.2629 k =-0.2988 0.4783 0.5639 ( 3037 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1890 -7.1167 -7.1089 -7.0210 -7.0191 -0.7931 -0.7803 0.4207 0.4265 2.5842 2.6241 4.7497 4.7573 5.0955 5.3063 5.5383 5.5990 5.9011 5.9822 6.1412 6.4542 7.5779 7.6499 7.8552 7.8845 8.3717 8.3886 9.5693 9.9287 10.4751 10.6373 11.1831 11.2752 12.9826 13.0539 13.2388 13.2629 k =-0.2917 0.4669 0.5505 ( 3039 PWs) bands (ev): -25.3080 -25.3080 -8.1916 -8.1895 -7.1167 -7.1098 -7.0208 -7.0192 -0.7511 -0.7394 0.3544 0.3582 2.6314 2.6678 4.7558 4.7569 5.1186 5.2914 5.5318 5.6079 5.9186 5.9909 6.1207 6.4602 7.6272 7.6585 7.7654 7.7832 8.4013 8.4185 9.4697 9.8288 10.3810 10.5473 11.1787 11.2680 13.0188 13.1106 13.2855 13.3018 k =-0.2846 0.4555 0.5371 ( 3033 PWs) bands (ev): -25.3080 -25.3080 -8.1916 -8.1898 -7.1165 -7.1106 -7.0205 -7.0192 -0.7143 -0.7042 0.2961 0.2971 2.6772 2.7097 4.7568 4.7618 5.1431 5.2766 5.5245 5.6173 5.9345 6.0014 6.1029 6.4681 7.5908 7.6775 7.6898 7.7588 8.4316 8.4481 9.3714 9.7294 10.2887 10.4583 11.1781 11.2636 13.0482 13.1590 13.3151 13.3229 k =-0.2774 0.4441 0.5236 ( 3027 PWs) bands (ev): -25.3079 -25.3079 -8.1915 -8.1901 -7.1162 -7.1112 -7.0202 -7.0191 -0.6851 -0.6774 0.2461 0.2485 2.7213 2.7493 4.7568 4.7677 5.1692 5.2618 5.5167 5.6272 5.9482 6.0132 6.0878 6.4778 7.4920 7.6033 7.7308 7.7905 8.4625 8.4774 9.2748 9.6307 10.1984 10.3704 11.1811 11.2621 13.0716 13.1995 13.3335 13.3385 k =-0.2703 0.4327 0.5102 ( 3031 PWs) bands (ev): -25.3079 -25.3079 -8.1913 -8.1903 -7.1157 -7.1117 -7.0198 -7.0190 -0.6666 -0.6618 0.2082 0.2148 2.7631 2.7862 4.7564 4.7732 5.1970 5.2468 5.5088 5.6381 5.9592 6.0258 6.0758 6.4892 7.3936 7.5264 7.7848 7.8296 8.4938 8.5057 9.1802 9.5329 10.1104 10.2840 11.1878 11.2637 13.0897 13.2318 13.3403 13.3590 k =-0.2632 0.4213 0.4968 ( 3027 PWs) bands (ev): -25.3079 -25.3079 -8.1909 -8.1904 -7.1150 -7.1120 -7.0194 -7.0189 -0.6614 -0.6601 0.1865 0.1977 2.8023 2.8201 4.7554 4.7784 5.2267 5.2315 5.5013 5.6502 5.9671 6.0388 6.0669 6.5022 7.3004 7.4590 7.8403 7.8716 8.5252 8.5325 9.0885 9.4363 10.0250 10.1994 11.1982 11.2687 13.1037 13.2559 13.3460 13.3768 k =-0.2561 0.4099 0.4834 ( 3041 PWs) bands (ev): -25.3079 -25.3079 -8.1905 -8.1905 -7.1141 -7.1122 -7.0190 -7.0188 -0.6734 -0.6713 0.1827 0.1986 2.8384 2.8505 4.7533 4.7828 5.2156 5.2580 5.4947 5.6638 5.9717 6.0516 6.0608 6.5166 7.2140 7.4019 7.8970 7.9155 8.5566 8.5567 9.0003 9.3410 9.9423 10.1166 11.2123 11.2771 13.1147 13.2725 13.3506 13.3907 k =-0.2490 0.3986 0.4699 ( 3041 PWs) bands (ev): -25.3079 -25.3079 -8.1904 -8.1900 -7.1130 -7.1121 -7.0186 -7.0185 -0.7014 -0.6963 0.1969 0.2170 2.8712 2.8773 4.7500 4.7864 5.1990 5.2898 5.4904 5.6792 5.9735 6.0567 6.0640 6.5323 7.1355 7.3556 7.9548 7.9606 8.5764 8.5876 8.9178 9.2472 9.8628 10.0359 11.2303 11.2892 13.1233 13.2831 13.3524 13.3993 k =-0.2419 0.3872 0.4565 ( 3041 PWs) bands (ev): -25.3079 -25.3079 -8.1902 -8.1894 -7.1119 -7.1117 -7.0184 -7.0181 -0.7418 -0.7344 0.2274 0.2511 2.9003 2.9004 4.7453 4.7889 5.1817 5.3195 5.4907 5.6968 5.9732 6.0539 6.0755 6.5489 7.0660 7.3204 8.0064 8.0136 8.5872 8.6180 8.8449 9.1550 9.7868 9.9576 11.2523 11.3052 13.1301 13.2883 13.3502 13.4014 k =-0.2348 0.3758 0.4431 ( 3031 PWs) bands (ev): -25.3079 -25.3079 -8.1900 -8.1887 -7.1114 -7.1102 -7.0183 -7.0176 -0.7919 -0.7829 0.2713 0.2979 2.9194 2.9256 4.7390 4.7899 5.1637 5.3426 5.5001 5.7167 5.9718 6.0514 6.0856 6.5658 7.0069 7.2967 8.0524 8.0731 8.5807 8.6475 8.7902 9.0645 9.7146 9.8818 11.2784 11.3251 13.1349 13.2858 13.3458 13.3967 k =-0.2276 0.3644 0.4297 ( 3047 PWs) bands (ev): -25.3080 -25.3079 -8.1896 -8.1880 -7.1107 -7.1086 -7.0181 -7.0172 -0.8489 -0.8390 0.3260 0.3550 2.9346 2.9469 4.7312 4.7891 5.1451 5.3541 5.5228 5.7389 5.9698 6.0488 6.0941 6.5823 6.9594 7.2843 8.0979 8.1329 8.5478 8.6755 8.7628 8.9762 9.6468 9.8088 11.3085 11.3493 13.1368 13.2700 13.3448 13.3857 k =-0.2205 0.3530 0.4162 ( 3047 PWs) bands (ev): -25.3080 -25.3080 -8.1892 -8.1871 -7.1099 -7.1067 -7.0179 -7.0167 -0.9106 -0.9001 0.3891 0.4200 2.9461 2.9642 4.7218 4.7863 5.1259 5.3536 5.5587 5.7635 5.9677 6.0461 6.1007 6.5972 6.9253 7.2831 8.1418 8.1927 8.4935 8.7013 8.7579 8.8907 9.5840 9.7389 11.3429 11.3777 13.1343 13.2389 13.3500 13.3703 k =-0.2134 0.3416 0.4028 ( 3047 PWs) bands (ev): -25.3081 -25.3081 -8.1886 -8.1861 -7.1088 -7.1047 -7.0177 -7.0163 -0.9754 -0.9646 0.4588 0.4912 2.9539 2.9773 4.7112 4.7812 5.1064 5.3444 5.6038 5.7903 5.9658 6.0434 6.1054 6.6094 6.9059 7.2926 8.1824 8.2517 8.4307 8.7215 8.7636 8.8113 9.5268 9.6725 11.3813 11.4104 13.1242 13.1952 13.3537 13.3597 k =-0.2063 0.3302 0.3894 ( 3043 PWs) bands (ev): -25.3082 -25.3081 -8.1880 -8.1851 -7.1075 -7.1024 -7.0176 -7.0158 -1.0418 -1.0310 0.5336 0.5674 2.9581 2.9865 4.6993 4.7737 5.0866 5.3295 5.6540 5.8190 5.9645 6.0409 6.1080 6.6182 6.9021 7.3123 8.2155 8.3088 8.3700 8.7046 8.7699 8.7726 9.4760 9.6101 11.4238 11.4474 13.1030 13.1414 13.3394 13.3726 k =-0.1992 0.3188 0.3760 ( 3039 PWs) bands (ev): -25.3082 -25.3082 -8.1872 -8.1840 -7.1060 -7.1001 -7.0173 -7.0154 -1.1090 -1.0983 0.6126 0.6476 2.9591 2.9919 4.6865 4.7637 5.0668 5.3107 5.7069 5.8491 5.9641 6.0389 6.1089 6.6240 6.9130 7.3415 8.2263 8.3285 8.3619 8.6371 8.7814 8.7820 9.4326 9.5524 11.4702 11.4886 13.0678 13.0791 13.3272 13.3880 k =-0.1921 0.3075 0.3625 ( 3035 PWs) bands (ev): -25.3083 -25.3083 -8.1864 -8.1829 -7.1044 -7.0976 -7.0171 -7.0149 -1.1762 -1.1658 0.6949 0.7311 2.9571 2.9936 4.6729 4.7515 5.0472 5.2890 5.7605 5.8799 5.9654 6.0375 6.1084 6.6284 6.9366 7.3795 8.1942 8.3272 8.4045 8.5722 8.7906 8.7980 9.3975 9.5004 11.5199 11.5337 13.0095 13.0175 13.3015 13.4015 k =-0.1850 0.2961 0.3491 ( 3035 PWs) bands (ev): -25.3084 -25.3084 -8.1855 -8.1817 -7.1025 -7.0950 -7.0168 -7.0144 -1.2430 -1.2329 0.7800 0.8172 2.9522 2.9919 4.6587 4.7371 5.0279 5.2653 5.8133 5.9101 5.9694 6.0368 6.1069 6.6327 6.9701 7.4254 8.1429 8.3425 8.4124 8.5395 8.7979 8.8130 9.3716 9.4551 11.5725 11.5821 12.9331 12.9518 13.2254 13.2838 k =-0.1778 0.2847 0.3357 ( 3037 PWs) bands (ev): -25.3086 -25.3086 -8.1846 -8.1804 -7.1006 -7.0923 -7.0165 -7.0139 -1.3088 -1.2991 0.8672 0.9055 2.9449 2.9870 4.6443 4.7210 5.0089 5.2400 5.8641 5.9365 5.9790 6.0366 6.1048 6.6383 7.0107 7.4779 8.0916 8.3554 8.3690 8.5557 8.8037 8.8252 9.3558 9.4182 11.6268 11.6329 12.8505 12.8708 13.1263 13.1655 k =-0.1707 0.2733 0.3222 ( 3045 PWs) bands (ev): -25.3087 -25.3087 -8.1836 -8.1792 -7.0985 -7.0896 -7.0161 -7.0133 -1.3735 -1.3642 0.9562 0.9954 2.9354 2.9792 4.6297 4.7035 4.9904 5.2138 5.9119 5.9543 5.9988 6.0371 6.1026 6.6454 7.0557 7.5356 8.0462 8.3087 8.3611 8.5856 8.8079 8.8343 9.3507 9.3915 11.6812 11.6847 12.7630 12.7766 13.0338 13.0554 k =-0.1636 0.2619 0.3088 ( 3061 PWs) bands (ev): -25.3088 -25.3088 -8.1825 -8.1779 -7.0963 -7.0868 -7.0157 -7.0127 -1.4366 -1.4278 1.0466 1.0867 2.9240 2.9689 4.6153 4.6852 4.9723 5.1872 5.9559 5.9656 6.0248 6.0396 6.1006 6.6541 7.1019 7.5957 8.0103 8.2496 8.3586 8.6115 8.8097 8.8398 9.3568 9.3769 11.7326 11.7349 12.6736 12.6765 12.9520 12.9549 k =-0.1565 0.2505 0.2954 ( 3065 PWs) bands (ev): -25.3089 -25.3089 -8.1813 -8.1765 -7.0940 -7.0840 -7.0151 -7.0120 -1.4981 -1.4897 1.1379 1.1789 2.9110 2.9563 4.6012 4.6664 4.9547 5.1605 5.9751 5.9955 6.0361 6.0599 6.0991 6.6644 7.1454 7.6536 7.9876 8.1993 8.3482 8.6283 8.8084 8.8415 9.3738 9.3760 11.7760 11.7792 12.5806 12.5879 12.8638 12.8790 k =-0.1494 0.2391 0.2820 ( 3065 PWs) bands (ev): -25.3091 -25.3091 -8.1801 -8.1752 -7.0917 -7.0813 -7.0144 -7.0113 -1.5577 -1.5497 1.2298 1.2717 2.8966 2.9418 4.5877 4.6478 4.9376 5.1343 5.9846 6.0299 6.0385 6.0901 6.0986 6.6758 7.1820 7.7011 7.9821 8.1666 8.3308 8.6343 8.8034 8.8393 9.3892 9.4010 11.8035 11.8108 12.5010 12.5145 12.7818 12.8127 k =-0.1423 0.2277 0.2685 ( 3061 PWs) bands (ev): -25.3092 -25.3092 -8.1789 -8.1739 -7.0893 -7.0787 -7.0136 -7.0104 -1.6153 -1.6078 1.3220 1.3647 2.8811 2.9256 4.5749 4.6298 4.9210 5.1088 5.9939 6.0414 6.0579 6.1001 6.1207 6.6882 7.2075 7.7261 7.9972 8.1633 8.3080 8.6298 8.7944 8.8330 9.4156 9.4374 11.8050 11.8207 12.4489 12.4629 12.7090 12.7533 k =-0.1352 0.2164 0.2551 ( 3061 PWs) bands (ev): -25.3094 -25.3094 -8.1777 -8.1726 -7.0870 -7.0762 -7.0127 -7.0095 -1.6707 -1.6636 1.4140 1.4574 2.8648 2.9082 4.5631 4.6128 4.9049 5.0843 6.0020 6.0464 6.0761 6.1070 6.1507 6.7012 7.2199 7.7208 8.0345 8.1969 8.2811 8.6163 8.7813 8.8226 9.4536 9.4814 11.7745 11.8015 12.4279 12.4370 12.6495 12.7040 k =-0.1281 0.2050 0.2417 ( 3061 PWs) bands (ev): -25.3095 -25.3095 -8.1764 -8.1713 -7.0847 -7.0739 -7.0115 -7.0085 -1.7238 -1.7172 1.5055 1.5496 2.8479 2.8898 4.5524 4.5972 4.8894 5.0611 6.0073 6.0548 6.0829 6.1206 6.1799 6.7147 7.2193 7.6898 8.0925 8.2513 8.2619 8.5962 8.7651 8.8082 9.5006 9.5316 11.7160 11.7544 12.4222 12.4249 12.6171 12.6745 k =-0.1209 0.1936 0.2283 ( 3057 PWs) bands (ev): -25.3097 -25.3097 -8.1752 -8.1701 -7.0824 -7.0718 -7.0103 -7.0073 -1.7746 -1.7684 1.5960 1.6408 2.8307 2.8707 4.5430 4.5833 4.8746 5.0395 6.0094 6.0670 6.0843 6.1349 6.2083 6.7282 7.2083 7.6431 8.1673 8.2199 8.3467 8.5721 8.7471 8.7901 9.5544 9.5867 11.6403 11.6877 12.3915 12.4138 12.6306 12.6805 k =-0.1138 0.1822 0.2148 ( 3057 PWs) bands (ev): -25.3098 -25.3098 -8.1739 -8.1689 -7.0803 -7.0698 -7.0088 -7.0061 -1.8229 -1.8172 1.6851 1.7304 2.8134 2.8512 4.5351 4.5715 4.8604 5.0194 6.0089 6.0819 6.0837 6.1466 6.2360 6.7416 7.1901 7.5883 8.1873 8.2533 8.4377 8.5503 8.7299 8.7695 9.6131 9.6453 11.5570 11.6108 12.3405 12.3807 12.6850 12.7266 k =-0.1067 0.1708 0.2014 ( 3053 PWs) bands (ev): -25.3100 -25.3100 -8.1727 -8.1677 -7.0782 -7.0681 -7.0072 -7.0047 -1.8687 -1.8634 1.7724 1.8181 2.7963 2.8316 4.5289 4.5621 4.8469 5.0011 6.0065 6.0816 6.0988 6.1549 6.2631 6.7546 7.1677 7.5296 8.1548 8.3410 8.4835 8.5745 8.7197 8.7507 9.6752 9.7064 11.4723 11.5302 12.2798 12.3315 12.7631 12.8002 k =-0.0996 0.1594 0.1880 ( 3055 PWs) bands (ev): -25.3101 -25.3101 -8.1715 -8.1666 -7.0763 -7.0666 -7.0055 -7.0032 -1.9118 -1.9069 1.8573 1.9033 2.7795 2.8121 4.5243 4.5551 4.8343 4.9846 6.0026 6.0781 6.1166 6.1601 6.2898 6.7669 7.1433 7.4693 8.1226 8.4158 8.4625 8.6392 8.7291 8.7595 9.7392 9.7691 11.3901 11.4500 12.2148 12.2736 12.8548 12.8899 k =-0.0925 0.1480 0.1745 ( 3061 PWs) bands (ev): -25.3103 -25.3102 -8.1703 -8.1656 -7.0745 -7.0653 -7.0036 -7.0017 -1.9522 -1.9478 1.9393 1.9855 2.7633 2.7929 4.5215 4.5508 4.8226 4.9700 5.9974 6.0726 6.1348 6.1629 6.3162 6.7781 7.1188 7.4090 8.0914 8.4311 8.4573 8.6400 8.7771 8.8428 9.8044 9.8325 11.3125 11.3727 12.1475 12.2106 12.9552 12.9892 k =-0.0854 0.1366 0.1611 ( 3061 PWs) bands (ev): -25.3104 -25.3104 -8.1691 -8.1646 -7.0729 -7.0643 -7.0017 -7.0000 -1.9899 -1.9859 2.0180 2.0640 2.7478 2.7744 4.5206 4.5491 4.8120 4.9571 5.9911 6.0647 6.1526 6.1639 6.3426 6.7877 7.0954 7.3497 8.0615 8.3977 8.4620 8.6102 8.8661 8.9586 9.8697 9.8959 11.2408 11.2995 12.0786 12.1438 13.0613 13.0948 k =-0.0783 0.1253 0.1477 ( 3053 PWs) bands (ev): -25.3105 -25.3105 -8.1680 -8.1638 -7.0714 -7.0634 -6.9997 -6.9984 -2.0248 -2.0211 2.0928 2.1383 2.7333 2.7566 4.5214 4.5501 4.8026 4.9460 5.9839 6.0539 6.1640 6.1697 6.3693 6.7955 7.0737 7.2922 8.0334 8.3637 8.4456 8.5728 8.9797 9.0824 9.9346 9.9588 11.1756 11.2313 12.0081 12.0734 13.1714 13.2046 k =-0.0711 0.1139 0.1343 ( 3057 PWs) bands (ev): -25.3106 -25.3106 -8.1669 -8.1630 -7.0701 -7.0628 -6.9978 -6.9967 -2.0568 -2.0535 2.1630 2.2078 2.7200 2.7400 4.5239 4.5536 4.7947 4.9365 5.9756 6.0400 6.1641 6.1853 6.3964 6.8008 7.0543 7.2373 8.0077 8.3293 8.4202 8.5324 9.1052 9.2089 9.9985 10.0206 11.1172 11.1684 11.9361 11.9997 13.2839 13.3170 k =-0.0640 0.1025 0.1208 ( 3059 PWs) bands (ev): -25.3107 -25.3107 -8.1659 -8.1622 -7.0688 -7.0623 -6.9958 -6.9950 -2.0859 -2.0830 2.2282 2.2719 2.7080 2.7246 4.5279 4.5591 4.7886 4.9284 5.9665 6.0233 6.1647 6.1990 6.4241 6.8035 7.0372 7.1857 7.9848 8.2948 8.3918 8.4911 9.2360 9.3355 10.0611 10.0808 11.0655 11.1109 11.8624 11.9225 13.3975 13.4305 k =-0.0569 0.0911 0.1074 ( 3065 PWs) bands (ev): -25.3108 -25.3108 -8.1649 -8.1616 -7.0678 -7.0619 -6.9940 -6.9934 -2.1120 -2.1095 2.2878 2.3298 2.6975 2.7107 4.5333 4.5662 4.7847 4.9216 5.9567 6.0043 6.1660 6.2101 6.4527 6.8032 7.0223 7.1382 7.9653 8.2599 8.3635 8.4505 9.3683 9.4603 10.1222 10.1393 11.0203 11.0585 11.7872 11.8421 13.5108 13.5437 k =-0.0498 0.0797 0.0940 ( 3061 PWs) bands (ev): -25.3109 -25.3109 -8.1641 -8.1611 -7.0668 -7.0617 -6.9923 -6.9919 -2.1351 -2.1329 2.3412 2.3811 2.6888 2.6986 4.5398 4.5739 4.7834 4.9155 5.9462 5.9840 6.1681 6.2185 6.4821 6.7998 7.0092 7.0955 7.9498 8.2245 8.3370 8.4120 9.4990 9.5811 10.1818 10.1960 10.9808 11.0111 11.7108 11.7589 13.6218 13.6547 k =-0.0427 0.0683 0.0806 ( 3061 PWs) bands (ev): -25.3110 -25.3110 -8.1633 -8.1607 -7.0660 -7.0616 -6.9908 -6.9905 -2.1552 -2.1534 2.3881 2.4252 2.6818 2.6885 4.5470 4.5815 4.7853 4.9098 5.9354 5.9633 6.1712 6.2238 6.5122 6.7932 6.9975 7.0582 7.9389 8.1886 8.3134 8.3767 9.6251 9.6953 10.2404 10.2513 10.9465 10.9680 11.6340 11.6738 13.7283 13.7611 k =-0.0356 0.0569 0.0671 ( 3065 PWs) bands (ev): -25.3111 -25.3111 -8.1625 -8.1603 -7.0652 -7.0616 -6.9894 -6.9893 -2.1723 -2.1707 2.4280 2.4614 2.6768 2.6807 4.5546 4.5880 4.7906 4.9039 5.9246 5.9436 6.1752 6.2261 6.5429 6.7836 6.9869 7.0267 7.9332 8.1523 8.2935 8.3454 9.7427 9.7997 10.2986 10.3060 10.9163 10.9285 11.5582 11.5886 13.8272 13.8593 k =-0.0285 0.0455 0.0537 ( 3057 PWs) bands (ev): -25.3111 -25.3111 -8.1619 -8.1601 -7.0645 -7.0617 -6.9883 -6.9882 -2.1862 -2.1850 2.4608 2.4895 2.6736 2.6754 4.5624 4.5925 4.7994 4.8972 5.9143 5.9259 6.1800 6.2256 6.5738 6.7708 6.9773 7.0013 7.9332 8.1162 8.2778 8.3188 9.8475 9.8905 10.3573 10.3614 10.8887 10.8920 11.4855 11.5062 13.9143 13.9442 k =-0.0213 0.0342 0.0403 ( 3061 PWs) bands (ev): -25.3112 -25.3112 -8.1613 -8.1600 -7.0639 -7.0618 -6.9874 -6.9873 -2.1971 -2.1962 2.4865 2.5093 2.6721 2.6725 4.5700 4.5947 4.8112 4.8892 5.9050 5.9112 6.1856 6.2228 6.6045 6.7551 6.9689 6.9819 7.9389 8.0809 8.2666 8.2971 9.9344 9.9638 10.4160 10.4178 10.8577 10.8619 11.4196 11.4312 13.9850 14.0096 k =-0.0142 0.0228 0.0269 ( 3055 PWs) bands (ev): -25.3112 -25.3112 -8.1609 -8.1600 -7.0634 -7.0620 -6.9867 -6.9867 -2.2048 -2.2042 2.5054 2.5213 2.6715 2.6717 4.5771 4.5947 4.8251 4.8794 5.8975 5.9003 6.1918 6.2180 6.6345 6.7363 6.9622 6.9685 7.9505 8.0475 8.2600 8.2802 9.9991 10.0166 10.4719 10.4730 10.8262 10.8346 11.3652 11.3700 14.0364 14.0528 k =-0.0071 0.0114 0.0134 ( 3045 PWs) bands (ev): -25.3112 -25.3112 -8.1605 -8.1600 -7.0630 -7.0623 -6.9863 -6.9863 -2.2094 -2.2091 2.5181 2.5262 2.6715 2.6718 4.5834 4.5925 4.8398 4.8677 5.8927 5.8937 6.1985 6.2121 6.6632 6.7145 6.9581 6.9604 7.9677 8.0170 8.2580 8.2681 10.0393 10.0472 10.5166 10.5178 10.8018 10.8089 11.3286 11.3296 14.0684 14.0762 k = 0.0000 0.0000 0.0000 ( 3043 PWs) bands (ev): -25.3112 -25.3112 -8.1602 -8.1602 -7.0626 -7.0626 -6.9862 -6.9862 -2.2108 -2.2108 2.5250 2.5250 2.6718 2.6718 4.5887 4.5887 4.8543 4.8543 5.8912 5.8912 6.2054 6.2054 6.6900 6.6900 6.9572 6.9572 7.9901 7.9901 8.2607 8.2607 10.0550 10.0550 10.5355 10.5355 10.7945 10.7945 11.3155 11.3155 14.0816 14.0816 k = 0.0000 0.0000 0.0000 ( 3043 PWs) bands (ev): -25.3112 -25.3112 -8.1602 -8.1602 -7.0626 -7.0626 -6.9862 -6.9862 -2.2108 -2.2108 2.5250 2.5250 2.6718 2.6718 4.5887 4.5887 4.8543 4.8543 5.8912 5.8912 6.2054 6.2054 6.6900 6.6900 6.9572 6.9572 7.9901 7.9901 8.2607 8.2607 10.0550 10.0550 10.5355 10.5355 10.7945 10.7945 11.3155 11.3155 14.0816 14.0816 k = 0.0161 0.0101 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1603 -8.1603 -7.0627 -7.0627 -6.9862 -6.9862 -2.2095 -2.2095 2.5246 2.5246 2.6679 2.6679 4.5889 4.5889 4.8551 4.8551 5.8859 5.8859 6.2057 6.2057 6.7011 6.7011 6.9584 6.9584 7.9868 7.9868 8.2574 8.2574 10.0600 10.0600 10.5403 10.5403 10.7938 10.7938 11.3164 11.3164 14.0728 14.0728 k = 0.0323 0.0202 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1604 -8.1604 -7.0631 -7.0631 -6.9862 -6.9862 -2.2057 -2.2057 2.5233 2.5233 2.6561 2.6561 4.5896 4.5896 4.8574 4.8574 5.8710 5.8710 6.2065 6.2065 6.7334 6.7334 6.9622 6.9622 7.9770 7.9770 8.2476 8.2476 10.0747 10.0747 10.5547 10.5547 10.7916 10.7916 11.3193 11.3193 14.0472 14.0472 k = 0.0484 0.0302 0.0000 ( 3047 PWs) bands (ev): -25.3112 -25.3112 -8.1606 -8.1606 -7.0637 -7.0637 -6.9863 -6.9863 -2.1993 -2.1993 2.5212 2.5212 2.6368 2.6368 4.5908 4.5908 4.8612 4.8612 5.8485 5.8485 6.2078 6.2078 6.7843 6.7843 6.9683 6.9683 7.9611 7.9611 8.2315 8.2315 10.0988 10.0988 10.5784 10.5784 10.7883 10.7883 11.3240 11.3240 14.0067 14.0067 k = 0.0645 0.0403 0.0000 ( 3047 PWs) bands (ev): -25.3112 -25.3112 -8.1609 -8.1609 -7.0645 -7.0645 -6.9863 -6.9863 -2.1905 -2.1905 2.5183 2.5183 2.6103 2.6103 4.5925 4.5925 4.8664 4.8664 5.8210 5.8210 6.2096 6.2096 6.8507 6.8507 6.9769 6.9769 7.9397 7.9397 8.2096 8.2096 10.1318 10.1318 10.6108 10.6108 10.7840 10.7840 11.3306 11.3306 13.9538 13.9538 k = 0.0806 0.0504 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1613 -8.1613 -7.0655 -7.0655 -6.9864 -6.9864 -2.1792 -2.1792 2.5146 2.5146 2.5770 2.5770 4.5947 4.5947 4.8731 4.8731 5.7909 5.7909 6.2119 6.2119 6.9298 6.9298 6.9879 6.9879 7.9136 7.9136 8.1826 8.1826 10.1729 10.1729 10.6514 10.6514 10.7792 10.7792 11.3392 11.3392 13.8913 13.8913 k = 0.0968 0.0605 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1618 -8.1618 -7.0668 -7.0668 -6.9865 -6.9865 -2.1655 -2.1655 2.5101 2.5101 2.5375 2.5375 4.5975 4.5975 4.8812 4.8812 5.7596 5.7596 6.2146 6.2146 7.0011 7.0011 7.0186 7.0186 7.8841 7.8841 8.1509 8.1509 10.2212 10.2212 10.6994 10.6994 10.7745 10.7745 11.3498 11.3498 13.8216 13.8216 k = 0.1129 0.0705 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1624 -8.1624 -7.0682 -7.0682 -6.9866 -6.9866 -2.1496 -2.1496 2.4924 2.4924 2.5051 2.5051 4.6009 4.6009 4.8907 4.8907 5.7285 5.7285 6.2176 6.2176 7.0165 7.0165 7.1146 7.1146 7.8524 7.8524 8.1153 8.1153 10.2757 10.2757 10.7540 10.7540 10.7706 10.7706 11.3625 11.3625 13.7471 13.7471 k = 0.1290 0.0806 0.0000 ( 3039 PWs) bands (ev): -25.3112 -25.3112 -8.1630 -8.1630 -7.0698 -7.0698 -6.9867 -6.9867 -2.1315 -2.1315 2.4424 2.4424 2.4994 2.4994 4.6049 4.6049 4.9015 4.9015 5.6982 5.6982 6.2210 6.2210 7.0339 7.0339 7.2148 7.2148 7.8207 7.8207 8.0765 8.0765 10.3355 10.3355 10.7681 10.7681 10.8144 10.8144 11.3773 11.3773 13.6694 13.6694 k = 0.1452 0.0907 0.0000 ( 3047 PWs) bands (ev): -25.3112 -25.3112 -8.1637 -8.1637 -7.0716 -7.0716 -6.9868 -6.9868 -2.1114 -2.1114 2.3881 2.3881 2.4931 2.4931 4.6094 4.6094 4.9134 4.9134 5.6692 5.6692 6.2245 6.2245 7.0531 7.0531 7.3147 7.3147 7.7928 7.7928 8.0352 8.0352 10.3992 10.3992 10.7683 10.7683 10.8798 10.8798 11.3942 11.3942 13.5902 13.5902 k = 0.1613 0.1008 0.0000 ( 3047 PWs) bands (ev): -25.3112 -25.3112 -8.1644 -8.1644 -7.0735 -7.0735 -6.9869 -6.9869 -2.0894 -2.0894 2.3304 2.3304 2.4864 2.4864 4.6143 4.6143 4.9266 4.9266 5.6417 5.6417 6.2283 6.2283 7.0741 7.0741 7.4056 7.4056 7.7768 7.7768 7.9919 7.9919 10.4653 10.4653 10.7725 10.7725 10.9493 10.9493 11.4134 11.4134 13.5106 13.5106 k = 0.1774 0.1108 0.0000 ( 3047 PWs) bands (ev): -25.3111 -25.3111 -8.1652 -8.1652 -7.0755 -7.0755 -6.9871 -6.9871 -2.0655 -2.0655 2.2698 2.2698 2.4793 2.4793 4.6197 4.6197 4.9408 4.9408 5.6160 5.6160 6.2322 6.2322 7.0966 7.0966 7.4705 7.4705 7.7892 7.7892 7.9473 7.9473 10.5316 10.5316 10.7829 10.7829 11.0222 11.0222 11.4350 11.4350 13.4318 13.4318 k = 0.1935 0.1209 0.0000 ( 3047 PWs) bands (ev): -25.3111 -25.3111 -8.1660 -8.1660 -7.0776 -7.0776 -6.9872 -6.9872 -2.0402 -2.0402 2.2070 2.2070 2.4719 2.4719 4.6254 4.6254 4.9559 4.9559 5.5920 5.5920 6.2361 6.2361 7.1202 7.1202 7.4928 7.4928 7.8461 7.8461 7.9020 7.9020 10.5948 10.5948 10.8028 10.8028 11.0974 11.0974 11.4591 11.4591 13.3544 13.3544 k = 0.2097 0.1310 0.0000 ( 3039 PWs) bands (ev): -25.3111 -25.3111 -8.1669 -8.1669 -7.0798 -7.0798 -6.9874 -6.9874 -2.0134 -2.0134 2.1428 2.1428 2.4643 2.4643 4.6313 4.6313 4.9719 4.9719 5.5699 5.5699 6.2401 6.2401 7.1449 7.1449 7.4804 7.4804 7.8563 7.8563 7.9389 7.9389 10.6505 10.6505 10.8366 10.8366 11.1742 11.1742 11.4857 11.4857 13.2794 13.2794 k = 0.2258 0.1411 0.0000 ( 3035 PWs) bands (ev): -25.3111 -25.3111 -8.1678 -8.1678 -7.0820 -7.0820 -6.9875 -6.9875 -1.9854 -1.9854 2.0778 2.0778 2.4565 2.4565 4.6373 4.6373 4.9886 4.9886 5.5497 5.5497 6.2441 6.2441 7.1701 7.1701 7.4508 7.4508 7.8109 7.8109 8.0495 8.0495 10.6962 10.6962 10.8867 10.8867 11.2516 11.2516 11.5152 11.5152 13.2072 13.2072 k = 0.2419 0.1511 0.0000 ( 3036 PWs) bands (ev): -25.3111 -25.3111 -8.1687 -8.1687 -7.0842 -7.0842 -6.9877 -6.9877 -1.9565 -1.9565 2.0125 2.0125 2.4487 2.4487 4.6432 4.6432 5.0058 5.0058 5.5314 5.5314 6.2481 6.2481 7.1957 7.1957 7.4138 7.4138 7.7663 7.7663 8.1674 8.1674 10.7349 10.7349 10.9504 10.9504 11.3285 11.3285 11.5475 11.5475 13.1384 13.1384 k = 0.2581 0.1612 0.0000 ( 3036 PWs) bands (ev): -25.3111 -25.3111 -8.1696 -8.1696 -7.0865 -7.0865 -6.9878 -6.9878 -1.9268 -1.9268 1.9476 1.9476 2.4409 2.4409 4.6489 4.6489 5.0235 5.0235 5.5150 5.5150 6.2519 6.2519 7.2210 7.2210 7.3737 7.3737 7.7229 7.7229 8.2873 8.2873 10.7718 10.7718 11.0224 11.0224 11.4037 11.4037 11.5831 11.5831 13.0736 13.0736 k = 0.2742 0.1713 0.0000 ( 3048 PWs) bands (ev): -25.3110 -25.3110 -8.1705 -8.1705 -7.0887 -7.0887 -6.9880 -6.9880 -1.8968 -1.8968 1.8835 1.8835 2.4332 2.4332 4.6544 4.6544 5.0414 5.0414 5.5006 5.5006 6.2557 6.2557 7.2457 7.2457 7.3325 7.3325 7.6814 7.6814 8.4062 8.4062 10.8113 10.8113 11.0983 11.0983 11.4760 11.4760 11.6220 11.6220 13.0132 13.0132 k = 0.2903 0.1814 0.0000 ( 3048 PWs) bands (ev): -25.3110 -25.3110 -8.1714 -8.1714 -7.0909 -7.0909 -6.9881 -6.9881 -1.8665 -1.8665 1.8209 1.8209 2.4257 2.4257 4.6594 4.6594 5.0594 5.0594 5.4880 5.4880 6.2593 6.2593 7.2690 7.2690 7.2915 7.2915 7.6423 7.6423 8.5221 8.5221 10.8563 10.8563 11.1754 11.1754 11.5443 11.5443 11.6643 11.6643 12.9576 12.9576 k = 0.3065 0.1914 0.0000 ( 3048 PWs) bands (ev): -25.3110 -25.3110 -8.1723 -8.1723 -7.0930 -7.0930 -6.9883 -6.9883 -1.8365 -1.8365 1.7602 1.7602 2.4184 2.4184 4.6639 4.6639 5.0773 5.0773 5.4774 5.4774 6.2628 6.2628 7.2513 7.2513 7.2902 7.2902 7.6067 7.6067 8.6331 8.6331 10.9083 10.9083 11.2518 11.2518 11.6076 11.6076 11.7096 11.7096 12.9072 12.9072 k = 0.3226 0.2015 0.0000 ( 3056 PWs) bands (ev): -25.3110 -25.3110 -8.1731 -8.1731 -7.0950 -7.0950 -6.9884 -6.9884 -1.8069 -1.8069 1.7020 1.7020 2.4114 2.4114 4.6679 4.6679 5.0949 5.0949 5.4685 5.4685 6.2661 6.2661 7.2126 7.2126 7.3080 7.3080 7.5755 7.5755 8.7377 8.7377 10.9684 10.9684 11.3261 11.3261 11.6661 11.6661 11.7566 11.7566 12.8623 12.8623 k = 0.3387 0.2116 0.0000 ( 3056 PWs) bands (ev): -25.3110 -25.3110 -8.1739 -8.1739 -7.0969 -7.0969 -6.9886 -6.9886 -1.7782 -1.7782 1.6468 1.6468 2.4048 2.4048 4.6713 4.6713 5.1119 5.1119 5.4613 5.4613 6.2692 6.2692 7.1758 7.1758 7.3211 7.3211 7.5502 7.5502 8.8348 8.8348 11.0373 11.0373 11.3971 11.3971 11.7207 11.7207 11.8031 11.8031 12.8231 12.8231 k = 0.3548 0.2217 0.0000 ( 3048 PWs) bands (ev): -25.3110 -25.3110 -8.1746 -8.1746 -7.0987 -7.0987 -6.9887 -6.9887 -1.7507 -1.7507 1.5950 1.5950 2.3987 2.3987 4.6742 4.6742 5.1283 5.1283 5.4558 5.4558 6.2721 6.2721 7.1412 7.1412 7.3277 7.3277 7.5325 7.5325 8.9233 8.9233 11.1151 11.1151 11.4637 11.4637 11.7721 11.7721 11.8471 11.8471 12.7896 12.7896 k = 0.3710 0.2318 0.0000 ( 3064 PWs) bands (ev): -25.3109 -25.3109 -8.1753 -8.1753 -7.1003 -7.1003 -6.9888 -6.9888 -1.7247 -1.7247 1.5471 1.5471 2.3930 2.3930 4.6764 4.6764 5.1437 5.1437 5.4516 5.4516 6.2748 6.2748 7.1093 7.1093 7.3272 7.3272 7.5231 7.5231 9.0025 9.0025 11.2013 11.2013 11.5252 11.5252 11.8202 11.8202 11.8879 11.8879 12.7614 12.7614 k = 0.3871 0.2418 0.0000 ( 3068 PWs) bands (ev): -25.3109 -25.3109 -8.1760 -8.1760 -7.1018 -7.1018 -6.9889 -6.9889 -1.7007 -1.7007 1.5035 1.5035 2.3879 2.3879 4.6781 4.6781 5.1579 5.1579 5.4487 5.4487 6.2772 6.2772 7.0803 7.0803 7.3203 7.3203 7.5211 7.5211 9.0719 9.0719 11.2947 11.2947 11.5810 11.5810 11.8634 11.8634 11.9266 11.9266 12.7376 12.7376 k = 0.4032 0.2519 0.0000 ( 3068 PWs) bands (ev): -25.3109 -25.3109 -8.1765 -8.1765 -7.1031 -7.1031 -6.9890 -6.9890 -1.6790 -1.6790 1.4647 1.4647 2.3834 2.3834 4.6793 4.6793 5.1708 5.1708 5.4467 5.4467 6.2793 6.2793 7.0545 7.0545 7.3094 7.3094 7.5244 7.5244 9.1314 9.1314 11.3933 11.3933 11.6316 11.6316 11.8985 11.8985 11.9657 11.9657 12.7159 12.7159 k = 0.4194 0.2620 0.0000 ( 3072 PWs) bands (ev): -25.3109 -25.3109 -8.1770 -8.1770 -7.1042 -7.1042 -6.9891 -6.9891 -1.6599 -1.6599 1.4312 1.4312 2.3795 2.3795 4.6802 4.6802 5.1820 5.1820 5.4456 5.4456 6.2812 6.2812 7.0322 7.0322 7.2969 7.2969 7.5303 7.5303 9.1810 9.1810 11.4927 11.4927 11.6791 11.6791 11.9239 11.9239 12.0065 12.0065 12.6908 12.6908 k = 0.4355 0.2721 0.0000 ( 3080 PWs) bands (ev): -25.3109 -25.3109 -8.1774 -8.1774 -7.1052 -7.1052 -6.9892 -6.9892 -1.6437 -1.6437 1.4031 1.4031 2.3763 2.3763 4.6808 4.6808 5.1915 5.1915 5.4450 5.4450 6.2827 6.2827 7.0136 7.0136 7.2849 7.2849 7.5370 7.5370 9.2211 9.2211 11.5836 11.5836 11.7300 11.7300 11.9411 11.9411 12.0467 12.0467 12.6508 12.6508 k = 0.4516 0.2821 0.0000 ( 3080 PWs) bands (ev): -25.3109 -25.3109 -8.1777 -8.1777 -7.1059 -7.1059 -6.9892 -6.9892 -1.6309 -1.6309 1.3810 1.3810 2.3737 2.3737 4.6811 4.6811 5.1991 5.1991 5.4448 5.4448 6.2840 6.2840 6.9989 6.9989 7.2744 7.2744 7.5431 7.5431 9.2518 9.2518 11.6500 11.6500 11.7968 11.7968 11.9523 11.9523 12.0831 12.0831 12.5871 12.5871 k = 0.4677 0.2922 0.0000 ( 3068 PWs) bands (ev): -25.3109 -25.3109 -8.1779 -8.1779 -7.1064 -7.1064 -6.9893 -6.9893 -1.6215 -1.6215 1.3650 1.3650 2.3719 2.3719 4.6813 4.6813 5.2046 5.2046 5.4448 5.4448 6.2849 6.2849 6.9883 6.9883 7.2665 7.2665 7.5480 7.5480 9.2734 9.2734 11.6867 11.6867 11.8781 11.8781 11.9593 11.9593 12.1122 12.1122 12.5110 12.5110 k = 0.4839 0.3023 0.0000 ( 3068 PWs) bands (ev): -25.3109 -25.3109 -8.1781 -8.1781 -7.1068 -7.1068 -6.9893 -6.9893 -1.6158 -1.6158 1.3553 1.3553 2.3708 2.3708 4.6814 4.6814 5.2080 5.2080 5.4449 5.4449 6.2854 6.2854 6.9819 6.9819 7.2616 7.2616 7.5511 7.5511 9.2863 9.2863 11.7043 11.7043 11.9501 11.9501 11.9631 11.9631 12.1312 12.1312 12.4441 12.4441 k = 0.5000 0.3124 0.0000 ( 3060 PWs) bands (ev): -25.3109 -25.3109 -8.1781 -8.1781 -7.1069 -7.1069 -6.9893 -6.9893 -1.6139 -1.6139 1.3520 1.3520 2.3704 2.3704 4.6814 4.6814 5.2091 5.2091 5.4449 5.4449 6.2856 6.2856 6.9798 6.9798 7.2599 7.2599 7.5521 7.5521 9.2906 9.2906 11.7096 11.7096 11.9642 11.9642 11.9808 11.9808 12.1378 12.1378 12.4154 12.4154 k = 0.5000 0.3124 0.0000 ( 3060 PWs) bands (ev): -25.3109 -25.3109 -8.1781 -8.1781 -7.1069 -7.1069 -6.9893 -6.9893 -1.6139 -1.6139 1.3520 1.3520 2.3704 2.3704 4.6814 4.6814 5.2091 5.2091 5.4449 5.4449 6.2856 6.2856 6.9798 6.9798 7.2599 7.2599 7.5521 7.5521 9.2906 9.2906 11.7096 11.7096 11.9642 11.9642 11.9808 11.9808 12.1378 12.1378 12.4154 12.4154 k = 0.4931 0.3235 0.0131 ( 3060 PWs) bands (ev): -25.3109 -25.3109 -8.1783 -8.1779 -7.1073 -7.1065 -6.9894 -6.9894 -1.6131 -1.6125 1.3528 1.3529 2.3658 2.3713 4.6782 4.6851 5.1941 5.2228 5.4356 5.4553 6.2773 6.2897 6.9614 6.9926 7.2238 7.2868 7.5323 7.5854 9.2890 9.3078 11.6893 11.6986 11.9298 11.9413 11.9831 11.9843 12.1544 12.1688 12.4166 12.4250 k = 0.4861 0.3346 0.0262 ( 3058 PWs) bands (ev): -25.3109 -25.3109 -8.1786 -8.1778 -7.1076 -7.1060 -6.9898 -6.9898 -1.6101 -1.6090 1.3551 1.3554 2.3574 2.3682 4.6755 4.6892 5.1778 5.2354 5.4278 5.4666 6.2645 6.2904 6.9383 6.9987 7.1861 7.2963 7.5344 7.6246 9.3030 9.3404 11.6360 11.6466 11.8840 11.9082 11.9776 11.9896 12.1874 12.2121 12.4328 12.4434 k = 0.4792 0.3457 0.0393 ( 3050 PWs) bands (ev): -25.3108 -25.3108 -8.1789 -8.1777 -7.1079 -7.1055 -6.9903 -6.9903 -1.6049 -1.6034 1.3590 1.3593 2.3453 2.3615 4.6732 4.6938 5.1599 5.2471 5.4216 5.4783 6.2465 6.2880 6.9116 6.9967 7.1510 7.2892 7.5586 7.6654 9.3323 9.3878 11.5502 11.5514 11.8616 11.8861 11.9720 11.9934 12.2098 12.2366 12.4661 12.4686 k = 0.4722 0.3568 0.0524 ( 3040 PWs) bands (ev): -25.3108 -25.3108 -8.1793 -8.1777 -7.1082 -7.1050 -6.9911 -6.9911 -1.5976 -1.5955 1.3642 1.3646 2.3297 2.3511 4.6713 4.6989 5.1407 5.2583 5.4172 5.4903 6.2230 6.2830 6.8823 6.9850 7.1206 7.2754 7.5963 7.7055 9.3762 9.4492 11.4291 11.4415 11.8556 11.8728 11.9686 11.9964 12.2171 12.2410 12.4960 12.5097 k = 0.4653 0.3679 0.0655 ( 3042 PWs) bands (ev): -25.3107 -25.3107 -8.1797 -8.1777 -7.1084 -7.1045 -6.9921 -6.9920 -1.5882 -1.5855 1.3705 1.3709 2.3108 2.3373 4.6698 4.7045 5.1202 5.2692 5.4146 5.5022 6.1942 6.2757 6.8519 6.9633 7.0956 7.2634 7.6394 7.7440 9.4337 9.5234 11.2928 11.3194 11.8560 11.8600 11.9701 11.9990 12.2122 12.2325 12.5210 12.5549 k = 0.4584 0.3790 0.0786 ( 3042 PWs) bands (ev): -25.3107 -25.3107 -8.1801 -8.1778 -7.1086 -7.1040 -6.9933 -6.9932 -1.5766 -1.5734 1.3776 1.3779 2.2890 2.3205 4.6687 4.7107 5.0989 5.2799 5.4139 5.5138 6.1602 6.2664 6.8215 6.9328 7.0759 7.2567 7.6836 7.7801 9.5033 9.6091 11.1488 11.1893 11.8412 11.8568 11.9790 12.0025 12.1995 12.2164 12.5398 12.5977 k = 0.4514 0.3901 0.0917 ( 3024 PWs) bands (ev): -25.3106 -25.3106 -8.1806 -8.1779 -7.1088 -7.1034 -6.9947 -6.9945 -1.5628 -1.5590 1.3851 1.3851 2.2649 2.3010 4.6680 4.7174 5.0770 5.2906 5.4149 5.5252 6.1221 6.2553 6.7917 6.8959 7.0613 7.2553 7.7269 7.8140 9.5831 9.7047 10.9999 11.0549 11.8136 11.8532 11.9955 12.0083 12.1832 12.1954 12.5477 12.6017 k = 0.4445 0.4012 0.1048 ( 3036 PWs) bands (ev): -25.3105 -25.3105 -8.1811 -8.1781 -7.1090 -7.1029 -6.9962 -6.9959 -1.5469 -1.5426 1.3920 1.3922 2.2389 2.2794 4.6678 4.7247 5.0549 5.3014 5.4175 5.5362 6.0806 6.2426 6.7626 6.8555 7.0515 7.2581 7.7681 7.8455 9.6705 9.8086 10.8480 10.9188 11.7772 11.8416 12.0176 12.0186 12.1666 12.1708 12.5373 12.5470 k = 0.4376 0.4123 0.1179 ( 3032 PWs) bands (ev): -25.3104 -25.3104 -8.1816 -8.1783 -7.1092 -7.1023 -6.9979 -6.9974 -1.5289 -1.5240 1.3976 1.3983 2.2120 2.2567 4.6680 4.7326 5.0331 5.3123 5.4217 5.5467 6.0371 6.2285 6.7339 6.8138 7.0463 7.2638 7.8070 7.8750 9.7618 9.9189 10.6942 10.7837 11.7325 11.8201 12.0291 12.0468 12.1437 12.1535 12.4842 12.5055 k = 0.4306 0.4234 0.1310 ( 3028 PWs) bands (ev): -25.3103 -25.3103 -8.1822 -8.1786 -7.1094 -7.1018 -6.9997 -6.9990 -1.5088 -1.5033 1.4012 1.4022 2.1852 2.2338 4.6686 4.7409 5.0118 5.3235 5.4271 5.5568 5.9928 6.2131 6.7053 6.7723 7.0455 7.2716 7.8437 7.9027 9.8510 10.0334 10.5392 10.6541 11.6810 11.7889 12.0377 12.0785 12.1148 12.1487 12.4140 12.4572 k = 0.4237 0.4345 0.1441 ( 3028 PWs) bands (ev): -25.3102 -25.3102 -8.1827 -8.1789 -7.1096 -7.1013 -7.0015 -7.0007 -1.4865 -1.4805 1.4014 1.4028 2.1599 2.2120 4.6697 4.7496 4.9915 5.3348 5.4338 5.5663 5.9488 6.1965 6.6765 6.7322 7.0489 7.2810 7.8783 7.9290 9.9270 10.1495 10.3839 10.5387 11.6242 11.7495 12.0364 12.0837 12.1121 12.1579 12.3403 12.3988 k = 0.4167 0.4456 0.1571 ( 3028 PWs) bands (ev): -25.3101 -25.3101 -8.1833 -8.1793 -7.1098 -7.1009 -7.0035 -7.0024 -1.4622 -1.4556 1.3970 1.3986 2.1377 2.1927 4.6712 4.7586 4.9725 5.3463 5.4416 5.5751 5.9061 6.1788 6.6472 6.6942 7.0562 7.2916 7.9110 7.9541 9.9677 10.2224 10.2708 10.4567 11.5646 11.7033 12.0237 12.0536 12.1352 12.1792 12.2751 12.3370 k = 0.4098 0.4567 0.1702 ( 3024 PWs) bands (ev): -25.3100 -25.3100 -8.1839 -8.1797 -7.1101 -7.1006 -7.0054 -7.0041 -1.4358 -1.4286 1.3866 1.3882 2.1201 2.1774 4.6731 4.7677 4.9553 5.3579 5.4502 5.5830 5.8659 6.1603 6.6172 6.6587 7.0671 7.3033 7.9421 7.9782 9.9443 10.0709 10.3782 10.4326 11.5049 11.6517 12.0031 12.0223 12.1145 12.1978 12.2575 12.2875 k = 0.4029 0.4679 0.1833 ( 3024 PWs) bands (ev): -25.3099 -25.3099 -8.1845 -8.1801 -7.1104 -7.1003 -7.0073 -7.0058 -1.4074 -1.3996 1.3689 1.3701 2.1087 2.1675 4.6755 4.7764 4.9404 5.3694 5.4596 5.5895 5.8293 6.1412 6.5866 6.6260 7.0814 7.3160 7.9720 8.0016 9.8592 9.9162 10.4587 10.4811 11.4488 11.5959 11.9750 11.9813 12.0605 12.1770 12.2893 12.2908 k = 0.3959 0.4790 0.1964 ( 3034 PWs) bands (ev): -25.3098 -25.3097 -8.1852 -8.1806 -7.1107 -7.1001 -7.0092 -7.0075 -1.3770 -1.3685 1.3431 1.3434 2.1046 2.1642 4.6784 4.7843 4.9284 5.3806 5.4695 5.5939 5.7977 6.1215 6.5554 6.5962 7.0987 7.3297 8.0009 8.0245 9.7407 9.7623 10.4998 10.5713 11.4004 11.5372 11.9120 11.9345 12.0297 12.1432 12.3306 12.3372 k = 0.3890 0.4901 0.2095 ( 3036 PWs) bands (ev): -25.3096 -25.3096 -8.1858 -8.1812 -7.1111 -7.1001 -7.0110 -7.0091 -1.3446 -1.3355 1.3077 1.3087 2.1084 2.1680 4.6817 4.7905 4.9201 5.3912 5.4799 5.5950 5.7727 6.1017 6.5236 6.5694 7.1189 7.3443 8.0289 8.0471 9.6076 9.6097 10.5301 10.6436 11.3632 11.4773 11.8245 11.8763 12.0266 12.1325 12.3809 12.3917 k = 0.3820 0.5012 0.2226 ( 3040 PWs) bands (ev): -25.3095 -25.3095 -8.1864 -8.1818 -7.1115 -7.1001 -7.0128 -7.0106 -1.3102 -1.3005 1.2635 1.2660 2.1198 2.1790 4.6854 4.7943 4.9164 5.4007 5.4904 5.5919 5.7560 6.0820 6.4915 6.5456 7.1416 7.3601 8.0564 8.0695 9.4587 9.4679 10.5365 10.6929 11.3374 11.4184 11.7325 11.8033 12.0453 12.1510 12.4366 12.4506 k = 0.3751 0.5123 0.2357 ( 3038 PWs) bands (ev): -25.3094 -25.3093 -8.1870 -8.1824 -7.1119 -7.1003 -7.0143 -7.0120 -1.2740 -1.2637 1.2114 1.2155 2.1384 2.1968 4.6895 4.7951 4.9176 5.4085 5.5009 5.5845 5.7481 6.0628 6.4591 6.5247 7.1668 7.3770 8.0835 8.0919 9.3095 9.3255 10.5155 10.7160 11.3182 11.3627 11.6416 11.7219 12.0861 12.1952 12.4965 12.5129 k = 0.3682 0.5234 0.2488 ( 3042 PWs) bands (ev): -25.3092 -25.3092 -8.1877 -8.1830 -7.1124 -7.1006 -7.0158 -7.0132 -1.2359 -1.2251 1.1526 1.1581 2.1633 2.2207 4.6939 4.7932 4.9236 5.4139 5.5111 5.5747 5.7482 6.0443 6.4267 6.5065 7.1943 7.3951 8.1104 8.1144 9.1627 9.1821 10.4702 10.7118 11.2963 11.3119 11.5568 11.6369 12.1487 12.2604 12.5601 12.5781 k = 0.3612 0.5345 0.2619 ( 3042 PWs) bands (ev): -25.3091 -25.3091 -8.1882 -8.1836 -7.1129 -7.1011 -7.0171 -7.0144 -1.1962 -1.1847 1.0881 1.0949 2.1935 2.2498 4.6987 4.7894 4.9335 5.4156 5.5207 5.5653 5.7542 6.0271 6.3943 6.4910 7.2240 7.4145 8.1371 8.1372 9.0184 9.0389 10.4065 10.6824 11.2607 11.2658 11.4849 11.5515 12.2303 12.3407 12.6269 12.6459 k = 0.3543 0.5456 0.2750 ( 3034 PWs) bands (ev): -25.3090 -25.3089 -8.1888 -8.1843 -7.1135 -7.1017 -7.0182 -7.0154 -1.1548 -1.1428 1.0191 1.0270 2.2283 2.2834 4.7037 4.7844 4.9463 5.4129 5.5293 5.5587 5.7644 6.0115 6.3623 6.4781 7.2558 7.4353 8.1601 8.1641 8.8770 8.8966 10.3299 10.6321 11.2038 11.2222 11.4316 11.4689 12.3261 12.4301 12.6965 12.7158 k = 0.3474 0.5567 0.2881 ( 3034 PWs) bands (ev): -25.3088 -25.3088 -8.1893 -8.1850 -7.1140 -7.1024 -7.0191 -7.0163 -1.1119 -1.0994 0.9466 0.9553 2.2667 2.3205 4.7090 4.7792 4.9612 5.4057 5.5368 5.5562 5.7776 5.9980 6.3308 6.4676 7.2896 7.4576 8.1834 8.1911 8.7388 8.7558 10.2447 10.5658 11.1279 11.1766 11.3931 11.3949 12.4302 12.5221 12.7681 12.7873 k = 0.3404 0.5678 0.3012 ( 3038 PWs) bands (ev): -25.3087 -25.3087 -8.1898 -8.1856 -7.1146 -7.1032 -7.0198 -7.0170 -1.0676 -1.0547 0.8716 0.8808 2.3080 2.3605 4.7145 4.7740 4.9777 5.3948 5.5427 5.5574 5.7929 5.9869 6.2999 6.4594 7.3253 7.4814 8.2070 8.2183 8.6045 8.6171 10.1538 10.4883 11.0408 11.1230 11.3292 11.3679 12.5372 12.6114 12.8398 12.8597 k = 0.3335 0.5789 0.3143 ( 3038 PWs) bands (ev): -25.3086 -25.3086 -8.1903 -8.1863 -7.1151 -7.1041 -7.0204 -7.0176 -1.0223 -1.0090 0.7950 0.8044 2.3515 2.4026 4.7202 4.7694 4.9953 5.3814 5.5468 5.5616 5.8096 5.9786 6.2700 6.4534 7.3629 7.5067 8.2304 8.2459 8.4748 8.4807 10.0593 10.4031 10.9483 11.0577 11.2806 11.3460 12.6423 12.6942 12.9098 12.9323 k = 0.3265 0.5900 0.3274 ( 3030 PWs) bands (ev): -25.3085 -25.3085 -8.1906 -8.1869 -7.1155 -7.1051 -7.0208 -7.0181 -0.9761 -0.9625 0.7177 0.7270 2.3968 2.4462 4.7259 4.7654 5.0138 5.3667 5.5489 5.5676 5.8274 5.9733 6.2411 6.4496 7.4024 7.5335 8.2500 8.2737 8.3472 8.3538 9.9624 10.3127 10.8535 10.9818 11.2459 11.3273 12.7421 12.7685 12.9775 13.0044 k = 0.3196 0.6011 0.3405 ( 3032 PWs) bands (ev): -25.3084 -25.3084 -8.1910 -8.1875 -7.1160 -7.1061 -7.0210 -7.0185 -0.9295 -0.9157 0.6405 0.6495 2.4432 2.4907 4.7318 4.7622 5.0331 5.3515 5.5490 5.5747 5.8458 5.9712 6.2136 6.4478 7.4436 7.5619 8.2094 8.2167 8.2984 8.3022 9.8644 10.2189 10.7581 10.8991 11.2213 11.3109 12.8339 12.8341 13.0442 13.0753 k = 0.3127 0.6122 0.3536 ( 3044 PWs) bands (ev): -25.3083 -25.3083 -8.1912 -8.1880 -7.1163 -7.1070 -7.0211 -7.0188 -0.8829 -0.8692 0.5645 0.5728 2.4902 2.5355 4.7378 4.7598 5.0531 5.3362 5.5471 5.5824 5.8645 5.9721 6.1876 6.4480 7.4867 7.5915 8.0904 8.0998 8.3177 8.3307 9.7658 10.1231 10.6629 10.8130 11.2037 11.2967 12.8911 12.9167 13.1108 13.1440 k = 0.3057 0.6233 0.3667 ( 3037 PWs) bands (ev): -25.3082 -25.3082 -8.1915 -8.1886 -7.1165 -7.1080 -7.0211 -7.0190 -0.8371 -0.8237 0.4908 0.4980 2.5374 2.5802 4.7437 4.7582 5.0739 5.3211 5.5435 5.5906 5.8831 5.9758 6.1634 6.4502 7.5314 7.6217 7.9689 7.9896 8.3439 8.3596 9.6673 10.0261 10.5684 10.7253 11.1913 11.2848 12.9404 12.9899 13.1770 13.2082 k = 0.2988 0.6344 0.3798 ( 3037 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1890 -7.1167 -7.1089 -7.0210 -7.0191 -0.7931 -0.7803 0.4207 0.4265 2.5842 2.6241 4.7497 4.7573 5.0955 5.3063 5.5383 5.5990 5.9011 5.9822 6.1412 6.4542 7.5779 7.6499 7.8552 7.8845 8.3717 8.3886 9.5693 9.9287 10.4751 10.6373 11.1831 11.2752 12.9826 13.0539 13.2388 13.2629 k = 0.2988 0.6344 0.3798 ( 3037 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1890 -7.1167 -7.1089 -7.0210 -7.0191 -0.7931 -0.7803 0.4207 0.4265 2.5842 2.6241 4.7497 4.7573 5.0955 5.3063 5.5383 5.5990 5.9011 5.9822 6.1412 6.4542 7.5779 7.6499 7.8552 7.8845 8.3717 8.3886 9.5693 9.9287 10.4751 10.6373 11.1831 11.2752 12.9826 13.0539 13.2388 13.2629 k = 0.2812 0.6299 0.3852 ( 3036 PWs) bands (ev): -25.3081 -25.3081 -8.1916 -8.1892 -7.1167 -7.1093 -7.0209 -7.0192 -0.7763 -0.7638 0.3934 0.3985 2.6042 2.6427 4.7522 4.7573 5.1049 5.3009 5.5356 5.6023 5.9073 5.9850 6.1343 6.4571 7.5983 7.6592 7.8074 7.8382 8.3853 8.4025 9.5338 9.8911 10.4368 10.6002 11.1812 11.2720 12.9639 13.0506 13.2273 13.2534 k = 0.2636 0.6253 0.3906 ( 3041 PWs) bands (ev): -25.3081 -25.3080 -8.1916 -8.1894 -7.1166 -7.1096 -7.0208 -7.0191 -0.7612 -0.7492 0.3675 0.3720 2.6256 2.6626 4.7548 4.7577 5.1152 5.2969 5.5326 5.6052 5.9114 5.9874 6.1310 6.4616 7.6198 7.6593 7.7608 7.7850 8.4021 8.4197 9.5078 9.8589 10.3988 10.5621 11.1806 11.2694 12.9012 13.0028 13.1727 13.2043 k = 0.2461 0.6207 0.3960 ( 3041 PWs) bands (ev): -25.3080 -25.3080 -8.1916 -8.1895 -7.1165 -7.1099 -7.0206 -7.0191 -0.7478 -0.7363 0.3431 0.3470 2.6482 2.6834 4.7572 4.7584 5.1264 5.2946 5.5292 5.6073 5.9137 5.9891 6.1309 6.4675 7.6262 7.6396 7.7292 7.7412 8.4214 8.4395 9.4904 9.8318 10.3615 10.5235 11.1817 11.2678 12.8210 12.9305 13.1045 13.1405 k = 0.2285 0.6161 0.4014 ( 3044 PWs) bands (ev): -25.3080 -25.3080 -8.1915 -8.1896 -7.1164 -7.1102 -7.0204 -7.0190 -0.7360 -0.7250 0.3201 0.3235 2.6715 2.7048 4.7592 4.7597 5.1388 5.2941 5.5257 5.6087 5.9149 5.9904 6.1333 6.4744 7.5605 7.6349 7.6946 7.7496 8.4426 8.4612 9.4806 9.8092 10.3253 10.4846 11.1845 11.2673 12.7337 12.8463 13.0338 13.0729 k = 0.2109 0.6115 0.4069 ( 3047 PWs) bands (ev): -25.3080 -25.3080 -8.1915 -8.1897 -7.1162 -7.1105 -7.0202 -7.0189 -0.7255 -0.7152 0.2986 0.3015 2.6953 2.7266 4.7603 4.7618 5.1525 5.2954 5.5222 5.6091 5.9157 5.9911 6.1376 6.4820 7.4823 7.5794 7.7088 7.7676 8.4651 8.4842 9.4773 9.7906 10.2905 10.4459 11.1892 11.2680 12.6438 12.7565 12.9652 13.0063 k = 0.1933 0.6069 0.4123 ( 3047 PWs) bands (ev): -25.3080 -25.3079 -8.1914 -8.1897 -7.1161 -7.1107 -7.0199 -7.0187 -0.7164 -0.7068 0.2786 0.2811 2.7192 2.7483 4.7614 4.7637 5.1676 5.2984 5.5187 5.6085 5.9169 5.9914 6.1431 6.4898 7.3995 7.5122 7.7338 7.7891 8.4883 8.5076 9.4795 9.7750 10.2575 10.4078 11.1959 11.2700 12.5537 12.6648 12.9008 12.9427 k = 0.1758 0.6023 0.4177 ( 3048 PWs) bands (ev): -25.3080 -25.3079 -8.1913 -8.1898 -7.1159 -7.1110 -7.0197 -7.0186 -0.7085 -0.6996 0.2602 0.2623 2.7428 2.7696 4.7625 4.7653 5.1839 5.3031 5.5154 5.6067 5.9190 5.9913 6.1496 6.4973 7.3156 7.4430 7.7607 7.8118 8.5117 8.5310 9.4860 9.7619 10.2268 10.3706 11.2045 11.2733 12.4654 12.5734 12.8416 12.8831 k = 0.1582 0.5977 0.4231 ( 3046 PWs) bands (ev): -25.3079 -25.3079 -8.1912 -8.1899 -7.1157 -7.1112 -7.0194 -7.0184 -0.7016 -0.6935 0.2433 0.2451 2.7657 2.7901 4.7635 4.7665 5.2016 5.3091 5.5123 5.6037 5.9225 5.9910 6.1567 6.5038 7.2330 7.3741 7.7879 7.8349 8.5348 8.5538 9.4962 9.7504 10.1987 10.3347 11.2149 11.2779 12.3805 12.4841 12.7881 12.8282 k = 0.1406 0.5931 0.4285 ( 3048 PWs) bands (ev): -25.3079 -25.3079 -8.1911 -8.1899 -7.1154 -7.1115 -7.0191 -7.0183 -0.6957 -0.6884 0.2281 0.2296 2.7876 2.8094 4.7645 4.7675 5.2203 5.3161 5.5097 5.5994 5.9278 5.9906 6.1646 6.5083 7.1541 7.3069 7.8147 7.8575 8.5572 8.5755 9.5091 9.7399 10.1737 10.3004 11.2270 11.2836 12.3003 12.3983 12.7404 12.7782 k = 0.1230 0.5885 0.4339 ( 3048 PWs) bands (ev): -25.3079 -25.3079 -8.1910 -8.1900 -7.1152 -7.1117 -7.0189 -7.0181 -0.6907 -0.6842 0.2145 0.2158 2.8080 2.8273 4.7653 4.7682 5.2398 5.3236 5.5076 5.5937 5.9346 5.9901 6.1735 6.5094 7.0816 7.2424 7.8405 7.8790 8.5783 8.5955 9.5241 9.7299 10.1521 10.2681 11.2404 11.2902 12.2262 12.3173 12.6987 12.7334 k = 0.1055 0.5839 0.4394 ( 3046 PWs) bands (ev): -25.3079 -25.3079 -8.1909 -8.1900 -7.1150 -7.1119 -7.0186 -7.0180 -0.6864 -0.6809 0.2027 0.2037 2.8267 2.8433 4.7660 4.7687 5.2596 5.3313 5.5061 5.5867 5.9429 5.9897 6.1843 6.5054 7.0181 7.1816 7.8647 7.8986 8.5978 8.6135 9.5405 9.7197 10.1343 10.2381 11.2548 11.2973 12.1594 12.2422 12.6629 12.6939 k = 0.0879 0.5793 0.4448 ( 3044 PWs) bands (ev): -25.3079 -25.3079 -8.1908 -8.1901 -7.1147 -7.1122 -7.0184 -7.0179 -0.6829 -0.6782 0.1926 0.1934 2.8433 2.8572 4.7666 4.7690 5.2792 5.3385 5.5057 5.5783 5.9520 5.9894 6.1977 6.4942 6.9669 7.1250 7.8869 7.9158 8.6152 8.6291 9.5578 9.7090 10.1206 10.2106 11.2695 11.3046 12.1013 12.1741 12.6332 12.6598 k = 0.0703 0.5747 0.4502 ( 3042 PWs) bands (ev): -25.3079 -25.3079 -8.1907 -8.1901 -7.1145 -7.1124 -7.0182 -7.0178 -0.6800 -0.6763 0.1843 0.1849 2.8576 2.8687 4.7671 4.7691 5.2979 5.3447 5.5064 5.5688 5.9611 5.9891 6.2148 6.4743 6.9304 7.0734 7.9065 7.9302 8.6304 8.6419 9.5754 9.6977 10.1113 10.1858 11.2840 11.3115 12.0530 12.1142 12.6095 12.6313 k = 0.0527 0.5701 0.4556 ( 3046 PWs) bands (ev): -25.3079 -25.3079 -8.1906 -8.1902 -7.1142 -7.1127 -7.0180 -7.0177 -0.6777 -0.6749 0.1778 0.1783 2.8692 2.8776 4.7675 4.7690 5.3148 5.3493 5.5088 5.5585 5.9694 5.9887 6.2367 6.4458 6.9098 7.0274 7.9230 7.9411 8.6428 8.6518 9.5931 9.6854 10.1064 10.1639 11.2972 11.3174 12.0158 12.0637 12.5917 12.6084 k = 0.0352 0.5655 0.4610 ( 3043 PWs) bands (ev): -25.3079 -25.3079 -8.1905 -8.1902 -7.1140 -7.1129 -7.0179 -7.0177 -0.6760 -0.6741 0.1732 0.1735 2.8781 2.8837 4.7679 4.7689 5.3291 5.3517 5.5129 5.5477 5.9762 5.9880 6.2639 6.4105 6.9039 6.9873 7.9360 7.9483 8.6524 8.6585 9.6103 9.6722 10.1059 10.1451 11.3084 11.3216 11.9908 12.0238 12.5799 12.5911 k = 0.0176 0.5610 0.4664 ( 3045 PWs) bands (ev): -25.3079 -25.3079 -8.1904 -8.1903 -7.1137 -7.1132 -7.0178 -7.0177 -0.6748 -0.6738 0.1704 0.1706 2.8840 2.8868 4.7682 4.7687 5.3402 5.3513 5.5192 5.5371 5.9813 5.9869 6.2962 6.3717 6.9107 6.9539 7.9452 7.9514 8.6588 8.6619 9.6270 9.6581 10.1098 10.1297 11.3168 11.3233 11.9789 11.9958 12.5739 12.5796 k = 0.0000 0.5564 0.4718 ( 3038 PWs) bands (ev): -25.3079 -25.3079 -8.1904 -8.1904 -7.1134 -7.1134 -7.0177 -7.0177 -0.6740 -0.6740 0.1695 0.1695 2.8869 2.8869 4.7685 4.7685 5.3476 5.3476 5.5274 5.5274 5.9848 5.9848 6.3328 6.3328 6.9280 6.9280 7.9504 7.9504 8.6620 8.6620 9.6430 9.6430 10.1178 10.1178 11.3218 11.3218 11.9806 11.9806 12.5739 12.5739 k = 0.0000 0.5564 0.4718 ( 3038 PWs) bands (ev): -25.3079 -25.3079 -8.1904 -8.1904 -7.1134 -7.1134 -7.0177 -7.0177 -0.6740 -0.6740 0.1695 0.1695 2.8869 2.8869 4.7685 4.7685 5.3476 5.3476 5.5274 5.5274 5.9848 5.9848 6.3328 6.3328 6.9280 6.9280 7.9504 7.9504 8.6620 8.6620 9.6430 9.6430 10.1178 10.1178 11.3218 11.3218 11.9806 11.9806 12.5739 12.5739 k = 0.0069 0.5452 0.4850 ( 3042 PWs) bands (ev): -25.3079 -25.3079 -8.1906 -8.1902 -7.1135 -7.1133 -7.0182 -7.0175 -0.6731 -0.6727 0.1701 0.1712 2.8831 2.8865 4.7613 4.7758 5.3381 5.3554 5.5246 5.5264 5.9798 5.9871 6.3062 6.3602 6.9277 6.9290 7.9277 7.9548 8.6685 8.6804 9.5996 9.6680 10.0879 10.1500 11.3206 11.3410 11.9599 11.9997 12.5642 12.5983 k = 0.0139 0.5341 0.4981 ( 3038 PWs) bands (ev): -25.3078 -25.3078 -8.1909 -8.1900 -7.1134 -7.1131 -7.0189 -7.0175 -0.6698 -0.6691 0.1729 0.1750 2.8750 2.8819 4.7542 4.7834 5.3274 5.3608 5.5167 5.5234 5.9728 5.9863 6.2817 6.3875 6.9279 6.9306 7.8907 7.9408 8.6999 8.7178 9.5449 9.6694 10.0654 10.1794 11.3384 11.3767 11.9393 12.0161 12.5706 12.6354 k = 0.0208 0.5230 0.5112 ( 3038 PWs) bands (ev): -25.3078 -25.3078 -8.1912 -8.1899 -7.1131 -7.1127 -7.0199 -7.0178 -0.6642 -0.6632 0.1779 0.1811 2.8627 2.8729 4.7470 4.7913 5.3159 5.3628 5.5021 5.5203 5.9633 5.9832 6.2607 6.4137 6.9284 6.9328 7.8452 7.9123 8.7509 8.7653 9.4867 9.6468 10.0527 10.2030 11.3750 11.4262 11.9210 12.0298 12.5934 12.6830 k = 0.0278 0.5119 0.5243 ( 3042 PWs) bands (ev): -25.3078 -25.3078 -8.1915 -8.1898 -7.1128 -7.1123 -7.0211 -7.0184 -0.6563 -0.6550 0.1851 0.1893 2.8461 2.8596 4.7394 4.7992 5.3040 5.3606 5.4799 5.5190 5.9497 5.9804 6.2437 6.4385 6.9290 6.9356 7.7958 7.8748 8.8056 8.8191 9.4338 9.6062 10.0484 10.2200 11.4287 11.4865 11.9069 12.0429 12.6313 12.7392 k = 0.0347 0.5008 0.5374 ( 3044 PWs) bands (ev): -25.3077 -25.3077 -8.1918 -8.1898 -7.1124 -7.1118 -7.0226 -7.0193 -0.6461 -0.6445 0.1944 0.1997 2.8254 2.8419 4.7310 4.8073 5.2917 5.3539 5.4496 5.5207 5.9309 5.9804 6.2310 6.4615 6.9292 6.9390 7.7460 7.8327 8.8354 8.8850 9.3961 9.5571 10.0504 10.2318 11.4964 11.5536 11.8992 12.0582 12.6824 12.8024 k = 0.0417 0.4897 0.5505 ( 3046 PWs) bands (ev): -25.3077 -25.3077 -8.1922 -8.1898 -7.1119 -7.1111 -7.0242 -7.0203 -0.6337 -0.6318 0.2059 0.2122 2.8004 2.8198 4.7214 4.8151 5.2795 5.3431 5.4116 5.5258 5.9077 5.9840 6.2219 6.4827 6.9287 6.9429 7.6979 7.7892 8.8350 8.9461 9.3793 9.5116 10.0594 10.2416 11.5731 11.6225 11.9011 12.0799 12.7444 12.8713 k = 0.0486 0.4785 0.5636 ( 3046 PWs) bands (ev): -25.3076 -25.3076 -8.1926 -8.1898 -7.1113 -7.1104 -7.0261 -7.0216 -0.6189 -0.6167 0.2195 0.2268 2.7712 2.7932 4.7101 4.8224 5.2673 5.3296 5.3667 5.5340 5.8817 5.9910 6.2155 6.5022 6.9269 6.9471 7.6528 7.7463 8.8025 8.9890 9.3742 9.4858 10.0795 10.2545 11.6512 11.6870 11.9187 12.1121 12.8152 12.9450 k = 0.0556 0.4674 0.5767 ( 3044 PWs) bands (ev): -25.3075 -25.3075 -8.1931 -8.1899 -7.1106 -7.1095 -7.0282 -7.0232 -0.6018 -0.5994 0.2351 0.2435 2.7377 2.7622 4.6964 4.8288 5.2554 5.3127 5.3182 5.5447 5.8544 6.0011 6.2111 6.5201 6.9233 6.9517 7.6114 7.7052 8.7456 9.0016 9.3657 9.4885 10.1169 10.2768 11.7187 11.7419 11.9617 12.1588 12.8934 13.0227 k = 0.0625 0.4563 0.5898 ( 3044 PWs) bands (ev): -25.3074 -25.3074 -8.1935 -8.1900 -7.1098 -7.1086 -7.0305 -7.0249 -0.5825 -0.5799 0.2527 0.2621 2.7001 2.7267 4.6798 4.8338 5.2437 5.2606 5.3011 5.5575 5.8272 6.0138 6.2080 6.5367 6.9177 6.9565 7.5741 7.6665 8.6743 8.9801 9.3557 9.5017 10.1773 10.3153 11.7619 11.7898 12.0352 12.2214 12.9776 13.1040 k = 0.0694 0.4452 0.6029 ( 3042 PWs) bands (ev): -25.3073 -25.3073 -8.1940 -8.1902 -7.1089 -7.1076 -7.0329 -7.0269 -0.5609 -0.5580 0.2723 0.2827 2.6583 2.6868 4.6595 4.8366 5.2026 5.2328 5.2890 5.5718 5.8009 6.0289 6.2057 6.5520 6.9096 6.9614 7.5409 7.6308 8.5956 8.9322 9.3424 9.5067 10.2628 10.3754 11.7861 11.8304 12.1320 12.2980 13.0665 13.1886 k = 0.0764 0.4341 0.6160 ( 3036 PWs) bands (ev): -25.3072 -25.3072 -8.1945 -8.1904 -7.1079 -7.1065 -7.0354 -7.0290 -0.5370 -0.5340 0.2937 0.3051 2.6125 2.6425 4.6350 4.8360 5.1445 5.2215 5.2804 5.5873 5.7763 6.0460 6.2040 6.5663 6.8987 6.9664 7.5118 7.5981 8.5139 8.8690 9.3198 9.4966 10.3710 10.4587 11.8027 11.8627 12.2413 12.3845 13.1582 13.2764 k = 0.0833 0.4230 0.6291 ( 3036 PWs) bands (ev): -25.3071 -25.3071 -8.1950 -8.1907 -7.1069 -7.1054 -7.0381 -7.0313 -0.5109 -0.5077 0.3169 0.3292 2.5628 2.5939 4.6061 4.8300 5.0886 5.2100 5.2766 5.6036 5.7539 6.0649 6.2025 6.5798 6.8851 6.9713 7.4864 7.5688 8.4319 8.7980 9.2855 9.4711 10.4975 10.5636 11.8166 11.8892 12.3558 12.4765 13.2450 13.3673 k = 0.0903 0.4118 0.6422 ( 3036 PWs) bands (ev): -25.3070 -25.3070 -8.1955 -8.1910 -7.1058 -7.1042 -7.0408 -7.0337 -0.4825 -0.4792 0.3418 0.3551 2.5092 2.5413 4.5728 4.8151 5.0393 5.1983 5.2777 5.6204 5.7343 6.0853 6.2014 6.5926 6.8686 6.9761 7.4643 7.5430 8.3515 8.7237 9.2405 9.4323 10.6374 10.6862 11.8291 11.9120 12.4706 12.5703 13.2801 13.3525 k = 0.0972 0.4007 0.6553 ( 3036 PWs) bands (ev): -25.3069 -25.3069 -8.1960 -8.1913 -7.1047 -7.1030 -7.0436 -7.0362 -0.4519 -0.4485 0.3682 0.3825 2.4521 2.4848 4.5352 4.7873 5.0014 5.1868 5.2836 5.6366 5.7184 6.1070 6.2006 6.6047 6.8495 6.9806 7.4450 7.5209 8.2736 8.6485 9.1870 9.3831 10.7870 10.8222 11.8407 11.9323 12.5813 12.6631 13.2476 13.3085 k = 0.1042 0.3896 0.6685 ( 3036 PWs) bands (ev): -25.3068 -25.3068 -8.1965 -8.1917 -7.1035 -7.1017 -7.0465 -7.0389 -0.4191 -0.4156 0.3961 0.4113 2.3915 2.4245 4.4939 4.7447 4.9773 5.1757 5.2936 5.6497 5.7089 6.1299 6.2001 6.6163 6.8279 6.9848 7.4277 7.5026 8.1992 8.5737 9.1271 9.3260 10.9430 10.9676 11.8514 11.9507 12.6826 12.7527 13.2072 13.2724 k = 0.1111 0.3785 0.6816 ( 3034 PWs) bands (ev): -25.3066 -25.3066 -8.1970 -8.1921 -7.1023 -7.1005 -7.0494 -7.0416 -0.3840 -0.3805 0.4253 0.4414 2.3277 2.3608 4.4493 4.6905 4.9646 5.1651 5.3073 5.6547 5.7105 6.1535 6.2004 6.6275 6.8043 6.9885 7.4122 7.4882 8.1288 8.5004 9.0623 9.2629 11.1024 11.1188 11.8612 11.9675 12.7668 12.8370 13.1756 13.2516 k = 0.1181 0.3674 0.6947 ( 3034 PWs) bands (ev): -25.3065 -25.3065 -8.1975 -8.1926 -7.1011 -7.0991 -7.0523 -7.0444 -0.3469 -0.3432 0.4558 0.4727 2.2610 2.2940 4.4021 4.6292 4.9591 5.1552 5.3237 5.6512 5.7236 6.1762 6.2029 6.6381 6.7790 6.9916 7.3980 7.4775 8.0629 8.4290 8.9941 9.1953 11.2619 11.2723 11.8712 11.9835 12.8267 12.9092 13.1638 13.2531 k = 0.1250 0.3563 0.7078 ( 3042 PWs) bands (ev): -25.3064 -25.3064 -8.1980 -8.1931 -7.0999 -7.0978 -7.0551 -7.0472 -0.3075 -0.3038 0.4872 0.5050 2.1916 2.2243 4.3530 4.5641 4.9579 5.1460 5.3424 5.6444 5.7426 6.1908 6.2150 6.6482 6.7527 6.9937 7.3853 7.4703 8.0019 8.3600 8.9234 9.1245 11.4154 11.4234 11.8844 12.0008 12.8609 12.9572 13.1842 13.2810 k = 0.1319 0.3452 0.7209 ( 3034 PWs) bands (ev): -25.3062 -25.3062 -8.1985 -8.1936 -7.0987 -7.0965 -7.0579 -7.0500 -0.2661 -0.2623 0.5194 0.5381 2.1199 2.1521 4.3024 4.4973 4.9594 5.1376 5.3627 5.6374 5.7643 6.1950 6.2387 6.6574 6.7260 6.9947 7.3743 7.4660 7.9459 8.2937 8.8510 9.0512 11.5510 11.5642 11.9105 12.0256 12.8766 12.9801 13.2369 13.3317 k = 0.1389 0.3340 0.7340 ( 3032 PWs) bands (ev): -25.3061 -25.3061 -8.1990 -8.1941 -7.0974 -7.0952 -7.0607 -7.0528 -0.2225 -0.2187 0.5523 0.5718 2.0462 2.0777 4.2511 4.4301 4.9625 5.1299 5.3840 5.6313 5.7874 6.1971 6.2657 6.6643 6.7011 6.9942 7.3654 7.4642 7.8951 8.2303 8.7776 8.9761 11.6475 11.6779 11.9701 12.0714 12.8848 12.9925 13.3067 13.3970 k = 0.1458 0.3229 0.7471 ( 3032 PWs) bands (ev): -25.3060 -25.3060 -8.1995 -8.1946 -7.0962 -7.0939 -7.0634 -7.0556 -0.1769 -0.1731 0.5855 0.6058 1.9707 2.0015 4.1995 4.3632 4.9667 5.1229 5.4058 5.6262 5.8113 6.1990 6.2937 6.6592 6.6881 6.9920 7.3591 7.4646 7.8496 8.1699 8.7037 8.8999 11.6906 11.7461 12.0765 12.1555 12.8937 13.0056 13.3828 13.4693 k = 0.1528 0.3118 0.7602 ( 3036 PWs) bands (ev): -25.3058 -25.3058 -8.1999 -8.1952 -7.0950 -7.0927 -7.0659 -7.0584 -0.1293 -0.1254 0.6190 0.6400 1.8938 1.9237 4.1481 4.2973 4.9718 5.1165 5.4277 5.6223 5.8357 6.2013 6.3220 6.6377 6.6921 6.9876 7.3558 7.4669 7.8094 8.1128 8.6298 8.8229 11.6967 11.7694 12.2120 12.2761 12.9081 13.0239 13.4608 13.5442 k = 0.1597 0.3007 0.7733 ( 3034 PWs) bands (ev): -25.3057 -25.3057 -8.2003 -8.1958 -7.0939 -7.0915 -7.0684 -7.0611 -0.0797 -0.0757 0.6523 0.6740 1.8157 1.8448 4.0975 4.2329 4.9775 5.1107 5.4494 5.6193 5.8602 6.2039 6.3502 6.6141 6.6995 6.9808 7.3560 7.4710 7.7743 8.0589 8.5563 8.7456 11.6848 11.7645 12.3570 12.4160 12.9294 13.0487 13.5397 13.6197 k = 0.1667 0.2896 0.7864 ( 3032 PWs) bands (ev): -25.3056 -25.3056 -8.2007 -8.1964 -7.0927 -7.0903 -7.0707 -7.0636 -0.0283 -0.0242 0.6852 0.7075 1.7369 1.7650 4.0481 4.1705 4.9837 5.1055 5.4703 5.6172 5.8845 6.2068 6.3777 6.5923 6.7072 6.9714 7.3601 7.4766 7.7443 8.0084 8.4835 8.6683 11.6640 11.7445 12.5019 12.5617 12.9580 13.0801 13.6193 13.6949 k = 0.1736 0.2785 0.7995 ( 3030 PWs) bands (ev): -25.3055 -25.3055 -8.2011 -8.1969 -7.0917 -7.0892 -7.0728 -7.0661 0.0250 0.0293 0.7173 0.7403 1.6576 1.6848 4.0004 4.1104 4.9902 5.1007 5.4903 5.6158 5.9082 6.2096 6.4037 6.5741 6.7148 6.9594 7.3682 7.4838 7.7192 7.9612 8.4119 8.5913 11.6387 11.7164 12.6415 12.7054 12.9931 13.1173 13.6997 13.7696 k = 0.1806 0.2673 0.8126 ( 3022 PWs) bands (ev): -25.3054 -25.3054 -8.2014 -8.1975 -7.0907 -7.0882 -7.0748 -7.0685 0.0801 0.0845 0.7484 0.7720 1.5782 1.6044 3.9550 4.0532 4.9969 5.0963 5.5091 5.6151 5.9312 6.2118 6.4273 6.5610 6.7220 6.9448 7.3806 7.4926 7.6987 7.9174 8.3418 8.5149 11.6114 11.6842 12.7725 12.8427 13.0337 13.1593 13.7811 13.8441 k = 0.1875 0.2562 0.8257 ( 3026 PWs) bands (ev): -25.3053 -25.3053 -8.2016 -8.1981 -7.0897 -7.0872 -7.0765 -7.0707 0.1368 0.1413 0.7780 0.8021 1.4989 1.5242 3.9122 3.9992 5.0037 5.0922 5.5265 5.6148 5.9531 6.2126 6.4478 6.5547 6.7287 6.9277 7.3971 7.5032 7.6826 7.8770 8.2736 8.4395 11.5837 11.6503 12.8924 12.9700 13.0788 13.2049 13.8636 13.9183 k = 0.1944 0.2451 0.8388 ( 3028 PWs) bands (ev): -25.3052 -25.3052 -8.2019 -8.1986 -7.0889 -7.0864 -7.0781 -7.0727 0.1949 0.1996 0.8057 0.8303 1.4202 1.4446 3.8727 3.9489 5.0105 5.0884 5.5423 5.6149 5.9739 6.2112 6.4649 6.5559 6.7348 6.9086 7.4177 7.5156 7.6706 7.8400 8.2076 8.3653 11.5568 11.6165 12.9995 13.0838 13.1282 13.2526 13.9465 13.9922 k = 0.2014 0.2340 0.8520 ( 3038 PWs) bands (ev): -25.3051 -25.3051 -8.2020 -8.1991 -7.0881 -7.0856 -7.0795 -7.0746 0.2543 0.2592 0.8312 0.8561 1.3426 1.3662 3.8368 3.9027 5.0173 5.0847 5.5565 5.6151 5.9936 6.2069 6.4798 6.5636 6.7404 6.8877 7.4420 7.5299 7.6626 7.8062 8.1444 8.2928 11.5318 11.5842 13.0930 13.1682 13.1947 13.3006 14.0285 14.0650 k = 0.2083 0.2229 0.8651 ( 3040 PWs) bands (ev): -25.3051 -25.3051 -8.2022 -8.1996 -7.0873 -7.0850 -7.0806 -7.0763 0.3146 0.3196 0.8538 0.8790 1.2666 1.2894 3.8052 3.8610 5.0239 5.0811 5.5690 5.6154 6.0122 6.1994 6.4950 6.5748 6.7453 6.8656 7.4695 7.5463 7.6585 7.7757 8.0845 8.2222 11.5092 11.5541 13.1726 13.2214 13.2778 13.3474 14.1075 14.1354 k = 0.2153 0.2118 0.8782 ( 3044 PWs) bands (ev): -25.3050 -25.3050 -8.2022 -8.2001 -7.0867 -7.0846 -7.0815 -7.0779 0.3754 0.3804 0.8731 0.8983 1.1932 1.2153 3.7781 3.8242 5.0303 5.0776 5.5798 5.6156 6.0300 6.1890 6.5119 6.5869 6.7495 6.8427 7.4993 7.5646 7.6582 7.7484 8.0287 8.1541 11.4899 11.5272 13.2384 13.2702 13.3489 13.3912 14.1809 14.2010 k = 0.2222 0.2006 0.8913 ( 3048 PWs) bands (ev): -25.3050 -25.3050 -8.2022 -8.2005 -7.0862 -7.0844 -7.0820 -7.0792 0.4357 0.4405 0.8881 0.9129 1.1242 1.1453 3.7561 3.7928 5.0365 5.0740 5.5889 5.6156 6.0471 6.1762 6.5310 6.5978 6.7530 6.8198 7.5302 7.5847 7.6619 7.7243 7.9782 8.0893 11.4741 11.5038 13.2911 13.3148 13.4057 13.4308 14.2456 14.2594 k = 0.2292 0.1895 0.9044 ( 3046 PWs) bands (ev): -25.3049 -25.3049 -8.2022 -8.2009 -7.0857 -7.0844 -7.0822 -7.0802 0.4938 0.4982 0.8976 0.9205 1.0633 1.0824 3.7396 3.7669 5.0423 5.0703 5.5964 5.6152 6.0640 6.1618 6.5513 6.6060 6.7557 6.7982 7.5600 7.6054 7.6691 7.7039 7.9350 8.0287 11.4622 11.4845 13.3325 13.3516 13.4488 13.4646 14.2991 14.3078 k = 0.2361 0.1784 0.9175 ( 3044 PWs) bands (ev): -25.3049 -25.3049 -8.2021 -8.2012 -7.0853 -7.0845 -7.0822 -7.0811 0.5466 0.5500 0.8992 0.9162 1.0185 1.0321 3.7288 3.7470 5.0478 5.0663 5.6024 5.6143 6.0806 6.1463 6.5713 6.6103 6.7577 6.7794 7.5867 7.6239 7.6771 7.6895 7.9031 7.9742 11.4546 11.4694 13.3637 13.3777 13.4797 13.4902 14.3391 14.3439 k = 0.2431 0.1673 0.9306 ( 3046 PWs) bands (ev): -25.3049 -25.3049 -8.2020 -8.2015 -7.0850 -7.0847 -7.0821 -7.0816 0.5870 0.5889 0.8927 0.8994 0.9972 1.0017 3.7241 3.7331 5.0529 5.0622 5.6070 5.6128 6.0972 6.1301 6.5891 6.6094 6.7590 6.7661 7.6086 7.6325 7.6792 7.6881 7.8888 7.9287 11.4515 11.4588 13.3844 13.3919 13.4996 13.5051 14.3640 14.3661 k = 0.2500 0.1562 0.9437 ( 3044 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0848 -7.0848 -7.0820 -7.0820 0.6035 0.6035 0.8883 0.8883 0.9923 0.9923 3.7255 3.7255 5.0577 5.0577 5.6104 5.6104 6.1137 6.1137 6.6023 6.6023 6.7603 6.7603 7.6251 7.6251 7.6852 7.6852 7.8980 7.8980 11.4529 11.4529 13.3940 13.3940 13.5082 13.5082 14.3730 14.3730 k = 0.2500 0.1562 0.9437 ( 3044 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0848 -7.0848 -7.0820 -7.0820 0.6035 0.6035 0.8883 0.8883 0.9923 0.9923 3.7255 3.7255 5.0577 5.0577 5.6104 5.6104 6.1137 6.1137 6.6023 6.6023 6.7603 6.7603 7.6251 7.6251 7.6852 7.6852 7.8980 7.8980 11.4529 11.4529 13.3940 13.3940 13.5082 13.5082 14.3730 14.3730 k = 0.2632 0.1644 0.9340 ( 3038 PWs) bands (ev): -25.3049 -25.3049 -8.2019 -8.2017 -7.0848 -7.0847 -7.0821 -7.0820 0.5984 0.5997 0.8893 0.8916 0.9940 0.9946 3.7251 3.7300 5.0541 5.0595 5.6089 5.6110 6.1056 6.1212 6.5967 6.6072 6.7583 6.7631 7.6100 7.6279 7.6873 7.6894 7.8898 7.9128 11.4553 11.4591 13.3819 13.3837 13.5163 13.5207 14.3705 14.3712 k = 0.2763 0.1726 0.9243 ( 3040 PWs) bands (ev): -25.3049 -25.3049 -8.2020 -8.2015 -7.0849 -7.0846 -7.0822 -7.0818 0.5851 0.5879 0.8950 0.8990 0.9987 0.9998 3.7288 3.7387 5.0481 5.0601 5.6073 5.6096 6.0987 6.1263 6.5907 6.6110 6.7548 6.7689 7.5838 7.6216 7.6962 7.6966 7.8878 7.9345 11.4662 11.4738 13.3557 13.3570 13.5378 13.5476 14.3632 14.3643 k = 0.2895 0.1808 0.9146 ( 3046 PWs) bands (ev): -25.3049 -25.3049 -8.2021 -8.2014 -7.0849 -7.0847 -7.0822 -7.0815 0.5654 0.5701 0.9042 0.9094 1.0056 1.0070 3.7365 3.7517 5.0400 5.0595 5.6056 5.6062 6.0930 6.1287 6.5841 6.6130 6.7504 6.7774 7.5518 7.6069 7.7062 7.7095 7.8918 7.9614 11.4851 11.4963 13.3240 13.3243 13.5646 13.5790 14.3505 14.3514 k = 0.3026 0.1891 0.9049 ( 3042 PWs) bands (ev): -25.3049 -25.3049 -8.2021 -8.2012 -7.0850 -7.0849 -7.0822 -7.0811 0.5414 0.5480 0.9154 0.9217 1.0141 1.0157 3.7483 3.7689 5.0299 5.0577 5.6009 5.6038 6.0884 6.1283 6.5771 6.6127 6.7459 6.7882 7.5173 7.5865 7.7181 7.7243 7.9005 7.9922 11.5114 11.5261 13.2895 13.2905 13.5936 13.6115 14.3318 14.3320 k = 0.3158 0.1973 0.8952 ( 3042 PWs) bands (ev): -25.3049 -25.3049 -8.2022 -8.2010 -7.0851 -7.0850 -7.0821 -7.0806 0.5144 0.5229 0.9276 0.9348 1.0238 1.0255 3.7640 3.7904 5.0181 5.0548 5.5936 5.6022 6.0849 6.1250 6.5695 6.6091 6.7422 6.8009 7.4820 7.5634 7.7308 7.7408 7.9130 8.0259 11.5444 11.5622 13.2542 13.2564 13.6241 13.6443 14.3058 14.3066 k = 0.3289 0.2055 0.8855 ( 3036 PWs) bands (ev): -25.3049 -25.3049 -8.2022 -8.2009 -7.0851 -7.0851 -7.0821 -7.0802 0.4856 0.4960 0.9401 0.9480 1.0343 1.0360 3.7836 3.8159 5.0047 5.0509 5.5845 5.6006 6.0820 6.1187 6.5614 6.6019 6.7402 6.8149 7.4470 7.5398 7.7438 7.7588 7.9284 8.0616 11.5832 11.6039 13.2189 13.2224 13.6560 13.6771 14.2726 14.2750 k = 0.3421 0.2137 0.8759 ( 3034 PWs) bands (ev): -25.3049 -25.3049 -8.2023 -8.2007 -7.0853 -7.0852 -7.0820 -7.0797 0.4557 0.4679 0.9525 0.9611 1.0454 1.0470 3.8069 3.8452 4.9900 5.0461 5.5740 5.5991 6.0796 6.1094 6.5526 6.5907 6.7403 6.8298 7.4132 7.5176 7.7568 7.7783 7.9460 8.0989 11.6267 11.6499 13.1838 13.1887 13.6894 13.7102 14.2326 14.2369 k = 0.3553 0.2219 0.8662 ( 3035 PWs) bands (ev): -25.3050 -25.3050 -8.2023 -8.2005 -7.0854 -7.0853 -7.0819 -7.0793 0.4250 0.4389 0.9647 0.9739 1.0568 1.0581 3.8334 3.8781 4.9742 5.0404 5.5621 5.5978 6.0772 6.0973 6.5432 6.5759 6.7429 6.8451 7.3811 7.4980 7.7696 7.7992 7.9656 8.1373 11.6736 11.6992 13.1490 13.1552 13.7246 13.7436 14.1862 14.1930 k = 0.3684 0.2302 0.8565 ( 3033 PWs) bands (ev): -25.3050 -25.3050 -8.2023 -8.2003 -7.0854 -7.0854 -7.0817 -7.0788 0.3939 0.4093 0.9767 0.9863 1.0683 1.0694 3.8629 3.9141 4.9577 5.0340 5.5493 5.5968 6.0745 6.0826 6.5329 6.5582 6.7477 6.8601 7.3510 7.4820 7.7823 7.8215 7.9867 8.1765 11.7229 11.7504 13.1145 13.1220 13.7618 13.7774 14.1343 14.1438 k = 0.3816 0.2384 0.8468 ( 3032 PWs) bands (ev): -25.3050 -25.3050 -8.2023 -8.2001 -7.0855 -7.0854 -7.0816 -7.0784 0.3624 0.3793 0.9883 0.9985 1.0799 1.0806 3.8949 3.9530 4.9406 5.0271 5.5358 5.5960 6.0654 6.0711 6.5219 6.5386 6.7545 6.8745 7.3233 7.4704 7.7949 7.8452 8.0094 8.2163 11.7729 11.8022 13.0802 13.0889 13.8010 13.8109 14.0776 14.0904 k = 0.3947 0.2466 0.8371 ( 3026 PWs) bands (ev): -25.3050 -25.3050 -8.2023 -8.1998 -7.0857 -7.0854 -7.0814 -7.0781 0.3306 0.3489 0.9998 1.0105 1.0915 1.0918 3.9289 3.9942 4.9234 5.0198 5.5219 5.5955 6.0461 6.0664 6.5100 6.5180 6.7629 6.8878 7.2980 7.4636 7.8077 7.8703 8.0336 8.2565 11.8222 11.8531 13.0458 13.0557 13.8417 13.8427 14.0175 14.0346 k = 0.4079 0.2548 0.8274 ( 3026 PWs) bands (ev): -25.3051 -25.3051 -8.2023 -8.1996 -7.0858 -7.0853 -7.0811 -7.0777 0.2987 0.3181 1.0111 1.0224 1.1031 1.1032 3.9645 4.0373 4.9062 5.0125 5.5078 5.5952 6.0251 6.0604 6.4972 6.4974 6.7726 6.8997 7.2751 7.4614 7.8209 7.8966 8.0592 8.2970 11.8692 11.9016 13.0112 13.0221 13.8675 13.8812 13.9565 13.9806 k = 0.4211 0.2630 0.8177 ( 3034 PWs) bands (ev): -25.3051 -25.3051 -8.2023 -8.1994 -7.0860 -7.0852 -7.0808 -7.0773 0.2664 0.2869 1.0222 1.0341 1.1146 1.1151 4.0010 4.0816 4.8894 5.0055 5.4939 5.5952 6.0029 6.0526 6.4771 6.4841 6.7835 6.9100 7.2549 7.4637 7.8349 7.9240 8.0863 8.3378 11.9123 11.9460 12.9761 12.9879 13.8662 13.8793 13.9335 13.9450 k = 0.4342 0.2713 0.8080 ( 3031 PWs) bands (ev): -25.3052 -25.3052 -8.2022 -8.1991 -7.0862 -7.0851 -7.0805 -7.0770 0.2339 0.2553 1.0332 1.0458 1.1263 1.1273 4.0377 4.1266 4.8734 4.9991 5.4803 5.5954 5.9800 6.0429 6.4583 6.4701 6.7951 6.9188 7.2372 7.4694 7.8503 7.9524 8.1148 8.3789 11.9499 11.9848 12.9401 12.9525 13.8177 13.8223 13.9398 13.9626 k = 0.4474 0.2795 0.7983 ( 3025 PWs) bands (ev): -25.3052 -25.3052 -8.2022 -8.1989 -7.0865 -7.0849 -7.0801 -7.0767 0.2010 0.2232 1.0441 1.0574 1.1385 1.1400 4.0741 4.1716 4.8585 4.9937 5.4673 5.5958 5.9570 6.0312 6.4413 6.4557 6.8073 6.9263 7.2222 7.4778 7.8676 7.9817 8.1449 8.4203 11.9804 12.0166 12.9028 12.9156 13.7526 13.7636 13.9326 13.9788 k = 0.4605 0.2877 0.7886 ( 3026 PWs) bands (ev): -25.3052 -25.3052 -8.2021 -8.1986 -7.0868 -7.0848 -7.0796 -7.0764 0.1676 0.1906 1.0549 1.0690 1.1513 1.1532 4.1095 4.2159 4.8454 4.9898 5.4550 5.5960 5.9345 6.0177 6.4265 6.4410 6.8195 6.9326 7.2099 7.4875 7.8873 8.0116 8.1767 8.4620 12.0026 12.0401 12.8637 12.8767 13.6884 13.7027 13.9113 13.9701 k = 0.4737 0.2959 0.7789 ( 3026 PWs) bands (ev): -25.3053 -25.3053 -8.2021 -8.1983 -7.0871 -7.0846 -7.0790 -7.0761 0.1338 0.1572 1.0656 1.0805 1.1648 1.1673 4.1431 4.2585 4.8344 4.9878 5.4438 5.5960 5.9133 6.0025 6.4140 6.4261 6.8316 6.9379 7.2004 7.4972 7.9101 8.0420 8.2102 8.5041 12.0155 12.0544 12.8224 12.8353 13.6265 13.6428 13.8793 13.9407 k = 0.4868 0.3041 0.7692 ( 3026 PWs) bands (ev): -25.3053 -25.3053 -8.2020 -8.1981 -7.0875 -7.0844 -7.0784 -7.0757 0.0993 0.1231 1.0762 1.0920 1.1794 1.1824 4.1744 4.2987 4.8262 4.9880 5.4337 5.5955 5.8941 5.9859 6.4039 6.4113 6.8430 6.9426 7.1938 7.5060 7.9361 8.0726 8.2455 8.5465 12.0185 12.0590 12.7784 12.7907 13.5680 13.5856 13.8421 13.9013 k = 0.5000 0.3124 0.7595 ( 3026 PWs) bands (ev): -25.3054 -25.3054 -8.2019 -8.1978 -7.0879 -7.0841 -7.0777 -7.0754 0.0642 0.0882 1.0866 1.1034 1.1951 1.1986 4.2028 4.3355 4.8214 4.9907 5.4249 5.5942 5.8776 5.9682 6.3961 6.3967 6.8536 6.9468 7.1903 7.5129 7.9654 8.1032 8.2829 8.5894 12.0117 12.0541 12.7311 12.7426 13.5139 13.5319 13.8036 13.8588 k = 0.5000 0.3124 0.7595 ( 3026 PWs) bands (ev): -25.3054 -25.3054 -8.2019 -8.1978 -7.0879 -7.0841 -7.0777 -7.0754 0.0642 0.0882 1.0866 1.1034 1.1951 1.1986 4.2028 4.3355 4.8214 4.9907 5.4249 5.5942 5.8776 5.9682 6.3961 6.3967 6.8536 6.9468 7.1903 7.5129 7.9654 8.1032 8.2829 8.5894 12.0117 12.0541 12.7311 12.7426 13.5139 13.5319 13.8036 13.8588 k = 0.5000 0.3124 0.7406 ( 3028 PWs) bands (ev): -25.3055 -25.3055 -8.2016 -8.1972 -7.0888 -7.0838 -7.0762 -7.0745 -0.0056 0.0187 1.1075 1.1260 1.2269 1.2316 4.2560 4.4044 4.8159 4.9981 5.4093 5.5897 5.8488 5.9309 6.3689 6.3867 6.8733 6.9538 7.1889 7.5274 8.0276 8.1649 8.3604 8.6748 11.9885 12.0346 12.6263 12.6352 13.4184 13.4366 13.7248 13.7717 k = 0.5000 0.3124 0.7216 ( 3018 PWs) bands (ev): -25.3056 -25.3056 -8.2013 -8.1966 -7.0898 -7.0836 -7.0745 -7.0734 -0.0758 -0.0514 1.1295 1.1497 1.2584 1.2642 4.3097 4.4739 4.8109 5.0043 5.3940 5.5838 5.8214 5.8910 6.3420 6.3834 6.8926 6.9591 7.1939 7.5488 8.0934 8.2303 8.4418 8.7621 11.9640 12.0139 12.5048 12.5100 13.3348 13.3526 13.6401 13.6803 k = 0.5000 0.3124 0.7026 ( 3018 PWs) bands (ev): -25.3058 -25.3058 -8.2010 -8.1959 -7.0907 -7.0835 -7.0727 -7.0722 -0.1461 -0.1217 1.1528 1.1748 1.2892 1.2961 4.3631 4.5425 4.8065 5.0090 5.3794 5.5768 5.7962 5.8502 6.3163 6.3852 6.9102 6.9628 7.2072 7.5779 8.1625 8.2993 8.5266 8.8510 11.9383 11.9923 12.3692 12.3697 13.2615 13.2792 13.5514 13.5866 k = 0.5000 0.3124 0.6836 ( 3018 PWs) bands (ev): -25.3059 -25.3059 -8.2006 -8.1952 -7.0917 -7.0835 -7.0708 -7.0707 -0.2161 -0.1918 1.1777 1.2013 1.3192 1.3270 4.4153 4.6087 4.8028 5.0121 5.3653 5.5693 5.7738 5.8100 6.2919 6.3912 6.9247 6.9650 7.2311 7.6149 8.2347 8.3715 8.6144 8.9415 11.9104 11.9698 12.2175 12.2234 13.1963 13.2140 13.4600 13.4921 k = 0.5000 0.3124 0.6646 ( 3018 PWs) bands (ev): -25.3060 -25.3060 -8.2002 -8.1945 -7.0927 -7.0837 -7.0690 -7.0687 -0.2856 -0.2617 1.2040 1.2293 1.3481 1.3567 4.4655 4.6707 4.7998 5.0135 5.3517 5.5627 5.7544 5.7718 6.2689 6.4004 6.9350 6.9659 7.2676 7.6604 8.3098 8.4468 8.7049 9.0334 11.8769 11.9458 12.0575 12.0743 13.1364 13.1547 13.3675 13.3983 k = 0.5000 0.3124 0.6456 ( 3022 PWs) bands (ev): -25.3062 -25.3062 -8.1998 -8.1938 -7.0937 -7.0840 -7.0671 -7.0665 -0.3545 -0.3309 1.2319 1.2588 1.3758 1.3850 4.5130 4.7266 4.7980 5.0134 5.3385 5.5585 5.7365 5.7379 6.2474 6.4121 6.9408 6.9655 7.3174 7.7146 8.3879 8.5250 8.7976 9.1264 11.8181 11.8820 11.9309 11.9443 13.0793 13.0986 13.2756 13.3067 k = 0.5000 0.3124 0.6266 ( 3026 PWs) bands (ev): -25.3064 -25.3063 -8.1992 -8.1931 -7.0947 -7.0843 -7.0650 -7.0642 -0.4224 -0.3994 1.2614 1.2899 1.4021 1.4117 4.5573 4.7722 4.7998 5.0120 5.3254 5.5584 5.7050 5.7240 6.2274 6.4256 6.9426 6.9641 7.3807 7.7776 8.4687 8.6059 8.8925 9.2204 11.6927 11.7148 11.8770 11.9033 13.0222 13.0420 13.1868 13.2190 k = 0.5000 0.3124 0.6076 ( 3038 PWs) bands (ev): -25.3065 -25.3065 -8.1987 -8.1924 -7.0956 -7.0848 -7.0628 -7.0618 -0.4893 -0.4668 1.2923 1.3224 1.4267 1.4367 4.5979 4.7888 4.8229 5.0100 5.3120 5.5640 5.6780 5.7124 6.2090 6.4405 6.9412 6.9619 7.4570 7.8496 8.5522 8.6893 8.9891 9.3152 11.5321 11.5414 11.8426 11.8797 12.9621 12.9798 13.1059 13.1377 k = 0.5000 0.3124 0.5886 ( 3042 PWs) bands (ev): -25.3067 -25.3067 -8.1981 -8.1916 -7.0966 -7.0853 -7.0604 -7.0593 -0.5550 -0.5331 1.3246 1.3563 1.4496 1.4598 4.6343 4.7902 4.8528 5.0084 5.2983 5.5761 5.6556 5.7028 6.1921 6.4562 6.9376 6.9591 7.5455 7.9307 8.6382 8.7751 9.0874 9.4105 11.3631 11.3664 11.8161 11.8567 12.8961 12.9063 13.0382 13.0656 k = 0.5000 0.3124 0.5697 ( 3040 PWs) bands (ev): -25.3069 -25.3069 -8.1975 -8.1909 -7.0976 -7.0858 -7.0580 -7.0568 -0.6193 -0.5981 1.3583 1.3915 1.4705 1.4808 4.6659 4.7907 4.8755 5.0083 5.2842 5.5945 5.6377 5.6952 6.1770 6.4725 6.9323 6.9558 7.6455 8.0208 8.7267 8.8631 9.1870 9.5061 11.1911 11.1914 11.7928 11.8341 12.8213 12.8228 12.9836 13.0036 k = 0.5000 0.3124 0.5507 ( 3044 PWs) bands (ev): -25.3071 -25.3070 -8.1968 -8.1901 -7.0985 -7.0864 -7.0553 -7.0541 -0.6822 -0.6617 1.3933 1.4279 1.4893 1.4997 4.6921 4.7915 4.8910 5.0110 5.2702 5.6171 5.6240 5.6908 6.1636 6.4893 6.9260 6.9521 7.7563 8.1197 8.8174 8.9529 9.2876 9.6015 11.0164 11.0191 11.7715 11.8122 12.7291 12.7437 12.9378 12.9505 k = 0.5000 0.3124 0.5317 ( 3044 PWs) bands (ev): -25.3072 -25.3072 -8.1962 -8.1893 -7.0995 -7.0871 -7.0526 -7.0513 -0.7434 -0.7237 1.4295 1.4652 1.5059 1.5164 4.7123 4.7925 4.9007 5.0174 5.2568 5.6140 5.6380 5.6941 6.1519 6.5063 6.9192 6.9483 7.8769 8.2271 8.9104 9.0444 9.3889 9.6963 10.8433 10.8473 11.7521 11.7911 12.6334 12.6612 12.8972 12.9039 k = 0.5000 0.3124 0.5127 ( 3044 PWs) bands (ev): -25.3074 -25.3074 -8.1955 -8.1885 -7.1004 -7.0878 -7.0498 -7.0485 -0.8030 -0.7840 1.4667 1.5022 1.5201 1.5320 4.7265 4.7937 4.9066 5.0281 5.2450 5.6069 5.6470 5.7136 6.1422 6.5234 6.9120 6.9444 8.0067 8.3426 9.0055 9.1371 9.4905 9.7899 10.6725 10.6767 11.7346 11.7709 12.5362 12.5776 12.8600 12.8620 k = 0.5000 0.3124 0.4937 ( 3040 PWs) bands (ev): -25.3076 -25.3076 -8.1947 -8.1878 -7.1012 -7.0885 -7.0469 -7.0456 -0.8607 -0.8425 1.5041 1.5312 1.5327 1.5540 4.7350 4.7948 4.9106 5.0424 5.2364 5.6021 5.6458 5.7463 6.1345 6.5407 6.9050 6.9405 8.1449 8.4658 9.1024 9.2301 9.5920 9.8813 10.5053 10.5082 11.7189 11.7517 12.4386 12.4945 12.8234 12.8253 k = 0.5000 0.3124 0.4747 ( 3040 PWs) bands (ev): -25.3078 -25.3078 -8.1940 -8.1870 -7.1021 -7.0892 -7.0440 -7.0427 -0.9166 -0.8993 1.5335 1.5439 1.5516 1.5905 4.7386 4.7953 4.9144 5.0580 5.2333 5.5990 5.6409 5.7845 6.1291 6.5581 6.8982 6.9369 8.2905 8.5957 9.2010 9.3223 9.6928 9.9692 10.3422 10.3438 11.7052 11.7338 12.3416 12.4133 12.7876 12.7929 k = 0.5000 0.3124 0.4557 ( 3036 PWs) bands (ev): -25.3080 -25.3080 -8.1932 -8.1863 -7.1028 -7.0900 -7.0409 -7.0397 -0.9706 -0.9541 1.5432 1.5503 1.5885 1.6313 4.7386 4.7951 4.9194 5.0718 5.2387 5.5972 5.6345 5.8246 6.1263 6.5755 6.8919 6.9335 8.4429 8.7317 9.3008 9.4107 9.7921 10.0483 10.1797 10.1953 11.6936 11.7173 12.2462 12.3352 12.7542 12.7625 k = 0.5000 0.3124 0.4367 ( 3040 PWs) bands (ev): -25.3082 -25.3082 -8.1924 -8.1855 -7.1036 -7.0908 -7.0379 -7.0367 -1.0226 -1.0069 1.5473 1.5534 1.6292 1.6736 4.7360 4.7937 4.9266 5.0804 5.2554 5.5962 5.6275 5.8650 6.1267 6.5929 6.8865 6.9304 8.6012 8.8725 9.4008 9.4876 9.8891 10.0222 10.0330 10.1517 11.6839 11.7024 12.1536 12.2615 12.7232 12.7341 k = 0.5000 0.3124 0.4178 ( 3036 PWs) bands (ev): -25.3084 -25.3084 -8.1916 -8.1848 -7.1043 -7.0916 -7.0348 -7.0336 -1.0726 -1.0577 1.5483 1.5536 1.6709 1.7165 4.7318 4.7913 4.9364 5.0833 5.2838 5.5957 5.6199 5.9045 6.1313 6.6101 6.8822 6.9278 8.7646 9.0165 9.4973 9.5314 9.8734 9.9395 9.9833 10.2168 11.6761 11.6893 12.0657 12.1937 12.6945 12.7077 k = 0.5000 0.3124 0.3988 ( 3036 PWs) bands (ev): -25.3086 -25.3085 -8.1908 -8.1841 -7.1050 -7.0924 -7.0317 -7.0306 -1.1204 -1.1064 1.5467 1.5513 1.7133 1.7600 4.7267 4.7880 4.9489 5.0818 5.3218 5.5956 5.6119 5.9413 6.1416 6.6271 6.8793 6.9257 8.9322 9.1608 9.5027 9.5677 9.7590 9.9162 10.0722 10.2796 11.6693 11.6784 11.9850 12.1337 12.6681 12.6834 k = 0.5000 0.3124 0.3798 ( 3032 PWs) bands (ev): -25.3088 -25.3087 -8.1900 -8.1834 -7.1056 -7.0933 -7.0285 -7.0275 -1.1662 -1.1530 1.5427 1.5466 1.7562 1.8038 4.7211 4.7839 4.9639 5.0781 5.3672 5.5959 5.6034 5.9738 6.1593 6.6436 6.8782 6.9242 9.1030 9.2951 9.4050 9.5247 9.7741 9.9653 10.1552 10.3326 11.6621 11.6701 11.9154 12.0832 12.6442 12.6612 k = 0.5000 0.3124 0.3608 ( 3028 PWs) bands (ev): -25.3089 -25.3089 -8.1892 -8.1828 -7.1061 -7.0941 -7.0254 -7.0245 -1.2098 -1.1974 1.5365 1.5397 1.7993 1.8477 4.7153 4.7793 4.9811 5.0736 5.4176 5.5944 5.5966 6.0005 6.1861 6.6595 6.8793 6.9234 9.2600 9.2945 9.3292 9.5062 9.8691 10.0463 10.2310 10.3737 11.6518 11.6650 11.8627 12.0440 12.6227 12.6411 k = 0.5000 0.3124 0.3418 ( 3024 PWs) bands (ev): -25.3091 -25.3091 -8.1883 -8.1821 -7.1066 -7.0949 -7.0224 -7.0215 -1.2513 -1.2397 1.5285 1.5310 1.8424 1.8914 4.7096 4.7743 5.0001 5.0692 5.4707 5.5850 5.5990 6.0214 6.2221 6.6745 6.8831 6.9233 9.1397 9.2155 9.4542 9.6200 9.9806 10.1360 10.2988 10.4033 11.6359 11.6640 11.8322 12.0171 12.6037 12.6232 k = 0.5000 0.3124 0.3228 ( 3020 PWs) bands (ev): -25.3093 -25.3093 -8.1875 -8.1816 -7.1071 -7.0957 -7.0194 -7.0186 -1.2906 -1.2798 1.5188 1.5207 1.8854 1.9348 4.7041 4.7691 5.0206 5.0656 5.5214 5.5749 5.6071 6.0378 6.2662 6.6884 6.8900 6.9239 9.0027 9.0832 9.6299 9.7399 10.1006 10.2189 10.3594 10.4289 11.6167 11.6676 11.8251 12.0032 12.5874 12.6074 k = 0.5000 0.3124 0.3038 ( 3024 PWs) bands (ev): -25.3095 -25.3094 -8.1868 -8.1810 -7.1075 -7.0965 -7.0164 -7.0157 -1.3276 -1.3176 1.5077 1.5091 1.9281 1.9776 4.6988 4.7638 5.0421 5.0630 5.5549 5.5642 5.6347 6.0517 6.3167 6.7009 6.9003 6.9254 8.8667 8.9508 9.8052 9.8408 10.2286 10.2696 10.4168 10.4730 11.6010 11.6762 11.8369 12.0019 12.5736 12.5938 k = 0.5000 0.3124 0.2848 ( 3024 PWs) bands (ev): -25.3096 -25.3096 -8.1860 -8.1805 -7.1079 -7.0974 -7.0135 -7.0129 -1.3625 -1.3532 1.4955 1.4964 1.9702 2.0196 4.6939 4.7584 5.0617 5.0643 5.5529 5.5653 5.6871 6.0643 6.3721 6.7122 6.9144 6.9277 8.7336 8.8214 9.9112 9.9783 10.2705 10.3633 10.4786 10.5533 11.5946 11.6898 11.8632 12.0118 12.5623 12.5821 k = 0.5000 0.3124 0.2658 ( 3020 PWs) bands (ev): -25.3098 -25.3097 -8.1852 -8.1800 -7.1081 -7.0981 -7.0107 -7.0102 -1.3951 -1.3865 1.4825 1.4830 2.0116 2.0605 4.6893 4.7529 5.0619 5.0867 5.5409 5.5661 5.7497 6.0767 6.4315 6.7224 6.9309 6.9322 8.6040 8.6960 9.9448 10.1428 10.2414 10.4976 10.5565 10.6565 11.5994 11.7080 11.9011 12.0312 12.5534 12.5722 k = 0.5000 0.3124 0.2469 ( 3022 PWs) bands (ev): -25.3099 -25.3099 -8.1845 -8.1796 -7.1084 -7.0989 -7.0080 -7.0076 -1.4254 -1.4176 1.4690 1.4692 2.0520 2.1001 4.6852 4.7474 5.0635 5.1092 5.5282 5.5634 5.8157 6.0895 6.4940 6.7319 6.9351 6.9538 8.4787 8.5751 9.9427 10.1692 10.3254 10.6099 10.6718 10.7698 11.6149 11.7302 11.9488 12.0579 12.5463 12.5634 k = 0.5000 0.3124 0.2279 ( 3030 PWs) bands (ev): -25.3101 -25.3100 -8.1838 -8.1792 -7.1086 -7.0997 -7.0055 -7.0051 -1.4535 -1.4464 1.4551 1.4553 2.0911 2.1380 4.6815 4.7419 5.0668 5.1312 5.5150 5.5590 5.8824 6.1029 6.5591 6.7414 6.9401 6.9787 8.3580 8.4592 9.9118 10.1029 10.4833 10.7084 10.8105 10.8879 11.6394 11.7561 12.0049 12.0897 12.5406 12.5553 k = 0.5000 0.3124 0.2089 ( 3030 PWs) bands (ev): -25.3102 -25.3102 -8.1831 -8.1788 -7.1087 -7.1004 -7.0031 -7.0028 -1.4793 -1.4729 1.4412 1.4416 2.1287 2.1740 4.6783 4.7363 5.0716 5.1526 5.5012 5.5533 5.9480 6.1173 6.6260 6.7514 6.9461 7.0070 8.2424 8.3486 9.8603 10.0250 10.6369 10.8094 10.9500 11.0081 11.6708 11.7850 12.0676 12.1251 12.5353 12.5466 k = 0.5000 0.3124 0.1899 ( 3036 PWs) bands (ev): -25.3103 -25.3103 -8.1825 -8.1785 -7.1088 -7.1012 -7.0008 -7.0006 -1.5029 -1.4971 1.4277 1.4282 2.1646 2.2078 4.6756 4.7307 5.0781 5.1730 5.4871 5.5465 6.0113 6.1325 6.6940 6.7627 6.9530 7.0382 8.1322 8.2435 9.7956 9.9410 10.7834 10.9133 11.0841 11.1283 11.7075 11.8164 12.1350 12.1632 12.5290 12.5360 k = 0.5000 0.3124 0.1709 ( 3034 PWs) bands (ev): -25.3104 -25.3104 -8.1818 -8.1782 -7.1088 -7.1019 -6.9987 -6.9985 -1.5242 -1.5191 1.4147 1.4153 2.1984 2.2392 4.6734 4.7252 5.0861 5.1920 5.4731 5.5388 6.0706 6.1487 6.7624 6.7759 6.9607 7.0721 8.0278 8.1441 9.7231 9.8537 10.9222 11.0184 11.2101 11.2459 11.7481 11.8487 12.2040 12.2050 12.5197 12.5213 k = 0.5000 0.3124 0.1519 ( 3032 PWs) bands (ev): -25.3105 -25.3105 -8.1813 -8.1780 -7.1088 -7.1025 -6.9968 -6.9967 -1.5433 -1.5388 1.4025 1.4032 2.2300 2.2677 4.6719 4.7196 5.0957 5.2092 5.4594 5.5302 6.1246 6.1656 6.7916 6.8300 6.9693 7.1083 7.9297 8.0508 9.6474 9.7657 11.0532 11.1233 11.3266 11.3586 11.7910 11.8801 12.2477 12.2744 12.5003 12.5047 k = 0.5000 0.3124 0.1329 ( 3036 PWs) bands (ev): -25.3106 -25.3106 -8.1807 -8.1779 -7.1087 -7.1032 -6.9951 -6.9950 -1.5601 -1.5561 1.3913 1.3920 2.2589 2.2933 4.6709 4.7141 5.1067 5.2238 5.4467 5.5209 6.1719 6.1831 6.8104 6.8958 6.9785 7.1463 7.8383 7.9638 9.5720 9.6790 11.1766 11.2265 11.4333 11.4644 11.8346 11.9084 12.2941 12.3394 12.4711 12.4816 k = 0.5000 0.3124 0.1139 ( 3042 PWs) bands (ev): -25.3107 -25.3107 -8.1802 -8.1777 -7.1086 -7.1038 -6.9936 -6.9935 -1.5746 -1.5712 1.3812 1.3819 2.2851 2.3156 4.6706 4.7088 5.1190 5.2352 5.4359 5.5109 6.2009 6.2115 6.8323 6.9570 6.9897 7.1852 7.7543 7.8833 9.5002 9.5959 11.2926 11.3263 11.5309 11.5623 11.8771 11.9314 12.3414 12.3929 12.4341 12.4486 k = 0.5000 0.3124 0.0949 ( 3038 PWs) bands (ev): -25.3107 -25.3107 -8.1798 -8.1777 -7.1084 -7.1044 -6.9923 -6.9922 -1.5868 -1.5841 1.3725 1.3731 2.3082 2.3343 4.6709 4.7035 5.1326 5.2424 5.4280 5.5003 6.2186 6.2428 6.8570 6.9895 7.0255 7.2234 7.6787 7.8096 9.4350 9.5185 11.4005 11.4209 11.6212 11.6522 11.9164 11.9480 12.3815 12.3840 12.4067 12.4368 k = 0.5000 0.3124 0.0760 ( 3046 PWs) bands (ev): -25.3108 -25.3108 -8.1793 -8.1777 -7.1082 -7.1050 -6.9912 -6.9912 -1.5968 -1.5946 1.3652 1.3658 2.3280 2.3494 4.6718 4.6985 5.1472 5.2447 5.4240 5.4893 6.2357 6.2657 6.8837 6.9977 7.0797 7.2585 7.6137 7.7429 9.3789 9.4488 11.4992 11.5077 11.7062 11.7346 11.9502 11.9582 12.3279 12.3519 12.4204 12.4515 k = 0.5000 0.3124 0.0570 ( 3052 PWs) bands (ev): -25.3108 -25.3108 -8.1790 -8.1777 -7.1079 -7.1055 -6.9904 -6.9904 -1.6045 -1.6028 1.3594 1.3599 2.3443 2.3607 4.6734 4.6937 5.1625 5.2417 5.4242 5.4780 6.2516 6.2805 6.9110 7.0012 7.1312 7.2859 7.5631 7.6834 9.3346 9.3892 11.5839 11.5858 11.7874 11.8100 11.9638 11.9758 12.2691 12.2930 12.4369 12.4454 k = 0.5000 0.3124 0.0380 ( 3058 PWs) bands (ev): -25.3109 -25.3109 -8.1786 -8.1778 -7.1076 -7.1060 -6.9898 -6.9898 -1.6099 -1.6088 1.3553 1.3556 2.3569 2.3680 4.6755 4.6893 5.1783 5.2341 5.4284 5.4666 6.2658 6.2882 6.9374 6.9999 7.1787 7.2977 7.5339 7.6313 9.3041 9.3418 11.6460 11.6550 11.8643 11.8778 11.9679 11.9902 12.2098 12.2303 12.4292 12.4356 k = 0.5000 0.3124 0.0190 ( 3058 PWs) bands (ev): -25.3109 -25.3109 -8.1784 -8.1779 -7.1073 -7.1065 -6.9894 -6.9894 -1.6130 -1.6125 1.3528 1.3530 2.3656 2.3712 4.6782 4.6851 5.1940 5.2228 5.4356 5.4554 6.2774 6.2895 6.9608 6.9929 7.2221 7.2879 7.5316 7.5870 9.2892 9.3084 11.6899 11.6986 11.9312 11.9341 11.9747 11.9906 12.1582 12.1712 12.4167 12.4245 k = 0.5000 0.3124 0.0000 ( 3060 PWs) bands (ev): -25.3109 -25.3109 -8.1781 -8.1781 -7.1069 -7.1069 -6.9893 -6.9893 -1.6139 -1.6139 1.3520 1.3520 2.3704 2.3704 4.6814 4.6814 5.2091 5.2091 5.4449 5.4449 6.2856 6.2856 6.9798 6.9798 7.2599 7.2599 7.5521 7.5521 9.2906 9.2906 11.7096 11.7096 11.9642 11.9642 11.9808 11.9808 12.1378 12.1378 12.4154 12.4154 k = 0.0000 0.0000 0.9437 ( 3020 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0879 -7.0879 -7.0788 -7.0788 0.5860 0.5860 0.8544 0.8544 1.0281 1.0281 3.9174 3.9174 4.8996 4.8996 5.5589 5.5589 6.0793 6.0793 6.6555 6.6555 6.7578 6.7578 7.3846 7.3846 7.7457 7.7457 7.9531 7.9531 12.1453 12.1453 13.0957 13.0957 13.9840 13.9840 14.2231 14.2231 k = 0.0156 0.0098 0.9437 ( 3022 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0879 -7.0879 -7.0788 -7.0788 0.5862 0.5862 0.8547 0.8547 1.0278 1.0278 3.9152 3.9152 4.9015 4.9015 5.5594 5.5594 6.0796 6.0796 6.6555 6.6555 6.7572 6.7572 7.3864 7.3864 7.7456 7.7456 7.9527 7.9527 12.1361 12.1361 13.0973 13.0973 13.9928 13.9928 14.2166 14.2166 k = 0.0312 0.0195 0.9437 ( 3018 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0879 -7.0879 -7.0788 -7.0788 0.5867 0.5867 0.8554 0.8554 1.0270 1.0270 3.9087 3.9087 4.9073 4.9073 5.5607 5.5607 6.0804 6.0804 6.6554 6.6554 6.7555 6.7555 7.3915 7.3915 7.7453 7.7453 7.9516 7.9516 12.1095 12.1095 13.1019 13.1019 14.0182 14.0182 14.1978 14.1978 k = 0.0469 0.0293 0.9437 ( 3016 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0878 -7.0878 -7.0789 -7.0789 0.5875 0.5875 0.8567 0.8567 1.0256 1.0256 3.8984 3.8984 4.9164 4.9164 5.5629 5.5629 6.0818 6.0818 6.6551 6.6551 6.7529 6.7529 7.4000 7.4000 7.7448 7.7448 7.9498 7.9498 12.0678 12.0678 13.1093 13.1093 14.0558 14.0558 14.1696 14.1696 k = 0.0625 0.0390 0.9437 ( 3016 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0877 -7.0877 -7.0790 -7.0790 0.5886 0.5886 0.8585 0.8585 1.0237 1.0237 3.8848 3.8848 4.9283 4.9283 5.5659 5.5659 6.0836 6.0836 6.6543 6.6543 6.7500 6.7500 7.4115 7.4115 7.7440 7.7440 7.9472 7.9472 12.0145 12.0145 13.1193 13.1193 14.0878 14.0878 14.1486 14.1486 k = 0.0781 0.0488 0.9437 ( 3016 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0875 -7.0875 -7.0792 -7.0792 0.5899 0.5899 0.8607 0.8607 1.0214 1.0214 3.8687 3.8687 4.9422 4.9422 5.5697 5.5697 6.0859 6.0859 6.6526 6.6526 6.7473 6.7473 7.4257 7.4257 7.7429 7.7429 7.9439 7.9439 11.9532 11.9532 13.1315 13.1315 14.0627 14.0627 14.1841 14.1841 k = 0.0938 0.0586 0.9437 ( 3014 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0873 -7.0873 -7.0794 -7.0794 0.5914 0.5914 0.8633 0.8633 1.0186 1.0186 3.8510 3.8510 4.9574 4.9574 5.5739 5.5739 6.0886 6.0886 6.6497 6.6497 6.7453 6.7453 7.4423 7.4423 7.7413 7.7413 7.9400 7.9400 11.8873 11.8873 13.1461 13.1461 14.0126 14.0126 14.2419 14.2419 k = 0.1094 0.0683 0.9437 ( 3024 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0871 -7.0871 -7.0796 -7.0796 0.5931 0.5931 0.8662 0.8662 1.0155 1.0155 3.8323 3.8323 4.9732 4.9732 5.5787 5.5787 6.0916 6.0916 6.6456 6.6456 6.7445 6.7445 7.4608 7.4608 7.7392 7.7392 7.9355 7.9355 11.8197 11.8197 13.1630 13.1630 13.9566 13.9566 14.3010 14.3010 k = 0.1250 0.0781 0.9437 ( 3032 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0869 -7.0869 -7.0798 -7.0798 0.5948 0.5948 0.8693 0.8693 1.0122 1.0122 3.8135 3.8135 4.9887 4.9887 5.5836 5.5836 6.0949 6.0949 6.6402 6.6402 6.7448 6.7448 7.4808 7.4808 7.7364 7.7364 7.9304 7.9304 11.7532 11.7532 13.1823 13.1823 13.8979 13.8979 14.3539 14.3539 k = 0.1406 0.0879 0.9437 ( 3032 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0867 -7.0867 -7.0801 -7.0801 0.5965 0.5965 0.8727 0.8727 1.0087 1.0087 3.7953 3.7953 5.0036 5.0036 5.5887 5.5887 6.0983 6.0983 6.6340 6.6340 6.7463 6.7463 7.5020 7.5020 7.7327 7.7327 7.9250 7.9250 11.6897 11.6897 13.2041 13.2041 13.8384 13.8384 14.3765 14.3765 k = 0.1562 0.0976 0.9437 ( 3028 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0864 -7.0864 -7.0804 -7.0804 0.5981 0.5981 0.8760 0.8760 1.0052 1.0052 3.7783 3.7783 5.0172 5.0172 5.5936 5.5936 6.1016 6.1016 6.6273 6.6273 6.7486 6.7486 7.5238 7.5238 7.7279 7.7279 7.9195 7.9195 11.6313 11.6313 13.2285 13.2285 13.7793 13.7793 14.3776 14.3776 k = 0.1719 0.1074 0.9437 ( 3032 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0861 -7.0861 -7.0807 -7.0807 0.5997 0.5997 0.8792 0.8792 1.0018 1.0018 3.7630 3.7630 5.0292 5.0292 5.5982 5.5982 6.1048 6.1048 6.6208 6.6208 6.7513 6.7513 7.5457 7.5457 7.7219 7.7219 7.9140 7.9140 11.5794 11.5794 13.2555 13.2555 13.7215 13.7215 14.3767 14.3767 k = 0.1875 0.1171 0.9437 ( 3036 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0858 -7.0858 -7.0810 -7.0810 0.6010 0.6010 0.8822 0.8822 0.9986 0.9986 3.7499 3.7499 5.0393 5.0393 5.6023 5.6023 6.1078 6.1078 6.6147 6.6147 6.7540 6.7540 7.5673 7.5673 7.7146 7.7146 7.9089 7.9089 11.5352 11.5352 13.2849 13.2849 13.6658 13.6658 14.3755 14.3755 k = 0.2031 0.1269 0.9437 ( 3040 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0855 -7.0855 -7.0812 -7.0812 0.6021 0.6021 0.8848 0.8848 0.9960 0.9960 3.7394 3.7394 5.0473 5.0473 5.6057 5.6057 6.1102 6.1102 6.6095 6.6095 6.7565 6.7565 7.5878 7.5878 7.7060 7.7060 7.9045 7.9045 11.4997 11.4997 13.3165 13.3165 13.6133 13.6133 14.3744 14.3744 k = 0.2188 0.1367 0.9437 ( 3042 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0853 -7.0853 -7.0815 -7.0815 0.6029 0.6029 0.8867 0.8867 0.9939 0.9939 3.7317 3.7317 5.0531 5.0531 5.6082 5.6082 6.1121 6.1121 6.6056 6.6056 6.7585 6.7585 7.6060 7.6060 7.6967 7.6967 7.9011 7.9011 11.4739 11.4739 13.3491 13.3491 13.5655 13.5655 14.3736 14.3736 k = 0.2344 0.1464 0.9437 ( 3040 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0850 -7.0850 -7.0818 -7.0818 0.6034 0.6034 0.8879 0.8879 0.9927 0.9927 3.7270 3.7270 5.0566 5.0566 5.6098 5.6098 6.1133 6.1133 6.6032 6.6032 6.7598 6.7598 7.6198 7.6198 7.6885 7.6885 7.8988 7.8988 11.4581 11.4581 13.3790 13.3790 13.5264 13.5264 14.3731 14.3731 k = 0.2500 0.1562 0.9437 ( 3044 PWs) bands (ev): -25.3049 -25.3049 -8.2018 -8.2018 -7.0848 -7.0848 -7.0820 -7.0820 0.6035 0.6035 0.8883 0.8883 0.9923 0.9923 3.7255 3.7255 5.0577 5.0577 5.6104 5.6104 6.1137 6.1137 6.6023 6.6023 6.7603 6.7603 7.6251 7.6251 7.6852 7.6852 7.8980 7.8980 11.4529 11.4529 13.3940 13.3940 13.5082 13.5082 14.3730 14.3730 Writing output data file SrGe3Pt.save init_run : 3.17s CPU 13.41s WALL ( 1 calls) electrons : 509.84s CPU 516.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 509.82s CPU 515.88s WALL ( 1 calls) v_of_rho : 0.39s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.37s CPU 0.62s WALL ( 1 calls) newd : 0.34s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.19s WALL ( 330 calls) cegterg : 481.92s CPU 485.62s WALL ( 862 calls) Called by sum_band: Called by *egterg: h_psi : 245.74s CPU 254.20s WALL ( 15084 calls) s_psi : 18.04s CPU 18.78s WALL ( 15084 calls) g_psi : 0.41s CPU 0.46s WALL ( 13892 calls) cdiaghg : 164.79s CPU 161.70s WALL ( 14222 calls) cegterg:over : 36.25s CPU 32.75s WALL ( 13892 calls) cegterg:upda : 4.51s CPU 7.96s WALL ( 13892 calls) cegterg:last : 4.44s CPU 5.38s WALL ( 2289 calls) Called by h_psi: h_psi:vloc : 206.36s CPU 214.03s WALL ( 15084 calls) h_psi:vnl : 39.20s CPU 39.65s WALL ( 15084 calls) add_vuspsi : 10.65s CPU 14.44s WALL ( 15084 calls) General routines calbec : 28.50s CPU 25.08s WALL ( 15084 calls) fft : 0.34s CPU 1.50s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 190.04s CPU 194.81s WALL ( 1141536 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 0.83s WALL ( 660 calls) Parallel routines fft_scatter : 124.76s CPU 126.76s WALL ( 1141559 calls) PWSCF : 9m12.30s CPU 10m23.65s WALL This run was terminated on: 9:32:20 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=